Additional information to Tables 1 and 2
Predicted stabilizing residues in TIM barrel proteins based on
surrounding hydrophobicity, long-range order, stabilization center
and conservation of residues.
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PDB Residue Hp LRO SC Cons B' Location
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1a0c Ser 44 25.84 0.0229 2 7 -0.81 ib
Cys 98 24.04 0.0206 3 7 -0.71 ib
Gly139 22.51 0.0252 2 7 -0.86 eb
Val185 23.16 0.0206 2 9 -0.87 ib
Leu229 20.83 0.0229 4 8 -0.88 ib
Ile230 25.99 0.0206 3 8 -0.75 eb
Asn265 24.11 0.0229 3 9 -0.85 ib
Ser293 20.24 0.0206 1 9 -0.65 ib
Asn336 21.83 0.0206 2 9 -0.72 ib
1a3x Ser 22 21.62 0.0226 3 8 0.02 ib
Ile 23 20.54 0.0226 2 9 0.07 eb
Ile 81 22.15 0.0205 2 8 0.04 eb
Leu 83 20.78 0.0205 3 7 -0.74 eb
Val239 24.29 0.0205 3 7 0.57 eb
Ile241 22.48 0.0205 1 9 -0.52 eb
Cys328 29.66 0.0226 2 9 -0.09 ib
1ad1 Met 7 23.86 0.0379 3 9 -0.68 ib
Gly 8 25.85 0.0417 1 9 -0.72 eb
Ile 44 24.57 0.0303 4 8 -0.59 eb
Asp 45 21.29 0.0379 2 9 -0.44 ib
Val 46 20.78 0.0379 1 7 -0.49 eb
Ile 81 26.85 0.0265 3 8 -0.69 eb
Ser 82 25.07 0.0341 3 9 -0.66 ib
Ile125 23.06 0.0265 3 6 -0.76 eb
Val126 27.50 0.0417 2 7 -0.86 ib
Ile164 28.70 0.0265 3 8 -0.48 eb
Trp165 25.05 0.0303 3 6 -0.50 ib
Leu166 30.75 0.0379 2 6 -0.61 eb
Pro195 23.66 0.0303 2 9 -0.90 nl
Val196 24.11 0.0265 2 7 -0.85 eb
Leu197 25.23 0.0379 3 9 -0.82 ib
Ala237 24.10 0.0303 3 7 -0.74 ib
1ado Gly 28 22.58 0.0303 2 8 -0.60 eb
Ile 29 21.98 0.0248 2 8 -0.63 ib
Gly 74 23.20 0.0275 1 8 -0.59 ib
Gly 75 20.78 0.0220 1 9 -0.67 ib
Val 76 22.82 0.0248 2 7 -0.72 eb
Ile 77 24.00 0.0303 4 9 -0.64 ib
Val104 24.57 0.0220 1 8 -0.47 eb
Gly105 22.73 0.0248 1 8 -0.63 ib
Ile106 26.29 0.0303 3 9 -0.75 eb
Phe144 25.12 0.0248 2 8 -0.71 ib
Ala145 32.18 0.0275 1 8 -0.65 eb
Lys146 27.39 0.0275 1 9 -0.37 ib
Val183 24.49 0.0248 2 9 -0.82 ib
Ile185 23.25 0.0220 2 9 -0.75 ib
Val186 24.71 0.0220 2 9 -0.69 eb
Pro188 26.31 0.0358 1 9 -0.64 eb
Thr226 25.63 0.0303 1 7 -0.95 eb
Leu227 21.33 0.0275 4 8 -0.74 ib
Lys229 23.38 0.0275 2 9 -0.83 cl
1ads Gly 16 28.22 0.0286 2 9 -0.74 ib
Leu 17 20.16 0.0317 1 7 -0.77 eb
His 41 26.27 0.0286 1 8 -0.74 ib
Ala 45 21.62 0.0222 2 9 -0.92 cl
Phe 73 22.84 0.0254 1 6 -0.65 ib
Val 75 24.64 0.0317 2 8 -0.74 ib
Ser 76 22.00 0.0286 3 8 -0.88 eb
Leu104 27.68 0.0254 1 6 -0.50 eb
Leu106 23.26 0.0286 2 8 -0.75 ib
Tyr107 22.06 0.0254 3 6 -0.71 eb
Ile109 24.67 0.0222 2 7 -0.85 eb
His110 24.27 0.0222 1 9 -0.75 cl
Ile156 28.67 0.0254 2 8 -0.67 eb
Gly157 24.64 0.0286 1 9 -0.81 ib
Ile158 20.97 0.0254 2 8 -0.74 eb
Ser159 24.05 0.0286 4 9 -0.82 ib
Asn160 20.27 0.0254 2 9 -0.80 cl
Val181 21.50 0.0317 1 7 -0.76 ib
Asn182 23.42 0.0317 3 8 -0.67 eb
Thr207 21.45 0.0254 3 7 -0.72 ib
Ala208 25.49 0.0317 3 8 -0.74 eb
Val259 29.35 0.0222 2 6 -0.82 eb
Pro261 20.02 0.0222 1 7 -0.76 eb
1aq0 Gly 2 20.48 0.0294 2 9 -0.85 ib
Val 3 24.41 0.0294 3 9 -0.95 eb
Cys 4 21.33 0.0294 2 8 -1.04 ib
Val 88 21.22 0.0261 2 8 -0.58 eb
Ala105 21.15 0.0261 1 9 -0.03 ih
Thr124 22.90 0.0327 1 7 -0.53 ib
Ala213 22.78 0.0327 2 6 -0.82 eh
Leu228 23.09 0.0261 2 6 -0.70 eb
Glu232 20.04 0.0327 2 9 -1.05 ib
Ser233 21.15 0.0229 1 8 -1.10 cl
Ala276 23.62 0.0294 2 9 -1.13 cl
Met277 24.92 0.0261 2 8 -0.85 cl
Phe278 22.59 0.0294 4 9 -0.82 cl
Gly292 25.32 0.0229 2 9 -1.01 cl
1b3o Ser 67 23.19 0.0296 2 9 -0.60 eb
Gly 89 27.01 0.0296 2 9 -0.13 eb
Cys246 26.10 0.0395 1 7 -0.36 nl
Gly247 24.71 0.0329 3 7 -0.26 ib
Ala248 27.79 0.0395 2 9 -0.39 eb
Ala249 21.32 0.0296 1 9 -0.44 ib
Val271 20.62 0.0263 2 6 -0.49 eb
Val299 24.54 0.0230 1 6 -0.34 eb
Leu321 21.96 0.0296 2 8 -1.19 eb
1b4k Leu 38 22.60 0.0276 1 6 -0.41 nl
Ile 39 23.96 0.0307 5 8 -0.57 ib
Pro 41 23.05 0.0215 1 9 -0.52 ib
Phe 43 24.79 0.0276 1 9 -0.33 ib
Val 44 30.55 0.0368 2 7 -0.34 eb
Phe 86 20.53 0.0245 1 9 -0.52 ib
Thr126 22.03 0.0307 1 6 -0.65 eb
Leu157 21.89 0.0215 1 7 -0.41 ih
Val172 22.28 0.0245 4 7 -0.70 eb
Ala173 20.69 0.0245 2 8 -0.72 ib
Met200 21.66 0.0276 3 7 -0.65 ib
Ala201 21.82 0.0307 1 8 -0.83 eb
Met258 22.32 0.0307 1 8 -0.65 ib
Val259 28.47 0.0245 3 9 -0.67 eb
Lys260 23.34 0.0245 1 9 -0.56 ib
Pro261 24.18 0.0245 3 9 -0.60 cl
Phe281 21.41 0.0276 4 6 -0.57 ib
Val282 24.69 0.0337 6 7 -0.67 eb
Tyr283 20.05 0.0245 4 9 -0.64 ib
Val285 23.81 0.0276 1 9 -0.63 cl
Ser286 21.60 0.0215 1 9 -0.44 cl
Ala318 22.18 0.0215 1 9 -0.57 nl
Ile321 22.30 0.0215 2 8 -0.53 eb
Leu322 27.27 0.0307 3 6 -0.53 ib
Thr323 29.20 0.0245 3 8 -0.56 eb
Tyr324 20.91 0.0245 1 9 -0.40 cl
1b54 Leu 15 21.25 0.0217 1 7 -0.49 ih
Ser 48 21.72 0.0217 2 9 -0.88 cl
Gly 68 23.43 0.0435 3 9 -1.19 ib
Glu 69 24.78 0.0348 3 9 -0.96 eb
Trp 88 20.88 0.0391 2 9 -0.92 eb
His 89 23.19 0.0391 3 9 -0.87 ib
Phe 90 20.31 0.0478 2 9 -0.95 eb
Ala103 20.40 0.0217 2 6 0.08 ih
Arg127 21.12 0.0217 3 8 -0.24 ih
Ile137 20.79 0.0304 2 7 -0.41 eb
Cys139 20.26 0.0435 1 8 -0.71 eb
Ile175 25.23 0.0304 2 8 -0.54 eb
Val238 25.67 0.0348 3 9 -0.97 eb
Arg239 20.42 0.0435 1 9 -1.10 ib
1b5t Ser 26 21.33 0.0291 3 9 -1.19 ib
Glu 28 21.30 0.0364 2 9 -1.15 ib
Phe 29 20.23 0.0291 1 8 -1.41 eb
Ser 57 23.56 0.0364 1 8 -0.77 ib
Val 58 25.61 0.0364 2 8 -0.66 eb
Ala 86 24.90 0.0327 2 6 -0.79 ib
His113 20.28 0.0255 4 8 -0.66 ib
Ile114 21.04 0.0291 5 9 -1.02 eb
Arg179 20.78 0.0255 2 6 0.36 ib
Thr182 23.24 0.0291 1 9 -1.19 eb
Pro209 22.71 0.0291 3 9 -1.08 eb
Gly210 29.48 0.0327 1 8 -1.09 ib
Ile211 23.70 0.0255 1 9 -1.10 eb
Phe272 22.26 0.0291 2 7 -1.44 eb
His273 26.87 0.0327 4 9 -1.22 ib
Phe274 20.22 0.0291 3 7 -1.16 eb
1bd0 Asn 20 21.27 0.0258 1 9 -0.81 eh
Ala 36 22.79 0.0515 3 8 -1.25 eb
Leu 62 20.64 0.0343 2 7 -0.84 eb
Ala 63 24.76 0.0429 4 8 -0.84 ib
Val 64 26.10 0.0343 2 9 -1.30 eb
Leu 83 22.85 0.0386 4 7 -0.93 ib
Val 84 24.24 0.0429 2 8 -1.14 eb
Leu103 20.97 0.0386 3 6 -0.93 eb
Thr104 22.51 0.0386 1 7 -0.83 ib
Ile124 25.51 0.0472 1 6 0.04 eb
His127 20.31 0.0386 4 8 -0.45 ib
Gly162 24.04 0.0343 3 8 -0.42 ib
Gly226 20.86 0.0300 1 9 -1.02 eh
1bf6 Asn 50 23.26 0.0344 3 8 -0.71 ib
Thr 81 20.47 0.0412 2 9 -0.76 eb
Ile122 22.18 0.0344 4 9 -0.78 ib
Ile123 20.75 0.0344 4 9 -0.92 eb
Val140 24.74 0.0206 1 9 -1.04 ih
Ser156 21.76 0.0309 2 8 -0.84 ib
Val206 22.33 0.0241 2 8 -0.71 eb
Met282 20.43 0.0206 1 8 -0.49 nl
1bpl Ala 39 20.65 0.0447 3 6 -0.89 ib
Val 40 25.30 0.0447 4 8 -0.98 eb
Trp 41 20.47 0.0447 3 8 -1.02 ib
Ser282 20.10 0.0348 2 6 -0.79 ib
Ala320 21.37 0.0299 2 6 0.01 nl
Val321 20.20 0.0448 3 7 -0.80 ib
Asp365 23.28 0.0249 4 6 -0.27 cl
1bqc Gly 23 21.91 0.0331 1 9 -0.89 eb
Val 24 20.23 0.0364 2 6 -0.83 eb
Ser 25 23.60 0.0331 1 8 -0.85 ib
Val 49 25.86 0.0331 2 9 -0.71 eb
Leu122 24.11 0.0298 1 8 -0.90 ib
Asn124 21.61 0.0265 1 8 -0.88 ib
Tyr130 21.28 0.0364 2 7 -0.46 cl
Val192 21.21 0.0298 3 9 -0.83 ib
Phe193 21.56 0.0298 2 8 -0.79 eb
Ser194 22.60 0.0265 2 9 -0.99 ib
Met197 20.99 0.0232 3 8 -0.68 eb
Leu221 29.33 0.0265 3 7 -0.80 eb
Ile222 27.39 0.0298 3 7 -0.78 ib
Ile223 23.68 0.0298 1 9 -0.73 eb
Glu225 23.54 0.0298 2 9 -0.78 ib
Phe226 23.23 0.0232 1 8 -0.80 eb
Gly250 26.22 0.0232 1 9 -0.89 nl
Tyr251 22.10 0.0265 2 6 -0.79 eb
Trp256 20.78 0.0298 3 9 -0.20 cl
1btm Gly 7 23.26 0.0398 2 8 -0.99 eb
Val 35 24.49 0.0279 1 6 -0.13 nl
Val 38 23.61 0.0359 3 6 -0.97 ib
Ala 41 23.69 0.0279 1 6 -0.95 eb
Gly 61 23.59 0.0398 1 6 -0.25 ib
Ala 62 26.99 0.0438 2 9 -0.47 eb
Val 90 26.27 0.0438 2 8 -0.69 eb
Ile 91 22.50 0.0398 3 8 -0.64 ib
Pro122 32.98 0.0279 3 8 -0.31 eb
Ile123 27.21 0.0319 2 8 -0.71 ib
Cys125 21.64 0.0359 1 9 -0.35 ib
Cys126 20.35 0.0438 1 7 0.05 eb
Val162 24.26 0.0319 3 7 -0.90 ib
Ile163 25.54 0.0359 2 7 -0.42 eb
Ala164 28.56 0.0398 1 9 -0.16 ib
Tyr165 22.65 0.0438 1 9 -0.39 eb
Glu166 20.16 0.0279 2 9 0.13 ib
Arg206 27.02 0.0478 1 6 -0.12 ib
Ile207 21.51 0.0398 1 9 -0.85 eb
Gln208 32.00 0.0478 3 7 -0.43 ib
Tyr209 23.54 0.0398 2 9 -0.76 eb
Gly210 22.52 0.0359 2 9 -0.54 ib
Gly211 25.08 0.0518 1 9 -0.40 cl
Gly229 29.63 0.0319 2 9 -0.02 ib
Pro230 28.82 0.0319 2 7 -0.09 eb
1byb Met 90 24.59 0.0204 1 8 -0.95 eb
Ile203 22.34 0.0204 3 7 -0.38 cl
1c0d Gly 25 22.44 0.0251 2 9 -0.07 eb
Asn 27 30.14 0.0307 4 9 -0.50 ib
Trp 28 25.59 0.0223 1 8 -0.55 cl
Asn 59 27.33 0.0307 2 9 -0.54 nl
Ile 61 22.35 0.0251 3 6 -0.65 eb
Arg 62 24.57 0.0279 2 9 -0.60 ib
Leu 63 28.17 0.0223 3 7 -0.61 eb
Pro 64 20.68 0.0279 3 9 -0.90 ib
Tyr 65 20.80 0.0279 1 7 -0.30 eb
Ser 66 21.04 0.0251 1 8 -0.51 eb
Leu109 24.70 0.0251 1 8 -0.26 nl
Ile111 21.23 0.0223 2 8 -0.33 eb
Leu113 21.77 0.0223 2 8 -0.52 eb
Asp114 22.16 0.0251 2 9 -0.72 ib
Leu197 22.65 0.0223 3 9 -0.49 ib
Gly202 21.46 0.0251 2 9 -0.26 cl
Val203 24.64 0.0279 1 8 -0.44 cl
Gly215 22.21 0.0251 5 9 -0.12 cl
Val234 25.10 0.0223 3 8 -0.61 ib
Tyr235 21.94 0.0251 1 8 -0.29 eb
Ala276 21.39 0.0223 2 7 -0.30 nl
Pro277 29.21 0.0279 1 7 -0.48 nl
Gln315 24.50 0.0223 1 7 -0.16 ib
Thr317 31.42 0.0363 4 8 -0.76 ib
1ceo Gly 7 21.62 0.0301 2 9 -0.99 ib
Asn 9 23.12 0.0301 4 9 -1.13 ib
Leu 10 26.19 0.0271 2 8 -0.63 cl
Val 45 20.11 0.0271 3 8 -0.96 eb
Arg 46 21.03 0.0301 2 9 -1.05 ib
Phe 49 24.65 0.0241 3 8 -0.72 eb
Asp 50 21.73 0.0211 1 7 -0.25 ib
Leu 85 20.65 0.0211 2 7 -1.22 eb
Leu 87 22.59 0.0241 1 8 -0.83 eb
Asp 88 23.21 0.0271 1 8 -0.64 ib
Leu169 25.53 0.0211 3 7 -0.93 eb
Tyr170 23.55 0.0241 1 7 -0.85 ib
Val194 28.34 0.0241 2 9 -0.90 ib
Asn196 23.62 0.0301 2 9 -0.93 ib
Phe197 22.47 0.0392 3 8 -1.09 eb
Gly282 23.64 0.0241 2 8 -1.28 cl
1cnv Ala 8 26.85 0.0318 2 8 -0.79 ib
Val 9 28.77 0.0318 3 6 -0.87 eb
Tyr 10 22.32 0.0318 2 9 -0.80 ib
Ile 30 23.86 0.0283 3 7 -0.62 ib
Val 31 32.43 0.0283 3 8 -0.71 eb
Ile 33 22.00 0.0247 1 8 -0.65 eb
Val 79 27.19 0.0247 2 8 -0.69 eb
Phe 80 24.54 0.0318 4 8 -0.68 ib
Leu 81 25.20 0.0318 4 9 -0.77 eb
Ala 82 26.09 0.0318 2 9 -0.85 ib
Gly 84 28.75 0.0353 1 9 -0.69 ib
Gly125 24.85 0.0318 2 9 -0.84 ib
Ile126 22.03 0.0283 2 7 -0.82 eb
His127 21.71 0.0318 4 9 -0.89 ib
Leu159 22.21 0.0318 1 8 -0.72 eb
Ser160 25.29 0.0318 3 8 -0.85 ib
Ala161 30.31 0.0318 4 9 -0.85 eb
Ala162 20.77 0.0318 1 9 -0.85 cl
Pro163 21.41 0.0247 1 9 -0.81 cl
Ile184 20.65 0.0247 2 8 -0.73 eb
Phe185 25.02 0.0353 2 8 -0.87 ib
Val186 22.88 0.0283 3 8 -0.91 eb
Arg187 20.55 0.0247 1 9 -0.65 ib
Phe188 20.21 0.0247 1 9 -0.57 cl
Phe223 23.32 0.0318 3 7 -0.59 ib
Glu225 31.94 0.0353 2 8 -0.84 ib
Leu226 28.75 0.0283 1 6 -0.64 eb
Gly261 22.75 0.0318 2 9 -0.84 eb
Ala263 28.50 0.0318 2 8 -0.68 ib
Leu264 24.43 0.0283 2 6 -0.61 eb
Asn266 21.00 0.0247 3 7 -0.29 cl
1d3g Gly 93 23.25 0.0250 2 7 -0.77 ib
Ile 94 21.87 0.0222 2 7 -0.74 eb
Gly114 23.97 0.0250 2 8 -0.61 nl
Phe115 26.24 0.0278 1 6 -0.69 ib
Val121 22.59 0.0389 3 7 -0.77 eb
Gly179 23.70 0.0250 1 7 -0.78 ib
Val180 20.90 0.0333 2 8 -0.62 eb
Leu209 21.82 0.0222 1 6 -0.60 eb
Val210 21.73 0.0250 1 9 -0.69 ib
Val252 23.19 0.0222 1 6 -0.59 eb
Leu253 24.06 0.0250 3 6 -0.54 ib
Val254 23.10 0.0222 5 7 -0.54 eb
Lys255 21.18 0.0278 4 9 -0.82 ib
Gly279 29.02 0.0250 4 7 -0.74 ib
Leu280 25.55 0.0222 2 7 -0.59 eb
Ile281 23.27 0.0250 3 8 -0.78 ib
Ile331 20.16 0.0250 4 8 -0.82 ib
Gly332 26.42 0.0361 3 8 -0.81 eb
Gly349 22.15 0.0250 1 9 -0.71 ih
Ala350 28.96 0.0222 1 9 -0.74 nl
Gln354 24.73 0.0278 3 9 -0.79 ib
1dl3 Val 26 22.93 0.0471 4 7 -0.95 eb
Gly 58 20.95 0.0471 3 7 -1.05 eb
Val 59 22.00 0.0471 1 9 -0.73 ib
Val 80 23.84 0.0419 4 7 -0.71 eb
Gln 81 20.64 0.0419 3 9 -0.79 ib
Val100 26.82 0.0314 1 7 -0.41 eb
Trp101 22.42 0.0419 2 8 0.34 ib
Lys102 25.05 0.0419 2 7 -0.19 eb
Leu124 23.18 0.0419 1 8 -0.60 ib
Val155 26.38 0.0471 4 6 -0.59 ib
Ala176 23.28 0.0419 2 7 -0.69 ib
Val177 23.40 0.0419 2 8 -0.55 eb
1dos Gly 10 20.99 0.0241 2 9 -0.50 nl
Ala 30 22.46 0.0214 2 9 -0.69 nl
Leu 31 27.13 0.0241 2 7 -0.62 ib
Pro 32 23.26 0.0241 3 7 -0.65 eb
Ala 33 20.34 0.0214 1 8 -0.79 ib
Ala 54 26.40 0.0214 1 8 -0.67 nl
Ile 57 22.25 0.0214 4 8 -0.73 ib
Val102 25.39 0.0268 2 7 -0.49 nl
Pro103 25.44 0.0241 1 9 -0.65 ib
Val104 28.38 0.0214 1 8 -0.68 eb
Ile105 27.31 0.0295 2 6 -0.68 ib
His107 20.15 0.0241 4 9 -0.75 ib
Ser139 23.84 0.0295 1 6 -0.66 nl
His141 20.97 0.0241 2 8 -0.47 eb
Met142 24.74 0.0322 2 9 -0.28 ib
Ile143 32.81 0.0375 1 6 -0.19 eb
Leu171 25.25 0.0214 3 9 -0.47 eb
Glu172 25.75 0.0241 2 9 -0.52 ib
Ile173 33.78 0.0322 1 7 -0.27 eb
Thr217 23.95 0.0241 2 6 -0.61 ib
Ile218 24.33 0.0295 1 9 -0.51 eb
Val262 22.54 0.0241 2 9 -0.70 ib
Lys284 22.66 0.0214 3 8 -0.68 ib
Met285 24.75 0.0268 1 6 -0.28 eb
1e70 Val 33 24.43 0.0260 3 6 -0.60 eb
Pro254 21.32 0.0220 1 7 -0.76 eb
Ala335 26.50 0.0260 3 6 -0.73 ih
Glu409 23.49 0.0220 1 9 -0.27 ib
Leu455 25.93 0.0280 4 6 -0.51 ib
1edg Gly 32 23.81 0.0237 1 9 -1.29 ib
Trp 33 23.09 0.0237 2 7 -1.02 eb
Asn 34 25.29 0.0263 3 9 -1.13 ib
Thr 77 24.10 0.0237 4 7 -0.95 ib
Val 78 24.04 0.0237 3 6 -1.00 eb
Arg 79 24.43 0.0237 2 9 -0.30 ib
Ile 80 21.74 0.0237 3 9 -0.91 eb
Ile118 21.60 0.0211 3 9 -1.14 ib
Leu119 22.68 0.0211 2 8 -0.55 eb
Ile164 24.47 0.0211 3 7 -1.00 ib
Pro171 24.39 0.0237 1 9 -0.87 cl
Leu219 23.31 0.0211 3 7 -0.84 eb
Met220 24.16 0.0211 1 8 -0.93 ib
Val225 21.94 0.0211 2 7 -0.42 cl
Ile250 25.79 0.0211 3 9 -1.04 ib
Val251 26.01 0.0211 2 6 -1.15 eb
Val253 20.07 0.0289 1 7 -0.78 eb
Ile304 26.71 0.0237 2 7 -1.22 ib
Ile305 20.98 0.0211 3 7 -1.17 eb
Gly306 21.16 0.0211 1 9 -1.25 ib
Glu307 21.85 0.0237 3 9 -1.11 ib
Ile338 25.20 0.0263 2 6 -1.05 ib
1edq Ser162 25.42 0.0251 4 8 -1.14 eb
Leu187 23.66 0.0223 2 8 -1.06 eb
Tyr189 26.70 0.0223 2 8 -1.25 eb
Gly190 25.13 0.0251 2 7 -1.21 ib
Phe191 20.46 0.0251 3 9 -1.06 ib
Ile192 23.61 0.0223 2 6 -1.15 eb
Pro193 24.24 0.0223 2 8 -1.24 cl
Ile194 25.71 0.0279 2 8 -1.18 cl
Val226 26.00 0.0223 2 8 -1.22 cl
Leu269 22.34 0.0279 3 8 -0.96 ib
Pro270 25.00 0.0251 4 6 -1.23 eb
Ser271 25.59 0.0251 2 9 -1.36 ib
Ile272 27.43 0.0279 2 6 -1.27 eb
Gly273 29.69 0.0251 2 9 -0.93 ib
Val310 20.38 0.0223 2 8 -0.80 eb
Trp314 20.50 0.0223 2 6 -0.70 cl
Ser361 23.06 0.0223 4 8 -0.93 eb
Ala362 21.46 0.0223 1 9 -0.92 ib
Ile363 22.86 0.0223 1 7 -0.63 eb
Phe386 21.88 0.0251 1 7 -0.80 ib
Ile437 23.19 0.0223 2 6 -0.23 eb
Val438 25.20 0.0279 3 6 -0.65 ib
Val439 22.96 0.0307 2 7 -0.54 eb
Gly534 22.09 0.0251 3 8 -0.24 nl
1f74 Ser 9 22.41 0.0410 5 7 -0.84 eb
Val 13 20.73 0.0205 2 9 -0.71 cl
Ile 29 20.02 0.0307 2 7 -0.90 ih
Gly 41 28.12 0.0273 4 7 -0.87 ib
Leu 42 22.49 0.0273 2 6 -0.77 eb
Ala 78 22.86 0.0410 3 8 -1.09 eb
Ser104 21.78 0.0307 5 8 -1.01 ib
Thr107 22.23 0.0239 1 7 0.34 cl
Met133 21.41 0.0273 3 6 -0.66 eb
Gly162 23.10 0.0205 2 7 -0.57 eb
Val163 23.63 0.0239 4 6 -0.62 eb
Lys164 23.71 0.0307 3 9 0.34 ib
Ala187 24.32 0.0273 1 8 -0.54 eb
Gly203 28.01 0.0307 1 9 -0.56 ib
Ala204 21.94 0.0273 2 7 -0.86 eb
Asn210 21.55 0.0341 1 9 -0.81 cl
1f8m Tyr 89 22.25 0.0234 2 9 -0.91 ib
Pro149 22.42 0.0258 1 9 -0.56 nl
Val151 20.09 0.0211 2 9 -0.83 ib
Ala152 20.48 0.0281 1 9 -1.05 eb
Leu199 20.05 0.0211 3 8 -1.11 cl
1gg0 Leu 21 26.46 0.0291 3 7 -0.15 eb
Gly 23 28.26 0.0364 2 8 0.99 eb
Gly 24 22.14 0.0327 2 9 0.18 eb
Tyr 52 26.27 0.0255 2 6 -0.19 eb
Val 53 26.77 0.0291 4 6 -0.09 ib
Phe 54 24.12 0.0327 3 8 -0.66 eb
Ile 92 20.38 0.0218 2 6 0.52 eb
Ile 93 23.19 0.0364 2 6 -0.41 ib
Thr 94 21.17 0.0291 3 9 -0.11 eb
Val111 23.69 0.0327 3 6 -0.26 ib
Ile112 23.58 0.0327 3 6 -0.90 eb
Gln113 22.46 0.0291 2 9 -0.30 ib
Ile135 20.22 0.0255 3 6 -0.37 eb
Asn136 24.43 0.0291 4 9 -0.70 ib
Val137 21.91 0.0327 1 7 -1.04 eb
Val163 24.15 0.0255 1 6 -1.02 eb
Pro195 25.36 0.0473 1 9 -0.86 nl
Val196 26.64 0.0327 1 9 -0.91 eb
Val200 21.46 0.0218 1 7 -0.78 cl
Ala234 25.50 0.0400 3 7 -1.39 nl
Gly235 35.79 0.0436 4 8 -0.07 ib
Ala240 25.49 0.0364 2 7 -0.53 eb
His241 21.41 0.0218 3 9 -0.05 eb
1gow Gly 22 20.67 0.0204 1 8 -0.51 cl
Thr203 21.68 0.0225 2 9 -0.48 cl
Val319 21.91 0.0204 1 6 -0.59 eb
Thr323 20.42 0.0204 2 6 -0.75 cl
Thr386 24.78 0.0245 2 9 -0.60 ib
Glu387 22.75 0.0204 1 9 -0.42 ib
Tyr422 20.60 0.0204 1 9 -1.15 eb
Leu423 24.46 0.0245 2 6 -0.96 ib
1gvf Ala 19 20.74 0.0293 3 9 -0.70 nl
Val 20 23.25 0.0330 3 7 -0.75 ib
Pro 21 26.12 0.0403 2 7 -0.71 eb
Val 45 21.10 0.0220 2 7 -0.60 nl
Ile 46 22.14 0.0293 1 8 -0.88 ib
Val 98 22.91 0.0293 1 7 -0.41 nl
Leu172 20.27 0.0293 5 9 -0.58 eb
Val226 22.26 0.0256 1 7 -0.59 eb
Lys228 21.43 0.0330 4 9 -0.79 ib
Met267 20.99 0.0256 1 6 -0.44 ih
Cys278 22.84 0.0293 1 6 -0.49 ih
1gw1 Gly 76 20.87 0.0240 2 6 -0.89 ib
His 77 20.55 0.0240 4 7 -0.79 eb
Ala105 21.12 0.0213 3 8 -0.46 nl
Val107 24.49 0.0320 3 7 -0.83 ib
Thr139 25.39 0.0213 2 7 -0.83 ib
Val205 25.38 0.0213 1 9 -0.98 eb
Arg208 20.09 0.0213 1 9 -0.49 ib
Trp219 20.75 0.0240 1 9 -1.02 cl
Leu251 29.20 0.0320 1 8 -0.68 ib
Tyr252 29.53 0.0267 2 8 -0.84 eb
Ala253 23.29 0.0240 2 8 -0.99 ib
Val279 23.48 0.0240 3 9 -0.80 ib
Leu280 23.15 0.0240 1 7 -0.59 eb
Ile315 22.05 0.0213 3 8 -0.64 ib
Val317 28.82 0.0240 1 9 -0.92 ib
Ile318 23.39 0.0213 1 8 -0.76 eb
Glu320 22.72 0.0213 1 9 -0.26 cl
Ile354 26.49 0.0240 3 9 -0.73 nl
Ala355 24.91 0.0293 3 9 -0.92 nl
Phe356 23.96 0.0240 3 9 -0.68 ib
Leu358 23.53 0.0267 2 9 -0.88 ib
Asn362 21.34 0.0213 2 9 -0.33 cl
1h7w Phe546 23.60 0.0288 1 8 -0.79 eb
Phe570 28.82 0.0288 1 8 -0.90 ib
Thr573 22.59 0.0417 3 9 -0.65 cl
Ala639 20.17 0.0353 3 9 -0.77 eb
Ser640 20.83 0.0321 2 8 -0.76 ib
Ala664 22.59 0.0224 4 6 -0.66 ib
Leu665 25.75 0.0256 5 8 -0.67 eb
Glu666 23.03 0.0321 3 7 -0.54 ib
Val732 22.82 0.0256 2 8 -0.68 eb
1hg3 Ile 8 24.24 0.0357 1 6 -0.63 ib
Ile 9 25.08 0.0402 1 7 -0.38 eb
Ala 10 23.61 0.0357 1 7 -0.36 ib
Ile 11 21.82 0.0357 1 7 -0.31 eb
Ile 42 26.13 0.0268 1 7 -0.43 eb
Ala 45 25.15 0.0491 1 7 -0.81 ib
Val 62 26.17 0.0357 2 7 -0.66 nl
Ala 64 21.82 0.0446 3 8 -0.57 eb
Thr 92 21.39 0.0446 3 7 -0.24 eb
Thr120 22.01 0.0313 1 6 -0.67 eb
Val141 24.33 0.0357 3 9 -0.47 eb
Val179 20.43 0.0402 1 9 -0.40 eb
Leu180 22.51 0.0491 3 7 -0.47 ib
Gly182 27.99 0.0446 1 9 -0.39 ib
Gly201 28.04 0.0357 2 9 -0.37 ib
Val202 24.10 0.0357 2 9 -0.08 eb
Leu203 20.95 0.0446 1 9 -0.82 ib
1huv Ile 77 26.29 0.0315 1 6 -0.61 eb
Ile103 21.95 0.0258 2 7 -0.60 nl
Val106 25.75 0.0229 1 6 -0.63 ib
Leu107 20.51 0.0229 2 6 -0.42 eb
Trp127 22.23 0.0258 2 6 -0.45 ib
Phe128 25.86 0.0315 5 6 -0.42 eb
Gln129 24.71 0.0258 3 9 -0.54 ib
Thr152 22.44 0.0201 4 7 -0.03 ib
Leu153 28.15 0.0258 1 9 -0.27 eb
Val154 21.14 0.0229 2 7 -0.53 ib
Leu229 20.25 0.0258 4 6 -0.33 ib
Gly249 28.05 0.0229 1 9 -0.43 ib
Val250 27.15 0.0201 2 8 -0.57 eb
Ile251 20.01 0.0258 5 6 -0.62 ib
Leu252 24.99 0.0344 2 7 -0.87 eb
Val304 28.90 0.0201 3 8 -0.77 eb
Gly341 22.31 0.0201 1 9 -0.39 eh
1i1w Phe 18 20.35 0.0232 1 7 -0.31 eb
Gly 19 22.19 0.0331 4 9 -0.80 ib
Phe 40 20.98 0.0298 1 7 -0.17 ih
Gln 42 21.17 0.0331 3 7 -0.72 ib
Arg 81 20.30 0.0298 5 8 -0.57 ib
Thr 84 24.12 0.0265 1 9 -0.37 ib
Asp127 20.71 0.0331 2 9 -0.59 ib
Leu169 26.77 0.0265 1 9 -0.48 eb
Tyr170 23.25 0.0331 2 6 -0.84 ib
Gly203 22.94 0.0298 3 8 -0.74 ib
Thr265 22.60 0.0364 4 8 -0.74 ib
Val266 20.41 0.0298 1 6 -0.82 eb
Val269 21.26 0.0265 2 6 -0.34 cl
Leu282 21.15 0.0232 2 8 -0.45 cl
1itq Ser 66 27.30 0.0271 1 8 -0.92 ib
Ser120 29.05 0.0244 1 7 -0.62 eb
Gly123 24.74 0.0271 1 8 -1.05 ib
Asp195 23.40 0.0217 1 9 -0.40 ib
Ile216 22.38 0.0244 1 9 -0.87 ib
Ser218 20.01 0.0271 1 9 -0.82 cl
Ser221 21.65 0.0217 1 9 0.12 cl
Leu246 24.62 0.0298 1 7 -0.65 ib
Val247 23.61 0.0298 3 9 -0.86 eb
1j5s Thr176 20.61 0.0244 3 7 -0.62 cl
1jcl Thr 43 21.29 0.0278 1 7 -0.49 nl
Ala 45 21.17 0.0317 2 7 -0.65 ib
Ile 46 23.63 0.0397 4 8 -0.38 eb
Cys 47 20.94 0.0357 1 9 -0.50 ib
Ile 48 26.27 0.0317 1 7 -0.41 cl
Ile 70 20.70 0.0397 2 7 -0.45 eb
Ala 71 20.02 0.0397 2 8 -0.69 ib
Thr 72 24.16 0.0397 3 7 -0.65 eb
Val 73 20.35 0.0317 1 9 -0.61 ib
Gly 79 20.25 0.0238 2 9 -0.44 cl
Val103 23.91 0.0476 1 8 -0.69 eb
Leu136 21.70 0.0278 2 7 -0.55 eb
Lys137 23.62 0.0357 2 9 -0.70 ib
Val138 28.51 0.0437 1 9 -0.77 eb
Ile140 27.13 0.0397 1 7 -0.67 cl
Asp164 20.03 0.0278 1 8 -0.61 nl
Ile166 27.36 0.0357 3 8 -0.77 eb
Lys167 24.79 0.0357 1 9 -0.63 ib
Phe200 21.77 0.0317 3 8 -0.77 eb
Lys201 20.83 0.0317 4 9 -0.74 ib
Arg234 21.00 0.0357 1 9 -0.69 nl
Phe235 20.05 0.0397 3 6 -0.58 eb
1juk Ile 48 22.68 0.0364 2 7 -0.28 eb
Ala 50 22.11 0.0364 2 9 -0.43 eb
Ala 77 21.19 0.0202 1 9 -0.46 nl
Val 78 28.61 0.0364 3 6 -0.68 nl
Gly 79 26.23 0.0324 4 8 -1.14 ib
Leu 80 26.40 0.0324 2 8 -0.69 eb
Ser 81 23.58 0.0324 1 9 -0.69 ib
Ile 82 20.36 0.0324 1 9 -0.86 eb
Pro106 22.82 0.0405 1 8 -0.94 ib
Leu108 22.53 0.0405 3 9 -0.93 ib
Met109 21.76 0.0445 3 8 -0.74 eb
Ala127 24.45 0.0283 1 9 -0.81 nl
Thr129 26.59 0.0445 1 8 -0.90 nl
Val130 24.25 0.0364 4 8 -0.77 nl
Leu131 28.18 0.0405 2 9 -0.71 ib
Leu132 28.18 0.0283 1 8 -0.88 eb
Pro156 20.70 0.0202 1 7 -1.02 nl
Ile158 25.98 0.0324 3 9 -0.85 eb
Glu159 24.41 0.0324 1 9 -0.65 ib
Ile177 25.10 0.0324 3 8 -0.60 eb
Gly178 23.45 0.0324 3 9 -1.04 ib
Val208 22.19 0.0364 4 8 -0.70 ib
Val227 20.16 0.0202 1 7 -0.74 nl
Ala229 23.64 0.0364 2 7 -0.69 ib
Phe230 21.88 0.0243 3 7 -0.91 eb
1k4g Phe 42 21.64 0.0215 2 9 -0.50 eb
Met 43 25.10 0.0242 3 9 -0.61 ib
Pro 44 29.56 0.0269 1 9 -0.50 eb
Ile 66 26.25 0.0215 3 8 -0.78 nl
Pro 98 20.29 0.0242 2 7 -0.83 nl
Leu100 22.64 0.0242 4 8 -0.82 ib
Met153 23.17 0.0215 2 8 -0.55 ib
Ala154 27.57 0.0323 1 6 -0.62 cl
Ala179 25.51 0.0215 1 8 -0.54 ih
Phe199 21.02 0.0242 4 8 -0.57 ib
His257 24.38 0.0215 1 8 -0.80 eb
Tyr258 21.34 0.0215 2 9 -0.65 ib
Leu259 22.07 0.0242 2 8 -0.63 eb
Ile276 24.40 0.0215 1 6 -0.85 nl
Asp277 22.77 0.0242 1 9 -0.81 nl
Met278 24.07 0.0242 3 8 -0.66 ib
Phe279 27.57 0.0269 2 8 -0.60 eb
Asp280 25.19 0.0269 2 9 0.35 ib
Arg328 27.57 0.0242 2 8 -0.64 cl
1kbl Gly558 20.73 0.0385 2 9 -1.23 ib
Thr615 22.36 0.0220 1 7 -1.22 ib
Arg617 22.79 0.0220 2 9 -0.74 ib
Pro701 23.17 0.0275 3 6 -0.80 nl
Ile703 20.58 0.0247 1 7 -1.04 eb
Met704 20.26 0.0247 3 9 -1.13 ib
Ile705 25.80 0.0220 1 7 -1.22 eb
Gly741 22.42 0.0275 4 7 -1.16 ib
Thr742 32.37 0.0330 2 6 -1.10 eb
Met743 21.53 0.0247 1 9 -0.48 ib
Ile744 25.03 0.0247 1 6 -1.34 eb
Glu745 25.25 0.0247 1 9 -0.67 cl
Ser764 21.76 0.0275 3 9 -0.97 ib
Gly829 20.61 0.0247 2 8 -1.03 ib
Val852 22.45 0.0302 3 8 -1.26 eb
Ser853 21.37 0.0357 2 9 -0.90 ib
Val859 22.69 0.0220 1 8 -0.65 ih
1km0 Leu 15 25.21 0.0294 2 6 -0.89 eb
Ile 16 24.36 0.0378 3 8 -1.11 ib
Leu 17 22.86 0.0336 2 9 -1.01 eb
Thr 40 28.54 0.0420 1 6 -1.02 ib
Val 41 26.72 0.0378 3 7 -0.92 eb
Lys 42 20.31 0.0336 2 9 -0.74 ib
Ile 43 23.93 0.0336 1 8 -1.04 eb
Leu 47 20.68 0.0252 1 8 -1.02 cl
Ile 67 21.14 0.0336 1 7 -0.56 eb
Ile 68 20.39 0.0378 3 8 -1.04 ib
Ala 69 22.92 0.0378 2 8 -0.99 eb
Asn 70 24.26 0.0294 1 9 -0.79 ib
Ala 94 24.13 0.0294 1 6 -0.87 ib
Ile 95 21.40 0.0294 4 6 -1.00 eb
Ile 96 26.33 0.0420 4 8 -1.06 ib
Val 97 27.08 0.0378 3 7 -0.78 eb
His 98 21.42 0.0252 2 9 -0.89 ib
Val120 23.76 0.0294 1 7 -0.51 eb
Phe121 24.06 0.0378 3 7 -0.68 ib
Leu122 20.44 0.0420 4 6 -0.67 eb
Thr124 20.99 0.0378 1 8 -0.26 cl
Asn153 20.74 0.0294 1 8 -0.44 ib
Val155 21.74 0.0378 5 8 -1.09 ib
Gly156 24.53 0.0378 3 8 -0.91 cl
Ile178 21.22 0.0336 4 7 -1.07 ib
Ser179 21.11 0.0378 5 8 -1.05 eb
Ala196 21.92 0.0252 1 8 -0.81 nl
Ile199 26.53 0.0336 3 8 -0.89 eb
Ile200 22.31 0.0378 1 9 -1.28 ib
Val201 23.67 0.0336 1 8 -1.25 eb
1l2q Gly128 20.28 0.0263 2 9 -1.04 eb
Thr155 21.09 0.0219 2 9 -0.99 ib
Ser369 25.39 0.0219 2 9 -0.43 cl
1luc Gly 4 22.99 0.0276 2 7 -0.61 ib
Asn 5 22.67 0.0276 2 7 -0.57 eb
Leu 42 24.76 0.0276 1 6 0.21 cl
Val 71 20.09 0.0215 3 7 -0.61 eb
Thr 73 28.92 0.0337 2 8 -0.42 eb
Ala 74 25.63 0.0307 1 6 -0.13 cl
Ala 75 22.45 0.0276 2 8 -0.24 cl
Leu 78 27.40 0.0245 1 8 -0.39 cl
Phe103 22.08 0.0307 2 7 -0.52 eb
Gly104 21.73 0.0276 2 9 -0.54 ib
Pro189 21.44 0.0215 1 8 -0.61 ib
1lwh Tyr 4 27.64 0.0205 2 9 -0.89 eb
Gln 5 27.74 0.0230 2 8 -0.81 ib
Phe 39 25.57 0.0205 2 7 -0.95 ib
Val 40 27.07 0.0205 2 7 -1.08 eb
Trp 41 24.79 0.0256 2 7 -0.98 ib
Leu 42 26.21 0.0205 1 8 -1.30 eb
Val 87 26.52 0.0256 4 7 -1.10 ib
Leu 88 24.51 0.0230 4 6 -1.23 eb
Asp 89 28.48 0.0230 2 9 -0.53 ib
Gly 96 22.57 0.0205 3 8 -0.97 cl
Phe183 23.41 0.0230 3 8 -1.13 eb
Arg184 23.05 0.0205 3 9 -0.67 ib
Phe185 21.45 0.0205 1 6 -1.12 eb
Leu214 23.63 0.0205 2 6 -0.14 ib
Ala215 24.36 0.0230 2 7 -0.49 eb
Glu216 20.80 0.0205 1 8 2.50 cl
Tyr233 25.45 0.0205 3 7 -0.70 ib
Met234 26.21 0.0205 2 6 0.24 eb
Leu235 21.76 0.0205 1 6 -0.96 ib
Val271 21.41 0.0205 2 7 -1.13 ib
Asn272 21.93 0.0256 1 8 -0.93 eb
Gly306 23.01 0.0205 1 8 0.12 nl
Val307 20.29 0.0205 2 7 -0.99 ib
Leu309 20.20 0.0205 1 6 -0.76 ib
1onr Ala 16 23.08 0.0316 4 8 -0.99 eb
Ile131 20.68 0.0316 3 8 -0.86 eb
Ala134 20.04 0.0253 2 9 -1.05 eb
Ser135 20.40 0.0222 1 7 -0.70 cl
Cys153 25.25 0.0222 2 8 -0.85 eb
Asn154 23.18 0.0316 2 9 -1.00 ib
Leu155 23.67 0.0316 3 6 -1.06 eb
Thr156 20.21 0.0253 3 9 -1.15 ib
Leu158 21.06 0.0253 1 6 -0.72 cl
Ile175 22.12 0.0253 3 8 -0.98 eb
Ser176 22.14 0.0285 3 9 -0.79 ib
Pro177 22.49 0.0316 1 9 -0.42 eb
Phe178 21.97 0.0316 3 8 -0.29 ib
Val179 23.17 0.0316 1 8 -0.51 cl
Gly224 20.71 0.0285 4 6 -0.95 eb
Ala237 23.17 0.0253 1 8 -0.52 nl
1pdy Leu144 27.96 0.0254 2 6 -0.68 nl
Pro145 28.12 0.0277 3 9 -0.49 nl
Val146 27.29 0.0277 1 6 -0.65 nl
Ala148 22.42 0.0231 2 7 -1.13 ib
Asn150 20.76 0.0254 1 9 -0.27 ib
Val151 21.17 0.0208 2 8 -0.56 eb
Phe167 20.98 0.0231 2 9 -0.22 eb
Ile169 22.35 0.0208 4 8 -0.33 eb
Gly242 25.79 0.0231 3 7 -0.75 ib
Asp295 23.07 0.0254 2 9 -0.22 cl
Leu341 20.77 0.0254 6 7 -0.71 eb
Thr368 20.71 0.0208 2 6 -0.62 eb
Val370 20.78 0.0231 1 7 -0.86 eb
Gly388 29.49 0.0254 1 8 -0.66 eh
Gln393 23.31 0.0231 3 8 -0.57 ib
Thr396 21.85 0.0208 1 9 -0.62 cl
1pym Glu 25 23.56 0.0352 1 8 -0.15 eb
Gly 42 29.58 0.0246 2 8 -0.64 ib
Trp 44 24.05 0.0352 3 6 -1.07 ib
Leu 83 23.27 0.0352 3 6 -0.83 ib
Gly110 29.21 0.0352 2 8 -0.93 ib
Ala158 28.02 0.0458 3 9 -0.41 eb
Ala186 22.37 0.0282 2 6 -0.21 ib
Ile187 21.03 0.0282 2 7 -0.06 eb
Val235 27.38 0.0282 1 7 -0.48 eb
1qap Val211 26.53 0.0242 1 8 -0.73 eb
Glu212 25.74 0.0311 3 9 -0.93 ib
Val213 23.62 0.0277 2 9 -0.64 eb
Glu214 20.36 0.0277 1 9 -0.01 ib
Ile232 21.20 0.0277 3 7 -1.00 eb
Leu255 21.67 0.0242 2 6 -0.32 eb
Glu256 23.72 0.0311 2 9 0.05 ib
1qat Arg338 23.66 0.0216 1 8 -0.98 nl
Leu436 35.72 0.0236 1 7 -0.89 ib
1qo2 Val 4 23.80 0.0378 2 8 -1.14 ib
Pro 5 24.81 0.0336 2 9 -1.11 eb
Ala 6 24.20 0.0336 1 9 -1.28 ib
Leu 9 22.36 0.0294 1 7 -1.10 eb
Val 14 23.59 0.0210 2 8 -0.50 cl
Ile 76 20.01 0.0252 2 6 -1.55 eb
Gln 77 23.72 0.0378 2 8 -1.49 ib
Arg 98 20.15 0.0294 2 8 -1.34 ib
Gln 99 23.84 0.0336 2 8 -1.65 eb
Pro122 21.18 0.0252 1 6 -0.80 eb
Val123 20.78 0.0378 2 7 -1.31 ib
Phe124 21.70 0.0336 3 8 -1.27 eb
Glu160 20.75 0.0252 2 7 -0.47 ib
Val191 20.13 0.0336 4 7 -1.41 eb
Leu192 20.07 0.0336 6 8 -1.38 ib
Gly219 21.39 0.0294 2 8 -1.33 eb
Val220 22.77 0.0378 2 7 -1.45 eb
Val222 21.18 0.0294 1 6 -1.05 eb
1qtw Ile 4 27.18 0.0386 1 6 -0.16 eb
Gly 5 28.05 0.0421 1 9 -0.66 eb
Ala 6 24.27 0.0351 4 8 -0.59 eb
Ala 28 28.42 0.0386 3 7 -0.48 ib
Phe 29 25.56 0.0351 1 6 -0.58 eb
Ala 30 24.60 0.0316 2 9 -0.63 ib
Ile 66 20.34 0.0211 2 7 -0.44 eb
Leu 67 20.87 0.0316 2 6 -0.48 ib
Gly 77 20.51 0.0351 1 8 -0.34 cl
Asn107 24.50 0.0351 2 9 -0.65 ib
Gly111 20.16 0.0316 1 9 -0.46 cl
Ala142 22.10 0.0281 3 7 -0.37 eb
Asn146 26.99 0.0316 1 8 -0.72 cl
Gly175 22.55 0.0246 2 8 -0.57 ib
Val176 21.34 0.0386 2 9 -0.41 eb
Gly214 27.38 0.0316 4 7 -0.72 ib
Met215 23.50 0.0316 2 6 -0.41 eb
Pro257 28.68 0.0456 1 9 -0.62 ib
Ile259 22.19 0.0386 2 8 -0.61 ib
1smd Glu 47 20.11 0.0242 3 8 -0.38 cl
1tml Phe 5 20.93 0.0210 2 7 -0.55 ib
Gly 39 27.30 0.0280 1 6 -0.68 cl
Ile 69 31.43 0.0385 1 6 -0.64 ib
Val 71 31.43 0.0350 2 9 -0.66 ib
Val 72 25.92 0.0280 1 8 -0.49 eb
Ala110 22.40 0.0245 1 7 -0.42 nl
Ile112 25.16 0.0280 2 7 -0.68 eb
Ile113 30.41 0.0315 2 8 -0.69 ib
Glu115 21.52 0.0245 1 9 -0.55 cl
Ile153 23.85 0.0245 2 7 -0.41 eb
Tyr154 26.97 0.0385 5 9 -0.50 ib
Gly183 21.56 0.0210 2 9 -0.61 ib
Ala185 20.35 0.0350 1 8 -0.68 ib
Ala215 23.76 0.0385 2 7 -0.46 eb
Val216 22.01 0.0315 4 8 -0.68 ib
Asp218 20.87 0.0385 3 9 -0.76 ib
Thr219 25.87 0.0420 1 9 -0.80 cl
Ser220 23.60 0.0385 2 9 -0.88 cl
Leu256 22.23 0.0350 3 9 -0.66 ib
Trp257 20.38 0.0315 2 9 -0.75 eb
1ttp Pro 21 24.57 0.0391 3 6 -0.89 eb
Phe 22 20.10 0.0391 1 7 -0.81 ib
Ala 47 25.07 0.0313 2 6 -0.62 ib
Leu 48 21.92 0.0273 2 8 -0.79 eb
Glu 49 22.28 0.0313 2 9 -1.03 ib
Gly 51 20.47 0.0273 1 9 -0.59 ib
Gly 98 22.78 0.0352 2 7 -1.31 ib
Met101 20.67 0.0234 1 7 -0.98 eb
Ser125 23.70 0.0352 2 9 -1.45 ib
Val126 22.69 0.0313 1 6 -1.60 eb
Val128 23.01 0.0273 1 7 -1.42 eb
Thr174 29.54 0.0352 2 7 -0.86 eb
Tyr175 20.91 0.0313 2 9 -1.15 ib
Ala208 21.42 0.0273 1 7 -0.74 eb
Gln210 22.90 0.0352 3 8 -0.10 eb
Ala231 20.80 0.0313 1 8 -0.87 eb
Ser233 22.01 0.0313 2 8 -0.52 eb
1uro Thr 31 22.10 0.0252 2 7 -0.37 eb
Pro 32 21.78 0.0224 2 9 -0.57 ib
Val 33 23.42 0.0280 2 7 -0.44 eb
Ile 83 22.45 0.0280 1 7 -0.53 cl
Pro150 20.24 0.0308 2 8 -0.68 nl
Gly153 26.46 0.0308 2 9 -0.70 eb
Phe154 23.05 0.0224 1 9 -0.64 ib
Ala213 24.73 0.0252 2 7 -0.79 ib
Gln215 25.91 0.0224 2 8 -0.63 ib
Leu216 21.26 0.0224 3 6 -0.80 eb
Glu218 22.96 0.0252 1 9 -0.64 eb
Pro257 24.52 0.0252 1 8 -0.74 nl
Ile259 22.85 0.0252 1 8 -0.78 ib
Val279 21.90 0.0252 4 7 -0.73 ib
2dor Met 16 21.25 0.0289 1 6 -0.69 ib
Asn 17 23.37 0.0289 2 6 -0.90 eb
Thr 42 21.54 0.0289 4 6 -0.71 cl
Ser 68 22.34 0.0289 1 9 -0.56 cl
Phe 98 20.83 0.0289 2 7 -0.29 eb
Glu125 20.22 0.0257 4 9 -0.76 ib
Gly162 21.38 0.0289 3 6 -0.36 ib
Pro166 20.38 0.0354 2 8 -0.77 cl
Val189 20.30 0.0257 4 7 -0.53 eb
Val232 22.96 0.0289 1 7 -0.80 ih
Gln244 24.85 0.0225 2 6 -0.43 ib
Gly247 21.23 0.0418 3 8 -0.81 eb
Ala265 23.50 0.0289 1 9 -0.71 nl
2tmd Arg 23 31.26 0.0206 1 9 0.88 nl
Phe 24 22.08 0.0294 1 8 -0.20 eb
Tyr 25 21.19 0.0235 1 7 -0.33 ib
Gln 26 20.51 0.0265 2 7 -0.84 eb
Ala 54 20.32 0.0265 2 8 -0.33 nl
Cys 61 20.15 0.0265 3 6 -0.99 eb
Ser 62 28.25 0.0206 2 7 -0.80 eb
Val102 22.23 0.0324 1 7 -0.75 eb
Glu103 24.78 0.0294 2 9 -1.13 ib
Leu104 29.88 0.0324 1 8 -1.08 eb
Val166 23.38 0.0235 1 9 -0.69 eb
Val168 21.10 0.0265 1 8 -0.60 eb
Cys217 20.63 0.0235 1 6 -0.04 nl
Ala218 22.04 0.0265 1 6 -0.55 ib
Thr221 23.02 0.0235 2 9 -0.52 eb
Asp252 22.76 0.0206 1 7 0.58 nl
Ile256 22.09 0.0294 2 7 -0.79 eb
Pro293 22.96 0.0206 2 9 0.04 nl
Val294 24.19 0.0206 2 7 -0.06 eb
Cys320 20.71 0.0235 1 7 -1.08 eb
2tps Val 28 22.94 0.0487 1 7 -0.67 eb
Phe 30 24.05 0.0442 4 8 -0.78 eb
Ala 48 22.31 0.0310 1 8 -0.55 ih
Thr 54 25.11 0.0398 2 7 -0.63 nl
Leu 55 26.09 0.0442 2 6 -0.68 ib
Tyr 56 28.52 0.0398 5 7 -0.73 eb
Gln 57 26.90 0.0354 5 9 -0.74 ib
Phe 89 20.52 0.0310 1 7 -0.74 eb
Ile 90 24.98 0.0442 4 7 -0.67 ib
Val 91 21.05 0.0265 4 8 -0.65 eb
Asp104 24.36 0.0354 1 9 -0.54 nl
Gly105 24.17 0.0354 3 9 -0.69 ib
Ile106 21.91 0.0354 3 8 -0.18 eb
Gly128 20.70 0.0398 1 9 -0.73 ib
Asp146 23.19 0.0354 1 8 -0.49 nl
Tyr147 20.25 0.0354 1 9 -0.67 ib
Val148 23.06 0.0354 2 6 -0.51 eb
Leu150 23.39 0.0398 1 6 -0.41 eb
Ile153 20.92 0.0354 2 8 -0.43 cl
Ile183 23.29 0.0398 1 7 -0.52 eb
Val184 21.79 0.0487 3 8 -0.74 ib
Gly185 21.34 0.0398 4 8 -0.61 eb
Gly188 20.51 0.0354 1 9 -0.52 cl
Gly204 25.85 0.0442 4 8 -0.64 ib
Val205 24.31 0.0354 2 7 -0.72 eb
Ser206 27.96 0.0487 2 9 -0.62 ib
Met207 24.44 0.0354 2 8 -0.45 eb
4ubp Gly198 25.43 0.0308 1 7 -0.60 cl
Gly215 25.23 0.0283 1 9 -0.48 nl
His272 21.60 0.0231 3 9 -0.41 ib
Leu297 20.42 0.0257 1 8 -0.22 ib
Pro298 21.31 0.0231 1 9 -0.35 eb
Ser496 22.20 0.0308 1 9 -0.61 nl
5ptd Ser 27 24.36 0.0304 1 9 -0.18 nl
Pro 29 24.84 0.0372 1 9 -0.88 eb
Gly 30 26.72 0.0338 3 9 -0.71 ib
Thr 31 21.65 0.0372 2 9 -0.78 eb
Arg 64 21.05 0.0203 1 9 -0.76 nl
Ile111 21.19 0.0236 1 9 -0.80 ib
Met112 27.73 0.0270 1 9 -0.56 eb
Ser113 26.14 0.0304 1 9 -0.86 ib
Lys157 23.19 0.0236 1 9 -0.12 nl
Ile158 23.75 0.0270 2 9 -0.66 eb
Val159 25.95 0.0270 2 8 -0.32 ib
Leu160 23.80 0.0236 1 9 -0.64 eb
Gly172 21.28 0.0236 1 9 -0.52 cl
Asn231 25.07 0.0338 1 9 -0.82 eb
Ala249 22.40 0.0203 1 9 -0.35 ih
Gly269 27.94 0.0405 1 9 -0.30 nl
Val271 23.03 0.0304 1 7 -0.51 eb
7a3h Gly 31 22.36 0.0333 2 9 -0.76 eb
Ser 34 23.93 0.0267 6 9 -0.82 cl
Phe 61 22.99 0.0333 3 8 -0.60 eb
Met 65 23.35 0.0333 1 8 -0.70 eb
Ile 94 23.27 0.0267 2 7 -0.66 nl
Tyr 95 27.43 0.0267 2 8 -0.75 ib
Val 96 27.30 0.0233 3 8 -0.88 eb
Ile 97 23.17 0.0267 1 9 -0.94 ib
Asp 99 25.32 0.0333 2 8 -0.91 ib
Val132 30.07 0.0233 1 8 -0.33 eb
Ile133 25.68 0.0267 1 8 -0.83 ib
Tyr134 25.34 0.0233 1 8 -0.83 eb
Asn138 25.43 0.0333 1 9 -0.87 cl
Ile171 24.68 0.0233 2 8 -0.98 eb
Ile172 27.86 0.0300 2 8 -0.99 ib
Gly174 26.81 0.0333 1 9 -0.94 cl
Met196 24.58 0.0267 2 7 -0.83 ib
Tyr197 22.97 0.0300 4 6 -0.81 eb
Ala198 23.26 0.0400 2 8 -0.94 ib
Ala203 24.65 0.0400 1 9 -0.43 cl
Ile224 21.81 0.0233 2 6 -0.58 eb
Phe225 23.20 0.0267 2 9 -0.83 ib
Val226 24.89 0.0267 3 8 -0.82 eb
Glu228 20.99 0.0267 2 9 -0.47 cl
8ruc Gly323 24.78 0.0236 2 9 -0.85 nl
Val374 22.48 0.0215 1 9 -0.28 nl
___________________________________________________________
Hp : Surrounding hydrophobicity
LRO : Long-range order
SC : Stabilization center
Cons: Conservation score
B' : Normalized B factor
Location:
The residues in each TIM-barrel domain have been classified into four classes:
(i) beta-sheet (residues from the eight-stranded beta-sheet of the barrel core);
(ii) alpha-helix (residues from the alpha-helices that surrond the internal beta-sheet);
(iii) C-terminal loop [residues from the loops of the C-terminal side of the barrel (cl)]; and
(iv) N-terminal loop [residues from the loops of the N-terminal side of the barrel (nl)].
Moreover, the direction of the sidechain has been used to further classify
residues from the alpha-helix and beta-sheet classes into internal
[sidechain pointing towards the interior of the barrel in beta-sheet residues (ib)
or towards the beta-sheet/alpha-helix interface in helical residues (ih)]
or external [sidechain pointing towards the beta-sheet/alpha-helix interface in beta-sheet residues (eb)
or towards the solvent in helical residues (eh)].
In the case of Gly residues, the position of the Calpha is taken as reference
for classifiying them as interior or exterior residues.