A0A096MKK7_PAPAN Loading...

Calpain-7

Calcium-regulated non-lysosomal thiol-protease.

AlphaFold DB , UniProt , Accession A0A096MKK7, Species PAPAN (Papio anubis, Olive baboon), Gene CAPN7, Length 813 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.9Low71.2Confident93 Ų9354.6 Ų54.646%0.45829%0.286SS..  0159.20-60.9-177.8-69.900107L6 Y42 A46M1-L6 HydrophobicContact CB-CD1 3.54Å; M1-L6 HydrophobicContact CE-CD1 3.84Å; M1-L6 HydrophobicContact CG-CD1 4.33Å; M1-L6 HydrophobicContact SD-CD1 3.97Å; M1-Y42 HydrophobicContact CE-CD1 3.8Å; M1-Y42 HydrophobicContact CE-CG 4.06Å; M1-A46 HydrophobicContact CB-CB 4.49Å
2D61.3Low71.8Confident87 Ų8759.5 Ų59.547%0.46531%0.306SS..  trans-76.2124.6169.5171.628.6000109.2T4 A5 L6 R8D2-T4 PolarHBondContact OD1-N 3.49Å; D2-A5 HydrophobicContact CB-CB 4.01Å; D2-A5 WeakPolarHBondContact OD2-CB 3.43Å; D2-A5 PolarHBondContact OD2-N 3.33Å; D2-L6 WeakPolarHBondContact O-CD1 3.42Å; D2-L6 WeakPolarHBondContact O-CG 3.46Å; D2-L6 PolarHBondContact O-N 3.39Å; D2-R8 IonicContact OD2-NH2 3.8Å
3A69Low72.6Confident12 Ų1256.2 Ų56.210%0.09929%0.288CS..Hα-helixtrans-63.8-45.4176.500000110.7A5 L6 E7 A46A3-A5 VanDerWaalsContact C-N 3.27Å; A3-A5 PolarHBondContact O-N 3.19Å; A3-L6 PolarHBondContact O-N 2.99Å; A3-E7 VanDerWaalsContact O-CG 3.31Å; A3-E7 WeakPolarHBondContact O-CG 3.42Å; A3-E7 PolarHBondContact O-N 3.3Å; A3-A46 HydrophobicContact CB-CB 3.77Å
4T69.4Low73.6Confident74 Ų7452.8 Ų52.845%0.45427%0.272SS..Hα-helixtrans-68.1-24.9-174.1-50.70000112.5D2 R8D2-T4 PolarHBondContact OD1-N 3.49Å; T4-R8 WeakPolarHBondContact O-CG 3.46Å; T4-R8 PolarHBondContact O-N 3.48Å; T4-R8 PolarHBondContact O-NE 3.33Å
5A66.1Low74.3Confident31 Ų3161.5 Ų61.526%0.25630%0.3SS..Hα-helixtrans-66.7-49.1166.200000111.9D2 A3 E7 R8 D9D2-A5 HydrophobicContact CB-CB 4.01Å; D2-A5 WeakPolarHBondContact OD2-CB 3.43Å; D2-A5 PolarHBondContact OD2-N 3.33Å; A3-A5 VanDerWaalsContact C-N 3.27Å; A3-A5 PolarHBondContact O-N 3.19Å; A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 3.13Å; A5-R8 WeakPolarHBondContact O-CA 3.29Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.32Å; A5-D9 PolarHBondContact O-N 3.32Å
6L71.2Confident74.6Confident8 Ų859.4 Ų59.44%0.04229%0.291CS..Hα-helixtrans-69.9-30.3-176.7-66.8161.1000112.7M1 D2 A3 R8 A10 Y42 A43 A46M1-L6 HydrophobicContact CB-CD1 3.54Å; M1-L6 HydrophobicContact CE-CD1 3.84Å; M1-L6 HydrophobicContact CG-CD1 4.33Å; M1-L6 HydrophobicContact SD-CD1 3.97Å; D2-L6 WeakPolarHBondContact O-CD1 3.42Å; D2-L6 WeakPolarHBondContact O-CG 3.46Å; D2-L6 PolarHBondContact O-N 3.39Å; A3-L6 PolarHBondContact O-N 2.99Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 2.93Å; L6-Y42 WeakPolarHBondContact CD1-O 3.5Å; L6-A43 HydrophobicContact CB-CB 4.02Å; L6-A46 HydrophobicContact CD1-CB 4.22Å
7E78.9Confident75.2Confident33 Ų3355.9 Ų55.915%0.15427%0.274CS..Hα-helixtrans-60.7-41.1167.6-68.5170.6-173.500111.8A3 A5 V11 A43 S48 L50A3-E7 VanDerWaalsContact O-CG 3.31Å; A3-E7 WeakPolarHBondContact O-CG 3.42Å; A3-E7 PolarHBondContact O-N 3.3Å; A5-E7 VanDerWaalsContact C-N 3.34Å; A5-E7 PolarHBondContact O-N 3.13Å; E7-V11 VanDerWaalsContact O-CG2 3.32Å; E7-V11 WeakPolarHBondContact O-CG2 3.36Å; E7-V11 PolarHBondContact O-N 2.9Å; E7-A43 HydrophobicContact CG-CB 3.77Å; E7-S48 WeakPolarHBondContact OE1-CA 3.44Å; E7-S48 WeakPolarHBondContact OE1-CB 3.28Å; E7-S48 PolarHBondContact OE1-OG 2.96Å; E7-L50 HydrophobicContact CB-CD1 4.2Å; E7-L50 HydrophobicContact CG-CD1 3.73Å; E7-L50 HydrophobicContact CG-CG 4.21Å
8R75.8Confident75.9Confident150 Ų15056.2 Ų56.257%0.56628%0.279SS*.Hα-helixtrans-70.8-44.9177.5-75.5174.7-75163.8-2.6111.5D2 T4 A5 L6 A10 V11 Q12D2-R8 IonicContact OD2-NH2 3.8Å; T4-R8 WeakPolarHBondContact O-CG 3.46Å; T4-R8 PolarHBondContact O-N 3.48Å; T4-R8 PolarHBondContact O-NE 3.33Å; A5-R8 WeakPolarHBondContact O-CA 3.29Å; A5-R8 WeakPolarHBondContact O-CB 3.39Å; A5-R8 PolarHBondContact O-N 3.32Å; L6-R8 VanDerWaalsContact C-N 3.33Å; R8-A10 VanDerWaalsContact C-N 3.29Å; R8-A10 PolarHBondContact O-N 3.48Å; R8-V11 PolarHBondContact O-N 3.12Å; R8-Q12 WeakPolarHBondContact O-CB 3.41Å; R8-Q12 PolarHBondContact O-N 3.39Å
9D73.4Confident76.4Confident49 Ų4957.7 Ų57.726%0.26229%0.285SS..Hα-helixtrans-54.4-48.1172.3-72.9-1.1000110.4A5 Q12 F13 A39A5-D9 PolarHBondContact O-N 3.32Å; D9-Q12 PolarHBondContact O-N 3.48Å; D9-F13 HydrophobicContact CB-CD2 4.33Å; D9-F13 HydrophobicContact CB-CE2 3.96Å; D9-F13 WeakPolarHBondContact O-CB 3.32Å; D9-F13 WeakPolarHBondContact O-CD2 3.41Å; D9-F13 VanDerWaalsContact O-CG 3.31Å; D9-F13 WeakPolarHBondContact O-CG 3.42Å; D9-F13 PolarHBondContact O-N 3.27Å; D9-A39 HydrophobicContact CB-CB 4.25Å
10A82.4Confident76.6Confident0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-61.3-45.8178.600000113.4L6 R8 Q12 A14 A39 L40L6-A10 WeakPolarHBondContact O-CB 3.36Å; L6-A10 PolarHBondContact O-N 2.93Å; R8-A10 VanDerWaalsContact C-N 3.29Å; R8-A10 PolarHBondContact O-N 3.48Å; A10-Q12 VanDerWaalsContact C-N 3.32Å; A10-Q12 PolarHBondContact O-N 2.81Å; A10-A14 WeakPolarHBondContact O-CB 3.35Å; A10-A14 PolarHBondContact O-N 3.12Å; A10-A39 HydrophobicContact CB-CB 3.75Å; A10-L40 HydrophobicContact CB-CB 4.41Å; A10-L40 HydrophobicContact CB-CD2 3.47Å; A10-L40 VanDerWaalsContact CB-CD2 3.47Å; A10-L40 HydrophobicContact CB-CG 3.71Å
11V83.4Confident77.1Confident64 Ų6455 Ų5539%0.38827%0.27SS..Hα-helixtrans-65.6-36.2176.1168.80000111.3E7 R8 R15E7-V11 VanDerWaalsContact O-CG2 3.32Å; E7-V11 WeakPolarHBondContact O-CG2 3.36Å; E7-V11 PolarHBondContact O-N 2.9Å; R8-V11 PolarHBondContact O-N 3.12Å; V11-R15 WeakPolarHBondContact O-CB 3.3Å; V11-R15 VanDerWaalsContact O-CG 3.24Å; V11-R15 WeakPolarHBondContact O-CG 3.4Å; V11-R15 PolarHBondContact O-N 2.73Å
12Q77.4Confident78.7Confident113 Ų11358.2 Ų58.253%0.52828%0.284SS..Hα-helixtrans-66.5-52.6175.4176.6168.7-27.900111.4R8 D9 A10 A14 R15 L16R8-Q12 WeakPolarHBondContact O-CB 3.41Å; R8-Q12 PolarHBondContact O-N 3.39Å; D9-Q12 PolarHBondContact O-N 3.48Å; A10-Q12 VanDerWaalsContact C-N 3.32Å; A10-Q12 PolarHBondContact O-N 2.81Å; Q12-A14 VanDerWaalsContact C-N 3.32Å; Q12-A14 PolarHBondContact O-N 3.1Å; Q12-R15 PolarHBondContact O-N 3.3Å; Q12-L16 HydrophobicContact CG-CD1 3.87Å; Q12-L16 WeakPolarHBondContact O-CD1 3.3Å; Q12-L16 WeakPolarHBondContact O-CG 3.22Å; Q12-L16 PolarHBondContact O-N 3.11Å
13F83.1Confident79.5Confident17 Ų1758.2 Ų58.28%0.07528%0.281CS..Hα-helixtrans-61-39.6176.3-63.6-43.4000111.7D9 L16 A17 Y32 E35 A36 A39 Y275D9-F13 HydrophobicContact CB-CD2 4.33Å; D9-F13 HydrophobicContact CB-CE2 3.96Å; D9-F13 WeakPolarHBondContact O-CB 3.32Å; D9-F13 WeakPolarHBondContact O-CD2 3.41Å; D9-F13 VanDerWaalsContact O-CG 3.31Å; D9-F13 WeakPolarHBondContact O-CG 3.42Å; D9-F13 PolarHBondContact O-N 3.27Å; F13-L16 PolarHBondContact O-N 2.75Å; F13-A17 WeakPolarHBondContact O-CB 3.02Å; F13-A17 PolarHBondContact O-N 3.45Å; F13-Y32 HydrophobicContact CD1-CD1 4.31Å; F13-E35 HydrophobicContact CD1-CB 4.41Å; F13-E35 HydrophobicContact CD2-CB 3.83Å; F13-E35 HydrophobicContact CE2-CB 4.07Å; F13-E35 HydrophobicContact CG-CB 4.03Å; F13-E35 HydrophobicContact CZ-CB 4.48Å; F13-A36 HydrophobicContact CB-CB 3.68Å; F13-A39 HydrophobicContact CD2-CB 4.12Å; F13-A39 HydrophobicContact CE2-CB 4.4Å; F13-Y275 HydrophobicContact CE1-CE1 4.17Å
14A85.8Confident79.7Confident8 Ų858.8 Ų58.87%0.06629%0.288CS..Hα-helixtrans-64.3-42.9177.200000112.8A10 Q12 L16 A17 V18 A36 Y60A10-A14 WeakPolarHBondContact O-CB 3.35Å; A10-A14 PolarHBondContact O-N 3.12Å; Q12-A14 VanDerWaalsContact C-N 3.32Å; Q12-A14 PolarHBondContact O-N 3.1Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3Å; A14-A17 WeakPolarHBondContact O-CB 3.36Å; A14-A17 PolarHBondContact O-N 3.42Å; A14-V18 WeakPolarHBondContact O-CG2 3.49Å; A14-V18 PolarHBondContact O-N 3.39Å; A14-A36 HydrophobicContact CB-CB 4.1Å; A14-Y60 HydrophobicContact CB-CE1 4.49Å; A14-Y60 HydrophobicContact CB-CE2 3.79Å; A14-Y60 VanDerWaalsContact CB-OH 3.3Å; A14-Y60 WeakPolarHBondContact CB-OH 3.45Å
15R85.3Confident79.8Confident183 Ų18358.7 Ų58.769%0.69128%0.279SS*.Hα-helixtrans-60.5-43.5173.9-76170.7179.6-178.21.6111.6V11 Q12 Q19V11-R15 WeakPolarHBondContact O-CB 3.3Å; V11-R15 VanDerWaalsContact O-CG 3.24Å; V11-R15 WeakPolarHBondContact O-CG 3.4Å; V11-R15 PolarHBondContact O-N 2.73Å; Q12-R15 PolarHBondContact O-N 3.3Å; R15-Q19 WeakPolarHBondContact O-CB 3.37Å; R15-Q19 PolarHBondContact O-N 2.82Å
16L79.1Confident80.3Confident28 Ų2860.1 Ų60.115%0.14728%0.278CS..Hα-helixtrans-67.3-37.1177.1-69.6160.6000111.8Q12 F13 A14 Q19 R20 Y32 Y275Q12-L16 HydrophobicContact CG-CD1 3.87Å; Q12-L16 WeakPolarHBondContact O-CD1 3.3Å; Q12-L16 WeakPolarHBondContact O-CG 3.22Å; Q12-L16 PolarHBondContact O-N 3.11Å; F13-L16 PolarHBondContact O-N 2.75Å; A14-L16 VanDerWaalsContact C-N 3.33Å; A14-L16 PolarHBondContact O-N 3Å; L16-Q19 PolarHBondContact O-N 2.85Å; L16-R20 WeakPolarHBondContact O-CB 3.25Å; L16-R20 VanDerWaalsContact O-CG 3.26Å; L16-R20 WeakPolarHBondContact O-CG 3.47Å; L16-R20 PolarHBondContact O-N 3.34Å; L16-Y32 HydrophobicContact CB-CD1 3.56Å; L16-Y32 HydrophobicContact CB-CD2 4.43Å; L16-Y32 HydrophobicContact CB-CE1 3.55Å; L16-Y32 HydrophobicContact CB-CE2 4.48Å; L16-Y32 HydrophobicContact CB-CG 4.02Å; L16-Y32 HydrophobicContact CD1-CD1 4.33Å; L16-Y32 HydrophobicContact CD1-CE1 3.82Å; L16-Y32 HydrophobicContact CG-CE1 4.2Å; L16-Y275 WeakPolarHBondContact CD1-OH 3.42Å
17A84.4Confident80Confident0 Ų063.6 Ų63.60%030%0.303CS..Hα-helixtrans-59.9-53.8174.300000111.4F13 A14 Q19 R20 D21 Y32 Y33F13-A17 WeakPolarHBondContact O-CB 3.02Å; F13-A17 PolarHBondContact O-N 3.45Å; A14-A17 WeakPolarHBondContact O-CB 3.36Å; A14-A17 PolarHBondContact O-N 3.42Å; A17-Q19 VanDerWaalsContact C-N 3.32Å; A17-Q19 PolarHBondContact O-N 3.42Å; A17-R20 PolarHBondContact O-N 3.1Å; A17-D21 WeakPolarHBondContact O-CB 3.47Å; A17-D21 PolarHBondContact O-N 2.96Å; A17-Y32 VanDerWaalsContact CA-CB 3.46Å; A17-Y32 VanDerWaalsContact CB-CB 3.46Å; A17-Y33 HydrophobicContact CB-CD1 3.53Å; A17-Y33 HydrophobicContact CB-CD2 3.67Å; A17-Y33 HydrophobicContact CB-CE1 3.6Å; A17-Y33 HydrophobicContact CB-CE2 3.72Å; A17-Y33 HydrophobicContact CB-CG 3.55Å
18V88Confident79.6Confident61 Ų6163.8 Ų63.837%0.3730%0.304SS..Hα-helixtrans-58.9-43177.5170.30000111.1A14 D21 H22 Y33A14-V18 WeakPolarHBondContact O-CG2 3.49Å; A14-V18 PolarHBondContact O-N 3.39Å; V18-D21 PolarHBondContact O-N 2.95Å; V18-H22 PolarHBondContact O-CD2 2.96Å; V18-H22 PolarHBondContact O-N 2.95Å; V18-Y33 HydrophobicContact CG2-CE1 4.36Å; V18-Y33 WeakPolarHBondContact CG2-OH 3.48Å
19Q84.3Confident79.7Confident86 Ų8656.7 Ų56.740%0.40228%0.277SS..Hα-helixtrans-59.2-50.5175.2179.3-178.7-5.200111.6R15 L16 A17 D21 H22 E23R15-Q19 WeakPolarHBondContact O-CB 3.37Å; R15-Q19 PolarHBondContact O-N 2.82Å; L16-Q19 PolarHBondContact O-N 2.85Å; A17-Q19 VanDerWaalsContact C-N 3.32Å; A17-Q19 PolarHBondContact O-N 3.42Å; Q19-D21 VanDerWaalsContact C-N 3.33Å; Q19-D21 PolarHBondContact O-N 2.98Å; Q19-H22 PolarHBondContact O-N 3.42Å; Q19-E23 HydrophobicContact CG-CG 4.47Å; Q19-E23 VanDerWaalsContact CG-OE1 3.25Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.22Å; Q19-E23 PolarHBondContact NE2-OE1 3.46Å; Q19-E23 WeakPolarHBondContact O-CB 3.42Å; Q19-E23 VanDerWaalsContact O-CG 3.31Å; Q19-E23 WeakPolarHBondContact O-CG 3.42Å; Q19-E23 PolarHBondContact O-N 3.45Å
20R81.9Confident79.7Confident42 Ų4254.8 Ų54.816%0.15827%0.267CS..Hα-helixtrans-71.3-28.6-176.3-62.9-65.3151.4976.5112.9L16 A17 E23 G24 R25 E28 A29 Y32L16-R20 WeakPolarHBondContact O-CB 3.25Å; L16-R20 VanDerWaalsContact O-CG 3.26Å; L16-R20 WeakPolarHBondContact O-CG 3.47Å; L16-R20 PolarHBondContact O-N 3.34Å; A17-R20 PolarHBondContact O-N 3.1Å; R20-E23 VanDerWaalsContact CD-OE2 3.3Å; R20-E23 WeakPolarHBondContact CD-OE2 3.49Å; R20-E23 IonicContact NE-OE2 2.74Å; R20-E23 PolarHBondContact NE-OE2 3.4Å; R20-G24 PolarHBondContact O-N 3.2Å; R20-R25 HydrophobicContact CB-CB 4.28Å; R20-R25 VanDerWaalsContact CD-CZ 3.42Å; R20-R25 WeakPolarHBondContact O-CA 3.38Å; R20-R25 PolarHBondContact O-N 3.22Å; R20-E28 HydrophobicContact CB-CB 4.22Å; R20-E28 WeakPolarHBondContact CD-OE2 3.48Å; R20-E28 HydrophobicContact CG-CB 4.24Å; R20-E28 IonicContact CZ-OE2 2.68Å; R20-E28 IonicContact NE-OE2 3.08Å; R20-E28 IonicContact NH1-OE2 2.66Å; R20-E28 PolarHBondContact NH1-OE2 3.33Å; R20-A29 HydrophobicContact CB-CB 4.06Å; R20-Y32 HydrophobicContact CB-CD2 4.41Å; R20-Y32 HydrophobicContact CG-CD2 3.99Å; R20-Y32 HydrophobicContact CG-CE2 3.72Å
21D86.1Confident79.3Confident16 Ų1656 Ų569%0.08627%0.272CS..Hα-helixtrans-64.5-50.3171.3-163.1-31000110.8A17 V18 Q19 E23 G24 A29 Y33 R63A17-D21 WeakPolarHBondContact O-CB 3.47Å; A17-D21 PolarHBondContact O-N 2.96Å; V18-D21 PolarHBondContact O-N 2.95Å; Q19-D21 VanDerWaalsContact C-N 3.33Å; Q19-D21 PolarHBondContact O-N 2.98Å; D21-E23 VanDerWaalsContact C-N 3.33Å; D21-E23 PolarHBondContact O-N 3.22Å; D21-G24 WeakPolarHBondContact O-CA 3.42Å; D21-G24 PolarHBondContact O-N 3.36Å; D21-A29 HydrophobicContact CB-CB 4.04Å; D21-Y33 HydrophobicContact CB-CE2 4.27Å; D21-R63 IonicContact OD1-CZ 3.47Å; D21-R63 IonicContact OD1-NH2 3.14Å; D21-R63 PolarHBondContact OD1-NH2 3.4Å; D21-R63 IonicContact OD2-CZ 2.73Å; D21-R63 IonicContact OD2-NE 3.28Å; D21-R63 PolarHBondContact OD2-NE 3.19Å; D21-R63 IonicContact OD2-NH2 3.76Å; D21-R63 PolarHBondContact OD2-NH2 3.46Å
22H85.6Confident78.9Confident161 Ų16153.2 Ų53.275%0.74526%0.255SS*.Hα-helixtrans-62.3-35.2174.5-75.6-55000113.6V18 Q19 G24V18-H22 PolarHBondContact O-CD2 2.96Å; V18-H22 PolarHBondContact O-N 2.95Å; Q19-H22 PolarHBondContact O-N 3.42Å; H22-G24 PolarHBondContact O-N 3.42Å
23E78.9Confident79Confident87 Ų8748.7 Ų48.741%0.40723%0.233SC..THydrogen-bonded Turntrans-73-1.8172.2-70172.4-172.200113.4Q19 R20 D21 R25Q19-E23 HydrophobicContact CG-CG 4.47Å; Q19-E23 VanDerWaalsContact CG-OE1 3.25Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.22Å; Q19-E23 PolarHBondContact NE2-OE1 3.46Å; Q19-E23 WeakPolarHBondContact O-CB 3.42Å; Q19-E23 VanDerWaalsContact O-CG 3.31Å; Q19-E23 WeakPolarHBondContact O-CG 3.42Å; Q19-E23 PolarHBondContact O-N 3.45Å; R20-E23 VanDerWaalsContact CD-OE2 3.3Å; R20-E23 WeakPolarHBondContact CD-OE2 3.49Å; R20-E23 IonicContact NE-OE2 2.74Å; R20-E23 PolarHBondContact NE-OE2 3.4Å; D21-E23 VanDerWaalsContact C-N 3.33Å; D21-E23 PolarHBondContact O-N 3.22Å; E23-R25 VanDerWaalsContact C-N 3.25Å; E23-R25 HydrophobicContact CB-CG 4.27Å; E23-R25 PolarHBondContact O-N 2.93Å; E23-R25 IonicContact OE2-CZ 2.97Å; E23-R25 IonicContact OE2-NE 3.44Å; E23-R25 PolarHBondContact OE2-NE 2.96Å; E23-R25 IonicContact OE2-NH2 3.48Å; E23-R25 PolarHBondContact OE2-NH2 3.16Å
24G73.8Confident78.6Confident24 Ų2452.1 Ų52.125%0.24725%0.248CC..THydrogen-bonded Turntrans77.73.5179.600000115.2R20 D21 H22 Y26R20-G24 PolarHBondContact O-N 3.2Å; D21-G24 WeakPolarHBondContact O-CA 3.42Å; D21-G24 PolarHBondContact O-N 3.36Å; H22-G24 PolarHBondContact O-N 3.42Å; G24-Y26 PolarHBondContact O-N 3.01Å
25R70.8Confident78Confident71 Ų7152.8 Ų52.827%0.26825%0.25SC..  trans-83.959.5-176.4-61.6-159.1-81.7172-24.4111.5R20 E23 S27 E28 A29 N270R20-R25 HydrophobicContact CB-CB 4.28Å; R20-R25 VanDerWaalsContact CD-CZ 3.42Å; R20-R25 WeakPolarHBondContact O-CA 3.38Å; R20-R25 PolarHBondContact O-N 3.22Å; E23-R25 VanDerWaalsContact C-N 3.25Å; E23-R25 HydrophobicContact CB-CG 4.27Å; E23-R25 PolarHBondContact O-N 2.93Å; E23-R25 IonicContact OE2-CZ 2.97Å; E23-R25 IonicContact OE2-NE 3.44Å; E23-R25 PolarHBondContact OE2-NE 2.96Å; E23-R25 IonicContact OE2-NH2 3.48Å; E23-R25 PolarHBondContact OE2-NH2 3.16Å; R25-S27 VanDerWaalsContact C-N 3.3Å; R25-S27 PolarHBondContact O-N 2.69Å; R25-E28 HydrophobicContact CB-CB 4.37Å; R25-E28 WeakPolarHBondContact CD-OE1 3.46Å; R25-E28 IonicContact CZ-OE1 3.61Å; R25-E28 IonicContact CZ-OE2 2.73Å; R25-E28 IonicContact NE-OE1 2.62Å; R25-E28 IonicContact NH1-OE1 2.64Å; R25-E28 PolarHBondContact NH1-OE1 3.14Å; R25-E28 IonicContact NH1-OE2 2.98Å; R25-E28 PolarHBondContact NH1-OE2 3.05Å; R25-E28 WeakPolarHBondContact O-CB 3.43Å; R25-E28 PolarHBondContact O-N 3.49Å; R25-A29 PolarHBondContact O-N 2.83Å; R25-N270 PolarHBondContact NH1-ND2 3.06Å; R25-N270 VanDerWaalsContact NH1-ND2 3.18Å
26Y76.5Confident77.8Confident62 Ų6244 Ų4424%0.24322%0.217CC..Hα-helixtrans-57.5-35-168.4-54.2-34000114.5G24 A29 V30 L67 A70 K74G24-Y26 PolarHBondContact O-N 3.01Å; Y26-A29 PolarHBondContact O-N 2.79Å; Y26-V30 WeakPolarHBondContact O-CB 3.48Å; Y26-V30 VanDerWaalsContact O-CG2 3.3Å; Y26-V30 WeakPolarHBondContact O-CG2 3.38Å; Y26-V30 PolarHBondContact O-N 2.78Å; Y26-L67 HydrophobicContact CD1-CD2 3.65Å; Y26-L67 HydrophobicContact CE1-CD2 4.29Å; Y26-L67 HydrophobicContact CG-CD2 3.96Å; Y26-A70 HydrophobicContact CD2-CB 3.94Å; Y26-A70 HydrophobicContact CE2-CB 4.19Å; Y26-K74 HydrophobicContact CD2-CD 4.11Å; Y26-K74 HydrophobicContact CE2-CD 3.96Å
27S66.1Low77.6Confident80 Ų8042.8 Ų42.856%0.55921%0.21SC*.Hα-helixtrans-65-38.3176.8-53.30000112.7R25 F31R25-S27 VanDerWaalsContact C-N 3.3Å; R25-S27 PolarHBondContact O-N 2.69Å; S27-F31 PolarHBondContact O-N 2.97Å
28E68.9Low76.8Confident38 Ų3845 Ų4518%0.17822%0.221CC..Hα-helixtrans-68.7-48.3171.9-66.4-174.8-140.600110R20 R25 V30 F31 Y32 N270R20-E28 HydrophobicContact CB-CB 4.22Å; R20-E28 WeakPolarHBondContact CD-OE2 3.48Å; R20-E28 HydrophobicContact CG-CB 4.24Å; R20-E28 IonicContact CZ-OE2 2.68Å; R20-E28 IonicContact NE-OE2 3.08Å; R20-E28 IonicContact NH1-OE2 2.66Å; R20-E28 PolarHBondContact NH1-OE2 3.33Å; R25-E28 HydrophobicContact CB-CB 4.37Å; R25-E28 WeakPolarHBondContact CD-OE1 3.46Å; R25-E28 IonicContact CZ-OE1 3.61Å; R25-E28 IonicContact CZ-OE2 2.73Å; R25-E28 IonicContact NE-OE1 2.62Å; R25-E28 IonicContact NH1-OE1 2.64Å; R25-E28 PolarHBondContact NH1-OE1 3.14Å; R25-E28 IonicContact NH1-OE2 2.98Å; R25-E28 PolarHBondContact NH1-OE2 3.05Å; R25-E28 WeakPolarHBondContact O-CB 3.43Å; R25-E28 PolarHBondContact O-N 3.49Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.01Å; E28-F31 WeakPolarHBondContact O-CA 3.27Å; E28-F31 WeakPolarHBondContact O-CB 3.44Å; E28-F31 PolarHBondContact O-N 3.5Å; E28-Y32 HydrophobicContact CB-CD2 4.32Å; E28-Y32 HydrophobicContact CB-CE2 4.05Å; E28-Y32 WeakPolarHBondContact O-CD2 3.49Å; E28-Y32 PolarHBondContact O-N 3.09Å; E28-N270 PolarHBondContact OE1-ND2 2.74Å
29A78.3Confident76Confident0 Ų042.3 Ų42.30%021%0.205CC..Hα-helixtrans-57-39.6179.500000112.9R20 D21 R25 Y26 F31 Y32 Y33 L67R20-A29 HydrophobicContact CB-CB 4.06Å; D21-A29 HydrophobicContact CB-CB 4.04Å; R25-A29 PolarHBondContact O-N 2.83Å; Y26-A29 PolarHBondContact O-N 2.79Å; A29-F31 VanDerWaalsContact C-N 3.32Å; A29-F31 PolarHBondContact O-N 3.4Å; A29-Y32 PolarHBondContact O-N 3.03Å; A29-Y33 HydrophobicContact CB-CD2 4.44Å; A29-Y33 HydrophobicContact CB-CE2 4.44Å; A29-Y33 WeakPolarHBondContact O-CD2 3.48Å; A29-Y33 PolarHBondContact O-N 2.98Å; A29-L67 HydrophobicContact CB-CD1 3.91Å
30V74.6Confident75.7Confident9 Ų938.7 Ų38.76%0.05519%0.188CC..Hα-helixtrans-59.1-39.6173.3159.20000112.4Y26 E28 K34 V64 L67 H68Y26-V30 WeakPolarHBondContact O-CB 3.48Å; Y26-V30 VanDerWaalsContact O-CG2 3.3Å; Y26-V30 WeakPolarHBondContact O-CG2 3.38Å; Y26-V30 PolarHBondContact O-N 2.78Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 3.01Å; V30-K34 VanDerWaalsContact O-CG 3.29Å; V30-K34 WeakPolarHBondContact O-CG 3.41Å; V30-K34 PolarHBondContact O-N 3.27Å; V30-V64 HydrophobicContact CG1-CG1 4.47Å; V30-L67 HydrophobicContact CG2-CB 3.41Å; V30-L67 VanDerWaalsContact CG2-CB 3.41Å; V30-L67 HydrophobicContact CG2-CD1 4.2Å; V30-L67 HydrophobicContact CG2-CG 4.48Å; V30-H68 WeakPolarHBondContact CG1-NE2 3.4Å
31F72.1Confident75.1Confident25 Ų2538.6 Ų38.611%0.1119%0.191CC..Hα-helixtrans-67.9-47.8174.9168.6-98.2000110.6S27 E28 A29 Y33 K34 E35 Y275 T276 N366S27-F31 PolarHBondContact O-N 2.97Å; E28-F31 WeakPolarHBondContact O-CA 3.27Å; E28-F31 WeakPolarHBondContact O-CB 3.44Å; E28-F31 PolarHBondContact O-N 3.5Å; A29-F31 VanDerWaalsContact C-N 3.32Å; A29-F31 PolarHBondContact O-N 3.4Å; F31-Y33 PolarHBondContact O-N 3.37Å; F31-K34 WeakPolarHBondContact O-CB 3.13Å; F31-K34 PolarHBondContact O-N 2.73Å; F31-E35 HydrophobicContact CD2-CG 4.2Å; F31-E35 HydrophobicContact CE1-CG 3.96Å; F31-E35 HydrophobicContact CE2-CG 3.58Å; F31-E35 HydrophobicContact CZ-CG 3.46Å; F31-E35 VanDerWaalsContact CZ-CG 3.46Å; F31-E35 PolarHBondContact O-N 3.48Å; F31-Y275 AromaticContact CE1-CD1 3.63Å; F31-Y275 HydrophobicContact CE1-CD1 3.63Å; F31-Y275 HydrophobicContact CE1-CE1 4.37Å; F31-Y275 HydrophobicContact CE1-CG 4.1Å; F31-Y275 HydrophobicContact CZ-CD1 4.24Å; F31-T276 HydrophobicContact CZ-CG2 3.87Å; F31-N366 WeakPolarHBondContact CD1-ND2 3Å; F31-N366 HydrophobicContact CD2-CB 3.84Å; F31-N366 VanDerWaalsContact CE1-ND2 3.32Å; F31-N366 WeakPolarHBondContact CE1-ND2 3.47Å; F31-N366 HydrophobicContact CE2-CB 3.67Å; F31-N366 HydrophobicContact CG-CB 4.43Å; F31-N366 HydrophobicContact CZ-CB 4.1Å; F31-N366 WeakPolarHBondContact CZ-ND2 3.32Å
32Y75.6Confident73.8Confident7 Ų739.6 Ų39.63%0.02719%0.193CC..Hα-helixtrans-63.2-42.6179.6-71.8-70.5000113.7F13 L16 A17 R20 E28 A29 K34 E35 A36 Y275F13-Y32 HydrophobicContact CD1-CD1 4.31Å; L16-Y32 HydrophobicContact CB-CD1 3.56Å; L16-Y32 HydrophobicContact CB-CD2 4.43Å; L16-Y32 HydrophobicContact CB-CE1 3.55Å; L16-Y32 HydrophobicContact CB-CE2 4.48Å; L16-Y32 HydrophobicContact CB-CG 4.02Å; L16-Y32 HydrophobicContact CD1-CD1 4.33Å; L16-Y32 HydrophobicContact CD1-CE1 3.82Å; L16-Y32 HydrophobicContact CG-CE1 4.2Å; A17-Y32 VanDerWaalsContact CA-CB 3.46Å; A17-Y32 VanDerWaalsContact CB-CB 3.46Å; R20-Y32 HydrophobicContact CB-CD2 4.41Å; R20-Y32 HydrophobicContact CG-CD2 3.99Å; R20-Y32 HydrophobicContact CG-CE2 3.72Å; E28-Y32 HydrophobicContact CB-CD2 4.32Å; E28-Y32 HydrophobicContact CB-CE2 4.05Å; E28-Y32 WeakPolarHBondContact O-CD2 3.49Å; E28-Y32 PolarHBondContact O-N 3.09Å; A29-Y32 PolarHBondContact O-N 3.03Å; Y32-K34 VanDerWaalsContact C-N 3.28Å; Y32-K34 PolarHBondContact O-N 2.9Å; Y32-E35 PolarHBondContact O-N 3.15Å; Y32-A36 WeakPolarHBondContact O-CB 3.43Å; Y32-A36 PolarHBondContact O-N 3.39Å; Y32-Y275 HydrophobicContact CD1-CE1 4.35Å; Y32-Y275 HydrophobicContact CE1-CD1 4.33Å; Y32-Y275 AromaticContact CE1-CE1 3.42Å; Y32-Y275 HydrophobicContact CE1-CE1 3.42Å; Y32-Y275 VanDerWaalsContact CE1-CE1 3.42Å; Y32-Y275 HydrophobicContact CE1-CE2 4.2Å; Y32-Y275 AromaticContact CE1-CZ 3.4Å; Y32-Y275 WeakPolarHBondContact CE1-OH 3.24Å; Y32-Y275 AromaticContact CZ-CE2 3.99Å; Y32-Y275 AromaticContact CZ-CZ 3.63Å; Y32-Y275 WeakPolarHBondContact OH-CE2 3.34Å; Y32-Y275 PolarHBondContact OH-OH 3.1Å; Y32-Y275 VanDerWaalsContact OH-OH 3.12Å
33Y79.9Confident72.9Confident18 Ų1831.9 Ų31.97%0.07116%0.158CC..Hα-helixtrans-65.9-31.5175.7-78.9-62.3000111.9A17 V18 D21 A29 F31 A37 Y60 R63 V64 L67A17-Y33 HydrophobicContact CB-CD1 3.53Å; A17-Y33 HydrophobicContact CB-CD2 3.67Å; A17-Y33 HydrophobicContact CB-CE1 3.6Å; A17-Y33 HydrophobicContact CB-CE2 3.72Å; A17-Y33 HydrophobicContact CB-CG 3.55Å; V18-Y33 HydrophobicContact CG2-CE1 4.36Å; V18-Y33 WeakPolarHBondContact CG2-OH 3.48Å; D21-Y33 HydrophobicContact CB-CE2 4.27Å; A29-Y33 HydrophobicContact CB-CD2 4.44Å; A29-Y33 HydrophobicContact CB-CE2 4.44Å; A29-Y33 WeakPolarHBondContact O-CD2 3.48Å; A29-Y33 PolarHBondContact O-N 2.98Å; F31-Y33 PolarHBondContact O-N 3.37Å; Y33-A37 WeakPolarHBondContact O-CB 3.32Å; Y33-A37 PolarHBondContact O-N 3.18Å; Y33-Y60 AromaticContact CD1-CD1 3.7Å; Y33-Y60 HydrophobicContact CD1-CD1 3.7Å; Y33-Y60 HydrophobicContact CD1-CE1 4.44Å; Y33-Y60 AromaticContact CD1-CG 3.82Å; Y33-Y60 HydrophobicContact CD1-CG 3.82Å; Y33-Y60 AromaticContact CE1-CD1 3.83Å; Y33-Y60 HydrophobicContact CE1-CD1 3.83Å; Y33-Y60 HydrophobicContact CE1-CE1 4.28Å; Y33-Y60 HydrophobicContact CE1-CG 4.42Å; Y33-R63 HydrophobicContact CD2-CB 4.45Å; Y33-R63 HydrophobicContact CD2-CG 3.91Å; Y33-R63 HydrophobicContact CE1-CG 4.34Å; Y33-R63 HydrophobicContact CE2-CB 4.45Å; Y33-R63 HydrophobicContact CE2-CG 3.55Å; Y33-R63 HydrophobicContact CG-CG 4.47Å; Y33-V64 VanDerWaalsContact CB-CG2 3.43Å; Y33-L67 HydrophobicContact CD2-CD1 3.76Å; Y33-L67 HydrophobicContact CE2-CD1 3.86Å
34K74.4Confident72.3Confident88 Ų8831.5 Ų31.538%0.38316%0.156SC..Hα-helixtrans-66.2-53.5170.8-77.4178.7178.7-172.20111.8V30 F31 Y32 A36 A37 Q38 V64 H68V30-K34 VanDerWaalsContact O-CG 3.29Å; V30-K34 WeakPolarHBondContact O-CG 3.41Å; V30-K34 PolarHBondContact O-N 3.27Å; F31-K34 WeakPolarHBondContact O-CB 3.13Å; F31-K34 PolarHBondContact O-N 2.73Å; Y32-K34 VanDerWaalsContact C-N 3.28Å; Y32-K34 PolarHBondContact O-N 2.9Å; K34-A36 VanDerWaalsContact C-N 3.28Å; K34-A36 PolarHBondContact O-N 3.19Å; K34-A37 PolarHBondContact O-N 3.39Å; K34-Q38 WeakPolarHBondContact O-CB 3.25Å; K34-Q38 PolarHBondContact O-N 3.5Å; K34-V64 HydrophobicContact CD-CG1 4.43Å; K34-V64 HydrophobicContact CG-CG1 4.04Å; K34-V64 HydrophobicContact CG-CG2 3.84Å; K34-H68 WeakPolarHBondContact CE-NE2 3.34Å; K34-H68 PolarHBondContact NZ-NE2 2.9Å
35E73.6Confident71.1Confident22 Ų2232.7 Ų32.710%0.10316%0.156CC..Hα-helixtrans-64.6-32.2178.6-64.2-64.711000111.7F13 F31 Y32 A39F13-E35 HydrophobicContact CD1-CB 4.41Å; F13-E35 HydrophobicContact CD2-CB 3.83Å; F13-E35 HydrophobicContact CE2-CB 4.07Å; F13-E35 HydrophobicContact CG-CB 4.03Å; F13-E35 HydrophobicContact CZ-CB 4.48Å; F31-E35 HydrophobicContact CD2-CG 4.2Å; F31-E35 HydrophobicContact CE1-CG 3.96Å; F31-E35 HydrophobicContact CE2-CG 3.58Å; F31-E35 HydrophobicContact CZ-CG 3.46Å; F31-E35 VanDerWaalsContact CZ-CG 3.46Å; F31-E35 PolarHBondContact O-N 3.48Å; Y32-E35 PolarHBondContact O-N 3.15Å; E35-A39 WeakPolarHBondContact O-CB 3.45Å; E35-A39 PolarHBondContact O-N 2.97Å
36A80.6Confident70.2Confident0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-68.3-47.6174.100000112.4F13 A14 Y32 K34 Q38 A39 L40 Y60F13-A36 HydrophobicContact CB-CB 3.68Å; A14-A36 HydrophobicContact CB-CB 4.1Å; Y32-A36 WeakPolarHBondContact O-CB 3.43Å; Y32-A36 PolarHBondContact O-N 3.39Å; K34-A36 VanDerWaalsContact C-N 3.28Å; K34-A36 PolarHBondContact O-N 3.19Å; A36-Q38 VanDerWaalsContact C-N 3.3Å; A36-Q38 PolarHBondContact O-N 3.06Å; A36-A39 PolarHBondContact O-N 3.02Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 2.85Å; A36-Y60 HydrophobicContact CB-CD2 3.78Å; A36-Y60 HydrophobicContact CB-CE2 3.92Å
37A76.1Confident69.4Low1 Ų131 Ų311%0.00818%0.176CC..Hα-helixtrans-60.7-44.417400000110.3Y33 K34 A39 L40 I41 Y60 L61Y33-A37 WeakPolarHBondContact O-CB 3.32Å; Y33-A37 PolarHBondContact O-N 3.18Å; K34-A37 PolarHBondContact O-N 3.39Å; A37-A39 PolarHBondContact O-N 2.98Å; A37-L40 PolarHBondContact O-N 3.25Å; A37-I41 WeakPolarHBondContact O-CB 3.48Å; A37-I41 WeakPolarHBondContact O-CG1 3.35Å; A37-I41 PolarHBondContact O-N 3.2Å; A37-Y60 HydrophobicContact CB-CD2 4.46Å; A37-L61 HydrophobicContact CB-CD2 3.96Å; A37-L61 HydrophobicContact CB-CG 3.94Å
38Q67.5Low69.8Low47 Ų4728.3 Ų28.322%0.2216%0.157CC..Hα-helixtrans-70.6-30.4-178.6-172.6159.1-14.600112.4K34 A36 I41 Y42K34-Q38 WeakPolarHBondContact O-CB 3.25Å; K34-Q38 PolarHBondContact O-N 3.5Å; A36-Q38 VanDerWaalsContact C-N 3.3Å; A36-Q38 PolarHBondContact O-N 3.06Å; Q38-I41 WeakPolarHBondContact O-CB 3.32Å; Q38-Y42 HydrophobicContact CG-CD2 4.08Å; Q38-Y42 HydrophobicContact CG-CE2 3.4Å; Q38-Y42 VanDerWaalsContact CG-CE2 3.4Å; Q38-Y42 PolarHBondContact NE2-OH 2.94Å; Q38-Y42 WeakPolarHBondContact O-CB 3.47Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.5Å; Q38-Y42 PolarHBondContact O-N 3.13Å
39A71.1Confident70.1Confident5 Ų531.9 Ų31.94%0.04119%0.186CC..Hα-helixtrans-75.7-37.8170.400000113.1D9 A10 F13 E35 A36 A37 I41 Y42 A43D9-A39 HydrophobicContact CB-CB 4.25Å; A10-A39 HydrophobicContact CB-CB 3.75Å; F13-A39 HydrophobicContact CD2-CB 4.12Å; F13-A39 HydrophobicContact CE2-CB 4.4Å; E35-A39 WeakPolarHBondContact O-CB 3.45Å; E35-A39 PolarHBondContact O-N 2.97Å; A36-A39 PolarHBondContact O-N 3.02Å; A37-A39 PolarHBondContact O-N 2.98Å; A39-I41 VanDerWaalsContact C-N 3.34Å; A39-Y42 CarbonylContact O-C 3.55Å; A39-Y42 WeakPolarHBondContact O-CA 3.47Å; A39-Y42 PolarHBondContact O-N 3.46Å; A39-Y42 VanDerWaalsContact O-N 3.16Å; A39-A43 WeakPolarHBondContact O-CB 3.29Å; A39-A43 PolarHBondContact O-N 3.09Å
40L77.5Confident70.1Confident9 Ų935.4 Ų35.45%0.04721%0.205CC..Hα-helixtrans-63.1-43170.3-76.8-175.2000111.1A10 A36 A37 A43 E44 L50 I53 K56 I57 Y60A10-L40 HydrophobicContact CB-CB 4.41Å; A10-L40 HydrophobicContact CB-CD2 3.47Å; A10-L40 VanDerWaalsContact CB-CD2 3.47Å; A10-L40 HydrophobicContact CB-CG 3.71Å; A36-L40 WeakPolarHBondContact O-CG 3.45Å; A36-L40 PolarHBondContact O-N 2.85Å; A37-L40 PolarHBondContact O-N 3.25Å; L40-A43 WeakPolarHBondContact O-CB 3.49Å; L40-A43 PolarHBondContact O-N 3.48Å; L40-E44 PolarHBondContact O-N 3.31Å; L40-L50 HydrophobicContact CD2-CD1 4.33Å; L40-I53 HydrophobicContact CB-CD1 4.38Å; L40-I53 HydrophobicContact CB-CG1 4.07Å; L40-I53 HydrophobicContact CD2-CD1 4.18Å; L40-I53 HydrophobicContact CD2-CG1 4.14Å; L40-I53 VanDerWaalsContact O-CD1 3.27Å; L40-I53 WeakPolarHBondContact O-CD1 3.3Å; L40-K56 HydrophobicContact CD1-CB 3.44Å; L40-K56 VanDerWaalsContact CD1-CB 3.44Å; L40-I57 HydrophobicContact CB-CD1 4.09Å; L40-I57 HydrophobicContact CB-CG1 3.52Å; L40-I57 HydrophobicContact CD1-CG1 4.2Å; L40-Y60 HydrophobicContact CD1-CD2 4Å; L40-Y60 HydrophobicContact CD1-CE2 3.53Å; L40-Y60 HydrophobicContact CG-CE2 4.32Å
41I68.6Low70Confident40 Ų4043.5 Ų43.521%0.20524%0.242CC..Hα-helixtrans-51.6-59.9167.2-72.7167.1000107.5A37 Q38 A39 A43 E44 M45 I57A37-I41 WeakPolarHBondContact O-CB 3.48Å; A37-I41 WeakPolarHBondContact O-CG1 3.35Å; A37-I41 PolarHBondContact O-N 3.2Å; Q38-I41 WeakPolarHBondContact O-CB 3.32Å; A39-I41 VanDerWaalsContact C-N 3.34Å; I41-A43 PolarHBondContact O-N 2.91Å; I41-A43 VanDerWaalsContact O-N 3.11Å; I41-E44 CarbonylContact O-C 3.51Å; I41-E44 WeakPolarHBondContact O-CA 3.32Å; I41-E44 WeakPolarHBondContact O-CB 3.31Å; I41-E44 PolarHBondContact O-N 3.33Å; I41-M45 VanDerWaalsContact C-CG 3.49Å; I41-M45 HydrophobicContact CG2-CE 3.46Å; I41-M45 VanDerWaalsContact CG2-CE 3.46Å; I41-M45 HydrophobicContact CG2-CG 3.78Å; I41-M45 HydrophobicContact CG2-SD 3.9Å; I41-M45 WeakPolarHBondContact O-CB 3.06Å; I41-M45 WeakPolarHBondContact O-CG 3.44Å; I41-M45 PolarHBondContact O-N 3.38Å; I41-I57 HydrophobicContact CB-CD1 4.36Å; I41-I57 HydrophobicContact CD1-CG2 3.84Å; I41-I57 HydrophobicContact CG1-CB 4.45Å; I41-I57 HydrophobicContact CG1-CD1 3.65Å; I41-I57 HydrophobicContact CG1-CG1 3.91Å; I41-I57 HydrophobicContact CG1-CG2 3.66Å
42Y59.1Low70.5Confident37 Ų3747.2 Ų47.215%0.14526%0.263CS..Hα-helixtrans-56.1-29.2-179.8-67.6-43000115.2M1 L6 Q38 A39 M45 A46 F280M1-Y42 HydrophobicContact CE-CD1 3.8Å; M1-Y42 HydrophobicContact CE-CG 4.06Å; L6-Y42 WeakPolarHBondContact CD1-O 3.5Å; Q38-Y42 HydrophobicContact CG-CD2 4.08Å; Q38-Y42 HydrophobicContact CG-CE2 3.4Å; Q38-Y42 VanDerWaalsContact CG-CE2 3.4Å; Q38-Y42 PolarHBondContact NE2-OH 2.94Å; Q38-Y42 WeakPolarHBondContact O-CB 3.47Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.5Å; Q38-Y42 PolarHBondContact O-N 3.13Å; A39-Y42 CarbonylContact O-C 3.55Å; A39-Y42 WeakPolarHBondContact O-CA 3.47Å; A39-Y42 PolarHBondContact O-N 3.46Å; A39-Y42 VanDerWaalsContact O-N 3.16Å; Y42-M45 HydrophobicContact CD1-CB 4.49Å; Y42-M45 HydrophobicContact CD1-CG 3.94Å; Y42-M45 HydrophobicContact CD1-SD 3.31Å; Y42-M45 WeakPolarHBondContact CD1-SD 3.5Å; Y42-M45 HydrophobicContact CE1-CE 4.48Å; Y42-M45 HydrophobicContact CE1-SD 3.45Å; Y42-M45 WeakPolarHBondContact CE1-SD 3.31Å; Y42-M45 WeakPolarHBondContact O-CB 3.3Å; Y42-A46 VanDerWaalsContact O-CB 3.3Å; Y42-A46 WeakPolarHBondContact O-CB 3.42Å; Y42-A46 PolarHBondContact O-N 3.23Å; Y42-A46 VanDerWaalsContact O-N 3.12Å; Y42-F280 HydrophobicContact CE1-CZ 4.16Å; Y42-F280 HydrophobicContact CE2-CD2 4.01Å; Y42-F280 HydrophobicContact CE2-CE1 4.43Å; Y42-F280 AromaticContact CE2-CE2 3.52Å; Y42-F280 HydrophobicContact CE2-CE2 3.52Å; Y42-F280 AromaticContact CE2-CZ 3.78Å; Y42-F280 HydrophobicContact CE2-CZ 3.78Å; Y42-F280 AromaticContact CZ-CE1 3.83Å; Y42-F280 AromaticContact CZ-CE2 3.7Å; Y42-F280 AromaticContact CZ-CZ 3.42Å; Y42-F280 VanDerWaalsContact CZ-CZ 3.42Å; Y42-F280 WeakPolarHBondContact OH-CD1 3.49Å; Y42-F280 WeakPolarHBondContact OH-CE1 3.31Å; Y42-F280 WeakPolarHBondContact OH-CZ 3.42Å
43A67.8Low70.7Confident0 Ų047.7 Ų47.70%027%0.266CS..Hα-helixtrans-70.2-48.7171.900000111.9L6 E7 A39 L40 I41 M45 A46 G47 S48 I53L6-A43 HydrophobicContact CB-CB 4.02Å; E7-A43 HydrophobicContact CG-CB 3.77Å; A39-A43 WeakPolarHBondContact O-CB 3.29Å; A39-A43 PolarHBondContact O-N 3.09Å; L40-A43 WeakPolarHBondContact O-CB 3.49Å; L40-A43 PolarHBondContact O-N 3.48Å; I41-A43 PolarHBondContact O-N 2.91Å; I41-A43 VanDerWaalsContact O-N 3.11Å; A43-M45 VanDerWaalsContact C-N 3.3Å; A43-M45 PolarHBondContact O-N 3.45Å; A43-A46 PolarHBondContact O-N 3.04Å; A43-G47 PolarHBondContact O-N 3.32Å; A43-S48 VanDerWaalsContact C-CB 3.42Å; A43-S48 WeakPolarHBondContact O-CB 3.13Å; A43-S48 PolarHBondContact O-N 3.43Å; A43-I53 HydrophobicContact CB-CD1 4.03Å
44E65Low70.3Confident79 Ų7951.3 Ų51.337%0.36928%0.283SS..Hα-helixtrans-57.5-44.1171.3-168-175.8-14500110.7L40 I41 A46 G47 I53 Q54L40-E44 PolarHBondContact O-N 3.31Å; I41-E44 CarbonylContact O-C 3.51Å; I41-E44 WeakPolarHBondContact O-CA 3.32Å; I41-E44 WeakPolarHBondContact O-CB 3.31Å; I41-E44 PolarHBondContact O-N 3.33Å; E44-A46 PolarHBondContact O-N 3.5Å; E44-A46 VanDerWaalsContact O-N 3.12Å; E44-G47 PolarHBondContact O-N 3.11Å; E44-G47 VanDerWaalsContact O-N 3.08Å; E44-I53 HydrophobicContact CB-CD1 4.1Å; E44-I53 HydrophobicContact CB-CG2 4.23Å; E44-I53 HydrophobicContact CG-CG2 4.08Å; E44-Q54 PolarHBondContact OE1-NE2 3.41Å; E44-Q54 PolarHBondContact OE2-NE2 3.31Å
45M50Low70.6Confident48 Ų4852.8 Ų52.824%0.23629%0.292CS..Hα-helixtrans-55.7-26.6174.1-56.8-146.6142.100113.2I41 Y42 A43 N506I41-M45 VanDerWaalsContact C-CG 3.49Å; I41-M45 HydrophobicContact CG2-CE 3.46Å; I41-M45 VanDerWaalsContact CG2-CE 3.46Å; I41-M45 HydrophobicContact CG2-CG 3.78Å; I41-M45 HydrophobicContact CG2-SD 3.9Å; I41-M45 WeakPolarHBondContact O-CB 3.06Å; I41-M45 WeakPolarHBondContact O-CG 3.44Å; I41-M45 PolarHBondContact O-N 3.38Å; Y42-M45 HydrophobicContact CD1-CB 4.49Å; Y42-M45 HydrophobicContact CD1-CG 3.94Å; Y42-M45 HydrophobicContact CD1-SD 3.31Å; Y42-M45 WeakPolarHBondContact CD1-SD 3.5Å; Y42-M45 HydrophobicContact CE1-CE 4.48Å; Y42-M45 HydrophobicContact CE1-SD 3.45Å; Y42-M45 WeakPolarHBondContact CE1-SD 3.31Å; Y42-M45 WeakPolarHBondContact O-CB 3.3Å; A43-M45 VanDerWaalsContact C-N 3.3Å; A43-M45 PolarHBondContact O-N 3.45Å; M45-N506 WeakPolarHBondContact CA-OD1 3.46Å; M45-N506 WeakPolarHBondContact CB-ND2 3.27Å; M45-N506 VanDerWaalsContact CB-OD1 3.25Å; M45-N506 WeakPolarHBondContact CB-OD1 3.07Å; M45-N506 WeakPolarHBondContact CE-O 3.44Å; M45-N506 WeakPolarHBondContact CE-OD1 3.45Å; M45-N506 VanDerWaalsContact CG-ND2 3.25Å; M45-N506 WeakPolarHBondContact CG-ND2 3Å; M45-N506 WeakPolarHBondContact CG-OD1 3.3Å; M45-N506 VanDerWaalsContact SD-CG 3.59Å; M45-N506 PolarHBondContact SD-ND2 2.93Å; M45-N506 PolarHBondContact SD-OD1 2.85Å; M45-N506 VanDerWaalsContact SD-OD1 3.41Å
46A51.4Low71.1Confident34 Ų3455.8 Ų55.828%0.28130%0.304SS..THydrogen-bonded Turntrans-99.1-2.9-177.100000113.8M1 A3 L6 Y42 A43 E44M1-A46 HydrophobicContact CB-CB 4.49Å; A3-A46 HydrophobicContact CB-CB 3.77Å; L6-A46 HydrophobicContact CD1-CB 4.22Å; Y42-A46 VanDerWaalsContact O-CB 3.3Å; Y42-A46 WeakPolarHBondContact O-CB 3.42Å; Y42-A46 PolarHBondContact O-N 3.23Å; Y42-A46 VanDerWaalsContact O-N 3.12Å; A43-A46 PolarHBondContact O-N 3.04Å; E44-A46 PolarHBondContact O-N 3.5Å; E44-A46 VanDerWaalsContact O-N 3.12Å
47G58.3Low71Confident63 Ų6356 Ų5665%0.64931%0.305SS*.THydrogen-bonded Turntrans91.429.3-17800000114.6A43 E44A43-G47 PolarHBondContact O-N 3.32Å; E44-G47 PolarHBondContact O-N 3.11Å; E44-G47 VanDerWaalsContact O-N 3.08Å
48S75.4Confident71.1Confident25 Ų2559 Ų5918%0.17532%0.323CS..  trans-50.4144.9170.6177.60000112.7E7 A43 L50E7-S48 WeakPolarHBondContact OE1-CA 3.44Å; E7-S48 WeakPolarHBondContact OE1-CB 3.28Å; E7-S48 PolarHBondContact OE1-OG 2.96Å; A43-S48 VanDerWaalsContact C-CB 3.42Å; A43-S48 WeakPolarHBondContact O-CB 3.13Å; A43-S48 PolarHBondContact O-N 3.43Å; S48-L50 WeakPolarHBondContact OG-CB 3.05Å; S48-L50 PolarHBondContact OG-N 2.95Å; S48-L50 VanDerWaalsContact OG-N 3.11Å
49S75.3Confident72.1Confident113 Ų11361 Ų6179%0.7933%0.333SS*.  trans-102.718.8172.167.10000113.2E51S49-E51 PolarHBondContact O-N 3Å
50L77.6Confident72.8Confident74 Ų7462.1 Ų62.139%0.38734%0.336SS..  trans-68120.2174-79.9176.9000111E7 L40 S48 I53E7-L50 HydrophobicContact CB-CD1 4.2Å; E7-L50 HydrophobicContact CG-CD1 3.73Å; E7-L50 HydrophobicContact CG-CG 4.21Å; L40-L50 HydrophobicContact CD2-CD1 4.33Å; S48-L50 WeakPolarHBondContact OG-CB 3.05Å; S48-L50 PolarHBondContact OG-N 2.95Å; S48-L50 VanDerWaalsContact OG-N 3.11Å; L50-I53 HydrophobicContact CB-CB 4.27Å; L50-I53 HydrophobicContact CB-CD1 4.16Å; L50-I53 HydrophobicContact CD1-CD1 4.23Å
51E74.2Confident72.9Confident178 Ų17864.6 Ų64.683%0.83235%0.35SS*.THydrogen-bonded Turntrans-62145.3168.9-61.7-176.616000110.5S49 I53S49-E51 PolarHBondContact O-N 3Å; E51-I53 PolarHBondContact O-N 3.28Å; E51-I53 VanDerWaalsContact O-N 3.09Å
52N81.7Confident73.6Confident103 Ų10368.6 Ų68.655%0.55137%0.367SS*.THydrogen-bonded Turntrans56.622.1177.2-60.618.9000116Q54 E55 K56N52-Q54 VanDerWaalsContact C-N 3.25Å; N52-Q54 PolarHBondContact O-N 3.12Å; N52-E55 HydrophobicContact CB-CB 4.38Å; N52-E55 HydrophobicContact CB-CG 4.24Å; N52-E55 WeakPolarHBondContact CB-OE2 3.16Å; N52-E55 PolarHBondContact ND2-OE2 3.3Å; N52-E55 WeakPolarHBondContact O-CB 2.95Å; N52-E55 PolarHBondContact O-N 3.3Å; N52-K56 PolarHBondContact O-N 3.39Å
53I80.3Confident74.9Confident17 Ų1771.7 Ų71.79%0.08738%0.379CS..Hα-helixtrans-53.8-39.3180-167.7156.4000113.4L40 A43 E44 L50 E51 E55 K56 I57L40-I53 HydrophobicContact CB-CD1 4.38Å; L40-I53 HydrophobicContact CB-CG1 4.07Å; L40-I53 HydrophobicContact CD2-CD1 4.18Å; L40-I53 HydrophobicContact CD2-CG1 4.14Å; L40-I53 VanDerWaalsContact O-CD1 3.27Å; L40-I53 WeakPolarHBondContact O-CD1 3.3Å; A43-I53 HydrophobicContact CB-CD1 4.03Å; E44-I53 HydrophobicContact CB-CD1 4.1Å; E44-I53 HydrophobicContact CB-CG2 4.23Å; E44-I53 HydrophobicContact CG-CG2 4.08Å; L50-I53 HydrophobicContact CB-CB 4.27Å; L50-I53 HydrophobicContact CB-CD1 4.16Å; L50-I53 HydrophobicContact CD1-CD1 4.23Å; E51-I53 PolarHBondContact O-N 3.28Å; E51-I53 VanDerWaalsContact O-N 3.09Å; I53-E55 PolarHBondContact O-N 3.47Å; I53-K56 PolarHBondContact O-N 3.03Å; I53-I57 HydrophobicContact CG1-CD1 4.14Å; I53-I57 WeakPolarHBondContact O-CD1 2.9Å; I53-I57 VanDerWaalsContact O-CG1 3.28Å; I53-I57 WeakPolarHBondContact O-CG1 3.05Å; I53-I57 PolarHBondContact O-N 3.5Å
54Q71.4Confident75.4Confident94 Ų9472.1 Ų72.144%0.43938%0.381SS..Hα-helixtrans-69.6-29.9179-15763.5-109.200113.5E44 N52 T58E44-Q54 PolarHBondContact OE1-NE2 3.41Å; E44-Q54 PolarHBondContact OE2-NE2 3.31Å; N52-Q54 VanDerWaalsContact C-N 3.25Å; N52-Q54 PolarHBondContact O-N 3.12Å; Q54-T58 PolarHBondContact O-N 3.15Å; Q54-T58 VanDerWaalsContact O-N 3.14Å; Q54-T58 PolarHBondContact O-OG1 2.95Å
55E79.7Confident75.9Confident120 Ų12075.2 Ų75.256%0.56140%0.396SS*.Hα-helixtrans-68-43.6172.3-57-174.8154.800109.9N52 I53 T58 E59N52-E55 HydrophobicContact CB-CB 4.38Å; N52-E55 HydrophobicContact CB-CG 4.24Å; N52-E55 WeakPolarHBondContact CB-OE2 3.16Å; N52-E55 PolarHBondContact ND2-OE2 3.3Å; N52-E55 WeakPolarHBondContact O-CB 2.95Å; N52-E55 PolarHBondContact O-N 3.3Å; I53-E55 PolarHBondContact O-N 3.47Å; E55-T58 WeakPolarHBondContact O-CB 3.31Å; E55-T58 PolarHBondContact O-N 2.95Å; E55-E59 WeakPolarHBondContact O-CB 3.32Å; E55-E59 PolarHBondContact O-N 2.66Å
56K84.3Confident77.4Confident85 Ų8575.4 Ų75.437%0.3741%0.405SS..Hα-helixtrans-67.3-35.9177.6-74.4-69.9173.3-155.30113.8L40 N52 I53 T58 E59 Y60L40-K56 HydrophobicContact CD1-CB 3.44Å; L40-K56 VanDerWaalsContact CD1-CB 3.44Å; N52-K56 PolarHBondContact O-N 3.39Å; I53-K56 PolarHBondContact O-N 3.03Å; K56-T58 VanDerWaalsContact C-N 3.31Å; K56-E59 IonicContact NZ-OE1 3.85Å; K56-E59 PolarHBondContact NZ-OE1 2.58Å; K56-E59 IonicContact NZ-OE2 3.99Å; K56-E59 PolarHBondContact NZ-OE2 3.28Å; K56-Y60 HydrophobicContact CD-CE1 4.26Å; K56-Y60 WeakPolarHBondContact O-CD2 3.16Å; K56-Y60 PolarHBondContact O-N 2.82Å; K56-Y60 VanDerWaalsContact O-N 3.13Å
57I78.8Confident78.7Confident4 Ų474 Ų742%0.02139%0.393CS..Hα-helixtrans-59.1-45.9170.1-69.1161000110.1L40 I41 I53 L61L40-I57 HydrophobicContact CB-CD1 4.09Å; L40-I57 HydrophobicContact CB-CG1 3.52Å; L40-I57 HydrophobicContact CD1-CG1 4.2Å; I41-I57 HydrophobicContact CB-CD1 4.36Å; I41-I57 HydrophobicContact CD1-CG2 3.84Å; I41-I57 HydrophobicContact CG1-CB 4.45Å; I41-I57 HydrophobicContact CG1-CD1 3.65Å; I41-I57 HydrophobicContact CG1-CG1 3.91Å; I41-I57 HydrophobicContact CG1-CG2 3.66Å; I53-I57 HydrophobicContact CG1-CD1 4.14Å; I53-I57 WeakPolarHBondContact O-CD1 2.9Å; I53-I57 VanDerWaalsContact O-CG1 3.28Å; I53-I57 WeakPolarHBondContact O-CG1 3.05Å; I53-I57 PolarHBondContact O-N 3.5Å; I57-L61 HydrophobicContact CG2-CD1 3.98Å; I57-L61 VanDerWaalsContact O-CG 3.31Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3Å; I57-L61 VanDerWaalsContact O-N 3.12Å
58T78.9Confident79.2Confident63 Ų6375.1 Ų75.139%0.38738%0.381SS..Hα-helixtrans-65.2-49179.9-54.70000111.5Q54 E55 K56 Y60 L61 E62Q54-T58 PolarHBondContact O-N 3.15Å; Q54-T58 VanDerWaalsContact O-N 3.14Å; Q54-T58 PolarHBondContact O-OG1 2.95Å; E55-T58 WeakPolarHBondContact O-CB 3.31Å; E55-T58 PolarHBondContact O-N 2.95Å; K56-T58 VanDerWaalsContact C-N 3.31Å; T58-Y60 VanDerWaalsContact C-N 3.31Å; T58-Y60 PolarHBondContact O-N 2.75Å; T58-L61 PolarHBondContact O-N 3.24Å; T58-L61 VanDerWaalsContact O-N 3.12Å; T58-E62 HydrophobicContact CG2-CG 4.32Å; T58-E62 WeakPolarHBondContact O-CG 3.25Å; T58-E62 PolarHBondContact O-N 2.88Å
59E87.3Confident78.7Confident90 Ų9077.8 Ų77.842%0.42140%0.399SS..Hα-helixtrans-51.1-46.7176.1177.3-177.3127.100112.3E55 K56 R63E55-E59 WeakPolarHBondContact O-CB 3.32Å; E55-E59 PolarHBondContact O-N 2.66Å; K56-E59 IonicContact NZ-OE1 3.85Å; K56-E59 PolarHBondContact NZ-OE1 2.58Å; K56-E59 IonicContact NZ-OE2 3.99Å; K56-E59 PolarHBondContact NZ-OE2 3.28Å; E59-R63 WeakPolarHBondContact O-CB 3.32Å; E59-R63 PolarHBondContact O-N 2.81Å
60Y86.9Confident78.1Confident28 Ų2873.7 Ų73.711%0.1137%0.372CS..Hα-helixtrans-70.9-37.3-179.9-62.7-11000112.2A14 Y33 A36 A37 L40 K56 T58 R63 V64A14-Y60 HydrophobicContact CB-CE1 4.49Å; A14-Y60 HydrophobicContact CB-CE2 3.79Å; A14-Y60 VanDerWaalsContact CB-OH 3.3Å; A14-Y60 WeakPolarHBondContact CB-OH 3.45Å; Y33-Y60 AromaticContact CD1-CD1 3.7Å; Y33-Y60 HydrophobicContact CD1-CD1 3.7Å; Y33-Y60 HydrophobicContact CD1-CE1 4.44Å; Y33-Y60 AromaticContact CD1-CG 3.82Å; Y33-Y60 HydrophobicContact CD1-CG 3.82Å; Y33-Y60 AromaticContact CE1-CD1 3.83Å; Y33-Y60 HydrophobicContact CE1-CD1 3.83Å; Y33-Y60 HydrophobicContact CE1-CE1 4.28Å; Y33-Y60 HydrophobicContact CE1-CG 4.42Å; A36-Y60 HydrophobicContact CB-CD2 3.78Å; A36-Y60 HydrophobicContact CB-CE2 3.92Å; A37-Y60 HydrophobicContact CB-CD2 4.46Å; L40-Y60 HydrophobicContact CD1-CD2 4Å; L40-Y60 HydrophobicContact CD1-CE2 3.53Å; L40-Y60 HydrophobicContact CG-CE2 4.32Å; K56-Y60 HydrophobicContact CD-CE1 4.26Å; K56-Y60 WeakPolarHBondContact O-CD2 3.16Å; K56-Y60 PolarHBondContact O-N 2.82Å; K56-Y60 VanDerWaalsContact O-N 3.13Å; T58-Y60 VanDerWaalsContact C-N 3.31Å; T58-Y60 PolarHBondContact O-N 2.75Å; Y60-R63 PolarHBondContact O-N 2.79Å; Y60-V64 VanDerWaalsContact O-CG2 3.25Å; Y60-V64 WeakPolarHBondContact O-CG2 3.45Å; Y60-V64 PolarHBondContact O-N 2.73Å
61L78.9Confident77.4Confident62 Ų6272 Ų7233%0.32537%0.366SS..Hα-helixtrans-70.9-36.3176.8-69.4174.4000112.9A37 I57 T58 V64 Q65A37-L61 HydrophobicContact CB-CD2 3.96Å; A37-L61 HydrophobicContact CB-CG 3.94Å; I57-L61 HydrophobicContact CG2-CD1 3.98Å; I57-L61 VanDerWaalsContact O-CG 3.31Å; I57-L61 WeakPolarHBondContact O-CG 3.49Å; I57-L61 PolarHBondContact O-N 3Å; I57-L61 VanDerWaalsContact O-N 3.12Å; T58-L61 PolarHBondContact O-N 3.24Å; T58-L61 VanDerWaalsContact O-N 3.12Å; L61-V64 WeakPolarHBondContact O-CB 3.26Å; L61-V64 PolarHBondContact O-N 3.19Å; L61-Q65 PolarHBondContact O-N 3.34Å; L61-Q65 VanDerWaalsContact O-N 3.15Å
62E82.6Confident76.4Confident124 Ų12471.5 Ų71.558%0.57936%0.363SS*.Hα-helixtrans-67.3-41.8171.6-71.1-175.4168.600111.1T58 V64 Q65 A66T58-E62 HydrophobicContact CG2-CG 4.32Å; T58-E62 WeakPolarHBondContact O-CG 3.25Å; T58-E62 PolarHBondContact O-N 2.88Å; E62-V64 VanDerWaalsContact C-N 3.3Å; E62-V64 PolarHBondContact O-N 3.08Å; E62-Q65 PolarHBondContact O-N 2.72Å; E62-Q65 VanDerWaalsContact O-N 3.09Å; E62-A66 PolarHBondContact O-N 2.87Å
63R86.1Confident74.8Confident102 Ų10271.2 Ų71.239%0.38537%0.369SS..Hα-helixtrans-62.1-37.6174.3-169.459.8179.3178.95112D21 Y33 E59 Y60 Q65 A66 L67D21-R63 IonicContact OD1-CZ 3.47Å; D21-R63 IonicContact OD1-NH2 3.14Å; D21-R63 PolarHBondContact OD1-NH2 3.4Å; D21-R63 IonicContact OD2-CZ 2.73Å; D21-R63 IonicContact OD2-NE 3.28Å; D21-R63 PolarHBondContact OD2-NE 3.19Å; D21-R63 IonicContact OD2-NH2 3.76Å; D21-R63 PolarHBondContact OD2-NH2 3.46Å; Y33-R63 HydrophobicContact CD2-CB 4.45Å; Y33-R63 HydrophobicContact CD2-CG 3.91Å; Y33-R63 HydrophobicContact CE1-CG 4.34Å; Y33-R63 HydrophobicContact CE2-CB 4.45Å; Y33-R63 HydrophobicContact CE2-CG 3.55Å; Y33-R63 HydrophobicContact CG-CG 4.47Å; E59-R63 WeakPolarHBondContact O-CB 3.32Å; E59-R63 PolarHBondContact O-N 2.81Å; Y60-R63 PolarHBondContact O-N 2.79Å; R63-Q65 PolarHBondContact O-N 3.04Å; R63-A66 PolarHBondContact O-N 3.38Å; R63-L67 HydrophobicContact CG-CD1 4.05Å; R63-L67 HydrophobicContact CG-CG 4.35Å; R63-L67 WeakPolarHBondContact O-CB 3.5Å; R63-L67 VanDerWaalsContact O-CG 3.27Å; R63-L67 WeakPolarHBondContact O-CG 3.11Å; R63-L67 PolarHBondContact O-N 3.07Å
64V78.7Confident73.3Confident9 Ų975.7 Ų75.76%0.05539%0.388CS..Hα-helixtrans-58.1-44.21711630000111.7V30 Y33 K34 Y60 L61 E62 L67 H68V30-V64 HydrophobicContact CG1-CG1 4.47Å; Y33-V64 VanDerWaalsContact CB-CG2 3.43Å; K34-V64 HydrophobicContact CD-CG1 4.43Å; K34-V64 HydrophobicContact CG-CG1 4.04Å; K34-V64 HydrophobicContact CG-CG2 3.84Å; Y60-V64 VanDerWaalsContact O-CG2 3.25Å; Y60-V64 WeakPolarHBondContact O-CG2 3.45Å; Y60-V64 PolarHBondContact O-N 2.73Å; L61-V64 WeakPolarHBondContact O-CB 3.26Å; L61-V64 PolarHBondContact O-N 3.19Å; E62-V64 VanDerWaalsContact C-N 3.3Å; E62-V64 PolarHBondContact O-N 3.08Å; V64-L67 PolarHBondContact O-N 3.21Å; V64-H68 PolarHBondContact O-CD2 3.17Å; V64-H68 VanDerWaalsContact O-CD2 3.24Å; V64-H68 PolarHBondContact O-N 3.28Å
65Q76.9Confident72.2Confident143 Ų14376.6 Ų76.667%0.66840%0.404SS*.Hα-helixtrans-66.6-43.2177.8-70.6-174.5-10.400112.3L61 E62 R63 L67 H68 S69L61-Q65 PolarHBondContact O-N 3.34Å; L61-Q65 VanDerWaalsContact O-N 3.15Å; E62-Q65 PolarHBondContact O-N 2.72Å; E62-Q65 VanDerWaalsContact O-N 3.09Å; R63-Q65 PolarHBondContact O-N 3.04Å; Q65-L67 PolarHBondContact O-N 3.43Å; Q65-H68 PolarHBondContact O-N 3.39Å; Q65-S69 PolarHBondContact O-N 3.41Å; Q65-S69 PolarHBondContact O-OG 3.48Å
66A80.8Confident71Confident53 Ų5375.3 Ų75.344%0.43842%0.415SS..Hα-helixtrans-60.7-43.8175.500000112E62 R63 S69 A70E62-A66 PolarHBondContact O-N 2.87Å; R63-A66 PolarHBondContact O-N 3.38Å; A66-S69 PolarHBondContact O-N 2.95Å; A66-A70 PolarHBondContact O-N 3.27Å
67L79.6Confident69.8Low5 Ų577 Ų773%0.02643%0.427CS..Hα-helixtrans-71.1-32.3178-69.2173.3000113Y26 A29 V30 Y33 R63 V64 Q65 S69 A70 V71Y26-L67 HydrophobicContact CD1-CD2 3.65Å; Y26-L67 HydrophobicContact CE1-CD2 4.29Å; Y26-L67 HydrophobicContact CG-CD2 3.96Å; A29-L67 HydrophobicContact CB-CD1 3.91Å; V30-L67 HydrophobicContact CG2-CB 3.41Å; V30-L67 VanDerWaalsContact CG2-CB 3.41Å; V30-L67 HydrophobicContact CG2-CD1 4.2Å; V30-L67 HydrophobicContact CG2-CG 4.48Å; Y33-L67 HydrophobicContact CD2-CD1 3.76Å; Y33-L67 HydrophobicContact CE2-CD1 3.86Å; R63-L67 HydrophobicContact CG-CD1 4.05Å; R63-L67 HydrophobicContact CG-CG 4.35Å; R63-L67 WeakPolarHBondContact O-CB 3.5Å; R63-L67 VanDerWaalsContact O-CG 3.27Å; R63-L67 WeakPolarHBondContact O-CG 3.11Å; R63-L67 PolarHBondContact O-N 3.07Å; V64-L67 PolarHBondContact O-N 3.21Å; Q65-L67 PolarHBondContact O-N 3.43Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-S69 PolarHBondContact O-N 2.98Å; L67-A70 CarbonylContact O-C 3.52Å; L67-A70 WeakPolarHBondContact O-CB 3.11Å; L67-A70 PolarHBondContact O-N 3.4Å; L67-A70 VanDerWaalsContact O-N 3.1Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 2.98Å
68H68.2Low69.5Low86 Ų8682.2 Ų82.240%0.39846%0.462SS..Hα-helixtrans-58.2-43.7172.2-97.7-71.1000111.7V30 K34 V64 Q65 A70 V71 Q72V30-H68 WeakPolarHBondContact CG1-NE2 3.4Å; K34-H68 WeakPolarHBondContact CE-NE2 3.34Å; K34-H68 PolarHBondContact NZ-NE2 2.9Å; V64-H68 PolarHBondContact O-CD2 3.17Å; V64-H68 VanDerWaalsContact O-CD2 3.24Å; V64-H68 PolarHBondContact O-N 3.28Å; Q65-H68 PolarHBondContact O-N 3.39Å; H68-A70 VanDerWaalsContact C-N 3.29Å; H68-A70 PolarHBondContact O-N 3.03Å; H68-V71 PolarHBondContact O-N 2.8Å; H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.17Å
69S63.7Low69.7Low80 Ų8083.4 Ų83.456%0.55947%0.465SS*.Hα-helixtrans-63.1-33.6174.6-55.70000112.8Q65 A66 L67 S73Q65-S69 PolarHBondContact O-N 3.41Å; Q65-S69 PolarHBondContact O-OG 3.48Å; A66-S69 PolarHBondContact O-N 2.95Å; L67-S69 VanDerWaalsContact C-N 3.31Å; L67-S69 PolarHBondContact O-N 2.98Å; S69-S73 PolarHBondContact O-OG 3.24Å
70A64.2Low69.6Low27 Ų2781.2 Ų81.222%0.22345%0.454CS..Hα-helixtrans-76-31.9175.100000113.4Y26 A66 L67 H68 S73 K74Y26-A70 HydrophobicContact CD2-CB 3.94Å; Y26-A70 HydrophobicContact CE2-CB 4.19Å; A66-A70 PolarHBondContact O-N 3.27Å; L67-A70 CarbonylContact O-C 3.52Å; L67-A70 WeakPolarHBondContact O-CB 3.11Å; L67-A70 PolarHBondContact O-N 3.4Å; L67-A70 VanDerWaalsContact O-N 3.1Å; H68-A70 VanDerWaalsContact C-N 3.29Å; H68-A70 PolarHBondContact O-N 3.03Å; A70-S73 WeakPolarHBondContact CA-OG 3.35Å; A70-S73 PolarHBondContact O-N 2.89Å; A70-S73 PolarHBondContact O-OG 2.72Å; A70-K74 PolarHBondContact O-N 2.62Å
71V61.9Low69.7Low40 Ų4082.4 Ų82.424%0.24247%0.467CS..Hα-helixtrans-72.1-38.1174.5169.90000111L67 H68 S73 K74L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 2.98Å; H68-V71 PolarHBondContact O-N 2.8Å; V71-S73 PolarHBondContact O-N 3.27Å; V71-K74 VanDerWaalsContact O-O 3.11Å
72Q53.8Low70.1Confident167 Ų16784.4 Ų84.478%0.7847%0.473SS*.THydrogen-bonded Turntrans-68.1-15.9175.5-72.7-177.5-0.900114H68H68-Q72 WeakPolarHBondContact O-CG 3.4Å; H68-Q72 PolarHBondContact O-N 3.17Å
73S48.8Very low70.5Confident96 Ų9680.5 Ų80.567%0.67146%0.455SS*.THydrogen-bonded Turntrans-106.9-7.3-178.146.30000114.6S69 A70 V71S69-S73 PolarHBondContact O-OG 3.24Å; A70-S73 WeakPolarHBondContact CA-OG 3.35Å; A70-S73 PolarHBondContact O-N 2.89Å; A70-S73 PolarHBondContact O-OG 2.72Å; V71-S73 PolarHBondContact O-N 3.27Å
74K47.8Very low70.6Confident112 Ų11279.4 Ų79.449%0.48745%0.454SS..SBendtrans-101.5132.9165.6-78.2-175.8173.7178.40110.2Y26 A70 V71Y26-K74 HydrophobicContact CD2-CD 4.11Å; Y26-K74 HydrophobicContact CE2-CD 3.96Å; A70-K74 PolarHBondContact O-N 2.62Å; V71-K74 VanDerWaalsContact O-O 3.11Å
75S47.4Very low71.1Confident112 Ų11279.9 Ų79.978%0.78346%0.456SS*.PPolyproline II helixtrans-58.9142.4158.853.70000109.4
76A56.3Low71.8Confident94 Ų9473.4 Ų73.478%0.77743%0.426SS*.PPolyproline II helixtrans-54.9145.5173.200000111.1
77D59.3Low72.3Confident120 Ų12071.5 Ų71.564%0.64241%0.408SS*.PPolyproline II helixtrans-55.5138174.8-68.5-48.1000110L79D77-L79 PolarHBondContact O-N 3.06Å
78P71.4Confident72.9Confident114 Ų11474.4 Ų74.474%0.7442%0.422SS*.PPolyproline II helixtrans-58.7140.1179.825-34000110.5N269P78-N269 PolarHBondContact O-ND2 2.82Å
79L83.3Confident74.1Confident88 Ų8870.9 Ų70.946%0.46141%0.405SS..PPolyproline II helixtrans-62.9145.1179.7-69.4173000111.2D77 S81 D266 N269D77-L79 PolarHBondContact O-N 3.06Å; L79-S81 PolarHBondContact O-N 2.96Å; L79-D266 WeakPolarHBondContact CD1-O 3.44Å; L79-N269 VanDerWaalsContact CA-OD1 3.28Å; L79-N269 WeakPolarHBondContact CA-OD1 3.47Å
80K85Confident75.4Confident44 Ų4467 Ų6719%0.19138%0.378CS..PPolyproline II helixtrans-47.6130.4174.4-79.3167.6173.7173.50110.9Q84 L85 E88 N269K80-Q84 HydrophobicContact CB-CB 4.31Å; K80-Q84 HydrophobicContact CG-CB 4.46Å; K80-L85 HydrophobicContact CB-CD1 4.42Å; K80-L85 HydrophobicContact CB-CD2 3.78Å; K80-L85 HydrophobicContact CB-CG 3.91Å; K80-L85 HydrophobicContact CD-CD2 3.75Å; K80-L85 HydrophobicContact CG-CD2 4.43Å; K80-E88 WeakPolarHBondContact CE-OE1 3.33Å; K80-E88 IonicContact NZ-OE1 3.19Å; K80-E88 PolarHBondContact NZ-OE1 3.4Å; K80-E88 IonicContact NZ-OE2 3.33Å; K80-E88 PolarHBondContact NZ-OE2 3.14Å; K80-N269 WeakPolarHBondContact CE-O 3.46Å; K80-N269 PolarHBondContact N-OD1 3.31Å; K80-N269 PolarHBondContact NZ-O 3Å
81S88.4Confident76.8Confident53 Ų5370 Ų7037%0.37139%0.387SS..PPolyproline II helixtrans-65.9154.2172.165.50000111.2L79 H83 Q84 L85L79-S81 PolarHBondContact O-N 2.96Å; S81-H83 PolarHBondContact O-N 3.15Å; S81-H83 VanDerWaalsContact O-N 3.08Å; S81-Q84 WeakPolarHBondContact O-CB 3.4Å; S81-Q84 PolarHBondContact O-N 3.01Å; S81-Q84 PolarHBondContact OG-OE1 3.41Å; S81-L85 PolarHBondContact O-N 2.69Å; S81-L85 VanDerWaalsContact O-N 3.17Å
82K88.4Confident78.2Confident104 Ų10469 Ų6945%0.45238%0.379SS..Hα-helixtrans-43.2-46.5174.6-176.2-152.1163.5-169.60112.3Q84 L85 D86 E126K82-Q84 VanDerWaalsContact C-N 3.29Å; K82-Q84 PolarHBondContact O-N 2.92Å; K82-L85 PolarHBondContact O-N 3.04Å; K82-L85 VanDerWaalsContact O-N 3.17Å; K82-D86 VanDerWaalsContact CE-OD2 3.32Å; K82-D86 WeakPolarHBondContact CE-OD2 3.26Å; K82-D86 IonicContact NZ-OD2 2.66Å; K82-D86 WeakPolarHBondContact O-CB 3.49Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 2.68Å; K82-E126 IonicContact NZ-OE1 3.48Å; K82-E126 IonicContact NZ-OE2 3.6Å; K82-E126 PolarHBondContact NZ-OE2 3Å
83H90.6Very high80Confident42 Ų4261 Ų6119%0.19434%0.342CS..Hα-helixtrans-68.1-25.9-176.5-51.7148.7000113.6S81 L87 T123 E126 T127 L132S81-H83 PolarHBondContact O-N 3.15Å; S81-H83 VanDerWaalsContact O-N 3.08Å; H83-L87 PolarHBondContact O-N 2.72Å; H83-T123 HydrophobicContact CB-CG2 3.65Å; H83-E126 PolarHBondContact CE1-O 3.12Å; H83-E126 IonicContact NE2-OE2 2.72Å; H83-T127 WeakPolarHBondContact ND1-CB 3.36Å; H83-T127 PolarHBondContact ND1-OG1 2.98Å; H83-L132 HydrophobicContact CB-CD2 3.42Å; H83-L132 VanDerWaalsContact CB-CD2 3.42Å
84Q89Confident82.1Confident79 Ų7957.8 Ų57.837%0.36932%0.318SS..Hα-helixtrans-76.4-38.3172.9-70.3161.4-55.800110.8K80 S81 K82 L87 E88 L132K80-Q84 HydrophobicContact CB-CB 4.31Å; K80-Q84 HydrophobicContact CG-CB 4.46Å; S81-Q84 WeakPolarHBondContact O-CB 3.4Å; S81-Q84 PolarHBondContact O-N 3.01Å; S81-Q84 PolarHBondContact OG-OE1 3.41Å; K82-Q84 VanDerWaalsContact C-N 3.29Å; K82-Q84 PolarHBondContact O-N 2.92Å; Q84-L87 WeakPolarHBondContact O-CB 3.33Å; Q84-L87 PolarHBondContact O-N 2.89Å; Q84-E88 PolarHBondContact O-N 3.36Å; Q84-L132 HydrophobicContact CG-CD1 4Å; Q84-L132 HydrophobicContact CG-CD2 4.21Å
85L89.3Confident84.2Confident19 Ų1955.8 Ų55.810%0.09932%0.315CS..Hα-helixtrans-68.9-37.1175-60.1167.6000111.8K80 S81 K82 L87 E88 R89 E265K80-L85 HydrophobicContact CB-CD1 4.42Å; K80-L85 HydrophobicContact CB-CD2 3.78Å; K80-L85 HydrophobicContact CB-CG 3.91Å; K80-L85 HydrophobicContact CD-CD2 3.75Å; K80-L85 HydrophobicContact CG-CD2 4.43Å; S81-L85 PolarHBondContact O-N 2.69Å; S81-L85 VanDerWaalsContact O-N 3.17Å; K82-L85 PolarHBondContact O-N 3.04Å; K82-L85 VanDerWaalsContact O-N 3.17Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-E88 PolarHBondContact O-N 2.76Å; L85-R89 PolarHBondContact O-N 3.39Å; L85-E265 HydrophobicContact CD1-CB 4.01Å; L85-E265 HydrophobicContact CD1-CG 4.29Å; L85-E265 HydrophobicContact CD2-CB 3.73Å
86D90.5Very high86.2Confident6 Ų651.5 Ų51.53%0.03228%0.283CS..Hα-helixtrans-60.1-42.4169.6-70.1-19.8000111.3K82 E88 R89 A90 L119 T123K82-D86 VanDerWaalsContact CE-OD2 3.32Å; K82-D86 WeakPolarHBondContact CE-OD2 3.26Å; K82-D86 IonicContact NZ-OD2 2.66Å; K82-D86 WeakPolarHBondContact O-CB 3.49Å; K82-D86 VanDerWaalsContact O-CG 3.24Å; K82-D86 PolarHBondContact O-N 2.68Å; D86-E88 VanDerWaalsContact C-N 3.34Å; D86-E88 PolarHBondContact O-N 2.93Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 IonicContact OD1-CZ 2.58Å; D86-R89 IonicContact OD1-NH1 3.77Å; D86-R89 PolarHBondContact OD1-NH1 3.04Å; D86-R89 IonicContact OD1-NH2 3.96Å; D86-R89 PolarHBondContact OD1-NH2 3.04Å; D86-A90 WeakPolarHBondContact O-CB 3.45Å; D86-A90 PolarHBondContact O-N 2.76Å; D86-L119 HydrophobicContact CB-CD1 4.23Å; D86-L119 WeakPolarHBondContact O-CD2 3.46Å; D86-T123 HydrophobicContact CB-CG2 3.67Å; D86-T123 VanDerWaalsContact CB-OG1 3.3Å; D86-T123 WeakPolarHBondContact CB-OG1 3.37Å; D86-T123 WeakPolarHBondContact OD2-CG2 3.27Å; D86-T123 PolarHBondContact OD2-OG1 3Å
87L92.3Very high87.9Confident13 Ų1347 Ų477%0.06825%0.246CC..Hα-helixtrans-65-36175.6179.161.5000112.1H83 Q84 L85 A90 H91 L132 K135 L136 L139H83-L87 PolarHBondContact O-N 2.72Å; Q84-L87 WeakPolarHBondContact O-CB 3.33Å; Q84-L87 PolarHBondContact O-N 2.89Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L87-A90 PolarHBondContact O-N 2.77Å; L87-H91 VanDerWaalsContact CD1-CE1 3.45Å; L87-H91 WeakPolarHBondContact CD1-CE1 3.41Å; L87-H91 PolarHBondContact O-N 3.33Å; L87-H91 PolarHBondContact O-ND1 3.33Å; L87-L132 HydrophobicContact CB-CD1 4.34Å; L87-L132 HydrophobicContact CD2-CD1 3.49Å; L87-L132 VanDerWaalsContact CD2-CD1 3.49Å; L87-K135 HydrophobicContact CD2-CB 4.01Å; L87-K135 HydrophobicContact CD2-CD 4.13Å; L87-L136 HydrophobicContact CB-CD2 4.04Å; L87-L136 HydrophobicContact CD1-CD2 3.66Å; L87-L136 HydrophobicContact CD1-CG 3.99Å; L87-L136 HydrophobicContact CG-CD2 4.4Å; L87-L139 HydrophobicContact CD1-CD2 4.06Å
88E91Very high89.4Confident67 Ų6745.6 Ų45.631%0.31323%0.234SC..Hα-helixtrans-71.5-38.3176.9-72.6176.8175.700111.9K80 Q84 L85 D86 H91 F92K80-E88 WeakPolarHBondContact CE-OE1 3.33Å; K80-E88 IonicContact NZ-OE1 3.19Å; K80-E88 PolarHBondContact NZ-OE1 3.4Å; K80-E88 IonicContact NZ-OE2 3.33Å; K80-E88 PolarHBondContact NZ-OE2 3.14Å; Q84-E88 PolarHBondContact O-N 3.36Å; L85-E88 PolarHBondContact O-N 2.76Å; D86-E88 VanDerWaalsContact C-N 3.34Å; D86-E88 PolarHBondContact O-N 2.93Å; E88-H91 PolarHBondContact O-N 2.88Å; E88-F92 PolarHBondContact O-N 3.28Å
89R93Very high90.2Very high11 Ų1141.1 Ų41.14%0.04220%0.204CC..Hα-helixtrans-61.3-40.5167.8-80.9-177.5-93.9104.79.4112.6L85 D86 F92 L93 L119 P238 P328L85-R89 PolarHBondContact O-N 3.39Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 IonicContact OD1-CZ 2.58Å; D86-R89 IonicContact OD1-NH1 3.77Å; D86-R89 PolarHBondContact OD1-NH1 3.04Å; D86-R89 IonicContact OD1-NH2 3.96Å; D86-R89 PolarHBondContact OD1-NH2 3.04Å; R89-F92 PolarHBondContact O-N 3.35Å; R89-L93 PolarHBondContact O-N 2.84Å; R89-L119 HydrophobicContact CB-CD2 3.92Å; R89-P238 PolarHBondContact NH1-O 3.01Å; R89-P328 WeakPolarHBondContact CD-O 3.43Å; R89-P328 HydrophobicContact CG-CB 3.92Å; R89-P328 HydrophobicContact CG-CG 4.2Å; R89-P328 VanDerWaalsContact CG-O 3.26Å; R89-P328 WeakPolarHBondContact CG-O 3.38Å
90A92.8Very high90.5Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-65.4-40.6176.500000112.9D86 L87 F92 L93 V94 L119 C120 L139D86-A90 WeakPolarHBondContact O-CB 3.45Å; D86-A90 PolarHBondContact O-N 2.76Å; L87-A90 PolarHBondContact O-N 2.77Å; A90-F92 VanDerWaalsContact C-N 3.34Å; A90-L93 PolarHBondContact O-N 3.36Å; A90-V94 WeakPolarHBondContact O-CG2 3.24Å; A90-V94 PolarHBondContact O-N 2.72Å; A90-L119 HydrophobicContact CB-CD2 4Å; A90-L119 HydrophobicContact CB-CG 4.32Å; A90-C120 VanDerWaalsContact CB-SG 3.51Å; A90-L139 HydrophobicContact CB-CD2 3.93Å
91H92.2Very high90.8Very high90 Ų9036.8 Ų36.842%0.41718%0.183SC..Hα-helixtrans-62.4-41.5172.4-76.990.1000111.5L87 E88 V94 T95L87-H91 VanDerWaalsContact CD1-CE1 3.45Å; L87-H91 WeakPolarHBondContact CD1-CE1 3.41Å; L87-H91 PolarHBondContact O-N 3.33Å; L87-H91 PolarHBondContact O-ND1 3.33Å; E88-H91 PolarHBondContact O-N 2.88Å; H91-V94 PolarHBondContact O-N 2.77Å; H91-T95 PolarHBondContact O-N 2.8Å; H91-T95 PolarHBondContact O-OG1 3.43Å
92F91.8Very high90.9Very high17 Ų1739.9 Ų39.98%0.07519%0.191CC..Hα-helixtrans-63.6-40.9178.4-171.4-102.8000112.5E88 R89 A90 T95 Q96 F235 A236 P317 E325 N327 P328E88-F92 PolarHBondContact O-N 3.28Å; R89-F92 PolarHBondContact O-N 3.35Å; A90-F92 VanDerWaalsContact C-N 3.34Å; F92-T95 PolarHBondContact O-N 3.18Å; F92-Q96 HydrophobicContact CD1-CG 4.21Å; F92-Q96 HydrophobicContact CE1-CG 3.83Å; F92-Q96 HydrophobicContact CE2-CG 4.26Å; F92-Q96 HydrophobicContact CZ-CG 3.84Å; F92-Q96 WeakPolarHBondContact O-CB 3.47Å; F92-Q96 VanDerWaalsContact O-CG 3.28Å; F92-Q96 WeakPolarHBondContact O-CG 3.44Å; F92-Q96 PolarHBondContact O-N 2.94Å; F92-F235 HydrophobicContact CE1-CB 4.27Å; F92-F235 HydrophobicContact CZ-CB 4.4Å; F92-A236 HydrophobicContact CD1-CB 3.63Å; F92-A236 HydrophobicContact CE1-CB 3.75Å; F92-P317 HydrophobicContact CZ-CG 4.21Å; F92-E325 WeakPolarHBondContact CE2-OE1 3.37Å; F92-N327 WeakPolarHBondContact CD1-OD1 3.35Å; F92-N327 HydrophobicContact CE1-CB 4.36Å; F92-N327 WeakPolarHBondContact CE1-OD1 3.32Å; F92-N327 HydrophobicContact CZ-CB 4.13Å; F92-P328 HydrophobicContact CB-CG 3.63Å; F92-P328 HydrophobicContact CD2-CG 4.48Å; F92-P328 HydrophobicContact CG-CG 4Å
93L92.1Very high90.9Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-57.7-46.7170.4-77.3157000111.9R89 A90 Q96 A97 L112 E115 A116 L119 A236 P238R89-L93 PolarHBondContact O-N 2.84Å; A90-L93 PolarHBondContact O-N 3.36Å; L93-Q96 PolarHBondContact O-N 2.82Å; L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.03Å; L93-L112 HydrophobicContact CD2-CD2 3.89Å; L93-E115 HydrophobicContact CD2-CB 4.11Å; L93-A116 HydrophobicContact CB-CB 3.79Å; L93-L119 HydrophobicContact CD1-CD2 4.06Å; L93-A236 HydrophobicContact CD2-CB 3.62Å; L93-A236 HydrophobicContact CG-CB 4.02Å; L93-P238 HydrophobicContact CD1-CG 4.27Å
94V92.6Very high90.8Very high28 Ų2846.1 Ų46.117%0.1722%0.221CC..Hα-helixtrans-64-40.5178.2170.40000112.7A90 H91 A97 F98 Y113 A116 L139 A143A90-V94 WeakPolarHBondContact O-CG2 3.24Å; A90-V94 PolarHBondContact O-N 2.72Å; H91-V94 PolarHBondContact O-N 2.77Å; V94-A97 PolarHBondContact O-N 2.9Å; V94-F98 WeakPolarHBondContact O-CB 3.34Å; V94-F98 PolarHBondContact O-N 2.87Å; V94-Y113 HydrophobicContact CG1-CE1 4.23Å; V94-A116 HydrophobicContact CG2-CB 3.6Å; V94-L139 HydrophobicContact CB-CD1 4.21Å; V94-L139 HydrophobicContact CG1-CD1 4.13Å; V94-L139 HydrophobicContact CG2-CD1 3.82Å; V94-L139 HydrophobicContact CG2-CD2 4.45Å; V94-L139 HydrophobicContact CG2-CG 4.05Å; V94-A143 HydrophobicContact CG2-CB 4.01Å
95T91.4Very high90.7Very high70 Ų7043.7 Ų43.743%0.42921%0.21SC..Hα-helixtrans-63.5-46.2175.5-590000111.2H91 F92 F98 D99H91-T95 PolarHBondContact O-N 2.8Å; H91-T95 PolarHBondContact O-OG1 3.43Å; F92-T95 PolarHBondContact O-N 3.18Å; T95-F98 PolarHBondContact O-N 3.24Å; T95-D99 PolarHBondContact O-N 3.27Å
96Q90.1Very high90.8Very high23 Ų2345 Ų4511%0.10722%0.219CC..Hα-helixtrans-68.9-34.7-179.7-67.9-85.9-41.700111.6F92 L93 D99 E100 L112 A236 E325F92-Q96 HydrophobicContact CD1-CG 4.21Å; F92-Q96 HydrophobicContact CE1-CG 3.83Å; F92-Q96 HydrophobicContact CE2-CG 4.26Å; F92-Q96 HydrophobicContact CZ-CG 3.84Å; F92-Q96 WeakPolarHBondContact O-CB 3.47Å; F92-Q96 VanDerWaalsContact O-CG 3.28Å; F92-Q96 WeakPolarHBondContact O-CG 3.44Å; F92-Q96 PolarHBondContact O-N 2.94Å; L93-Q96 PolarHBondContact O-N 2.82Å; Q96-D99 PolarHBondContact O-N 3.03Å; Q96-E100 PolarHBondContact O-N 2.79Å; Q96-L112 HydrophobicContact CB-CD1 4.38Å; Q96-A236 HydrophobicContact CB-CB 4.1Å; Q96-A236 HydrophobicContact CG-CB 4.11Å; Q96-E325 PolarHBondContact NE2-OE1 3.19Å
97A91.4Very high90.8Very high0 Ų052.3 Ų52.30%025%0.253CS..Hα-helixtrans-61.5-44.6171.300000112.2L93 V94 D99 E100 D101 L112 Y113L93-A97 WeakPolarHBondContact O-CB 3.34Å; L93-A97 PolarHBondContact O-N 3.03Å; V94-A97 PolarHBondContact O-N 2.9Å; A97-D99 VanDerWaalsContact C-N 3.31Å; A97-D99 PolarHBondContact O-N 3.3Å; A97-E100 PolarHBondContact O-N 2.92Å; A97-D101 VanDerWaalsContact O-CB 3.32Å; A97-D101 WeakPolarHBondContact O-CB 3.35Å; A97-D101 PolarHBondContact O-N 3.29Å; A97-L112 HydrophobicContact CB-CB 3.58Å; A97-Y113 HydrophobicContact CB-CD1 3.53Å; A97-Y113 HydrophobicContact CB-CD2 3.78Å; A97-Y113 HydrophobicContact CB-CE1 3.54Å; A97-Y113 HydrophobicContact CB-CE2 3.78Å; A97-Y113 HydrophobicContact CB-CG 3.63Å
98F91.3Very high90.7Very high89 Ų8955.3 Ų55.339%0.3927%0.269SS..Hα-helixtrans-63.9-36.5175.5-179.4-97.6000112.3V94 T95 D101 E102 Y113V94-F98 WeakPolarHBondContact O-CB 3.34Å; V94-F98 PolarHBondContact O-N 2.87Å; T95-F98 PolarHBondContact O-N 3.24Å; F98-D101 WeakPolarHBondContact O-CB 3.28Å; F98-D101 PolarHBondContact O-N 3.25Å; F98-E102 HydrophobicContact CD1-CG 4.41Å; F98-E102 HydrophobicContact CE1-CG 3.85Å; F98-E102 VanDerWaalsContact CE1-OE1 3.31Å; F98-E102 WeakPolarHBondContact CE1-OE1 3.48Å; F98-E102 HydrophobicContact CE2-CG 4.47Å; F98-E102 HydrophobicContact CZ-CG 3.88Å; F98-E102 VanDerWaalsContact CZ-OE1 3.32Å; F98-E102 WeakPolarHBondContact CZ-OE1 3.47Å; F98-E102 PolarHBondContact O-N 3.41Å; F98-Y113 VanDerWaalsContact CA-OH 3.29Å; F98-Y113 WeakPolarHBondContact CA-OH 3.45Å; F98-Y113 PolarHBondContact N-OH 3.03Å
99D88.9Confident90.7Very high20 Ų2052.1 Ų52.111%0.10725%0.254CS..Hα-helixtrans-72.8-24.8177.6-81.420.9000113.2T95 Q96 A97 K103 K320T95-D99 PolarHBondContact O-N 3.27Å; Q96-D99 PolarHBondContact O-N 3.03Å; A97-D99 VanDerWaalsContact C-N 3.31Å; A97-D99 PolarHBondContact O-N 3.3Å; D99-K103 WeakPolarHBondContact O-CD 3.25Å; D99-K103 WeakPolarHBondContact O-CE 3.02Å; D99-K103 WeakPolarHBondContact O-CG 3.43Å; D99-K103 PolarHBondContact O-NZ 3.05Å; D99-K320 WeakPolarHBondContact OD1-CE 3.44Å; D99-K320 IonicContact OD1-NZ 2.63Å; D99-K320 PolarHBondContact OD1-NZ 2.71Å; D99-K320 WeakPolarHBondContact OD2-CE 3.29Å; D99-K320 IonicContact OD2-NZ 2.71Å
100E89.4Confident90.7Very high24 Ų2453 Ų5311%0.11226%0.259CS..Hα-helixtrans-83.6-31.4169.9-66.2-50.5135.900112.8Q96 A97 K103 E104 N105 D108 A109 L112Q96-E100 PolarHBondContact O-N 2.79Å; A97-E100 PolarHBondContact O-N 2.92Å; E100-K103 CarbonylContact O-C 3.54Å; E100-K103 PolarHBondContact O-N 2.82Å; E100-K103 VanDerWaalsContact O-N 3.12Å; E100-K103 IonicContact OE1-NZ 2.88Å; E100-K103 PolarHBondContact OE1-NZ 2.93Å; E100-K103 WeakPolarHBondContact OE2-CD 3.37Å; E100-K103 IonicContact OE2-NZ 3.5Å; E100-E104 PolarHBondContact O-N 3.02Å; E100-N105 HydrophobicContact CB-CB 4.23Å; E100-N105 PolarHBondContact O-N 3.49Å; E100-N105 PolarHBondContact OE2-ND2 3.41Å; E100-D108 HydrophobicContact CB-CB 4.45Å; E100-D108 HydrophobicContact CG-CB 4.41Å; E100-A109 HydrophobicContact CB-CB 4.2Å; E100-L112 HydrophobicContact CG-CD1 4.27Å
101D90.6Very high90.8Very high18 Ų1857.1 Ų57.110%0.09628%0.279CS..Hα-helixtrans-60.1-48.9169.9178.56.3000111.4A97 F98 K103 E104 A109 R146 L150A97-D101 VanDerWaalsContact O-CB 3.32Å; A97-D101 WeakPolarHBondContact O-CB 3.35Å; A97-D101 PolarHBondContact O-N 3.29Å; F98-D101 WeakPolarHBondContact O-CB 3.28Å; F98-D101 PolarHBondContact O-N 3.25Å; D101-K103 PolarHBondContact O-N 3.34Å; D101-K103 VanDerWaalsContact O-N 3.15Å; D101-E104 PolarHBondContact O-N 3.46Å; D101-A109 HydrophobicContact CB-CB 4.07Å; D101-R146 IonicContact OD1-CZ 3.77Å; D101-R146 IonicContact OD1-NH2 2.78Å; D101-R146 PolarHBondContact OD1-NH2 3.03Å; D101-R146 IonicContact OD2-CZ 3.14Å; D101-R146 IonicContact OD2-NE 2.69Å; D101-R146 PolarHBondContact OD2-NE 2.8Å; D101-R146 IonicContact OD2-NH2 2.79Å; D101-R146 PolarHBondContact OD2-NH2 2.79Å; D101-L150 HydrophobicContact CB-CD1 4.42Å
102E90.4Very high90.8Very high117 Ų11753.2 Ų53.255%0.54726%0.261SS..THydrogen-bonded Turntrans-62.5-17.9172.3-77.6-166.8154.400114.2F98 K320F98-E102 HydrophobicContact CD1-CG 4.41Å; F98-E102 HydrophobicContact CE1-CG 3.85Å; F98-E102 VanDerWaalsContact CE1-OE1 3.31Å; F98-E102 WeakPolarHBondContact CE1-OE1 3.48Å; F98-E102 HydrophobicContact CE2-CG 4.47Å; F98-E102 HydrophobicContact CZ-CG 3.88Å; F98-E102 VanDerWaalsContact CZ-OE1 3.32Å; F98-E102 WeakPolarHBondContact CZ-OE1 3.47Å; F98-E102 PolarHBondContact O-N 3.41Å; E102-K320 IonicContact OE2-NZ 3.7Å; E102-K320 PolarHBondContact OE2-NZ 2.93Å
103K87.8Confident91.1Very high107 Ų10752.8 Ų52.847%0.46526%0.259SS..THydrogen-bonded Turntrans-93.33.4175-66.7162.8-159.6142.50113.2D99 E100 D101 N105D99-K103 WeakPolarHBondContact O-CD 3.25Å; D99-K103 WeakPolarHBondContact O-CE 3.02Å; D99-K103 WeakPolarHBondContact O-CG 3.43Å; D99-K103 PolarHBondContact O-NZ 3.05Å; E100-K103 CarbonylContact O-C 3.54Å; E100-K103 PolarHBondContact O-N 2.82Å; E100-K103 VanDerWaalsContact O-N 3.12Å; E100-K103 IonicContact OE1-NZ 2.88Å; E100-K103 PolarHBondContact OE1-NZ 2.93Å; E100-K103 WeakPolarHBondContact OE2-CD 3.37Å; E100-K103 IonicContact OE2-NZ 3.5Å; D101-K103 PolarHBondContact O-N 3.34Å; D101-K103 VanDerWaalsContact O-N 3.15Å; K103-N105 PolarHBondContact O-N 3.21Å
104E88.5Confident91.2Very high170 Ų17056 Ų5679%0.79428%0.279SS*.THydrogen-bonded Turntrans61.816.8-172.7-52.7-177165.100114.2E100 D101 V106E100-E104 PolarHBondContact O-N 3.02Å; D101-E104 PolarHBondContact O-N 3.46Å; E104-V106 PolarHBondContact O-N 2.88Å
105N88.3Confident91.2Very high28 Ų2856.8 Ų56.815%0.1528%0.28CS..  trans-83.965.5176.2-65.9-39.3000110.3E100 K103 E107 D108 A109 R232E100-N105 HydrophobicContact CB-CB 4.23Å; E100-N105 PolarHBondContact O-N 3.49Å; E100-N105 PolarHBondContact OE2-ND2 3.41Å; K103-N105 PolarHBondContact O-N 3.21Å; N105-E107 VanDerWaalsContact C-N 3.33Å; N105-E107 PolarHBondContact O-N 3.31Å; N105-D108 PolarHBondContact O-N 3.41Å; N105-A109 PolarHBondContact O-N 2.78Å; N105-A109 VanDerWaalsContact O-N 3.11Å; N105-R232 PolarHBondContact OD1-NH1 3.04Å
106V90.9Very high91.4Very high47 Ų4753.5 Ų53.529%0.28526%0.26SS..Hα-helixtrans-56.3-38.4-168.7179.30000114E104 A109 I110 L150 L154E104-V106 PolarHBondContact O-N 2.88Å; V106-A109 PolarHBondContact O-N 3.32Å; V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CG1 4.37Å; V106-I110 VanDerWaalsContact O-CG1 3.3Å; V106-I110 WeakPolarHBondContact O-CG1 3.44Å; V106-I110 PolarHBondContact O-N 3.49Å; V106-L150 HydrophobicContact CG1-CB 4.25Å; V106-L150 HydrophobicContact CG1-CD2 4.5Å; V106-L154 HydrophobicContact CG1-CD1 4.2Å
107E90.1Very high91.6Very high159 Ų15953 Ų5374%0.74326%0.259SS*.Hα-helixtrans-66.6-48.9-178.4-63.8-176.2169.500111.9N105 A109 I110 E111N105-E107 VanDerWaalsContact C-N 3.33Å; N105-E107 PolarHBondContact O-N 3.31Å; E107-A109 VanDerWaalsContact C-N 3.33Å; E107-A109 PolarHBondContact O-N 2.95Å; E107-I110 PolarHBondContact O-N 3.04Å; E107-E111 PolarHBondContact O-N 3.01Å; E107-E111 VanDerWaalsContact O-N 3.15Å
108D89.9Confident91.8Very high76 Ų7658.1 Ų58.141%0.40629%0.286SS..Hα-helixtrans-62.1-39.9176.4-66.8-59.3000111.4E100 N105 E111 L112E100-D108 HydrophobicContact CB-CB 4.45Å; E100-D108 HydrophobicContact CG-CB 4.41Å; N105-D108 PolarHBondContact O-N 3.41Å; D108-E111 PolarHBondContact O-N 3.25Å; D108-L112 VanDerWaalsContact O-CG 3.31Å; D108-L112 WeakPolarHBondContact O-CG 3.14Å; D108-L112 PolarHBondContact O-N 2.96Å
109A92.3Very high91.9Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-63.7-44.6178.200000112.5E100 D101 N105 V106 E107 E111 L112 Y113 L150E100-A109 HydrophobicContact CB-CB 4.2Å; D101-A109 HydrophobicContact CB-CB 4.07Å; N105-A109 PolarHBondContact O-N 2.78Å; N105-A109 VanDerWaalsContact O-N 3.11Å; V106-A109 PolarHBondContact O-N 3.32Å; E107-A109 VanDerWaalsContact C-N 3.33Å; E107-A109 PolarHBondContact O-N 2.95Å; A109-E111 VanDerWaalsContact C-N 3.35Å; A109-E111 PolarHBondContact O-N 2.78Å; A109-L112 PolarHBondContact O-N 3.29Å; A109-Y113 WeakPolarHBondContact O-CD2 3.24Å; A109-Y113 PolarHBondContact O-N 2.99Å; A109-L150 HydrophobicContact CB-CD1 4.19Å
110I93.1Very high92.1Very high30 Ų3053.6 Ų53.615%0.15427%0.266CS..Hα-helixtrans-63.1-41.2176.9-69.8166.9000110.8V106 E107 T114 L150 L154V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CG1 4.37Å; V106-I110 VanDerWaalsContact O-CG1 3.3Å; V106-I110 WeakPolarHBondContact O-CG1 3.44Å; V106-I110 PolarHBondContact O-N 3.49Å; E107-I110 PolarHBondContact O-N 3.04Å; I110-T114 WeakPolarHBondContact O-CB 2.93Å; I110-T114 PolarHBondContact O-N 3.1Å; I110-T114 PolarHBondContact O-OG1 3.46Å; I110-L150 HydrophobicContact CD1-CB 3.93Å; I110-L150 HydrophobicContact CG1-CB 3.76Å; I110-L150 HydrophobicContact CG1-CD1 4.36Å; I110-L154 HydrophobicContact CD1-CD1 3.89Å
111E93.5Very high92.3Very high86 Ų8655.4 Ų55.440%0.40228%0.276SS..Hα-helixtrans-61.5-49.5177.1-160.5-161.8148.900111.2E107 D108 A109 Y113 T114 E115 R234E107-E111 PolarHBondContact O-N 3.01Å; E107-E111 VanDerWaalsContact O-N 3.15Å; D108-E111 PolarHBondContact O-N 3.25Å; A109-E111 VanDerWaalsContact C-N 3.35Å; A109-E111 PolarHBondContact O-N 2.78Å; E111-Y113 PolarHBondContact O-N 3.39Å; E111-T114 PolarHBondContact O-N 2.71Å; E111-E115 PolarHBondContact O-N 2.67Å; E111-R234 IonicContact OE1-CZ 2.76Å; E111-R234 VanDerWaalsContact OE1-CZ 3.23Å; E111-R234 IonicContact OE1-NH1 2.63Å; E111-R234 PolarHBondContact OE1-NH1 3.19Å; E111-R234 IonicContact OE1-NH2 2.79Å; E111-R234 PolarHBondContact OE1-NH2 3.22Å; E111-R234 IonicContact OE2-CZ 4Å; E111-R234 IonicContact OE2-NH1 2.73Å; E111-R234 PolarHBondContact OE2-NH1 3.34Å; E111-R234 IonicContact OE2-NH2 3.19Å
112L93.7Very high92.4Very high8 Ų860 Ų604%0.04230%0.295CS..Hα-helixtrans-64.5-39.1-179.2-69.7169000112.7L93 Q96 A97 E100 D108 A109 A116 R234 A236L93-L112 HydrophobicContact CD2-CD2 3.89Å; Q96-L112 HydrophobicContact CB-CD1 4.38Å; A97-L112 HydrophobicContact CB-CB 3.58Å; E100-L112 HydrophobicContact CG-CD1 4.27Å; D108-L112 VanDerWaalsContact O-CG 3.31Å; D108-L112 WeakPolarHBondContact O-CG 3.14Å; D108-L112 PolarHBondContact O-N 2.96Å; A109-L112 PolarHBondContact O-N 3.29Å; L112-A116 WeakPolarHBondContact O-CB 3.47Å; L112-A116 PolarHBondContact O-N 3.32Å; L112-R234 HydrophobicContact CD2-CG 4.49Å; L112-A236 HydrophobicContact CD2-CB 4.13Å
113Y96.3Very high92.5Very high9 Ų954.5 Ų54.54%0.03527%0.269CS..Hα-helixtrans-63.9-43.5171.7-77.7-53.7000111.8V94 A97 F98 A109 E111 A116 V117 A143 R146 L150V94-Y113 HydrophobicContact CG1-CE1 4.23Å; A97-Y113 HydrophobicContact CB-CD1 3.53Å; A97-Y113 HydrophobicContact CB-CD2 3.78Å; A97-Y113 HydrophobicContact CB-CE1 3.54Å; A97-Y113 HydrophobicContact CB-CE2 3.78Å; A97-Y113 HydrophobicContact CB-CG 3.63Å; F98-Y113 VanDerWaalsContact CA-OH 3.29Å; F98-Y113 WeakPolarHBondContact CA-OH 3.45Å; F98-Y113 PolarHBondContact N-OH 3.03Å; A109-Y113 WeakPolarHBondContact O-CD2 3.24Å; A109-Y113 PolarHBondContact O-N 2.99Å; E111-Y113 PolarHBondContact O-N 3.39Å; Y113-A116 WeakPolarHBondContact O-CB 3.44Å; Y113-A116 PolarHBondContact O-N 2.97Å; Y113-V117 WeakPolarHBondContact O-CG2 3.4Å; Y113-V117 PolarHBondContact O-N 2.8Å; Y113-A143 HydrophobicContact CD1-CB 3.85Å; Y113-R146 HydrophobicContact CD2-CG 4.29Å; Y113-R146 HydrophobicContact CE1-CB 4.44Å; Y113-R146 HydrophobicContact CE1-CG 4.39Å; Y113-R146 HydrophobicContact CE2-CB 4.17Å; Y113-R146 HydrophobicContact CE2-CG 3.55Å; Y113-L150 HydrophobicContact CD2-CD1 4.13Å; Y113-L150 HydrophobicContact CE2-CD1 3.89Å
114T94.3Very high92.8Very high68 Ų6849.4 Ų49.442%0.41725%0.247SC..Hα-helixtrans-62.7-44.6179-55.60000111.4I110 E111 A116 V117 D118I110-T114 WeakPolarHBondContact O-CB 2.93Å; I110-T114 PolarHBondContact O-N 3.1Å; I110-T114 PolarHBondContact O-OG1 3.46Å; E111-T114 PolarHBondContact O-N 2.71Å; T114-A116 VanDerWaalsContact C-N 3.31Å; T114-A116 PolarHBondContact O-N 3.31Å; T114-V117 WeakPolarHBondContact O-CB 3.47Å; T114-V117 PolarHBondContact O-N 3.36Å; T114-D118 PolarHBondContact O-N 3.23Å
115E94.3Very high92.9Very high44 Ų4449.7 Ų49.721%0.20624%0.242CC..Hα-helixtrans-59.7-38173.6-81.2-162.2141.700112.9L93 E111 L119 R234 P238L93-E115 HydrophobicContact CD2-CB 4.11Å; E111-E115 PolarHBondContact O-N 2.67Å; E115-L119 WeakPolarHBondContact O-CB 3.36Å; E115-L119 PolarHBondContact O-N 3.44Å; E115-L119 VanDerWaalsContact O-N 3.09Å; E115-R234 IonicContact OE1-NH2 3.79Å; E115-R234 PolarHBondContact OE1-NH2 3.08Å; E115-R234 IonicContact OE2-CZ 3.72Å; E115-R234 IonicContact OE2-NH2 3.95Å; E115-R234 PolarHBondContact OE2-NH2 3.19Å; E115-P238 HydrophobicContact CB-CG 3.83Å; E115-P238 VanDerWaalsContact CD-CD 3.44Å; E115-P238 HydrophobicContact CG-CG 3.93Å; E115-P238 WeakPolarHBondContact OE1-CD 3.47Å; E115-P238 WeakPolarHBondContact OE2-CD 3.14Å
116A94.1Very high93.1Very high0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-66.6-40.1175.300000112.5L93 V94 L112 Y113 T114 C120 A143L93-A116 HydrophobicContact CB-CB 3.79Å; V94-A116 HydrophobicContact CG2-CB 3.6Å; L112-A116 WeakPolarHBondContact O-CB 3.47Å; L112-A116 PolarHBondContact O-N 3.32Å; Y113-A116 WeakPolarHBondContact O-CB 3.44Å; Y113-A116 PolarHBondContact O-N 2.97Å; T114-A116 VanDerWaalsContact C-N 3.31Å; T114-A116 PolarHBondContact O-N 3.31Å; A116-C120 VanDerWaalsContact O-CB 3.27Å; A116-C120 WeakPolarHBondContact O-CB 3.32Å; A116-C120 PolarHBondContact O-N 3.36Å; A116-C120 PolarHBondContact O-SG 2.89Å; A116-A143 HydrophobicContact CB-CB 4.46Å
117V95.4Very high93.1Very high14 Ų1450.8 Ų50.89%0.08524%0.244CC..Hα-helixtrans-61.1-51175.5173.40000110.5Y113 T114 L119 C120 L121 A140 A143 L144Y113-V117 WeakPolarHBondContact O-CG2 3.4Å; Y113-V117 PolarHBondContact O-N 2.8Å; T114-V117 WeakPolarHBondContact O-CB 3.47Å; T114-V117 PolarHBondContact O-N 3.36Å; V117-L119 PolarHBondContact O-N 3.07Å; V117-C120 PolarHBondContact O-N 3.46Å; V117-L121 HydrophobicContact CG1-CD1 3.71Å; V117-L121 HydrophobicContact CG1-CG 4.2Å; V117-L121 WeakPolarHBondContact O-CB 3.37Å; V117-L121 VanDerWaalsContact O-CG 3.32Å; V117-L121 WeakPolarHBondContact O-CG 3.06Å; V117-L121 PolarHBondContact O-N 3.01Å; V117-A140 WeakPolarHBondContact CG2-O 3.3Å; V117-A143 HydrophobicContact CG2-CB 3.71Å; V117-L144 HydrophobicContact CG2-CB 3.95Å
118D94Very high93Very high107 Ų10748 Ų4857%0.57225%0.249SC*.Hα-helixtrans-61.5-44.3-178.8-88.1-9.8000112.2T114 K122T114-D118 PolarHBondContact O-N 3.23Å; D118-K122 WeakPolarHBondContact O-CB 3.44Å; D118-K122 PolarHBondContact O-N 2.85Å
119L93.9Very high93Very high14 Ų1448.1 Ų48.17%0.07325%0.249CC..Hα-helixtrans-62.2-47.2174.9179.759.6000111.3D86 R89 A90 L93 E115 V117 L121 K122 T123 P238D86-L119 HydrophobicContact CB-CD1 4.23Å; D86-L119 WeakPolarHBondContact O-CD2 3.46Å; R89-L119 HydrophobicContact CB-CD2 3.92Å; A90-L119 HydrophobicContact CB-CD2 4Å; A90-L119 HydrophobicContact CB-CG 4.32Å; L93-L119 HydrophobicContact CD1-CD2 4.06Å; E115-L119 WeakPolarHBondContact O-CB 3.36Å; E115-L119 PolarHBondContact O-N 3.44Å; E115-L119 VanDerWaalsContact O-N 3.09Å; V117-L119 PolarHBondContact O-N 3.07Å; L119-L121 PolarHBondContact O-N 2.92Å; L119-K122 PolarHBondContact O-N 2.83Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 PolarHBondContact O-N 3.18Å; L119-T123 PolarHBondContact O-OG1 2.81Å; L119-P238 HydrophobicContact CB-CB 4.46Å; L119-P238 HydrophobicContact CD2-CB 4.46Å
120C93.8Very high92.9Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-58.6-49.7178.2-76.50000111.9A90 A116 V117 S124 L136 A140A90-C120 VanDerWaalsContact CB-SG 3.51Å; A116-C120 VanDerWaalsContact O-CB 3.27Å; A116-C120 WeakPolarHBondContact O-CB 3.32Å; A116-C120 PolarHBondContact O-N 3.36Å; A116-C120 PolarHBondContact O-SG 2.89Å; V117-C120 PolarHBondContact O-N 3.46Å; C120-S124 VanDerWaalsContact O-CB 3.22Å; C120-S124 WeakPolarHBondContact O-CB 3.31Å; C120-S124 PolarHBondContact O-N 2.67Å; C120-L136 HydrophobicContact CB-CD2 4.36Å; C120-L136 WeakPolarHBondContact CB-O 3.01Å; C120-A140 HydrophobicContact CB-CB 3.72Å
121L93.6Very high92.8Very high62 Ų6257.2 Ų57.233%0.32530%0.299SS..Hα-helixtrans-61.7-51.2-178.7-72.4177000110.6V117 L119 T123 S124 Y125 A140V117-L121 HydrophobicContact CG1-CD1 3.71Å; V117-L121 HydrophobicContact CG1-CG 4.2Å; V117-L121 WeakPolarHBondContact O-CB 3.37Å; V117-L121 VanDerWaalsContact O-CG 3.32Å; V117-L121 WeakPolarHBondContact O-CG 3.06Å; V117-L121 PolarHBondContact O-N 3.01Å; L119-L121 PolarHBondContact O-N 2.92Å; L121-T123 PolarHBondContact O-N 2.84Å; L121-S124 WeakPolarHBondContact O-CA 3.47Å; L121-S124 WeakPolarHBondContact O-CB 3.1Å; L121-S124 PolarHBondContact O-N 3.14Å; L121-S124 VanDerWaalsContact O-N 3.09Å; L121-S124 PolarHBondContact O-OG 3.21Å; L121-Y125 HydrophobicContact CB-CE2 4.36Å; L121-Y125 WeakPolarHBondContact O-CD2 3.32Å; L121-Y125 PolarHBondContact O-N 3.3Å; L121-Y125 VanDerWaalsContact O-N 3.14Å; L121-A140 HydrophobicContact CD2-CB 4.35Å; L121-A140 HydrophobicContact CG-CB 4.42Å
122K93.4Very high92.7Very high114 Ų11453.7 Ų53.750%0.49628%0.283SS..Hα-helixtrans-54.2-55.9178.4179.8179.1176.3-179.20111.9D118 L119 S124 Y125 E126D118-K122 WeakPolarHBondContact O-CB 3.44Å; D118-K122 PolarHBondContact O-N 2.85Å; L119-K122 PolarHBondContact O-N 2.83Å; K122-S124 PolarHBondContact O-N 3.03Å; K122-Y125 PolarHBondContact O-N 2.81Å; K122-E126 WeakPolarHBondContact CE-OE1 3.39Å; K122-E126 PolarHBondContact O-N 2.67Å
123T92.1Very high92.5Very high1 Ų155.7 Ų55.71%0.00629%0.292CS..Hα-helixtrans-64.4-28.4179.3-60.70000111.8H83 D86 L119 L121 Y125 E126 T127 L136H83-T123 HydrophobicContact CB-CG2 3.65Å; D86-T123 HydrophobicContact CB-CG2 3.67Å; D86-T123 VanDerWaalsContact CB-OG1 3.3Å; D86-T123 WeakPolarHBondContact CB-OG1 3.37Å; D86-T123 WeakPolarHBondContact OD2-CG2 3.27Å; D86-T123 PolarHBondContact OD2-OG1 3Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 PolarHBondContact O-N 3.18Å; L119-T123 PolarHBondContact O-OG1 2.81Å; L121-T123 PolarHBondContact O-N 2.84Å; T123-Y125 VanDerWaalsContact C-N 3.28Å; T123-Y125 PolarHBondContact O-N 3.2Å; T123-E126 PolarHBondContact O-N 3.27Å; T123-T127 WeakPolarHBondContact O-CB 3.49Å; T123-T127 WeakPolarHBondContact O-CG2 3.22Å; T123-T127 PolarHBondContact O-N 3.31Å; T123-L136 HydrophobicContact CG2-CD1 3.73Å; T123-L136 HydrophobicContact CG2-CD2 4.18Å
124S93.1Very high92.3Very high0 Ų060.3 Ų60.30%032%0.317CS..Hα-helixtrans-68.2-24.7174.388.30000113.5C120 L121 K122 Q133C120-S124 VanDerWaalsContact O-CB 3.22Å; C120-S124 WeakPolarHBondContact O-CB 3.31Å; C120-S124 PolarHBondContact O-N 2.67Å; L121-S124 WeakPolarHBondContact O-CA 3.47Å; L121-S124 WeakPolarHBondContact O-CB 3.1Å; L121-S124 PolarHBondContact O-N 3.14Å; L121-S124 VanDerWaalsContact O-N 3.09Å; L121-S124 PolarHBondContact O-OG 3.21Å; K122-S124 PolarHBondContact O-N 3.03Å; S124-Q133 WeakPolarHBondContact O-CG 3.48Å; S124-Q133 PolarHBondContact O-NE2 2.79Å
125Y91.5Very high92.3Very high177 Ų17763.3 Ų63.369%0.69432%0.324SS*.Hα-helixtrans-86.7-30.9172-64.2-63000112.7L121 K122 T123L121-Y125 HydrophobicContact CB-CE2 4.36Å; L121-Y125 WeakPolarHBondContact O-CD2 3.32Å; L121-Y125 PolarHBondContact O-N 3.3Å; L121-Y125 VanDerWaalsContact O-N 3.14Å; K122-Y125 PolarHBondContact O-N 2.81Å; T123-Y125 VanDerWaalsContact C-N 3.28Å; T123-Y125 PolarHBondContact O-N 3.2Å
126E91.9Very high92.2Very high84 Ų8461.2 Ų61.239%0.39331%0.314SS..Hα-helixtrans-75.3-27.5176.3-66.6-176.5-158.300113.3K82 H83 K122 T123K82-E126 IonicContact NZ-OE1 3.48Å; K82-E126 IonicContact NZ-OE2 3.6Å; K82-E126 PolarHBondContact NZ-OE2 3Å; H83-E126 PolarHBondContact CE1-O 3.12Å; H83-E126 IonicContact NE2-OE2 2.72Å; K122-E126 WeakPolarHBondContact CE-OE1 3.39Å; K122-E126 PolarHBondContact O-N 2.67Å; T123-E126 PolarHBondContact O-N 3.27Å
127T90.3Very high92.2Very high13 Ų1364.4 Ų64.48%0.0833%0.328CS..  trans-88.6135.8-177.1-163.20000114.8H83 T123 D129 L132 Q133 L136H83-T127 WeakPolarHBondContact ND1-CB 3.36Å; H83-T127 PolarHBondContact ND1-OG1 2.98Å; T123-T127 WeakPolarHBondContact O-CB 3.49Å; T123-T127 WeakPolarHBondContact O-CG2 3.22Å; T123-T127 PolarHBondContact O-N 3.31Å; T127-D129 PolarHBondContact OG1-N 3.28Å; T127-L132 HydrophobicContact CG2-CD2 4.34Å; T127-Q133 HydrophobicContact CG2-CB 3.99Å; T127-L136 HydrophobicContact CG2-CD1 4.16Å
128A88Confident92.1Very high101 Ų10169.3 Ų69.384%0.83535%0.35SS*.  trans-85.8-13.9170.700000113.7K130A128-K130 PolarHBondContact O-N 3.26Å
129D90.8Very high92.1Very high78 Ų7864.7 Ų64.742%0.41733%0.326SS..  trans-76.3113.9177.4175.714.9000111T127 A131 L132 Q133T127-D129 PolarHBondContact OG1-N 3.28Å; D129-A131 VanDerWaalsContact C-N 3.32Å; D129-A131 PolarHBondContact O-N 3.43Å; D129-A131 WeakPolarHBondContact OD1-CB 3.34Å; D129-A131 PolarHBondContact OD1-N 2.7Å; D129-L132 HydrophobicContact CB-CB 3.98Å; D129-L132 PolarHBondContact O-N 2.83Å; D129-L132 VanDerWaalsContact OD2-CB 3.25Å; D129-L132 WeakPolarHBondContact OD2-CB 3.41Å; D129-L132 PolarHBondContact OD2-N 2.86Å; D129-Q133 VanDerWaalsContact O-CB 3.25Å; D129-Q133 WeakPolarHBondContact O-CB 3.5Å; D129-Q133 PolarHBondContact O-N 3.19Å
130K90.1Very high92.2Very high163 Ų16364.3 Ų64.371%0.70932%0.324SS*.Hα-helixtrans-63.7-32.4177.6-62.6-175.5-179.6179.80113.2A128 N134A128-K130 PolarHBondContact O-N 3.26Å; K130-N134 WeakPolarHBondContact O-CB 3.16Å; K130-N134 PolarHBondContact O-N 2.85Å; K130-N134 PolarHBondContact O-ND2 2.93Å
131A91.1Very high92.2Very high59 Ų5972.6 Ų72.649%0.48836%0.356SS..Hα-helixtrans-70.6-46.4179.200000110.7D129 N134 K135D129-A131 VanDerWaalsContact C-N 3.32Å; D129-A131 PolarHBondContact O-N 3.43Å; D129-A131 WeakPolarHBondContact OD1-CB 3.34Å; D129-A131 PolarHBondContact OD1-N 2.7Å; A131-N134 PolarHBondContact O-N 2.99Å; A131-K135 PolarHBondContact O-N 3.25Å
132L90.5Very high92.2Very high12 Ų1274.8 Ų74.86%0.06336%0.364CS..Hα-helixtrans-63.6-43.4172.7-166.272.7000112.1H83 Q84 L87 T127 D129 N134 K135 L136H83-L132 HydrophobicContact CB-CD2 3.42Å; H83-L132 VanDerWaalsContact CB-CD2 3.42Å; Q84-L132 HydrophobicContact CG-CD1 4Å; Q84-L132 HydrophobicContact CG-CD2 4.21Å; L87-L132 HydrophobicContact CB-CD1 4.34Å; L87-L132 HydrophobicContact CD2-CD1 3.49Å; L87-L132 VanDerWaalsContact CD2-CD1 3.49Å; T127-L132 HydrophobicContact CG2-CD2 4.34Å; D129-L132 HydrophobicContact CB-CB 3.98Å; D129-L132 PolarHBondContact O-N 2.83Å; D129-L132 VanDerWaalsContact OD2-CB 3.25Å; D129-L132 WeakPolarHBondContact OD2-CB 3.41Å; D129-L132 PolarHBondContact OD2-N 2.86Å; L132-N134 VanDerWaalsContact C-N 3.29Å; L132-N134 PolarHBondContact O-N 3.32Å; L132-K135 PolarHBondContact O-N 2.87Å; L132-K135 VanDerWaalsContact O-N 3.16Å; L132-L136 HydrophobicContact CD2-CD1 4.48Å; L132-L136 HydrophobicContact CG-CD1 4Å; L132-L136 WeakPolarHBondContact O-CD1 3.41Å; L132-L136 WeakPolarHBondContact O-CG 3.3Å; L132-L136 PolarHBondContact O-N 3.5Å
133Q90.9Very high92.2Very high50 Ų5069.4 Ų69.423%0.23434%0.341CS..Hα-helixtrans-58.9-40177.2-170.2-176.491.700112S124 T127 D129 K137S124-Q133 WeakPolarHBondContact O-CG 3.48Å; S124-Q133 PolarHBondContact O-NE2 2.79Å; T127-Q133 HydrophobicContact CG2-CB 3.99Å; D129-Q133 VanDerWaalsContact O-CB 3.25Å; D129-Q133 WeakPolarHBondContact O-CB 3.5Å; D129-Q133 PolarHBondContact O-N 3.19Å; Q133-K137 HydrophobicContact CG-CD 4.02Å; Q133-K137 WeakPolarHBondContact O-CB 3.32Å; Q133-K137 VanDerWaalsContact O-CG 3.3Å; Q133-K137 WeakPolarHBondContact O-CG 3.35Å; Q133-K137 PolarHBondContact O-N 2.82Å
134N92.2Very high92.4Very high105 Ų10572.8 Ų72.856%0.56136%0.358SS*.Hα-helixtrans-65.7-41.8175.7-74.8-14.2000112.2K130 A131 L132 K137 Q138K130-N134 WeakPolarHBondContact O-CB 3.16Å; K130-N134 PolarHBondContact O-N 2.85Å; K130-N134 PolarHBondContact O-ND2 2.93Å; A131-N134 PolarHBondContact O-N 2.99Å; L132-N134 VanDerWaalsContact C-N 3.29Å; L132-N134 PolarHBondContact O-N 3.32Å; N134-K137 PolarHBondContact O-N 3.3Å; N134-Q138 WeakPolarHBondContact O-CB 3.42Å; N134-Q138 PolarHBondContact O-N 2.89Å
135K93.2Very high92.4Very high131 Ų13177.6 Ų77.657%0.5738%0.384SS*.Hα-helixtrans-61.3-47.6175.2-70.7-179.5177.5-174.80112L87 A131 L132 K137 Q138 L139L87-K135 HydrophobicContact CD2-CB 4.01Å; L87-K135 HydrophobicContact CD2-CD 4.13Å; A131-K135 PolarHBondContact O-N 3.25Å; L132-K135 PolarHBondContact O-N 2.87Å; L132-K135 VanDerWaalsContact O-N 3.16Å; K135-K137 PolarHBondContact O-N 2.98Å; K135-Q138 PolarHBondContact O-N 2.78Å; K135-L139 PolarHBondContact O-N 3.45Å
136L93.1Very high92.5Very high0 Ų074 Ų740%037%0.369CS..Hα-helixtrans-58.2-46.2176.6-72.1156.9000111.5L87 C120 T123 T127 L132 Q138 L139 A140L87-L136 HydrophobicContact CB-CD2 4.04Å; L87-L136 HydrophobicContact CD1-CD2 3.66Å; L87-L136 HydrophobicContact CD1-CG 3.99Å; L87-L136 HydrophobicContact CG-CD2 4.4Å; C120-L136 HydrophobicContact CB-CD2 4.36Å; C120-L136 WeakPolarHBondContact CB-O 3.01Å; T123-L136 HydrophobicContact CG2-CD1 3.73Å; T123-L136 HydrophobicContact CG2-CD2 4.18Å; T127-L136 HydrophobicContact CG2-CD1 4.16Å; L132-L136 HydrophobicContact CD2-CD1 4.48Å; L132-L136 HydrophobicContact CG-CD1 4Å; L132-L136 WeakPolarHBondContact O-CD1 3.41Å; L132-L136 WeakPolarHBondContact O-CG 3.3Å; L132-L136 PolarHBondContact O-N 3.5Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; L136-Q138 PolarHBondContact O-N 2.79Å; L136-L139 PolarHBondContact O-N 2.64Å; L136-A140 WeakPolarHBondContact O-CB 3.22Å; L136-A140 PolarHBondContact O-N 3.09Å
137K92.6Very high92.5Very high68 Ų6870.3 Ų70.330%0.29635%0.353SS..Hα-helixtrans-68.8-27.8178.1-72.6172.8179.7175.10113.7Q133 N134 K135 R141Q133-K137 HydrophobicContact CG-CD 4.02Å; Q133-K137 WeakPolarHBondContact O-CB 3.32Å; Q133-K137 VanDerWaalsContact O-CG 3.3Å; Q133-K137 WeakPolarHBondContact O-CG 3.35Å; Q133-K137 PolarHBondContact O-N 2.82Å; N134-K137 PolarHBondContact O-N 3.3Å; K135-K137 PolarHBondContact O-N 2.98Å; K137-R141 WeakPolarHBondContact O-CG 3.25Å; K137-R141 PolarHBondContact O-N 3.42Å
138Q95Very high92.6Very high117 Ų11775.2 Ų75.255%0.54738%0.376SS..Hα-helixtrans-71.6-49.5172.7179.6177-1300111N134 K135 L136 A140 R141 Q142N134-Q138 WeakPolarHBondContact O-CB 3.42Å; N134-Q138 PolarHBondContact O-N 2.89Å; K135-Q138 PolarHBondContact O-N 2.78Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; L136-Q138 PolarHBondContact O-N 2.79Å; Q138-A140 PolarHBondContact O-N 2.78Å; Q138-R141 PolarHBondContact O-N 3.41Å; Q138-Q142 WeakPolarHBondContact O-CG 3.36Å; Q138-Q142 PolarHBondContact O-N 2.79Å; Q138-Q142 VanDerWaalsContact O-N 3.11Å
139L94Very high92.7Very high10 Ų1072.8 Ų72.85%0.05236%0.355CS..Hα-helixtrans-62.5-41.5179.9-172.463.9000111.7L87 A90 V94 K135 L136 R141 Q142 A143L87-L139 HydrophobicContact CD1-CD2 4.06Å; A90-L139 HydrophobicContact CB-CD2 3.93Å; V94-L139 HydrophobicContact CB-CD1 4.21Å; V94-L139 HydrophobicContact CG1-CD1 4.13Å; V94-L139 HydrophobicContact CG2-CD1 3.82Å; V94-L139 HydrophobicContact CG2-CD2 4.45Å; V94-L139 HydrophobicContact CG2-CG 4.05Å; K135-L139 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 2.64Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 3.36Å; L139-Q142 PolarHBondContact O-N 2.89Å; L139-A143 WeakPolarHBondContact O-CB 3.2Å; L139-A143 PolarHBondContact O-N 2.69Å
140A94.3Very high92.6Very high6 Ų669.9 Ų69.95%0.0534%0.34CS..Hα-helixtrans-56.4-43.5173.400000112.9V117 C120 L121 L136 Q138 L144V117-A140 WeakPolarHBondContact CG2-O 3.3Å; C120-A140 HydrophobicContact CB-CB 3.72Å; L121-A140 HydrophobicContact CD2-CB 4.35Å; L121-A140 HydrophobicContact CG-CB 4.42Å; L136-A140 WeakPolarHBondContact O-CB 3.22Å; L136-A140 PolarHBondContact O-N 3.09Å; Q138-A140 PolarHBondContact O-N 2.78Å; A140-L144 VanDerWaalsContact O-CB 3.29Å; A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 PolarHBondContact O-N 2.81Å
141R94.7Very high92.2Very high173 Ų17364.1 Ų64.165%0.65332%0.32SS*.Hα-helixtrans-64.7-48.9177.5-73.1169.9180175-1.8111.2K137 Q138 L139 A143 L144 D145K137-R141 WeakPolarHBondContact O-CG 3.25Å; K137-R141 PolarHBondContact O-N 3.42Å; Q138-R141 PolarHBondContact O-N 3.41Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 3.36Å; R141-A143 VanDerWaalsContact C-N 3.27Å; R141-A143 PolarHBondContact O-N 2.88Å; R141-L144 PolarHBondContact O-N 2.88Å; R141-L144 VanDerWaalsContact O-N 3.12Å; R141-D145 WeakPolarHBondContact O-CB 3.39Å; R141-D145 PolarHBondContact O-N 2.68Å
142Q94Very high91.4Very high109 Ų10967.5 Ų67.551%0.50933%0.326SS..Hα-helixtrans-60-36.5-179.6-66.8176.7-61.900112.8Q138 L139 R146Q138-Q142 WeakPolarHBondContact O-CG 3.36Å; Q138-Q142 PolarHBondContact O-N 2.79Å; Q138-Q142 VanDerWaalsContact O-N 3.11Å; L139-Q142 PolarHBondContact O-N 2.89Å; Q142-R146 PolarHBondContact O-N 3Å
143A93.8Very high89.9Confident0 Ų071.3 Ų71.30%035%0.351CS..Hα-helixtrans-71.1-43.9173.800000112.6V94 Y113 A116 V117 L139 R141 R146 A147V94-A143 HydrophobicContact CG2-CB 4.01Å; Y113-A143 HydrophobicContact CD1-CB 3.85Å; A116-A143 HydrophobicContact CB-CB 4.46Å; V117-A143 HydrophobicContact CG2-CB 3.71Å; L139-A143 WeakPolarHBondContact O-CB 3.2Å; L139-A143 PolarHBondContact O-N 2.69Å; R141-A143 VanDerWaalsContact C-N 3.27Å; R141-A143 PolarHBondContact O-N 2.88Å; A143-R146 PolarHBondContact O-N 3.14Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.85Å
144L94.8Very high88.3Confident72 Ų7274.1 Ų74.138%0.37737%0.367SS..Hα-helixtrans-65.4-49.7179-177.763.5000112V117 A140 R141 R146 A147 E148V117-L144 HydrophobicContact CG2-CB 3.95Å; A140-L144 VanDerWaalsContact O-CB 3.29Å; A140-L144 WeakPolarHBondContact O-CB 3.46Å; A140-L144 PolarHBondContact O-N 2.81Å; R141-L144 PolarHBondContact O-N 2.88Å; R141-L144 VanDerWaalsContact O-N 3.12Å; L144-R146 PolarHBondContact O-N 3.24Å; L144-R146 VanDerWaalsContact O-N 3.12Å; L144-A147 PolarHBondContact O-N 2.67Å; L144-A147 VanDerWaalsContact O-N 3.1Å; L144-E148 HydrophobicContact CD1-CG 4.22Å; L144-E148 HydrophobicContact CG-CG 4.46Å; L144-E148 WeakPolarHBondContact O-CG 3.3Å; L144-E148 PolarHBondContact O-N 2.97Å
145D93.6Very high86.3Confident102 Ų10274.2 Ų74.255%0.54537%0.371SS..Hα-helixtrans-53.9-34.8178-61.8-21.3000110.9R141 A149R141-D145 WeakPolarHBondContact O-CB 3.39Å; R141-D145 PolarHBondContact O-N 2.68Å; D145-A149 WeakPolarHBondContact O-CB 3.44Å; D145-A149 PolarHBondContact O-N 2.96Å
146R93.3Very high83.7Confident101 Ų10175.5 Ų75.538%0.38138%0.377SS..Hα-helixtrans-80-41.6177.6-169.658.4178.5162.37.3113.1D101 Y113 Q142 A143 L144 E148 A149 L150D101-R146 IonicContact OD1-CZ 3.77Å; D101-R146 IonicContact OD1-NH2 2.78Å; D101-R146 PolarHBondContact OD1-NH2 3.03Å; D101-R146 IonicContact OD2-CZ 3.14Å; D101-R146 IonicContact OD2-NE 2.69Å; D101-R146 PolarHBondContact OD2-NE 2.8Å; D101-R146 IonicContact OD2-NH2 2.79Å; D101-R146 PolarHBondContact OD2-NH2 2.79Å; Y113-R146 HydrophobicContact CD2-CG 4.29Å; Y113-R146 HydrophobicContact CE1-CB 4.44Å; Y113-R146 HydrophobicContact CE1-CG 4.39Å; Y113-R146 HydrophobicContact CE2-CB 4.17Å; Y113-R146 HydrophobicContact CE2-CG 3.55Å; Q142-R146 PolarHBondContact O-N 3Å; A143-R146 PolarHBondContact O-N 3.14Å; L144-R146 PolarHBondContact O-N 3.24Å; L144-R146 VanDerWaalsContact O-N 3.12Å; R146-E148 VanDerWaalsContact C-N 3.33Å; R146-E148 PolarHBondContact O-N 3.03Å; R146-A149 PolarHBondContact O-N 2.85Å; R146-L150 HydrophobicContact CG-CD1 4.34Å; R146-L150 WeakPolarHBondContact O-CG 3.33Å; R146-L150 PolarHBondContact O-N 3.05Å
147A91.7Very high81.1Confident7 Ų781.4 Ų81.46%0.05842%0.415CS..Hα-helixtrans-61.7-39.7175.200000112.4A143 L144 L150 S151A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.85Å; L144-A147 PolarHBondContact O-N 2.67Å; L144-A147 VanDerWaalsContact O-N 3.1Å; A147-L150 PolarHBondContact O-N 3.09Å; A147-S151 WeakPolarHBondContact O-CB 3.37Å; A147-S151 PolarHBondContact O-N 3.16Å; A147-S151 VanDerWaalsContact O-N 3.1Å; A147-S151 PolarHBondContact O-OG 2.99Å
148E92.3Very high78.5Confident116 Ų11685 Ų8554%0.54244%0.442SS..Hα-helixtrans-64.5-45.9174.6-70.8-175-178.800111.3L144 R146 L150 S151 E152L144-E148 HydrophobicContact CD1-CG 4.22Å; L144-E148 HydrophobicContact CG-CG 4.46Å; L144-E148 WeakPolarHBondContact O-CG 3.3Å; L144-E148 PolarHBondContact O-N 2.97Å; R146-E148 VanDerWaalsContact C-N 3.33Å; R146-E148 PolarHBondContact O-N 3.03Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 3.2Å; E148-S151 WeakPolarHBondContact O-CA 3.41Å; E148-S151 WeakPolarHBondContact O-CB 3.11Å; E148-S151 PolarHBondContact O-N 2.92Å; E148-E152 PolarHBondContact O-N 3.02Å; E148-E152 VanDerWaalsContact O-N 3.13Å
149A90.5Very high75.4Confident50 Ų5084.2 Ų84.241%0.41345%0.449SS..Hα-helixtrans-61.8-32.6176.300000113.5D145 R146 S151D145-A149 WeakPolarHBondContact O-CB 3.44Å; D145-A149 PolarHBondContact O-N 2.96Å; R146-A149 PolarHBondContact O-N 2.85Å; A149-S151 VanDerWaalsContact C-N 3.31Å
150L88.7Confident72.3Confident17 Ų1793.4 Ų93.49%0.08949%0.489CS..Hα-helixtrans-76.1-16.5172.5-70.9173.4000113.3D101 V106 A109 I110 Y113 R146 A147 E148 P153D101-L150 HydrophobicContact CB-CD1 4.42Å; V106-L150 HydrophobicContact CG1-CB 4.25Å; V106-L150 HydrophobicContact CG1-CD2 4.5Å; A109-L150 HydrophobicContact CB-CD1 4.19Å; I110-L150 HydrophobicContact CD1-CB 3.93Å; I110-L150 HydrophobicContact CG1-CB 3.76Å; I110-L150 HydrophobicContact CG1-CD1 4.36Å; Y113-L150 HydrophobicContact CD2-CD1 4.13Å; Y113-L150 HydrophobicContact CE2-CD1 3.89Å; R146-L150 HydrophobicContact CG-CD1 4.34Å; R146-L150 WeakPolarHBondContact O-CG 3.33Å; R146-L150 PolarHBondContact O-N 3.05Å; A147-L150 PolarHBondContact O-N 3.09Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 3.2Å; L150-P153 WeakPolarHBondContact O-CD 3.47Å
151S81.4Confident69.7Low41 Ų41100.4 Ų100.429%0.28752%0.524SS..Hα-helixtrans-93.3-24.6-179.5-60.20000114.1A147 E148 A149 P153 L154 T155A147-S151 WeakPolarHBondContact O-CB 3.37Å; A147-S151 PolarHBondContact O-N 3.16Å; A147-S151 VanDerWaalsContact O-N 3.1Å; A147-S151 PolarHBondContact O-OG 2.99Å; E148-S151 WeakPolarHBondContact O-CA 3.41Å; E148-S151 WeakPolarHBondContact O-CB 3.11Å; E148-S151 PolarHBondContact O-N 2.92Å; A149-S151 VanDerWaalsContact C-N 3.31Å; S151-P153 VanDerWaalsContact C-N 3.35Å; S151-L154 PolarHBondContact O-N 2.98Å; S151-T155 PolarHBondContact O-OG1 3.49Å
152E73.9Confident66.5Low131 Ų131103.9 Ų103.961%0.61254%0.537SS*.THydrogen-bonded Turntrans-56.5-32.9174.5-68.5-156.6147.600115.6E148 T155E148-E152 PolarHBondContact O-N 3.02Å; E148-E152 VanDerWaalsContact O-N 3.13Å; E152-T155 PolarHBondContact O-OG1 2.73Å
153P60.2Low63.6Low91 Ų91103.5 Ų103.559%0.59155%0.546SS*.THydrogen-bonded Turntrans-69-35.9174.5-2234.9000113.4L150 S151 T155L150-P153 WeakPolarHBondContact O-CD 3.47Å; S151-P153 VanDerWaalsContact C-N 3.35Å; P153-T155 PolarHBondContact O-N 3.26Å
154L57.4Low60.5Low110 Ų110110.3 Ų110.358%0.57659%0.588SS**THydrogen-bonded Turntrans-77.7-18.9-171.1-67.1169.3000113.6V106 I110 S151V106-L154 HydrophobicContact CG1-CD1 4.2Å; I110-L154 HydrophobicContact CD1-CD1 3.89Å; S151-L154 PolarHBondContact O-N 2.98Å
155T49Very low57.3Low106 Ų106114.6 Ų114.665%0.6561%0.611SS**THydrogen-bonded Turntrans-91.86.2-17045.40000115.1S151 E152 P153 P157S151-T155 PolarHBondContact O-OG1 3.49Å; E152-T155 PolarHBondContact O-OG1 2.73Å; P153-T155 PolarHBondContact O-N 3.26Å; T155-P157 WeakPolarHBondContact O-CD 3.48Å
156K39.3Very low54.3Low159 Ų159116.5 Ų116.569%0.69163%0.626SS**  trans-97.3111-179-75.5168-1761480112.3
157P38.7Very low51.4Low124 Ų124121 Ų12181%0.80565%0.648SS**  trans-71.5150.917830-35.3000112.4T155T155-P157 WeakPolarHBondContact O-CD 3.48Å
158V38.3Very low48.4Very low142 Ų142126.5 Ų126.586%0.86168%0.684SS**  trans-66.7149.4179.7175.50000112
159C29.2Very low45.3Very low101 Ų101131 Ų13168%0.68270%0.701SS**  trans88.2107.6164.9-159.80000118.2
160K28.6Very low42.6Very low204 Ų204133.9 Ų133.989%0.88772%0.716SS**  -154.3121.6114.4-109.4155.4-170.9166.50112.4R162K160-R162 PolarHBondContact O-N 3.04Å
161I39.4Very low40.4Very low153 Ų153138.7 Ų138.779%0.78575%0.748SS**  trans-69.7125.6171.9-60.8167.1000108.9
162R28.8Very low38.1Very low245 Ų245141.9 Ų141.993%0.92577%0.768SS**  trans-138.2128.1151.8-82.3-165.4167.2177.4-3.9109.9K160K160-R162 PolarHBondContact O-N 3.04Å
163S32.7Very low35.8Very low102 Ų102142.6 Ų142.671%0.71378%0.781SS**  trans-97.4138.917947.80000111.3
164T28.3Very low34.4Very low142 Ų142148.2 Ų148.287%0.87179%0.79SS**  trans-145.4120.5155.641.70000108.8
165N28.3Very low32.8Very low163 Ų163147.8 Ų147.887%0.87280%0.803SS**  trans-80.4130.7179.6-67.9-51.6000111.6
166V30.8Very low31.5Very low141 Ų141148.9 Ų148.986%0.85580%0.8SS**  trans-137.6138150.8-174.10000108.7
167K30.9Very low30.8Very low196 Ų196149.6 Ų149.685%0.85280%0.804SS**  trans-91.4142.2-179-65172.9177.9174.40111.1
168P28.9Very low30.4Very low123 Ų123149.3 Ų149.380%0.79980%0.802SS**  trans-79.8155.716633.2-34000112.3
169K27.8Very low29.8Very low210 Ų210150.3 Ų150.391%0.91380%0.802SS**  trans-140.5159.5160.5-101.2-161.7170.7-173.10110.8
170P33.8Very low29.5Very low111 Ų111149.4 Ų149.472%0.72181%0.809SS**  trans-118.5-165.2-155.947.2-36.3000112.3
171P43.1Very low29.4Very low117 Ų117144.5 Ų144.576%0.7681%0.806SS**  cis-115.6-114.6-4.535.1-12.2000111.1
172P33.5Very low28.8Very low109 Ų109144.8 Ų144.871%0.70881%0.81SS**  cis-121.9143.31.939-21.9000117.3
173V24.8Very low28.8Very low145 Ų145137.6 Ų137.688%0.87980%0.795SS**  trans63.2137.7140.8177.90000121.4
174R30.2Very low28.6Very low209 Ų209141.8 Ų141.879%0.78980%0.8SS**  trans-86.9155.9169.6-67.4175.4172.9165-4.4112.3
175A24.4Very low28.6Very low102 Ų102142.9 Ų142.984%0.84380%0.8SS**  trans-125.6158.1150.300000109.8
176H22.6Very low28.4Very low128 Ų128144 Ų14459%0.59380%0.8SS**  trans-140.7133.9-170.6-100.3-74.2000112.1
177F24.3Very low28.1Very low175 Ų175148.1 Ų148.177%0.76880%0.8SS**  trans64.6168.4157.8-71.3-58.5000116.9
178P29.2Very low27.9Very low118 Ų118144.5 Ų144.577%0.76680%0.797SS**  cis-123.8-162.211.143.6-27.9000116
179L26.9Very low27.6Very low163 Ų163147.3 Ų147.385%0.85380%0.799SS**  trans-81.1158.3-166.8-60.875.8000114.2
180G22.6Very low27.5Very low81 Ų81142.3 Ų142.384%0.83579%0.791SS**  trans-147.4129.8153.700000109.1
181A26.6Very low27.3Very low101 Ų101145 Ų14584%0.83579%0.791SS**  trans-108.9153.3-175.900000111.6
182N25.8Very low26.6Very low160 Ų160147.3 Ų147.386%0.85680%0.796SS**  trans-141.2132.8160.7-122.1-11.5000109.6
183P29.9Very low26.2Very low94 Ų94147 Ų14761%0.6180%0.796SS**  trans-84.9-179-178.734.1-34.2000112.9
184F28.6Very low26.9Very low190 Ų190143 Ų14383%0.83377%0.773SS**  trans68.977.9176-55.1-73.1000116.6
185L26.9Very low26.7Very low164 Ų164140.7 Ų140.786%0.85977%0.771SS**  trans-144.888.8146-111.1167.9000108.3R187L185-R187 PolarHBondContact O-N 3.23Å; L185-R187 VanDerWaalsContact O-N 3.1Å
186E24.6Very low27.1Very low188 Ų188138.8 Ų138.888%0.87975%0.752SS**  trans-65.2109.1167-72.2-165.7134.600108.1
187R25.8Very low27.4Very low226 Ų226135.8 Ų135.885%0.85374%0.744SS**  trans-65131.2172.1-72.6-179.4172.7-179.8-4108.6L185 Q189L185-R187 PolarHBondContact O-N 3.23Å; L185-R187 VanDerWaalsContact O-N 3.1Å; R187-Q189 PolarHBondContact O-N 3.31Å
188P26.2Very low28.2Very low121 Ų121128.2 Ų128.279%0.78671%0.712SS**  trans-51.5133.3161.1-23.433.8000109.1S190P188-S190 PolarHBondContact O-N 3.33Å
189Q23Very low28.8Very low181 Ų181127 Ų12785%0.84671%0.712SS**  trans-66.4106.8176.6-73.7-175.1-14.900108.9R187 F191R187-Q189 PolarHBondContact O-N 3.31Å; Q189-F191 PolarHBondContact O-N 2.77Å; Q189-F191 VanDerWaalsContact O-N 3.1Å
190S24.3Very low29.4Very low105 Ų105123.5 Ų123.573%0.73469%0.691SS**  trans-62.5109.9175.853.70000109.8P188 I192P188-S190 PolarHBondContact O-N 3.33Å; S190-I192 PolarHBondContact O-N 3.43Å
191F31Very low30.3Very low167 Ų167122.1 Ų122.173%0.73268%0.676SS**  trans-62.7116.9170.9-87.6-93.8000109.6Q189 S193Q189-F191 PolarHBondContact O-N 2.77Å; Q189-F191 VanDerWaalsContact O-N 3.1Å; F191-S193 PolarHBondContact O-N 3.25Å
192I28.4Very low31.6Very low166 Ų166121.9 Ų121.985%0.85166%0.658SS**  trans-77114.8-179.9-59.3173.7000109.3S190S190-I192 PolarHBondContact O-N 3.43Å
193S24.8Very low34Very low104 Ų104125.8 Ų125.873%0.72766%0.661SS**  trans-169.4154.6150.545.20000111.7F191F191-S193 PolarHBondContact O-N 3.25Å
194P39.4Very low36.7Very low59 Ų59124.3 Ų124.338%0.38364%0.644SS.*  cis-117.1157-9.337.7-25000114.1N228 L231P194-N228 PolarHBondContact O-ND2 3.13Å; P194-L231 HydrophobicContact CG-CD1 4.35Å
195Q26Very low39.7Very low162 Ų162118.6 Ų118.676%0.75762%0.624SS**  trans-115.6151.5149.5-76.7-168.6-9.800109.2C197 N228Q195-C197 VanDerWaalsContact C-N 3.34Å; Q195-C197 PolarHBondContact O-N 2.55Å; Q195-N228 VanDerWaalsContact C-OD1 3.3Å; Q195-N228 WeakPolarHBondContact CA-OD1 3.43Å
196S33.3Very low42.8Very low62 Ų62114.8 Ų114.843%0.43462%0.617SS.*SBendtrans-80.479.1-169.757.60000112.5N228S196-N228 PolarHBondContact N-OD1 2.99Å
197C29Very low46.1Very low64 Ų64111.6 Ų111.643%0.43260%0.601SS.*SBendtrans-154172.8169.9530000108.3Q195Q195-C197 VanDerWaalsContact C-N 3.34Å; Q195-C197 PolarHBondContact O-N 2.55Å
198D40.4Very low49.4Very low17 Ų17101.6 Ų101.69%0.09156%0.564CS.*  trans-56.4159.7159.4-111.9-53000109.9Q200 G201 Q202 Y204 C548 R670D198-Q200 PolarHBondContact O-N 3.48Å; D198-G201 PolarHBondContact O-N 2.96Å; D198-Q202 HydrophobicContact CB-CB 4.5Å; D198-Y204 WeakPolarHBondContact OD2-CE1 3.42Å; D198-C548 PolarHBondContact OD2-SG 3.1Å; D198-C548 VanDerWaalsContact OD2-SG 3.36Å; D198-R670 IonicContact OD1-CZ 2.67Å; D198-R670 IonicContact OD1-NH1 3.05Å; D198-R670 PolarHBondContact OD1-NH1 2.81Å; D198-R670 IonicContact OD1-NH2 3.83Å
199A40.8Very low52.6Low92 Ų9299.4 Ų99.476%0.7655%0.545SS*.THydrogen-bonded Turntrans-66.313.8-175.400000115.6
200Q39.5Very low56.1Low90 Ų9094.6 Ų94.642%0.42152%0.523SS..THydrogen-bonded Turntrans-13512.7170.5-79.11187400113.4D198 Q202 S546 T547D198-Q200 PolarHBondContact O-N 3.48Å; Q200-Q202 PolarHBondContact O-N 3.26Å; Q200-S546 PolarHBondContact NE2-O 2.79Å; Q200-S546 VanDerWaalsContact OE1-C 3.24Å; Q200-S546 PolarHBondContact OE1-O 2.83Å; Q200-S546 VanDerWaalsContact OE1-O 3.06Å; Q200-T547 PolarHBondContact OE1-OG1 3.43Å
201G42.8Very low59.5Low51 Ų5190 Ų9053%0.52649%0.49SS..  trans79.910.4176.300000116D198D198-G201 PolarHBondContact O-N 2.96Å
202Q53.6Low62.6Low97 Ų9782.3 Ų82.345%0.45346%0.457SS..PPolyproline II helixtrans-69.7145.7175.6-66.9-170.5-6.600111.6D198 Q200D198-Q202 HydrophobicContact CB-CB 4.5Å; Q200-Q202 PolarHBondContact O-N 3.26Å
203R74.9Confident65.8Low241 Ų24180.8 Ų80.891%0.90944%0.44SS*.PPolyproline II helixtrans-94.6125.6167.4-77-178.4170.6178.2-3.2108.7
204Y87.1Confident69.1Low64 Ų6478.9 Ų78.925%0.25143%0.425SS..PPolyproline II helixtrans-53.1141.2170.5-58.3-62.1000111.6D198 E208 L212 H550D198-Y204 WeakPolarHBondContact OD2-CE1 3.42Å; Y204-E208 HydrophobicContact CD1-CB 4.48Å; Y204-L212 HydrophobicContact CD1-CD1 4.22Å; Y204-L212 HydrophobicContact CD2-CD1 4.33Å; Y204-L212 HydrophobicContact CE1-CD1 4.06Å; Y204-L212 HydrophobicContact CE2-CD1 4.18Å; Y204-L212 HydrophobicContact CG-CD1 4.36Å; Y204-H550 AromaticContact CD1-CD2 3.94Å; Y204-H550 AromaticContact CE1-CD2 3.8Å; Y204-H550 AromaticContact CE1-NE2 3.52Å
205T91.8Very high71.8Confident70 Ų7076.1 Ų76.143%0.42941%0.406SS..PPolyproline II helixtrans-70.3164170.661.80000111.6E207 E208 I209T205-E207 PolarHBondContact O-N 3.26Å; T205-E208 WeakPolarHBondContact CB-OE2 3.45Å; T205-E208 WeakPolarHBondContact CG2-OE2 3.36Å; T205-E208 PolarHBondContact N-OE2 3.4Å; T205-E208 PolarHBondContact O-N 3.42Å; T205-E208 VanDerWaalsContact O-N 3.11Å; T205-E208 VanDerWaalsContact OG1-CG 3.26Å; T205-E208 WeakPolarHBondContact OG1-CG 3.48Å; T205-E208 PolarHBondContact OG1-N 2.72Å; T205-E208 PolarHBondContact OG1-OE2 3.32Å; T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 3.17Å
206A93.3Very high75.1Confident84 Ų8468.8 Ų68.869%0.69437%0.373SS*.Hα-helixtrans-59.2-34.3176.900000112.9E210A206-E210 PolarHBondContact O-N 3.36Å; A206-E210 VanDerWaalsContact O-N 3.12Å
207E92.8Very high78.1Confident120 Ų12071.8 Ų71.856%0.56138%0.378SS*.Hα-helixtrans-62.2-47.1173.4-62.4-179.3177.700111.4T205 E210 V211 K681T205-E207 PolarHBondContact O-N 3.26Å; E207-E210 PolarHBondContact O-N 3.24Å; E207-V211 WeakPolarHBondContact O-CG2 3.43Å; E207-V211 PolarHBondContact O-N 2.61Å; E207-K681 IonicContact OE2-NZ 3.55Å; E207-K681 PolarHBondContact OE2-NZ 2.91Å
208E94.9Very high81.3Confident16 Ų1669 Ų698%0.07536%0.359CS..Hα-helixtrans-69-37.9-177.7-69.2170.8113.600112.4Y204 T205 E210 V211 L212 I549 H550Y204-E208 HydrophobicContact CD1-CB 4.48Å; T205-E208 WeakPolarHBondContact CB-OE2 3.45Å; T205-E208 WeakPolarHBondContact CG2-OE2 3.36Å; T205-E208 PolarHBondContact N-OE2 3.4Å; T205-E208 PolarHBondContact O-N 3.42Å; T205-E208 VanDerWaalsContact O-N 3.11Å; T205-E208 VanDerWaalsContact OG1-CG 3.26Å; T205-E208 WeakPolarHBondContact OG1-CG 3.48Å; T205-E208 PolarHBondContact OG1-N 2.72Å; T205-E208 PolarHBondContact OG1-OE2 3.32Å; E208-E210 VanDerWaalsContact C-N 3.28Å; E208-E210 PolarHBondContact O-N 2.91Å; E208-V211 PolarHBondContact O-N 3.48Å; E208-L212 WeakPolarHBondContact O-CB 3.48Å; E208-L212 WeakPolarHBondContact O-CG 3.31Å; E208-L212 PolarHBondContact O-N 3.48Å; E208-I549 VanDerWaalsContact OE1-CA 3.31Å; E208-I549 WeakPolarHBondContact OE1-CA 3.33Å; E208-H550 HydrophobicContact CB-CB 4.08Å; E208-H550 HydrophobicContact CG-CB 3.91Å; E208-H550 VanDerWaalsContact CG-O 3.32Å; E208-H550 WeakPolarHBondContact CG-O 3.38Å; E208-H550 IonicContact OE1-CD2 3.44Å; E208-H550 PolarHBondContact OE1-N 2.92Å
209I94.5Very high83.8Confident75 Ų7570.1 Ų70.139%0.38537%0.365SS..Hα-helixtrans-60.7-40.3172.2-66.9167.9000110.2T205 R213T205-I209 WeakPolarHBondContact O-CG1 3.47Å; T205-I209 PolarHBondContact O-N 3.17Å; I209-R213 WeakPolarHBondContact O-CB 3.45Å; I209-R213 PolarHBondContact O-N 3.49Å
210E95.6Very high86.2Confident81 Ų8167.7 Ų67.738%0.37935%0.349SS..Hα-helixtrans-68.9-40.4175.7-173.449.5-121.100112.4A206 E207 E208 R213 T214A206-E210 PolarHBondContact O-N 3.36Å; A206-E210 VanDerWaalsContact O-N 3.12Å; E207-E210 PolarHBondContact O-N 3.24Å; E208-E210 VanDerWaalsContact C-N 3.28Å; E208-E210 PolarHBondContact O-N 2.91Å; E210-R213 PolarHBondContact O-N 2.97Å; E210-R213 IonicContact OE2-CZ 3.91Å; E210-R213 IonicContact OE2-NH1 2.62Å; E210-R213 PolarHBondContact OE2-NH1 2.77Å; E210-T214 WeakPolarHBondContact O-CB 3.32Å; E210-T214 PolarHBondContact O-N 3.34Å; E210-T214 PolarHBondContact O-OG1 3.42Å; E210-T214 PolarHBondContact OE1-OG1 2.93Å
211V96.5Very high88.9Confident7 Ų764.5 Ų64.54%0.04234%0.335CS..Hα-helixtrans-60.3-48.7173.2174.60000111.1E207 E208 R213 T214 T215 H550 T552 H666E207-V211 WeakPolarHBondContact O-CG2 3.43Å; E207-V211 PolarHBondContact O-N 2.61Å; E208-V211 PolarHBondContact O-N 3.48Å; V211-R213 VanDerWaalsContact C-N 3.29Å; V211-R213 PolarHBondContact O-N 3.1Å; V211-T214 PolarHBondContact O-N 3.39Å; V211-T215 PolarHBondContact O-N 3.44Å; V211-T215 PolarHBondContact O-OG1 2.89Å; V211-T215 VanDerWaalsContact O-OG1 3.1Å; V211-H550 HydrophobicContact CB-CB 4.35Å; V211-H550 HydrophobicContact CG1-CB 4.16Å; V211-T552 WeakPolarHBondContact CG2-OG1 3.44Å; V211-H666 HydrophobicContact CG1-CB 4.17Å
212L95.8Very high91.4Very high6 Ų667.1 Ų67.13%0.03133%0.333CS..Hα-helixtrans-68.2-27.3-178.4-71.4175.1000113.5Y204 E208 S216 V341 R343Y204-L212 HydrophobicContact CD1-CD1 4.22Å; Y204-L212 HydrophobicContact CD2-CD1 4.33Å; Y204-L212 HydrophobicContact CE1-CD1 4.06Å; Y204-L212 HydrophobicContact CE2-CD1 4.18Å; Y204-L212 HydrophobicContact CG-CD1 4.36Å; E208-L212 WeakPolarHBondContact O-CB 3.48Å; E208-L212 WeakPolarHBondContact O-CG 3.31Å; E208-L212 PolarHBondContact O-N 3.48Å; L212-S216 PolarHBondContact O-N 3.24Å; L212-V341 HydrophobicContact CD1-CG1 4.16Å; L212-V341 HydrophobicContact CD2-CG1 3.85Å; L212-V341 HydrophobicContact CD2-CG2 3.9Å; L212-R343 PolarHBondContact O-NH1 3.34Å; L212-R343 VanDerWaalsContact O-NH1 3.11Å; L212-R343 PolarHBondContact O-NH2 3.37Å
213R94.9Very high93.4Very high134 Ų13462.7 Ų62.751%0.50631%0.312SS..Hα-helixtrans-72.8-55.6170.3175.9-172.2-65.7117.15111.2I209 E210 V211 T215 S216I209-R213 WeakPolarHBondContact O-CB 3.45Å; I209-R213 PolarHBondContact O-N 3.49Å; E210-R213 PolarHBondContact O-N 2.97Å; E210-R213 IonicContact OE2-CZ 3.91Å; E210-R213 IonicContact OE2-NH1 2.62Å; E210-R213 PolarHBondContact OE2-NH1 2.77Å; V211-R213 VanDerWaalsContact C-N 3.29Å; V211-R213 PolarHBondContact O-N 3.1Å; R213-T215 VanDerWaalsContact C-N 3.27Å; R213-T215 PolarHBondContact O-N 2.77Å; R213-S216 VanDerWaalsContact O-CB 3.28Å; R213-S216 WeakPolarHBondContact O-CB 3.44Å; R213-S216 PolarHBondContact O-N 3.37Å; R213-S216 PolarHBondContact O-OG 3.15Å
214T94.8Very high94.1Very high65 Ų6553.7 Ų53.740%0.39928%0.284SS..Hα-helixtrans-56.1-44178.8-79.40000110.6E210 V211 S216E210-T214 WeakPolarHBondContact O-CB 3.32Å; E210-T214 PolarHBondContact O-N 3.34Å; E210-T214 PolarHBondContact O-OG1 3.42Å; E210-T214 PolarHBondContact OE1-OG1 2.93Å; V211-T214 PolarHBondContact O-N 3.39Å; T214-S216 VanDerWaalsContact C-N 3.32Å; T214-S216 PolarHBondContact O-N 3.48Å
215T95.6Very high94.3Very high0 Ų052.4 Ų52.40%028%0.283CS..THydrogen-bonded Turntrans-90.721.7176.176.90000114.5V211 R213 N339 H592 T594 H666V211-T215 PolarHBondContact O-N 3.44Å; V211-T215 PolarHBondContact O-OG1 2.89Å; V211-T215 VanDerWaalsContact O-OG1 3.1Å; R213-T215 VanDerWaalsContact C-N 3.27Å; R213-T215 PolarHBondContact O-N 2.77Å; T215-N339 PolarHBondContact O-ND2 2.9Å; T215-H592 HydrophobicContact CG2-CB 3.84Å; T215-H592 PolarHBondContact OG1-ND1 2.86Å; T215-T594 HydrophobicContact CG2-CG2 4.01Å; T215-H666 HydrophobicContact CG2-CB 3.45Å; T215-H666 VanDerWaalsContact CG2-CB 3.45Å
216S95.8Very high94.3Very high8 Ų850.2 Ų50.26%0.05627%0.268CS..THydrogen-bonded Turntrans-78.7-28.5162.478.10000111.2L212 R213 T214 I218 Y223 R343L212-S216 PolarHBondContact O-N 3.24Å; R213-S216 VanDerWaalsContact O-CB 3.28Å; R213-S216 WeakPolarHBondContact O-CB 3.44Å; R213-S216 PolarHBondContact O-N 3.37Å; R213-S216 PolarHBondContact O-OG 3.15Å; T214-S216 VanDerWaalsContact C-N 3.32Å; T214-S216 PolarHBondContact O-N 3.48Å; S216-I218 PolarHBondContact O-N 3.09Å; S216-Y223 VanDerWaalsContact CB-O 3.3Å; S216-Y223 WeakPolarHBondContact CB-O 3.16Å; S216-Y223 PolarHBondContact O-N 2.79Å; S216-R343 VanDerWaalsContact CA-NH1 3.3Å
217K95.9Very high94.1Very high125 Ų12550.1 Ų50.154%0.54325%0.254SS..EExtended strand (participates in β ladder)trans-84.8101.4-178.3-163.3173.8-175.6176.60110G220 I221 T594K217-G220 WeakPolarHBondContact CE-O 3.39Å; K217-I221 CarbonylContact C-O 3.49Å; K217-I221 VanDerWaalsContact CA-O 3.3Å; K217-I221 WeakPolarHBondContact CA-O 3.43Å; K217-T594 WeakPolarHBondContact O-CB 3.21Å
218I95.1Very high93.7Very high6 Ų647 Ų473%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-115.2126.2179.4-49.5175.4000107.8S216 G220 I221 Y223 V382 T594S216-I218 PolarHBondContact O-N 3.09Å; I218-G220 PolarHBondContact O-N 2.87Å; I218-I221 PolarHBondContact N-O 3.16Å; I218-I221 PolarHBondContact O-N 3.44Å; I218-I221 VanDerWaalsContact O-O 3.12Å; I218-Y223 HydrophobicContact CB-CD2 3.86Å; I218-Y223 HydrophobicContact CB-CE2 3.89Å; I218-Y223 HydrophobicContact CD1-CD2 4.08Å; I218-Y223 HydrophobicContact CG1-CD2 4.06Å; I218-V382 HydrophobicContact CD1-CG1 4.23Å; I218-V382 HydrophobicContact CG2-CG1 4.32Å; I218-T594 CarbonylContact C-O 3.59Å; I218-T594 WeakPolarHBondContact CA-O 3.48Å
219N93.2Very high93.3Very high41 Ų4151 Ų5122%0.21927%0.267CS..THydrogen-bonded Turntrans52.537.1-175.4-70.7-58.7000113.1I221 V382 G384 T594 K596N219-I221 PolarHBondContact O-N 3.05Å; N219-V382 PolarHBondContact ND2-O 3.45Å; N219-G384 PolarHBondContact ND2-N 3.42Å; N219-T594 PolarHBondContact N-O 3.39Å; N219-K596 WeakPolarHBondContact OD1-CB 3.12Å; N219-K596 PolarHBondContact OD1-N 2.95Å
220G92.3Very high93Very high41 Ų4148 Ų4842%0.42325%0.251SS..THydrogen-bonded Turntrans78.5-15.2-176.400000115.6K217 I218K217-G220 WeakPolarHBondContact CE-O 3.39Å; I218-G220 PolarHBondContact O-N 2.87Å
221I94.9Very high92.6Very high22 Ų2248.2 Ų48.211%0.11326%0.255CS..EExtended strand (participates in β ladder)trans-92.4137.1-178-60.6178.5000110.4K217 I218 N219 Y223 W245 K381K217-I221 CarbonylContact C-O 3.49Å; K217-I221 VanDerWaalsContact CA-O 3.3Å; K217-I221 WeakPolarHBondContact CA-O 3.43Å; I218-I221 PolarHBondContact N-O 3.16Å; I218-I221 PolarHBondContact O-N 3.44Å; I218-I221 VanDerWaalsContact O-O 3.12Å; N219-I221 PolarHBondContact O-N 3.05Å; I221-Y223 HydrophobicContact CB-CE2 3.74Å; I221-Y223 HydrophobicContact CG2-CD1 4.46Å; I221-Y223 HydrophobicContact CG2-CD2 4.38Å; I221-Y223 HydrophobicContact CG2-CE1 3.78Å; I221-Y223 HydrophobicContact CG2-CE2 3.69Å; I221-Y223 WeakPolarHBondContact CG2-OH 3.2Å; I221-Y223 WeakPolarHBondContact O-CD2 2.64Å; I221-Y223 WeakPolarHBondContact O-CE2 3.29Å; I221-W245 HydrophobicContact CB-CZ2 4.35Å; I221-W245 HydrophobicContact CD1-CB 4.09Å; I221-W245 HydrophobicContact CD1-CD2 4.12Å; I221-W245 HydrophobicContact CD1-CG 3.87Å; I221-W245 HydrophobicContact CG1-CD2 3.76Å; I221-W245 HydrophobicContact CG1-CE3 4.06Å; I221-W245 HydrophobicContact CG1-CG 4.05Å; I221-W245 HydrophobicContact CG1-CZ2 4.28Å; I221-W245 HydrophobicContact CG1-CZ3 4.44Å; I221-W245 HydrophobicContact CG2-CD2 4.42Å; I221-W245 HydrophobicContact CG2-CZ2 4.15Å; I221-K381 HydrophobicContact CD1-CG 4.39Å
222E95.3Very high92.1Very high106 Ų10655.7 Ų55.750%0.49528%0.282SS..EExtended strand (participates in β ladder)trans-84.5124.4176.3-179.8178-126.500112.2V224E222-V224 HydrophobicContact CG-CG1 4.02Å
223Y95.7Very high91.8Very high5 Ų557.3 Ų57.32%0.0229%0.29CS..  trans-120.699.7171.1-53.8-78.2000109S216 I218 I221 R343 V345 K381 V382S216-Y223 VanDerWaalsContact CB-O 3.3Å; S216-Y223 WeakPolarHBondContact CB-O 3.16Å; S216-Y223 PolarHBondContact O-N 2.79Å; I218-Y223 HydrophobicContact CB-CD2 3.86Å; I218-Y223 HydrophobicContact CB-CE2 3.89Å; I218-Y223 HydrophobicContact CD1-CD2 4.08Å; I218-Y223 HydrophobicContact CG1-CD2 4.06Å; I221-Y223 HydrophobicContact CB-CE2 3.74Å; I221-Y223 HydrophobicContact CG2-CD1 4.46Å; I221-Y223 HydrophobicContact CG2-CD2 4.38Å; I221-Y223 HydrophobicContact CG2-CE1 3.78Å; I221-Y223 HydrophobicContact CG2-CE2 3.69Å; I221-Y223 WeakPolarHBondContact CG2-OH 3.2Å; I221-Y223 WeakPolarHBondContact O-CD2 2.64Å; I221-Y223 WeakPolarHBondContact O-CE2 3.29Å; Y223-R343 WeakPolarHBondContact O-CD 3.12Å; Y223-R343 PolarHBondContact O-NH1 2.86Å; Y223-V345 HydrophobicContact CD1-CG1 4.46Å; Y223-V345 HydrophobicContact CD1-CG2 3.97Å; Y223-V345 HydrophobicContact CE1-CG1 4.05Å; Y223-V345 HydrophobicContact CE1-CG2 4.29Å; Y223-K381 WeakPolarHBondContact OH-CG 3.13Å; Y223-K381 PolarHBondContact OH-O 3.35Å; Y223-K381 VanDerWaalsContact OH-O 3.06Å; Y223-V382 HydrophobicContact CD1-CG2 4.25Å; Y223-V382 HydrophobicContact CE1-CG2 3.88Å; Y223-V382 HydrophobicContact CE2-CG2 4.26Å
224V90.1Very high91.6Very high52 Ų5253.8 Ų53.832%0.31528%0.276SS..PPolyproline II helixtrans-73.5152.6178.9-630000111.5E222 R343 K344E222-V224 HydrophobicContact CG-CG1 4.02Å; V224-R343 VanDerWaalsContact O-CA 3.27Å; V224-R343 WeakPolarHBondContact O-CA 3.43Å; V224-R343 WeakPolarHBondContact O-CB 3.1Å; V224-K344 HydrophobicContact CG2-CD 4.44Å; V224-K344 HydrophobicContact CG2-CG 4Å; V224-K344 PolarHBondContact O-N 3.06Å
225P92.2Very high91.5Very high36 Ų3651.3 Ų51.323%0.23426%0.26CS..BIsolated β-bridgetrans-52.7140.7167.8-24.435000111.5V341 P342P225-V341 HydrophobicContact CB-CG2 4.25Å; P225-V341 HydrophobicContact CG-CG2 4.26Å; P225-P342 CarbonylContact C-O 3.34Å; P225-P342 WeakPolarHBondContact CA-O 3.25Å
226F92.2Very high91.3Very high24 Ų2451.3 Ų51.311%0.10526%0.26CS..PPolyproline II helixtrans-74.2124.1178.8-171.3-76.3000109.8D230 L231 Y316 M333 K335 P342 K344F226-D230 WeakPolarHBondContact CA-OD2 3.46Å; F226-D230 HydrophobicContact CD2-CB 4.41Å; F226-D230 HydrophobicContact CE2-CB 4.21Å; F226-D230 HydrophobicContact CZ-CB 4.28Å; F226-L231 HydrophobicContact CE1-CD2 4.07Å; F226-L231 HydrophobicContact CE1-CG 4.41Å; F226-L231 HydrophobicContact CZ-CD2 3.87Å; F226-Y316 AromaticContact CE2-CE2 3.97Å; F226-Y316 HydrophobicContact CE2-CE2 3.97Å; F226-Y316 HydrophobicContact CZ-CE2 4.04Å; F226-Y316 AromaticContact CZ-CZ 3.9Å; F226-M333 HydrophobicContact CE2-CE 3.69Å; F226-M333 HydrophobicContact CE2-SD 4.13Å; F226-M333 HydrophobicContact CZ-CE 4.26Å; F226-K335 HydrophobicContact CB-CG 4.46Å; F226-K335 HydrophobicContact CD1-CD 4.07Å; F226-K335 HydrophobicContact CD2-CB 4.04Å; F226-K335 HydrophobicContact CD2-CD 3.81Å; F226-K335 HydrophobicContact CD2-CG 3.75Å; F226-K335 HydrophobicContact CE1-CD 4.13Å; F226-K335 HydrophobicContact CE2-CB 4.14Å; F226-K335 HydrophobicContact CE2-CD 3.87Å; F226-K335 HydrophobicContact CE2-CG 4.14Å; F226-K335 HydrophobicContact CG-CD 3.93Å; F226-K335 HydrophobicContact CG-CG 4.07Å; F226-K335 HydrophobicContact CZ-CD 4.04Å; F226-P342 HydrophobicContact CB-CB 4.07Å; F226-P342 PolarHBondContact N-O 3.39Å; F226-K344 HydrophobicContact CD2-CB 4.06Å
227M88.4Confident91Very high83 Ų8354 Ų5441%0.40927%0.27SS..  trans-128.1164.2-173.5-65-69.5-82.400110.9V229 D230M227-V229 HydrophobicContact CB-CG1 4.12Å; M227-V229 PolarHBondContact O-N 3.29Å; M227-V229 VanDerWaalsContact O-N 3.08Å; M227-D230 PolarHBondContact N-OD2 3.49Å; M227-D230 VanDerWaalsContact O-CB 3.3Å; M227-D230 WeakPolarHBondContact O-CB 3.5Å; M227-D230 PolarHBondContact O-N 3.12Å
228N84.9Confident90.4Very high53 Ų5349.5 Ų49.528%0.28325%0.253SS..G310 helixtrans-59.4-24.7-178.8-82.636.8000114.1P194 Q195 S196 D230 L231P194-N228 PolarHBondContact O-ND2 3.13Å; Q195-N228 VanDerWaalsContact C-OD1 3.3Å; Q195-N228 WeakPolarHBondContact CA-OD1 3.43Å; S196-N228 PolarHBondContact N-OD1 2.99Å; N228-D230 VanDerWaalsContact C-N 3.26Å; N228-D230 PolarHBondContact O-N 3.12Å; N228-L231 WeakPolarHBondContact O-CB 3.21Å; N228-L231 PolarHBondContact O-N 2.85Å
229V86.1Confident90Very high102 Ų10255.7 Ų55.762%0.61828%0.283SS*.G310 helixtrans-67.4-25.8173.965.90000112.5M227 L231 R232M227-V229 HydrophobicContact CB-CG1 4.12Å; M227-V229 PolarHBondContact O-N 3.29Å; M227-V229 VanDerWaalsContact O-N 3.08Å; V229-L231 PolarHBondContact O-N 2.92Å; V229-R232 WeakPolarHBondContact O-CB 3.45Å; V229-R232 PolarHBondContact O-N 3.03Å
230D88.7Confident90Very high11 Ų1155 Ų556%0.05928%0.282CS..G310 helixtrans-73.5-14.5178.7-55.7-39.4000112.6F226 M227 N228 R232 E233 M333 K344F226-D230 WeakPolarHBondContact CA-OD2 3.46Å; F226-D230 HydrophobicContact CD2-CB 4.41Å; F226-D230 HydrophobicContact CE2-CB 4.21Å; F226-D230 HydrophobicContact CZ-CB 4.28Å; M227-D230 PolarHBondContact N-OD2 3.49Å; M227-D230 VanDerWaalsContact O-CB 3.3Å; M227-D230 WeakPolarHBondContact O-CB 3.5Å; M227-D230 PolarHBondContact O-N 3.12Å; N228-D230 VanDerWaalsContact C-N 3.26Å; N228-D230 PolarHBondContact O-N 3.12Å; D230-R232 PolarHBondContact O-N 2.97Å; D230-E233 VanDerWaalsContact O-CB 3.25Å; D230-E233 WeakPolarHBondContact O-CB 3.49Å; D230-E233 PolarHBondContact O-N 3.44Å; D230-M333 HydrophobicContact CB-CE 4.47Å; D230-M333 HydrophobicContact CB-SD 4.44Å; D230-M333 WeakPolarHBondContact O-CE 3.19Å; D230-K344 HydrophobicContact CB-CD 4.14Å; D230-K344 VanDerWaalsContact OD1-CE 3.22Å; D230-K344 WeakPolarHBondContact OD1-CE 3.18Å; D230-K344 IonicContact OD1-NZ 2.79Å; D230-K344 PolarHBondContact OD1-NZ 2.84Å
231L86.9Confident90.1Very high85 Ų8555.2 Ų55.245%0.44527%0.271SS..G310 helixtrans-71.7-6.9167.4-58.2173.1000112.4P194 F226 N228 V229 Y316P194-L231 HydrophobicContact CG-CD1 4.35Å; F226-L231 HydrophobicContact CE1-CD2 4.07Å; F226-L231 HydrophobicContact CE1-CG 4.41Å; F226-L231 HydrophobicContact CZ-CD2 3.87Å; N228-L231 WeakPolarHBondContact O-CB 3.21Å; N228-L231 PolarHBondContact O-N 2.85Å; V229-L231 PolarHBondContact O-N 2.92Å; L231-Y316 HydrophobicContact CD2-CE1 3.97Å
232R85.1Confident90.1Very high164 Ų16457.7 Ų57.762%0.61929%0.289SS*.G310 helixtrans-110.919.5170.2-54.7-176.1178.9-148.7-4.9112.2N105 V229 D230 R234N105-R232 PolarHBondContact OD1-NH1 3.04Å; V229-R232 WeakPolarHBondContact O-CB 3.45Å; V229-R232 PolarHBondContact O-N 3.03Å; D230-R232 PolarHBondContact O-N 2.97Å; R232-R234 PolarHBondContact O-N 3.25Å
233E90.5Very high90Very high41 Ų4153.3 Ų53.319%0.19227%0.269CS..  trans-63.3115.8173.3-179.675.9-129.700109.2D230 F235 K331 M333 K344D230-E233 VanDerWaalsContact O-CB 3.25Å; D230-E233 WeakPolarHBondContact O-CB 3.49Å; D230-E233 PolarHBondContact O-N 3.44Å; E233-F235 HydrophobicContact CB-CE2 4.04Å; E233-F235 HydrophobicContact CB-CZ 4.09Å; E233-F235 HydrophobicContact CG-CE1 4.33Å; E233-F235 HydrophobicContact CG-CE2 4.23Å; E233-F235 HydrophobicContact CG-CZ 3.87Å; E233-F235 WeakPolarHBondContact O-CD2 3.31Å; E233-F235 WeakPolarHBondContact O-CE2 3.31Å; E233-F235 PolarHBondContact O-N 3.14Å; E233-K331 WeakPolarHBondContact OE1-CE 3.43Å; E233-K331 IonicContact OE1-NZ 3.99Å; E233-K331 PolarHBondContact OE1-NZ 3.39Å; E233-M333 HydrophobicContact CB-CE 4.35Å; E233-M333 HydrophobicContact CG-SD 4.41Å; E233-K344 IonicContact OE2-NZ 3.77Å; E233-K344 PolarHBondContact OE2-NZ 3.37Å
234R90.8Very high89.9Confident60 Ų6061.8 Ų61.823%0.22630%0.301CS..  trans-65.6128.6-179.2175.2165.5162.9-170-2.6111.6E111 L112 E115 R232 A236 Y237 K331E111-R234 IonicContact OE1-CZ 2.76Å; E111-R234 VanDerWaalsContact OE1-CZ 3.23Å; E111-R234 IonicContact OE1-NH1 2.63Å; E111-R234 PolarHBondContact OE1-NH1 3.19Å; E111-R234 IonicContact OE1-NH2 2.79Å; E111-R234 PolarHBondContact OE1-NH2 3.22Å; E111-R234 IonicContact OE2-CZ 4Å; E111-R234 IonicContact OE2-NH1 2.73Å; E111-R234 PolarHBondContact OE2-NH1 3.34Å; E111-R234 IonicContact OE2-NH2 3.19Å; L112-R234 HydrophobicContact CD2-CG 4.49Å; E115-R234 IonicContact OE1-NH2 3.79Å; E115-R234 PolarHBondContact OE1-NH2 3.08Å; E115-R234 IonicContact OE2-CZ 3.72Å; E115-R234 IonicContact OE2-NH2 3.95Å; E115-R234 PolarHBondContact OE2-NH2 3.19Å; R232-R234 PolarHBondContact O-N 3.25Å; R234-A236 PolarHBondContact NE-O 2.86Å; R234-Y237 HydrophobicContact CG-CE1 4.48Å; R234-Y237 HydrophobicContact CG-CE2 4.47Å; R234-Y237 WeakPolarHBondContact O-CE2 3.47Å; R234-Y237 PolarHBondContact O-OH 3.2Å; R234-K331 WeakPolarHBondContact O-CD 3.33Å; R234-K331 PolarHBondContact O-NZ 2.81Å
235F92.9Very high90Very high12 Ų1265.2 Ų65.25%0.05331%0.308CS..  trans-108.1-23.3-179.7-72.4-73.9000114.7F92 E233 Y237 P317 N327 K331 M333F92-F235 HydrophobicContact CE1-CB 4.27Å; F92-F235 HydrophobicContact CZ-CB 4.4Å; E233-F235 HydrophobicContact CB-CE2 4.04Å; E233-F235 HydrophobicContact CB-CZ 4.09Å; E233-F235 HydrophobicContact CG-CE1 4.33Å; E233-F235 HydrophobicContact CG-CE2 4.23Å; E233-F235 HydrophobicContact CG-CZ 3.87Å; E233-F235 WeakPolarHBondContact O-CD2 3.31Å; E233-F235 WeakPolarHBondContact O-CE2 3.31Å; E233-F235 PolarHBondContact O-N 3.14Å; F235-Y237 WeakPolarHBondContact O-CD2 3.4Å; F235-P317 HydrophobicContact CB-CB 4.11Å; F235-P317 HydrophobicContact CB-CG 4.08Å; F235-P317 HydrophobicContact CD1-CB 4.38Å; F235-P317 HydrophobicContact CD1-CG 4.24Å; F235-P317 HydrophobicContact CD2-CB 3.61Å; F235-P317 HydrophobicContact CD2-CG 4.3Å; F235-P317 HydrophobicContact CE2-CB 4.13Å; F235-P317 HydrophobicContact CG-CB 3.76Å; F235-P317 HydrophobicContact CG-CG 3.93Å; F235-N327 PolarHBondContact O-ND2 3.18Å; F235-K331 HydrophobicContact CD1-CB 4.28Å; F235-K331 HydrophobicContact CD1-CD 4.18Å; F235-K331 HydrophobicContact CD1-CG 4.04Å; F235-K331 WeakPolarHBondContact CD1-O 3.17Å; F235-K331 HydrophobicContact CE1-CG 4.35Å; F235-M333 HydrophobicContact CE1-CB 3.94Å; F235-M333 HydrophobicContact CZ-CB 3.81Å; F235-M333 HydrophobicContact CZ-CE 4.15Å
236A90.6Very high90Very high1 Ų165.3 Ų65.31%0.00832%0.316CS..  trans-89.5136.2-179.200000112.5F92 L93 Q96 L112 R234F92-A236 HydrophobicContact CD1-CB 3.63Å; F92-A236 HydrophobicContact CE1-CB 3.75Å; L93-A236 HydrophobicContact CD2-CB 3.62Å; L93-A236 HydrophobicContact CG-CB 4.02Å; Q96-A236 HydrophobicContact CB-CB 4.1Å; Q96-A236 HydrophobicContact CG-CB 4.11Å; L112-A236 HydrophobicContact CD2-CB 4.13Å; R234-A236 PolarHBondContact NE-O 2.86Å
237Y89Confident90.1Very high64 Ų6469.6 Ų69.625%0.25133%0.334SS..  trans-152.7145.5179.5-61.9-84.4000110.3R234 F235 M239 C329 K331R234-Y237 HydrophobicContact CG-CE1 4.48Å; R234-Y237 HydrophobicContact CG-CE2 4.47Å; R234-Y237 WeakPolarHBondContact O-CE2 3.47Å; R234-Y237 PolarHBondContact O-OH 3.2Å; F235-Y237 WeakPolarHBondContact O-CD2 3.4Å; Y237-M239 VanDerWaalsContact C-N 3.31Å; Y237-M239 PolarHBondContact O-N 3.11Å; Y237-C329 PolarHBondContact N-SG 2.94Å; Y237-C329 PolarHBondContact O-SG 3.25Å; Y237-K331 HydrophobicContact CD2-CD 4.47Å; Y237-K331 HydrophobicContact CE2-CD 3.57Å; Y237-K331 PolarHBondContact OH-NZ 3.48Å
238P82.9Confident90.4Very high30 Ų3066.5 Ų66.520%0.19532%0.319CS..SBendtrans-62.3-37.2178.7-27.436.1000114R89 L93 E115 L119R89-P238 PolarHBondContact NH1-O 3.01Å; L93-P238 HydrophobicContact CD1-CG 4.27Å; E115-P238 HydrophobicContact CB-CG 3.83Å; E115-P238 VanDerWaalsContact CD-CD 3.44Å; E115-P238 HydrophobicContact CG-CG 3.93Å; E115-P238 WeakPolarHBondContact OE1-CD 3.47Å; E115-P238 WeakPolarHBondContact OE2-CD 3.14Å; L119-P238 HydrophobicContact CB-CB 4.46Å; L119-P238 HydrophobicContact CD2-CB 4.46Å
239M88.3Confident90.8Very high136 Ų13666.9 Ų66.967%0.6732%0.324SS*.SBendtrans-99.8139.5177.9-68.1-62.4-61.500110.4Y237 F241Y237-M239 VanDerWaalsContact C-N 3.31Å; Y237-M239 PolarHBondContact O-N 3.11Å; M239-F241 PolarHBondContact O-N 2.54Å
240P91.8Very high91.2Very high28 Ų2862.6 Ų62.618%0.18230%0.298CS..PPolyproline II helixtrans-55.5125.9174.2-27.535.6000112.7R263P240-R263 VanDerWaalsContact CB-CZ 3.46Å; P240-R263 PolarHBondContact O-NH2 3.18Å
241F95.7Very high91.3Very high45 Ų4562.3 Ų62.320%0.19730%0.297CS..PPolyproline II helixtrans-60.5142.6-178.6178.1-98000111.8M239 R263 C329 K331 I346 D348M239-F241 PolarHBondContact O-N 2.54Å; F241-R263 VanDerWaalsContact O-CZ 3.31Å; F241-R263 PolarHBondContact O-NH1 2.91Å; F241-R263 PolarHBondContact O-NH2 3.05Å; F241-C329 WeakPolarHBondContact CB-O 3.49Å; F241-C329 PolarHBondContact N-O 3.34Å; F241-K331 HydrophobicContact CB-CB 3.69Å; F241-K331 HydrophobicContact CB-CG 4.47Å; F241-K331 HydrophobicContact CD1-CB 3.71Å; F241-K331 HydrophobicContact CD1-CG 3.74Å; F241-K331 HydrophobicContact CD2-CB 4.17Å; F241-K331 HydrophobicContact CD2-CD 3.92Å; F241-K331 HydrophobicContact CD2-CG 4.05Å; F241-K331 HydrophobicContact CE1-CB 4.38Å; F241-K331 HydrophobicContact CE1-CG 3.91Å; F241-K331 HydrophobicContact CE2-CD 3.98Å; F241-K331 HydrophobicContact CE2-CG 4.19Å; F241-K331 HydrophobicContact CG-CB 3.59Å; F241-K331 HydrophobicContact CG-CD 4.2Å; F241-K331 HydrophobicContact CG-CG 3.83Å; F241-K331 HydrophobicContact CZ-CD 4.32Å; F241-K331 HydrophobicContact CZ-CG 4.13Å; F241-I346 HydrophobicContact CE1-CG2 3.99Å; F241-I346 HydrophobicContact CZ-CG2 3.8Å; F241-D348 HydrophobicContact CD1-CB 3.73Å; F241-D348 HydrophobicContact CE1-CB 4.18Å; F241-D348 WeakPolarHBondContact O-CB 3.41Å
242C94.8Very high91.6Very high73 Ų7363 Ų6349%0.49331%0.307SS..  trans-126.3138.9174.6-71.10000109R244 R263 D348C242-R244 PolarHBondContact O-N 3.25Å; C242-R263 PolarHBondContact SG-NH2 2.67Å; C242-R263 VanDerWaalsContact SG-NH2 3.41Å; C242-D348 WeakPolarHBondContact CA-OD2 3.3Å
243D93.6Very high91.8Very high14 Ų1462.6 Ų62.68%0.07531%0.31CS..  trans-65127.4179.2-157.8-41.8000110.9W245 G246 D348 K381D243-W245 PolarHBondContact O-N 3Å; D243-W245 PolarHBondContact OD1-N 2.93Å; D243-G246 PolarHBondContact O-N 2.98Å; D243-D348 HydrophobicContact CB-CB 4.49Å; D243-D348 PolarHBondContact N-OD2 3.09Å; D243-K381 IonicContact OD1-NZ 2.74Å; D243-K381 PolarHBondContact OD1-NZ 2.9Å; D243-K381 WeakPolarHBondContact OD2-CE 3.27Å; D243-K381 IonicContact OD2-NZ 2.84Å; D243-K381 PolarHBondContact OD2-NZ 2.62Å
244R93Very high91.9Very high183 Ų18360.7 Ų60.769%0.69130%0.3SS*.THydrogen-bonded Turntrans-61.2-18.4-178.678.3-177.2-166.7-1553.4113.5C242C242-R244 PolarHBondContact O-N 3.25Å
245W91.6Very high92.1Very high125 Ų12563.9 Ų63.947%0.47332%0.316SS..THydrogen-bonded Turntrans-95.20.8177.2-58.6101.4000113.4I221 D243I221-W245 HydrophobicContact CB-CZ2 4.35Å; I221-W245 HydrophobicContact CD1-CB 4.09Å; I221-W245 HydrophobicContact CD1-CD2 4.12Å; I221-W245 HydrophobicContact CD1-CG 3.87Å; I221-W245 HydrophobicContact CG1-CD2 3.76Å; I221-W245 HydrophobicContact CG1-CE3 4.06Å; I221-W245 HydrophobicContact CG1-CG 4.05Å; I221-W245 HydrophobicContact CG1-CZ2 4.28Å; I221-W245 HydrophobicContact CG1-CZ3 4.44Å; I221-W245 HydrophobicContact CG2-CD2 4.42Å; I221-W245 HydrophobicContact CG2-CZ2 4.15Å; D243-W245 PolarHBondContact O-N 3Å; D243-W245 PolarHBondContact OD1-N 2.93Å
246G91.9Very high92.1Very high37 Ų3768.6 Ų68.638%0.38135%0.346SS..  trans76.5-157.4-178.900000113.6D243D243-G246 PolarHBondContact O-N 2.98Å
247K94.1Very high92.3Very high114 Ų11471 Ų7150%0.49636%0.36SS..SBendtrans-91.1141.1-171.3-43.4-160.7-170.9-154.90110.7W261 Q350K247-W261 HydrophobicContact CB-CD2 4.29Å; K247-W261 HydrophobicContact CB-CH2 4.34Å; K247-W261 HydrophobicContact CB-CZ2 3.85Å; K247-W261 HydrophobicContact CD-CB 4.12Å; K247-W261 HydrophobicContact CD-CD2 3.79Å; K247-W261 HydrophobicContact CD-CG 3.51Å; K247-Q350 VanDerWaalsContact CE-OE1 3.28Å
248L94.4Very high92.6Very high18 Ų1870.6 Ų70.69%0.09436%0.36CS..PPolyproline II helixtrans-63.7141.3-175.1-57.5-171.3000111.8L250 W261 K377 M380 K381 Y386L248-L250 PolarHBondContact O-N 2.73Å; L248-W261 HydrophobicContact CB-CH2 4.26Å; L248-W261 WeakPolarHBondContact O-CZ2 3.49Å; L248-K377 HydrophobicContact CD1-CG 3.87Å; L248-M380 HydrophobicContact CD1-CB 4.11Å; L248-K381 HydrophobicContact CD1-CB 4.12Å; L248-K381 HydrophobicContact CD2-CB 3.78Å; L248-K381 HydrophobicContact CD2-CG 3.8Å; L248-Y386 HydrophobicContact CB-CD2 3.91Å; L248-Y386 HydrophobicContact CB-CE2 4.11Å; L248-Y386 HydrophobicContact CD1-CD2 4.15Å; L248-Y386 HydrophobicContact CD1-CE2 3.83Å; L248-Y386 HydrophobicContact CG-CE2 4.44Å
249P94.1Very high93.3Very high61 Ų6171.9 Ų71.940%0.39637%0.37SS..PPolyproline II helixtrans-53.9126.3169.6-26.534.7000111.2Y386 D387P249-Y386 PolarHBondContact O-N 2.89Å; P249-D387 PolarHBondContact O-N 2.71Å
250L94.4Very high93.7Very high13 Ų1370.5 Ų70.57%0.06836%0.36CS..PPolyproline II helixtrans-84.6145.1176.2-65.4177.5000111.3L248 Q254 K255 F258 W261 P352 Y386L248-L250 PolarHBondContact O-N 2.73Å; L250-Q254 HydrophobicContact CB-CB 4.01Å; L250-Q254 HydrophobicContact CD2-CB 4.35Å; L250-K255 HydrophobicContact CB-CG 3.96Å; L250-K255 WeakPolarHBondContact O-CE 3.5Å; L250-K255 PolarHBondContact O-NZ 3.4Å; L250-F258 HydrophobicContact CD1-CB 4.03Å; L250-F258 HydrophobicContact CD1-CD1 4.17Å; L250-F258 HydrophobicContact CD1-CD2 3.38Å; L250-F258 HydrophobicContact CD1-CE2 3.83Å; L250-F258 HydrophobicContact CD1-CG 3.57Å; L250-F258 HydrophobicContact CD1-CZ 4.41Å; L250-W261 HydrophobicContact CD1-CZ2 4.36Å; L250-W261 HydrophobicContact CD2-CH2 4.09Å; L250-W261 HydrophobicContact CD2-CZ2 3.74Å; L250-W261 HydrophobicContact CG-CZ2 4.04Å; L250-P352 HydrophobicContact CD2-CB 3.91Å; L250-P352 HydrophobicContact CD2-CG 4.07Å; L250-Y386 HydrophobicContact CD2-CD2 4.02Å
251S91.9Very high93.9Very high5 Ų571 Ų714%0.03536%0.358CS..PPolyproline II helixtrans-63.2159174.490.30000111.7K253 Q254 K255 Y386S251-K253 PolarHBondContact O-N 2.73Å; S251-K253 PolarHBondContact OG-N 3.14Å; S251-Q254 PolarHBondContact O-N 2.95Å; S251-Q254 VanDerWaalsContact O-N 3.11Å; S251-Q254 PolarHBondContact OG-N 3.21Å; S251-Q254 VanDerWaalsContact OG-N 3.08Å; S251-K255 WeakPolarHBondContact O-CG 3.28Å; S251-K255 PolarHBondContact O-N 2.94Å; S251-Y386 VanDerWaalsContact CB-O 3.31Å; S251-Y386 WeakPolarHBondContact CB-O 3.41Å
252P91.6Very high93.9Very high100 Ų10069 Ų6965%0.64935%0.35SS*.Hα-helixtrans-55.9-34.1172.2-25.735.4000113.1
253K89.5Confident93.9Very high155 Ų15566.9 Ų66.967%0.67433%0.332SS*.Hα-helixtrans-71.2-33.5176.6-66.9-177.3178.1178.90112.8S251 T256S251-K253 PolarHBondContact O-N 2.73Å; S251-K253 PolarHBondContact OG-N 3.14Å; K253-T256 PolarHBondContact O-OG1 3.46Å; K253-T256 VanDerWaalsContact O-OG1 3.04Å
254Q93.2Very high93.9Very high0 Ų066.3 Ų66.30%033%0.328CS..Hα-helixtrans-74-39175.1-71.6169.9-33.400112L250 S251 T256 T257 F258 I286 L360L250-Q254 HydrophobicContact CB-CB 4.01Å; L250-Q254 HydrophobicContact CD2-CB 4.35Å; S251-Q254 PolarHBondContact O-N 2.95Å; S251-Q254 VanDerWaalsContact O-N 3.11Å; S251-Q254 PolarHBondContact OG-N 3.21Å; S251-Q254 VanDerWaalsContact OG-N 3.08Å; Q254-T256 PolarHBondContact O-N 2.84Å; Q254-T256 VanDerWaalsContact O-N 3.15Å; Q254-T257 PolarHBondContact O-N 2.83Å; Q254-F258 WeakPolarHBondContact O-CB 3.5Å; Q254-F258 PolarHBondContact O-N 3.07Å; Q254-I286 HydrophobicContact CB-CD1 4.18Å; Q254-I286 HydrophobicContact CG-CD1 3.71Å; Q254-I286 HydrophobicContact CG-CG1 3.85Å; Q254-L360 HydrophobicContact CG-CB 4.32Å; Q254-L360 PolarHBondContact NE2-O 2.88Å
255K94.3Very high93.7Very high127 Ų12759 Ų5955%0.55230%0.302SS*.Hα-helixtrans-61.6-21.1-177.6-77.5165171.2147.40114.6L250 S251L250-K255 HydrophobicContact CB-CG 3.96Å; L250-K255 WeakPolarHBondContact O-CE 3.5Å; L250-K255 PolarHBondContact O-NZ 3.4Å; S251-K255 WeakPolarHBondContact O-CG 3.28Å; S251-K255 PolarHBondContact O-N 2.94Å
256T94.1Very high93.6Very high111 Ų11156.7 Ų56.768%0.68130%0.299SS*.THydrogen-bonded Turntrans-84-17.9179.453.80000114.4K253 Q254K253-T256 PolarHBondContact O-OG1 3.46Å; K253-T256 VanDerWaalsContact O-OG1 3.04Å; Q254-T256 PolarHBondContact O-N 2.84Å; Q254-T256 VanDerWaalsContact O-N 3.15Å
257T93.7Very high93.4Very high51 Ų5157.7 Ų57.731%0.31330%0.295SS..THydrogen-bonded Turntrans-120.3-13.2-179.857.40000113.6Q254 S259 D354 H355Q254-T257 PolarHBondContact O-N 2.83Å; T257-S259 PolarHBondContact O-N 2.96Å; T257-D354 WeakPolarHBondContact O-CA 3.47Å; T257-H355 PolarHBondContact O-CD2 3.22Å; T257-H355 PolarHBondContact O-N 2.98Å
258F96.5Very high92.9Very high57 Ų5753.4 Ų53.425%0.2528%0.279CS..EExtended strand (participates in β ladder)trans-58129.1-179.1169.1-94.2000113L250 Q254 K260 W261 P352 H355 L360L250-F258 HydrophobicContact CD1-CB 4.03Å; L250-F258 HydrophobicContact CD1-CD1 4.17Å; L250-F258 HydrophobicContact CD1-CD2 3.38Å; L250-F258 HydrophobicContact CD1-CE2 3.83Å; L250-F258 HydrophobicContact CD1-CG 3.57Å; L250-F258 HydrophobicContact CD1-CZ 4.41Å; Q254-F258 WeakPolarHBondContact O-CB 3.5Å; Q254-F258 PolarHBondContact O-N 3.07Å; F258-K260 VanDerWaalsContact CE2-O 3.23Å; F258-K260 WeakPolarHBondContact CE2-O 3.44Å; F258-W261 AromaticContact CE2-CD1 3.49Å; F258-W261 VanDerWaalsContact CE2-CD1 3.49Å; F258-W261 HydrophobicContact CE2-CG 4.12Å; F258-W261 AromaticContact CE2-NE1 3.48Å; F258-W261 AromaticContact CZ-CD1 3.38Å; F258-W261 HydrophobicContact CZ-CG 4.35Å; F258-W261 AromaticContact CZ-NE1 3.53Å; F258-P352 HydrophobicContact CD2-CB 4.08Å; F258-P352 HydrophobicContact CE2-CB 4.2Å; F258-H355 PolarHBondContact O-CE1 3.06Å; F258-H355 VanDerWaalsContact O-CE1 3.32Å; F258-L360 HydrophobicContact CB-CD1 3.98Å
259S96.8Very high92.4Very high57 Ų5754 Ų5440%0.39928%0.282SS..EExtended strand (participates in β ladder)trans-107.1-56.3179.2-170.70000111.8T257 V353 D354 H355T257-S259 PolarHBondContact O-N 2.96Å; S259-V353 PolarHBondContact N-O 2.68Å; S259-D354 WeakPolarHBondContact CB-O 3.16Å; S259-H355 VanDerWaalsContact CB-ND1 3.31Å; S259-H355 WeakPolarHBondContact CB-ND1 3.14Å; S259-H355 PolarHBondContact OG-ND1 2.88Å
260K96.6Very high91.9Very high107 Ų10754 Ų5447%0.46528%0.279SS..EExtended strand (participates in β ladder)trans-158.1169.2-179.255.6165179.7161.40111.3F258 V262 V353F258-K260 VanDerWaalsContact CE2-O 3.23Å; F258-K260 WeakPolarHBondContact CE2-O 3.44Å; K260-V262 HydrophobicContact CD-CG1 3.68Å; K260-V262 HydrophobicContact CG-CG1 3.97Å; K260-V353 HydrophobicContact CG-CG2 3.87Å; K260-V353 WeakPolarHBondContact O-CG2 3.42Å; K260-V353 PolarHBondContact O-N 2.78Å
261W96.6Very high91.7Very high38 Ų3854.1 Ų54.114%0.14428%0.281CS..EExtended strand (participates in β ladder)trans-93.5146.1161-64.679.9000109K247 L248 L250 F258 Q350 L351 P352 Y386K247-W261 HydrophobicContact CB-CD2 4.29Å; K247-W261 HydrophobicContact CB-CH2 4.34Å; K247-W261 HydrophobicContact CB-CZ2 3.85Å; K247-W261 HydrophobicContact CD-CB 4.12Å; K247-W261 HydrophobicContact CD-CD2 3.79Å; K247-W261 HydrophobicContact CD-CG 3.51Å; L248-W261 HydrophobicContact CB-CH2 4.26Å; L248-W261 WeakPolarHBondContact O-CZ2 3.49Å; L250-W261 HydrophobicContact CD1-CZ2 4.36Å; L250-W261 HydrophobicContact CD2-CH2 4.09Å; L250-W261 HydrophobicContact CD2-CZ2 3.74Å; L250-W261 HydrophobicContact CG-CZ2 4.04Å; F258-W261 AromaticContact CE2-CD1 3.49Å; F258-W261 VanDerWaalsContact CE2-CD1 3.49Å; F258-W261 HydrophobicContact CE2-CG 4.12Å; F258-W261 AromaticContact CE2-NE1 3.48Å; F258-W261 AromaticContact CZ-CD1 3.38Å; F258-W261 HydrophobicContact CZ-CG 4.35Å; F258-W261 AromaticContact CZ-NE1 3.53Å; W261-Q350 HydrophobicContact CB-CB 4.45Å; W261-Q350 HydrophobicContact CE3-CB 4.16Å; W261-Q350 VanDerWaalsContact CE3-O 3.3Å; W261-Q350 WeakPolarHBondContact CZ3-O 3.35Å; W261-L351 CarbonylContact C-O 3.53Å; W261-L351 VanDerWaalsContact CA-O 3.3Å; W261-L351 WeakPolarHBondContact CA-O 3.37Å; W261-P352 HydrophobicContact CD2-CB 4.27Å; W261-P352 HydrophobicContact CE3-CB 4.21Å; W261-P352 HydrophobicContact CH2-CB 4.26Å; W261-P352 HydrophobicContact CH2-CG 4.23Å; W261-P352 HydrophobicContact CZ2-CB 4.3Å; W261-P352 HydrophobicContact CZ3-CB 4.22Å; W261-P352 HydrophobicContact CZ3-CG 4.13Å; W261-Y386 HydrophobicContact CH2-CD2 4.49Å; W261-Y386 HydrophobicContact CH2-CE2 4.08Å
262V95.4Very high91.5Very high4 Ų456.2 Ų56.22%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-140.9155.8-176.1-720000110.7K260 D266 L267 Q350 L351 V353K260-V262 HydrophobicContact CD-CG1 3.68Å; K260-V262 HydrophobicContact CG-CG1 3.97Å; V262-D266 WeakPolarHBondContact CA-OD2 3.37Å; V262-D266 HydrophobicContact CB-CB 3.8Å; V262-D266 HydrophobicContact CG1-CB 4.02Å; V262-L267 HydrophobicContact CG2-CD1 3.88Å; V262-L267 HydrophobicContact CG2-CD2 4.11Å; V262-L267 HydrophobicContact CG2-CG 3.98Å; V262-Q350 CarbonylContact O-C 3.53Å; V262-Q350 WeakPolarHBondContact O-CA 3.3Å; V262-L351 PolarHBondContact N-O 2.88Å; V262-L351 PolarHBondContact O-N 2.96Å; V262-V353 HydrophobicContact CG1-CG2 3.89Å; V262-V353 HydrophobicContact CG2-CB 4.31Å; V262-V353 HydrophobicContact CG2-CG1 3.51Å; V262-V353 HydrophobicContact CG2-CG2 3.83Å
263R94.7Very high91.6Very high28 Ų2851.5 Ų51.511%0.10626%0.262CS..  trans-92.7167.5169.1-68.7-164.4-169.3-95.74.9111.1P240 F241 C242 E265 D266 D349 Q350P240-R263 VanDerWaalsContact CB-CZ 3.46Å; P240-R263 PolarHBondContact O-NH2 3.18Å; F241-R263 VanDerWaalsContact O-CZ 3.31Å; F241-R263 PolarHBondContact O-NH1 2.91Å; F241-R263 PolarHBondContact O-NH2 3.05Å; C242-R263 PolarHBondContact SG-NH2 2.67Å; C242-R263 VanDerWaalsContact SG-NH2 3.41Å; R263-E265 HydrophobicContact CB-CG 3.71Å; R263-E265 PolarHBondContact O-N 3.11Å; R263-D266 PolarHBondContact N-OD2 2.75Å; R263-D266 WeakPolarHBondContact O-CB 3.23Å; R263-D266 PolarHBondContact O-N 3.47Å; R263-D349 WeakPolarHBondContact CD-OD1 3.34Å; R263-D349 WeakPolarHBondContact CG-OD1 3.32Å; R263-D349 IonicContact CZ-OD1 2.82Å; R263-D349 IonicContact NE-OD1 2.75Å; R263-D349 IonicContact NH1-OD1 3.23Å; R263-D349 PolarHBondContact NH1-OD1 3.13Å; R263-Q350 HydrophobicContact CG-CG 4.27Å
264P93.1Very high91.5Very high1 Ų145.7 Ų45.71%0.00624%0.238CC..G310 helixtrans-53.1-37.4173.7-29.338000113.9D266 L267 T268 P271 Y326 D349 L370P264-D266 VanDerWaalsContact C-N 3.28Å; P264-D266 PolarHBondContact O-N 2.88Å; P264-L267 PolarHBondContact O-N 2.73Å; P264-T268 PolarHBondContact O-N 3.2Å; P264-P271 HydrophobicContact CB-CB 3.7Å; P264-P271 HydrophobicContact CB-CG 4.37Å; P264-Y326 HydrophobicContact CB-CE2 4.28Å; P264-Y326 HydrophobicContact CG-CE2 4.44Å; P264-D349 VanDerWaalsContact CD-CG 3.45Å; P264-D349 WeakPolarHBondContact CD-OD2 3.49Å; P264-D349 HydrophobicContact CG-CB 4.17Å; P264-L370 HydrophobicContact CB-CD1 3.79Å; P264-L370 HydrophobicContact CB-CD2 3.84Å; P264-L370 HydrophobicContact CB-CG 4.45Å; P264-L370 HydrophobicContact CG-CD1 3.49Å; P264-L370 VanDerWaalsContact CG-CD1 3.49Å; P264-L370 HydrophobicContact CG-CD2 3.77Å; P264-L370 HydrophobicContact CG-CG 4.28Å
265E90.3Very high90.8Very high30 Ų3048.9 Ų48.914%0.1425%0.251CS..G310 helixtrans-64.8-22.2176.652.9-177.8-159.200114.5L85 R263 L267L85-E265 HydrophobicContact CD1-CB 4.01Å; L85-E265 HydrophobicContact CD1-CG 4.29Å; L85-E265 HydrophobicContact CD2-CB 3.73Å; R263-E265 HydrophobicContact CB-CG 3.71Å; R263-E265 PolarHBondContact O-N 3.11Å; E265-L267 VanDerWaalsContact C-N 3.31Å
266D89.3Confident89.8Confident76 Ų7643.5 Ų43.541%0.40623%0.228SC..G310 helixtrans-80.2-11.6171.4-68.8-63.3000112.9L79 V262 R263 P264L79-D266 WeakPolarHBondContact CD1-O 3.44Å; V262-D266 WeakPolarHBondContact CA-OD2 3.37Å; V262-D266 HydrophobicContact CB-CB 3.8Å; V262-D266 HydrophobicContact CG1-CB 4.02Å; R263-D266 PolarHBondContact N-OD2 2.75Å; R263-D266 WeakPolarHBondContact O-CB 3.23Å; R263-D266 PolarHBondContact O-N 3.47Å; P264-D266 VanDerWaalsContact C-N 3.28Å; P264-D266 PolarHBondContact O-N 2.88Å
267L86.3Confident89.2Confident58 Ų5839.1 Ų39.130%0.30420%0.202SC..THydrogen-bonded Turntrans-114.2-31.5-170-68.8175.6000113.5V262 P264 E265 V353 L359V262-L267 HydrophobicContact CG2-CD1 3.88Å; V262-L267 HydrophobicContact CG2-CD2 4.11Å; V262-L267 HydrophobicContact CG2-CG 3.98Å; P264-L267 PolarHBondContact O-N 2.73Å; E265-L267 VanDerWaalsContact C-N 3.31Å; L267-V353 HydrophobicContact CD2-CG1 4.26Å; L267-L359 HydrophobicContact CD1-CD2 3.97Å; L267-L359 HydrophobicContact CD1-CG 4.4Å
268T85.4Confident88.6Confident24 Ų2436.8 Ų36.815%0.14719%0.187CC..  trans-150.2146.6-178.1177.40000111P264 N270 P271 S368P264-T268 PolarHBondContact O-N 3.2Å; T268-N270 VanDerWaalsContact C-N 3.29Å; T268-N270 PolarHBondContact OG1-N 3.25Å; T268-N270 VanDerWaalsContact OG1-N 3.14Å; T268-P271 HydrophobicContact CG2-CB 3.86Å; T268-P271 HydrophobicContact CG2-CG 4.49Å; T268-S368 PolarHBondContact OG1-OG 3.02Å
269N82.1Confident87.8Confident32 Ų3234.1 Ų34.117%0.17118%0.176CC..SBendtrans-71.2-25.2170.9-85.6-30.8000112.8P78 L79 K80 P271P78-N269 PolarHBondContact O-ND2 2.82Å; L79-N269 VanDerWaalsContact CA-OD1 3.28Å; L79-N269 WeakPolarHBondContact CA-OD1 3.47Å; K80-N269 WeakPolarHBondContact CE-O 3.46Å; K80-N269 PolarHBondContact N-OD1 3.31Å; K80-N269 PolarHBondContact NZ-O 3Å; N269-P271 VanDerWaalsContact C-CD 3.41Å; N269-P271 WeakPolarHBondContact O-CD 3.38Å
270N83.5Confident86.8Confident60 Ų6033.2 Ų33.232%0.32117%0.165SC..SBendtrans-125.163.2-173-64.5-31.6000111.4R25 E28 T268 S368R25-N270 PolarHBondContact NH1-ND2 3.06Å; R25-N270 VanDerWaalsContact NH1-ND2 3.18Å; E28-N270 PolarHBondContact OE1-ND2 2.74Å; T268-N270 VanDerWaalsContact C-N 3.29Å; T268-N270 PolarHBondContact OG1-N 3.25Å; T268-N270 VanDerWaalsContact OG1-N 3.14Å; N270-S368 WeakPolarHBondContact O-CB 3.46Å; N270-S368 PolarHBondContact O-OG 3.06Å
271P90.3Very high85.9Confident16 Ų1628.3 Ų28.310%0.10414%0.144CC..  trans-65.3141.2174.829.7-34.5000110.9P264 T268 N269 Y326 L370P264-P271 HydrophobicContact CB-CB 3.7Å; P264-P271 HydrophobicContact CB-CG 4.37Å; T268-P271 HydrophobicContact CG2-CB 3.86Å; T268-P271 HydrophobicContact CG2-CG 4.49Å; N269-P271 VanDerWaalsContact C-CD 3.41Å; N269-P271 WeakPolarHBondContact O-CD 3.38Å; P271-Y326 HydrophobicContact CB-CD2 4.16Å; P271-Y326 HydrophobicContact CB-CE1 4.44Å; P271-Y326 HydrophobicContact CB-CE2 3.8Å; P271-Y326 HydrophobicContact CG-CD1 4.29Å; P271-Y326 HydrophobicContact CG-CD2 4.41Å; P271-Y326 HydrophobicContact CG-CE1 3.68Å; P271-Y326 HydrophobicContact CG-CE2 3.83Å; P271-Y326 VanDerWaalsContact CG-CZ 3.42Å; P271-L370 HydrophobicContact CB-CD1 4.32Å
272T89.4Confident85.4Confident48 Ų4826.5 Ų26.529%0.29414%0.137SC..BIsolated β-bridgetrans-140.7141.4-177.4-54.90000108.8I274 Y275 S368 E369 L370T272-I274 WeakPolarHBondContact CG2-O 3.5Å; T272-Y275 HydrophobicContact CG2-CD2 4.49Å; T272-S368 PolarHBondContact N-O 2.76Å; T272-E369 WeakPolarHBondContact O-CA 3.34Å; T272-L370 PolarHBondContact O-N 3.47Å; T272-L370 VanDerWaalsContact O-N 3.16Å
273M92.1Very high85Confident2 Ų229.2 Ų29.21%0.0115%0.149CC..SBendtrans-63.5-63.2179.2178.347.567.300112I315 P324 Y332 L370 W371 L374M273-I315 HydrophobicContact CE-CG2 4.07Å; M273-I315 HydrophobicContact CG-CG2 4.37Å; M273-I315 HydrophobicContact SD-CD1 4.12Å; M273-I315 HydrophobicContact SD-CG2 3.82Å; M273-P324 WeakPolarHBondContact CB-O 3.27Å; M273-P324 HydrophobicContact CG-CB 3.87Å; M273-P324 HydrophobicContact CG-CG 4.09Å; M273-P324 WeakPolarHBondContact CG-O 3.45Å; M273-Y332 HydrophobicContact CE-CD1 3.43Å; M273-Y332 VanDerWaalsContact CE-CD1 3.43Å; M273-Y332 HydrophobicContact CE-CE1 3.07Å; M273-Y332 HydrophobicContact CE-CG 4.39Å; M273-L370 PolarHBondContact O-N 2.82Å; M273-W371 WeakPolarHBondContact O-CB 3.34Å; M273-W371 PolarHBondContact O-N 2.98Å; M273-W371 VanDerWaalsContact O-N 3.09Å; M273-W371 HydrophobicContact SD-CB 4.1Å; M273-L374 HydrophobicContact CE-CD1 3.62Å; M273-L374 HydrophobicContact SD-CD1 4.23Å
274I88.8Confident84.7Confident32 Ų3228.3 Ų28.316%0.16415%0.146CC..  trans-127.8132.9173.1-67.8174.1000107.6T272 V277 I311 T312 I315 P324 W371T272-I274 WeakPolarHBondContact CG2-O 3.5Å; I274-V277 HydrophobicContact CD1-CG2 4.3Å; I274-V277 HydrophobicContact CG2-CG2 3.74Å; I274-I311 HydrophobicContact CD1-CG2 4.45Å; I274-T312 HydrophobicContact CD1-CG2 3.66Å; I274-I315 HydrophobicContact CD1-CD1 4.07Å; I274-P324 HydrophobicContact CD1-CG 3.63Å; I274-P324 HydrophobicContact CG1-CG 4.36Å; I274-W371 HydrophobicContact CD1-CB 4.27Å; I274-W371 HydrophobicContact CD1-CG 4.38Å; I274-W371 HydrophobicContact CG1-CB 3.62Å; I274-W371 HydrophobicContact CG1-CD2 4.45Å; I274-W371 HydrophobicContact CG1-CG 3.65Å
275Y77.9Confident84.3Confident67 Ų6729.9 Ų29.926%0.26316%0.155SC..SBendtrans-97.3-45.2165.3-158.4-77.9000110.9F13 L16 F31 Y32 T272 E369F13-Y275 HydrophobicContact CE1-CE1 4.17Å; L16-Y275 WeakPolarHBondContact CD1-OH 3.42Å; F31-Y275 AromaticContact CE1-CD1 3.63Å; F31-Y275 HydrophobicContact CE1-CD1 3.63Å; F31-Y275 HydrophobicContact CE1-CE1 4.37Å; F31-Y275 HydrophobicContact CE1-CG 4.1Å; F31-Y275 HydrophobicContact CZ-CD1 4.24Å; Y32-Y275 HydrophobicContact CD1-CE1 4.35Å; Y32-Y275 HydrophobicContact CE1-CD1 4.33Å; Y32-Y275 AromaticContact CE1-CE1 3.42Å; Y32-Y275 HydrophobicContact CE1-CE1 3.42Å; Y32-Y275 VanDerWaalsContact CE1-CE1 3.42Å; Y32-Y275 HydrophobicContact CE1-CE2 4.2Å; Y32-Y275 AromaticContact CE1-CZ 3.4Å; Y32-Y275 WeakPolarHBondContact CE1-OH 3.24Å; Y32-Y275 AromaticContact CZ-CE2 3.99Å; Y32-Y275 AromaticContact CZ-CZ 3.63Å; Y32-Y275 WeakPolarHBondContact OH-CE2 3.34Å; Y32-Y275 PolarHBondContact OH-OH 3.1Å; Y32-Y275 VanDerWaalsContact OH-OH 3.12Å; T272-Y275 HydrophobicContact CG2-CD2 4.49Å; Y275-E369 WeakPolarHBondContact CA-OE1 3.31Å; Y275-E369 WeakPolarHBondContact CB-OE1 3.17Å; Y275-E369 PolarHBondContact N-OE1 3.42Å
276T73.3Confident83.8Confident14 Ų1431.4 Ų31.49%0.08616%0.163CC..  trans-153.5133.3176.5172.20000108.1F31 S278 R304 E369F31-T276 HydrophobicContact CZ-CG2 3.87Å; T276-S278 PolarHBondContact O-N 3.19Å; T276-R304 PolarHBondContact OG1-NH2 3.23Å; T276-E369 PolarHBondContact N-OE1 3.19Å; T276-E369 VanDerWaalsContact O-OE1 3.12Å
277V81.2Confident83.3Confident20 Ų2028 Ų2812%0.12115%0.146CC..  trans-75.262.7-176.6-173.10000109.7I274 A300 E303 R304 I311 T312I274-V277 HydrophobicContact CD1-CG2 4.3Å; I274-V277 HydrophobicContact CG2-CG2 3.74Å; V277-A300 HydrophobicContact CG1-CB 3.78Å; V277-E303 HydrophobicContact CG1-CB 4.21Å; V277-E303 HydrophobicContact CG1-CG 4.26Å; V277-R304 VanDerWaalsContact C-NH2 3.29Å; V277-R304 VanDerWaalsContact O-CZ 3.29Å; V277-R304 PolarHBondContact O-NH1 3.04Å; V277-R304 PolarHBondContact O-NH2 2.73Å; V277-I311 HydrophobicContact CG1-CB 4.28Å; V277-T312 HydrophobicContact CG2-CG2 4.03Å
278S80.3Confident82.9Confident1 Ų127.7 Ų27.71%0.00715%0.148CC..  trans-101.2116.6-161.8-170.40000112.2T276 F280 S281 I282T276-S278 PolarHBondContact O-N 3.19Å; S278-F280 PolarHBondContact O-N 3.44Å; S278-F280 PolarHBondContact OG-N 3.48Å; S278-S281 PolarHBondContact O-N 3.01Å; S278-S281 PolarHBondContact O-OG 3.09Å; S278-S281 VanDerWaalsContact O-OG 3.06Å; S278-I282 WeakPolarHBondContact O-CG1 3.28Å
279S81.1Confident83Confident2 Ų226.6 Ų26.61%0.01414%0.142CC..THydrogen-bonded Turntrans-63.6-20.9170.660.30000112.5A297 K477S279-A297 WeakPolarHBondContact CB-O 3.47Å; S279-K477 WeakPolarHBondContact O-CD 3.22Å; S279-K477 WeakPolarHBondContact O-CE 3.43Å; S279-K477 PolarHBondContact O-NZ 3.27Å
280F74.9Confident83.4Confident38 Ų3825.9 Ų25.917%0.16714%0.139CC..THydrogen-bonded Turntrans-74.9-32.1176.3-54-75.3000112.2Y42 S278 N365 L463 I519Y42-F280 HydrophobicContact CE1-CZ 4.16Å; Y42-F280 HydrophobicContact CE2-CD2 4.01Å; Y42-F280 HydrophobicContact CE2-CE1 4.43Å; Y42-F280 AromaticContact CE2-CE2 3.52Å; Y42-F280 HydrophobicContact CE2-CE2 3.52Å; Y42-F280 AromaticContact CE2-CZ 3.78Å; Y42-F280 HydrophobicContact CE2-CZ 3.78Å; Y42-F280 AromaticContact CZ-CE1 3.83Å; Y42-F280 AromaticContact CZ-CE2 3.7Å; Y42-F280 AromaticContact CZ-CZ 3.42Å; Y42-F280 VanDerWaalsContact CZ-CZ 3.42Å; Y42-F280 WeakPolarHBondContact OH-CD1 3.49Å; Y42-F280 WeakPolarHBondContact OH-CE1 3.31Å; Y42-F280 WeakPolarHBondContact OH-CZ 3.42Å; S278-F280 PolarHBondContact O-N 3.44Å; S278-F280 PolarHBondContact OG-N 3.48Å; F280-N365 PolarHBondContact O-ND2 2.75Å; F280-L463 HydrophobicContact CE1-CD1 4.28Å; F280-I519 HydrophobicContact CD1-CD1 3.3Å; F280-I519 HydrophobicContact CE1-CD1 3.39Å
281S77.6Confident83.9Confident3 Ų323.3 Ų23.32%0.02113%0.125CC..THydrogen-bonded Turntrans-77-31-178.776.20000113.2S278 K283 S364 N365S278-S281 PolarHBondContact O-N 3.01Å; S278-S281 PolarHBondContact O-OG 3.09Å; S278-S281 VanDerWaalsContact O-OG 3.06Å; S281-K283 PolarHBondContact O-N 2.9Å; S281-S364 VanDerWaalsContact CB-OG 3.28Å; S281-S364 WeakPolarHBondContact CB-OG 3.1Å; S281-S364 CarbonylContact O-C 3.59Å; S281-S364 WeakPolarHBondContact O-CA 3.16Å; S281-S364 PolarHBondContact OG-OG 3.01Å; S281-N365 PolarHBondContact O-N 2.76Å; S281-N365 PolarHBondContact O-ND2 2.94Å
282I87.3Confident84.1Confident0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-61.4129.7-179.4-47.4-178.8000112S278 V293 L296 A297 A300 W371 V372 K477 S481S278-I282 WeakPolarHBondContact O-CG1 3.28Å; I282-V293 HydrophobicContact CG2-CG1 3.51Å; I282-L296 HydrophobicContact CD1-CB 3.9Å; I282-A297 HydrophobicContact CD1-CB 4.04Å; I282-A300 HydrophobicContact CD1-CB 4.42Å; I282-W371 HydrophobicContact CD1-CH2 3.53Å; I282-W371 HydrophobicContact CD1-CZ2 4.33Å; I282-W371 HydrophobicContact CD1-CZ3 4.17Å; I282-W371 HydrophobicContact CG1-CH2 3.74Å; I282-W371 HydrophobicContact CG1-CZ2 4.05Å; I282-V372 HydrophobicContact CG1-CG2 4.09Å; I282-V372 HydrophobicContact CG2-CG1 3.92Å; I282-V372 HydrophobicContact CG2-CG2 4.47Å; I282-K477 WeakPolarHBondContact O-CE 3.17Å; I282-K477 PolarHBondContact O-NZ 3.41Å; I282-S481 PolarHBondContact O-OG 3.39Å
283K86.8Confident84.4Confident62 Ų6220.2 Ų20.227%0.2711%0.106SC..EExtended strand (participates in β ladder)trans-139125.3174.3179.5175.5168.9-158.90111.7S281 S362 Y363S281-K283 PolarHBondContact O-N 2.9Å; K283-S362 WeakPolarHBondContact O-CA 3.24Å; K283-Y363 HydrophobicContact CB-CD2 4.28Å; K283-Y363 HydrophobicContact CB-CE2 4.13Å; K283-Y363 HydrophobicContact CD-CE2 3.77Å; K283-Y363 HydrophobicContact CG-CE2 4.25Å; K283-Y363 PolarHBondContact N-O 3.05Å; K283-Y363 PolarHBondContact NZ-OH 3.34Å; K283-Y363 PolarHBondContact O-N 2.87Å
284Q87.1Confident84.5Confident9 Ų920.1 Ų20.14%0.04211%0.106CC..  trans-74.1148.7169.9-177177.7-0.900111.2V287 V293 S362 P479Q284-V287 PolarHBondContact NE2-O 3.34Å; Q284-V293 HydrophobicContact CB-CB 4.36Å; Q284-V293 HydrophobicContact CB-CG1 4.1Å; Q284-V293 HydrophobicContact CB-CG2 4.21Å; Q284-V293 HydrophobicContact CG-CG2 4.22Å; Q284-S362 WeakPolarHBondContact CA-OG 3.35Å; Q284-P479 HydrophobicContact CB-CB 4.17Å; Q284-P479 PolarHBondContact N-O 2.81Å
285T84.7Confident84.9Confident33 Ų3318.6 Ų18.620%0.20210%0.098CC..  trans-113.3-125.7175.661.90000111.3V287 L360 C361 Y363T285-V287 VanDerWaalsContact C-N 3.33Å; T285-L360 PolarHBondContact OG1-O 3.18Å; T285-C361 WeakPolarHBondContact CG2-O 3.37Å; T285-C361 PolarHBondContact OG1-O 3.44Å; T285-Y363 HydrophobicContact CG2-CD1 3.45Å; T285-Y363 VanDerWaalsContact CG2-CD1 3.45Å; T285-Y363 HydrophobicContact CG2-CE1 3.22Å
286I80.3Confident85.8Confident62 Ų6215.4 Ų15.432%0.3189%0.085SC..SBendtrans-93.711.9-177.956.3172.2000113.3Q254 L360Q254-I286 HydrophobicContact CB-CD1 4.18Å; Q254-I286 HydrophobicContact CG-CD1 3.71Å; Q254-I286 HydrophobicContact CG-CG1 3.85Å; I286-L360 HydrophobicContact CD1-CB 4.43Å; I286-L360 HydrophobicContact CD1-CD1 4.48Å; I286-L360 HydrophobicContact CD1-CD2 3.69Å; I286-L360 HydrophobicContact CD1-CG 4.42Å; I286-L360 HydrophobicContact CG1-CD2 4.24Å
287V78.1Confident86.8Confident5 Ų514.8 Ų14.83%0.038%0.081CC..  trans-70.6140.1172.6-177.60000109.9Q284 T285 M380 Y386Q284-V287 PolarHBondContact NE2-O 3.34Å; T285-V287 VanDerWaalsContact C-N 3.33Å; V287-M380 HydrophobicContact CG1-SD 4.44Å; V287-Y386 HydrophobicContact CG2-CD1 4.25Å
288S79.1Confident87.5Confident51 Ų5114 Ų1436%0.3578%0.076SC..SBendtrans-69.2-38.7-177.43.10000113.5C290 F388S288-C290 PolarHBondContact O-N 2.88Å; S288-F388 WeakPolarHBondContact CB-O 3.44Å; S288-F388 PolarHBondContact OG-O 3.03Å
289D86.7Confident88.3Confident2 Ų213.9 Ų13.91%0.0118%0.076CC..  trans-79.688.6-169.7-166.5-19.3000112.6S291 F292 Y379 M380 F388 S391D289-S291 PolarHBondContact OD1-N 3.31Å; D289-S291 PolarHBondContact OD1-OG 3.12Å; D289-F292 HydrophobicContact CB-CB 4.4Å; D289-F292 WeakPolarHBondContact OD1-CB 3.1Å; D289-F292 PolarHBondContact OD1-N 3.03Å; D289-Y379 WeakPolarHBondContact OD2-CE1 3.34Å; D289-M380 HydrophobicContact CB-CE 4Å; D289-F388 HydrophobicContact CB-CD1 4.41Å; D289-F388 WeakPolarHBondContact OD2-CE1 3.31Å; D289-S391 PolarHBondContact OD1-OG 2.79Å; D289-S391 PolarHBondContact OD2-OG 2.97Å
290C91.1Very high88.9Confident17 Ų1713.8 Ų13.812%0.1158%0.075CC..Hα-helixtrans-72.6-30.3174.662.70000113.6S288 V293 A294 H458 A459S288-C290 PolarHBondContact O-N 2.88Å; C290-V293 PolarHBondContact O-N 2.78Å; C290-A294 WeakPolarHBondContact O-CB 3.42Å; C290-A294 PolarHBondContact O-N 3.01Å; C290-H458 WeakPolarHBondContact CB-CE1 3.43Å; C290-H458 WeakPolarHBondContact CB-ND1 3.41Å; C290-H458 PolarHBondContact SG-ND1 3.5Å; C290-H458 VanDerWaalsContact SG-ND1 3.42Å; C290-A459 PolarHBondContact SG-N 2.82Å
291S93.9Very high89.6Confident5 Ų512.7 Ų12.74%0.0357%0.073CC..Hα-helixtrans-75.5-31-174.746.20000112D289 S295 S391 N392 D396D289-S291 PolarHBondContact OD1-N 3.31Å; D289-S291 PolarHBondContact OD1-OG 3.12Å; S291-S295 VanDerWaalsContact O-CB 3.26Å; S291-S295 WeakPolarHBondContact O-CB 3.49Å; S291-S295 PolarHBondContact O-N 2.97Å; S291-S295 PolarHBondContact O-OG 2.72Å; S291-S391 PolarHBondContact OG-OG 3.43Å; S291-S391 VanDerWaalsContact OG-OG 3.06Å; S291-N392 WeakPolarHBondContact OG-CA 3.5Å; S291-N392 PolarHBondContact OG-N 3.12Å; S291-D396 WeakPolarHBondContact CB-OD2 3.14Å; S291-D396 PolarHBondContact OG-OD2 2.82Å
292F95.1Very high90.4Very high0 Ų012.9 Ų12.90%07%0.073CC..Hα-helixtrans-64.7-43169.2-168.3-102.6000112.5D289 S295 L296 I375 E376 Y379 D396 L400D289-F292 HydrophobicContact CB-CB 4.4Å; D289-F292 WeakPolarHBondContact OD1-CB 3.1Å; D289-F292 PolarHBondContact OD1-N 3.03Å; F292-S295 WeakPolarHBondContact O-CA 3.11Å; F292-S295 WeakPolarHBondContact O-CB 2.98Å; F292-S295 PolarHBondContact O-N 3.11Å; F292-S295 VanDerWaalsContact O-N 3.1Å; F292-L296 HydrophobicContact CD1-CD1 4.07Å; F292-L296 HydrophobicContact CD1-CG 4.28Å; F292-L296 HydrophobicContact CE1-CD1 3.79Å; F292-L296 HydrophobicContact CE1-CD2 4.25Å; F292-L296 HydrophobicContact CE1-CG 3.97Å; F292-L296 HydrophobicContact CZ-CD2 4.39Å; F292-L296 HydrophobicContact CZ-CG 4.47Å; F292-L296 PolarHBondContact O-N 2.89Å; F292-I375 HydrophobicContact CE1-CG2 4.02Å; F292-I375 HydrophobicContact CZ-CG2 3.7Å; F292-E376 HydrophobicContact CE1-CB 4.38Å; F292-Y379 HydrophobicContact CB-CD1 4.03Å; F292-Y379 HydrophobicContact CB-CE1 3.95Å; F292-Y379 AromaticContact CD1-CD1 3.98Å; F292-Y379 HydrophobicContact CD1-CD1 3.98Å; F292-Y379 HydrophobicContact CD1-CG 4.49Å; F292-Y379 AromaticContact CD2-CD1 3.15Å; F292-Y379 HydrophobicContact CD2-CD1 3.15Å; F292-Y379 HydrophobicContact CD2-CD2 4.17Å; F292-Y379 AromaticContact CD2-CE1 3.23Å; F292-Y379 HydrophobicContact CD2-CE1 3.23Å; F292-Y379 HydrophobicContact CD2-CE2 4.24Å; F292-Y379 AromaticContact CD2-CG 3.64Å; F292-Y379 HydrophobicContact CD2-CG 3.64Å; F292-Y379 AromaticContact CD2-CZ 3.78Å; F292-Y379 HydrophobicContact CE1-CD1 4.22Å; F292-Y379 HydrophobicContact CE1-CG 4.28Å; F292-Y379 AromaticContact CE2-CD1 3.46Å; F292-Y379 HydrophobicContact CE2-CD1 3.46Å; F292-Y379 VanDerWaalsContact CE2-CD1 3.46Å; F292-Y379 AromaticContact CE2-CD2 3.76Å; F292-Y379 HydrophobicContact CE2-CD2 3.76Å; F292-Y379 AromaticContact CE2-CE1 3.85Å; F292-Y379 HydrophobicContact CE2-CE1 3.85Å; F292-Y379 HydrophobicContact CE2-CE2 4.13Å; F292-Y379 AromaticContact CE2-CG 3.38Å; F292-Y379 HydrophobicContact CE2-CG 3.38Å; F292-Y379 AromaticContact CG-CD1 3.43Å; F292-Y379 HydrophobicContact CG-CD1 3.43Å; F292-Y379 VanDerWaalsContact CG-CD1 3.43Å; F292-Y379 AromaticContact CG-CE1 3.71Å; F292-Y379 HydrophobicContact CG-CE1 3.71Å; F292-Y379 HydrophobicContact CG-CG 4.19Å; F292-Y379 AromaticContact CZ-CD1 3.98Å; F292-Y379 HydrophobicContact CZ-CD1 3.98Å; F292-Y379 HydrophobicContact CZ-CD2 4.36Å; F292-Y379 AromaticContact CZ-CG 3.73Å; F292-Y379 HydrophobicContact CZ-CG 3.73Å; F292-D396 HydrophobicContact CB-CB 4.4Å; F292-D396 HydrophobicContact CD2-CB 3.95Å; F292-D396 PolarHBondContact N-OD2 3.32Å; F292-D396 VanDerWaalsContact N-OD2 3.15Å; F292-L400 HydrophobicContact CZ-CD1 4.34Å
293V94.7Very high90.7Very high0 Ų013.6 Ų13.60%08%0.077CC..Hα-helixtrans-71-35179.1-169.40000111.7I282 Q284 C290 S295 A297 S362 P479I282-V293 HydrophobicContact CG2-CG1 3.51Å; Q284-V293 HydrophobicContact CB-CB 4.36Å; Q284-V293 HydrophobicContact CB-CG1 4.1Å; Q284-V293 HydrophobicContact CB-CG2 4.21Å; Q284-V293 HydrophobicContact CG-CG2 4.22Å; C290-V293 PolarHBondContact O-N 2.78Å; V293-S295 VanDerWaalsContact C-N 3.29Å; V293-S295 PolarHBondContact O-N 3.23Å; V293-A297 WeakPolarHBondContact O-CB 3.37Å; V293-A297 PolarHBondContact O-N 3.43Å; V293-S362 VanDerWaalsContact CG2-OG 3.27Å; V293-S362 WeakPolarHBondContact CG2-OG 3.39Å; V293-P479 HydrophobicContact CB-CB 3.97Å; V293-P479 HydrophobicContact CG1-CB 3.93Å
294A95.7Very high90.7Very high0 Ų014.2 Ų14.20%08%0.077CC..Hα-helixtrans-61.4-38.7167.800000111.9C290 A297 I298 T438 A459 A461 P479C290-A294 WeakPolarHBondContact O-CB 3.42Å; C290-A294 PolarHBondContact O-N 3.01Å; A294-A297 PolarHBondContact O-N 2.82Å; A294-I298 PolarHBondContact O-N 3.08Å; A294-T438 HydrophobicContact CB-CG2 4.35Å; A294-A459 HydrophobicContact CB-CB 4.04Å; A294-A461 HydrophobicContact CB-CB 4.47Å; A294-P479 HydrophobicContact CB-CG 3.78Å
295S96.9Very high90.5Very high0 Ų016.4 Ų16.40%09%0.085CC..Hα-helixtrans-67.7-40.3179.2-61.80000112.6S291 F292 V293 I298 S299 D396 L397S291-S295 VanDerWaalsContact O-CB 3.26Å; S291-S295 WeakPolarHBondContact O-CB 3.49Å; S291-S295 PolarHBondContact O-N 2.97Å; S291-S295 PolarHBondContact O-OG 2.72Å; F292-S295 WeakPolarHBondContact O-CA 3.11Å; F292-S295 WeakPolarHBondContact O-CB 2.98Å; F292-S295 PolarHBondContact O-N 3.11Å; F292-S295 VanDerWaalsContact O-N 3.1Å; V293-S295 VanDerWaalsContact C-N 3.29Å; V293-S295 PolarHBondContact O-N 3.23Å; S295-I298 WeakPolarHBondContact O-CG2 3.35Å; S295-S299 VanDerWaalsContact O-CB 3.3Å; S295-S299 WeakPolarHBondContact O-CB 3.3Å; S295-S299 PolarHBondContact O-N 3.25Å; S295-S299 VanDerWaalsContact O-N 3.09Å; S295-S299 PolarHBondContact O-OG 2.96Å; S295-D396 WeakPolarHBondContact OG-CB 3.19Å; S295-L397 WeakPolarHBondContact OG-CG 3.47Å
296L95.6Very high90.6Very high0 Ų017.3 Ų17.30%09%0.086CC..Hα-helixtrans-60-45.3168.4-70.3175.4000111.4I282 F292 S299 A300 I311 V372 I375 L400I282-L296 HydrophobicContact CD1-CB 3.9Å; F292-L296 HydrophobicContact CD1-CD1 4.07Å; F292-L296 HydrophobicContact CD1-CG 4.28Å; F292-L296 HydrophobicContact CE1-CD1 3.79Å; F292-L296 HydrophobicContact CE1-CD2 4.25Å; F292-L296 HydrophobicContact CE1-CG 3.97Å; F292-L296 HydrophobicContact CZ-CD2 4.39Å; F292-L296 HydrophobicContact CZ-CG 4.47Å; F292-L296 PolarHBondContact O-N 2.89Å; L296-S299 PolarHBondContact O-N 2.67Å; L296-A300 WeakPolarHBondContact O-CB 3.41Å; L296-A300 PolarHBondContact O-N 3.27Å; L296-I311 HydrophobicContact CD2-CD1 3.98Å; L296-V372 HydrophobicContact CD1-CG1 4.43Å; L296-I375 HydrophobicContact CD2-CB 4.34Å; L296-I375 HydrophobicContact CD2-CD1 4.35Å; L296-I375 HydrophobicContact CD2-CG2 3.76Å; L296-L400 HydrophobicContact CD2-CD1 3.86Å; L296-L400 HydrophobicContact CD2-CD2 3.95Å
297A94.5Very high90.9Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-64-43.1-177.600000113.4S279 I282 V293 A294 A301 A461 K477S279-A297 WeakPolarHBondContact CB-O 3.47Å; I282-A297 HydrophobicContact CD1-CB 4.04Å; V293-A297 WeakPolarHBondContact O-CB 3.37Å; V293-A297 PolarHBondContact O-N 3.43Å; A294-A297 PolarHBondContact O-N 2.82Å; A297-A301 WeakPolarHBondContact O-CB 3.16Å; A297-A301 PolarHBondContact O-N 2.95Å; A297-A301 VanDerWaalsContact O-N 3.08Å; A297-A461 HydrophobicContact CB-CB 3.97Å; A297-K477 HydrophobicContact CB-CD 4.17Å
298I96.4Very high91.5Very high3 Ų324.3 Ų24.32%0.01512%0.122CC..Hα-helixtrans-70.9-36.3175.8-172.351.9000112.2A294 S295 A301 Y302 L397 F430 L436 T438 A461 V462A294-I298 PolarHBondContact O-N 3.08Å; S295-I298 WeakPolarHBondContact O-CG2 3.35Å; I298-A301 PolarHBondContact O-N 3.34Å; I298-Y302 WeakPolarHBondContact O-CB 3.48Å; I298-Y302 PolarHBondContact O-N 2.87Å; I298-L397 HydrophobicContact CG2-CD2 3.73Å; I298-F430 HydrophobicContact CD1-CE2 4.34Å; I298-L436 HydrophobicContact CG1-CB 4.15Å; I298-L436 HydrophobicContact CG1-CD2 4.17Å; I298-L436 HydrophobicContact CG2-CB 4.39Å; I298-T438 HydrophobicContact CG2-CG2 4.1Å; I298-A461 HydrophobicContact CB-CB 4.24Å; I298-V462 WeakPolarHBondContact CD1-O 3.41Å
299S96.9Very high92.1Very high0 Ų025.6 Ų25.60%012%0.121CC..Hα-helixtrans-66.7-41.2178.3-57.20000111.9S295 L296 Y302 E303 L400S295-S299 VanDerWaalsContact O-CB 3.3Å; S295-S299 WeakPolarHBondContact O-CB 3.3Å; S295-S299 PolarHBondContact O-N 3.25Å; S295-S299 VanDerWaalsContact O-N 3.09Å; S295-S299 PolarHBondContact O-OG 2.96Å; L296-S299 PolarHBondContact O-N 2.67Å; S299-Y302 WeakPolarHBondContact O-CB 3.37Å; S299-Y302 PolarHBondContact O-N 2.83Å; S299-E303 WeakPolarHBondContact O-CB 3.43Å; S299-E303 PolarHBondContact O-N 3.2Å; S299-L400 WeakPolarHBondContact OG-CD2 3.49Å
300A93Very high92.4Very high0 Ų026.5 Ų26.50%013%0.125CC..Hα-helixtrans-67-37.3174.100000112.9V277 I282 L296 R304 W371V277-A300 HydrophobicContact CG1-CB 3.78Å; I282-A300 HydrophobicContact CD1-CB 4.42Å; L296-A300 WeakPolarHBondContact O-CB 3.41Å; L296-A300 PolarHBondContact O-N 3.27Å; A300-R304 PolarHBondContact O-N 2.82Å; A300-W371 HydrophobicContact CB-CH2 3.83Å
301A90.8Very high92.6Very high14 Ų1425.7 Ų25.712%0.11612%0.12CC..Hα-helixtrans-65.9-39.4173.100000112.2A297 I298 R305 L463A297-A301 WeakPolarHBondContact O-CB 3.16Å; A297-A301 PolarHBondContact O-N 2.95Å; A297-A301 VanDerWaalsContact O-N 3.08Å; I298-A301 PolarHBondContact O-N 3.34Å; A301-R305 WeakPolarHBondContact O-CB 2.99Å; A301-R305 PolarHBondContact O-N 3.46Å; A301-L463 HydrophobicContact CB-CD2 3.84Å
302Y94.4Very high92.6Very high7 Ų725.7 Ų25.73%0.02712%0.12CC..Hα-helixtrans-63.6-47.7175.5-179-83.3000111.9I298 S299 R304 R305 F306 K308 L310 W403 G433 L436I298-Y302 WeakPolarHBondContact O-CB 3.48Å; I298-Y302 PolarHBondContact O-N 2.87Å; S299-Y302 WeakPolarHBondContact O-CB 3.37Å; S299-Y302 PolarHBondContact O-N 2.83Å; Y302-R304 PolarHBondContact O-N 3.32Å; Y302-R305 PolarHBondContact O-N 3.12Å; Y302-R305 VanDerWaalsContact O-N 3.09Å; Y302-F306 HydrophobicContact CD1-CD2 4.25Å; Y302-F306 AromaticContact CD2-CD2 3.44Å; Y302-F306 HydrophobicContact CD2-CD2 3.44Å; Y302-F306 VanDerWaalsContact CD2-CD2 3.44Å; Y302-F306 AromaticContact CD2-CE2 3.71Å; Y302-F306 HydrophobicContact CD2-CE2 3.71Å; Y302-F306 HydrophobicContact CE1-CB 4.24Å; Y302-F306 HydrophobicContact CE1-CD2 4.19Å; Y302-F306 AromaticContact CE2-CD2 3.38Å; Y302-F306 HydrophobicContact CE2-CD2 3.38Å; Y302-F306 AromaticContact CE2-CE2 3.71Å; Y302-F306 HydrophobicContact CE2-CE2 3.71Å; Y302-F306 HydrophobicContact CE2-CG 4.24Å; Y302-F306 AromaticContact CG-CD2 3.88Å; Y302-F306 HydrophobicContact CG-CD2 3.88Å; Y302-F306 HydrophobicContact CG-CE2 4.49Å; Y302-F306 AromaticContact CZ-CD2 3.75Å; Y302-F306 PolarHBondContact O-N 3.45Å; Y302-K308 HydrophobicContact CD1-CB 4.43Å; Y302-K308 HydrophobicContact CE1-CB 3.74Å; Y302-K308 HydrophobicContact CE1-CD 3.85Å; Y302-K308 HydrophobicContact CE1-CG 4.46Å; Y302-K308 WeakPolarHBondContact OH-CD 3.37Å; Y302-L310 HydrophobicContact CD1-CD1 3.41Å; Y302-L310 VanDerWaalsContact CD1-CD1 3.41Å; Y302-L310 HydrophobicContact CD1-CG 4.03Å; Y302-L310 HydrophobicContact CE1-CD1 3.95Å; Y302-L310 HydrophobicContact CE1-CG 4.36Å; Y302-L310 HydrophobicContact CG-CD1 3.97Å; Y302-W403 HydrophobicContact CD2-CH2 4.34Å; Y302-W403 HydrophobicContact CE1-CH2 4.07Å; Y302-W403 HydrophobicContact CE1-CZ2 4.23Å; Y302-W403 AromaticContact CE2-CH2 3.61Å; Y302-W403 HydrophobicContact CE2-CH2 3.61Å; Y302-W403 HydrophobicContact CE2-CZ3 4.31Å; Y302-W403 AromaticContact CZ-CH2 3.49Å; Y302-W403 VanDerWaalsContact CZ-CH2 3.49Å; Y302-G433 WeakPolarHBondContact CE2-O 3.48Å; Y302-G433 PolarHBondContact OH-O 3.2Å; Y302-L436 VanDerWaalsContact CB-CD2 3.5Å; Y302-L436 HydrophobicContact CD2-CD2 3.43Å; Y302-L436 VanDerWaalsContact CD2-CD2 3.43Å; Y302-L436 HydrophobicContact CE2-CD2 4.3Å; Y302-L436 HydrophobicContact CG-CD2 3.58Å
303E93.4Very high92.6Very high16 Ų1627.3 Ų27.38%0.07513%0.131CC..Hα-helixtrans-56.6-49.2-176.9178.5160.7148.900111.7V277 S299 N307 K308 K309 L310 I311 T312V277-E303 HydrophobicContact CG1-CB 4.21Å; V277-E303 HydrophobicContact CG1-CG 4.26Å; S299-E303 WeakPolarHBondContact O-CB 3.43Å; S299-E303 PolarHBondContact O-N 3.2Å; E303-N307 WeakPolarHBondContact O-CA 3.42Å; E303-N307 PolarHBondContact O-N 2.96Å; E303-K308 WeakPolarHBondContact CA-O 3.3Å; E303-K308 WeakPolarHBondContact CG-O 3.36Å; E303-K308 PolarHBondContact O-N 3.22Å; E303-K309 WeakPolarHBondContact OE2-CA 3.47Å; E303-L310 PolarHBondContact OE2-N 3.11Å; E303-I311 PolarHBondContact OE2-N 2.83Å; E303-T312 WeakPolarHBondContact OE1-CB 3.2Å; E303-T312 WeakPolarHBondContact OE1-CG2 3.31Å; E303-T312 PolarHBondContact OE1-OG1 3.06Å; E303-T312 PolarHBondContact OE2-N 3.32Å
304R85.5Confident92.7Very high75 Ų7527.8 Ų27.828%0.28313%0.134SC..Hα-helixtrans-62.7-46.4171.8-179.5-172.7-69.480.98112.4T276 V277 A300 Y302 F306T276-R304 PolarHBondContact OG1-NH2 3.23Å; V277-R304 VanDerWaalsContact C-NH2 3.29Å; V277-R304 VanDerWaalsContact O-CZ 3.29Å; V277-R304 PolarHBondContact O-NH1 3.04Å; V277-R304 PolarHBondContact O-NH2 2.73Å; A300-R304 PolarHBondContact O-N 2.82Å; Y302-R304 PolarHBondContact O-N 3.32Å; R304-F306 VanDerWaalsContact C-N 3.28Å; R304-F306 PolarHBondContact O-N 3.38Å
305R84.3Confident92.7Very high55 Ų5527.9 Ų27.921%0.20813%0.134CC..Hα-helixtrans-63.1-32.6-173.5-179.6-177.9-73.5-116.73.8113A301 Y302 F430 L463 D464A301-R305 WeakPolarHBondContact O-CB 2.99Å; A301-R305 PolarHBondContact O-N 3.46Å; Y302-R305 PolarHBondContact O-N 3.12Å; Y302-R305 VanDerWaalsContact O-N 3.09Å; R305-F430 VanDerWaalsContact NH1-CE1 3.34Å; R305-L463 PolarHBondContact NH2-O 3.31Å; R305-D464 IonicContact CZ-OD1 2.72Å; R305-D464 VanDerWaalsContact CZ-OD1 3.26Å; R305-D464 IonicContact NH1-OD1 2.69Å; R305-D464 PolarHBondContact NH1-OD1 2.98Å; R305-D464 VanDerWaalsContact NH2-CG 3.34Å; R305-D464 IonicContact NH2-OD1 3.81Å; R305-D464 PolarHBondContact NH2-OD1 3.39Å
306F86.7Confident92.7Very high51 Ų5128.7 Ų28.722%0.22414%0.137CC..Hα-helixtrans-1212.9-173.3-63.2-70.8000115Y302 R304 K308 F430 G433Y302-F306 HydrophobicContact CD1-CD2 4.25Å; Y302-F306 AromaticContact CD2-CD2 3.44Å; Y302-F306 HydrophobicContact CD2-CD2 3.44Å; Y302-F306 VanDerWaalsContact CD2-CD2 3.44Å; Y302-F306 AromaticContact CD2-CE2 3.71Å; Y302-F306 HydrophobicContact CD2-CE2 3.71Å; Y302-F306 HydrophobicContact CE1-CB 4.24Å; Y302-F306 HydrophobicContact CE1-CD2 4.19Å; Y302-F306 AromaticContact CE2-CD2 3.38Å; Y302-F306 HydrophobicContact CE2-CD2 3.38Å; Y302-F306 AromaticContact CE2-CE2 3.71Å; Y302-F306 HydrophobicContact CE2-CE2 3.71Å; Y302-F306 HydrophobicContact CE2-CG 4.24Å; Y302-F306 AromaticContact CG-CD2 3.88Å; Y302-F306 HydrophobicContact CG-CD2 3.88Å; Y302-F306 HydrophobicContact CG-CE2 4.49Å; Y302-F306 AromaticContact CZ-CD2 3.75Å; Y302-F306 PolarHBondContact O-N 3.45Å; R304-F306 VanDerWaalsContact C-N 3.28Å; R304-F306 PolarHBondContact O-N 3.38Å; F306-K308 HydrophobicContact CB-CD 4.04Å; F306-K308 HydrophobicContact CB-CG 4.39Å; F306-K308 PolarHBondContact O-N 3.31Å; F306-F430 VanDerWaalsContact CZ-O 3.32Å; F306-F430 WeakPolarHBondContact CZ-O 3.5Å; F306-G433 VanDerWaalsContact CE2-CA 3.48Å; F306-G433 VanDerWaalsContact CZ-N 3.29Å
307N86.1Confident92.7Very high154 Ų15428.9 Ų28.982%0.82414%0.138SC*.THydrogen-bonded Turntrans49.653.1-173.6-164.926.6000112.9E303E303-N307 WeakPolarHBondContact O-CA 3.42Å; E303-N307 PolarHBondContact O-N 2.96Å
308K89.9Confident92.6Very high61 Ų6131.3 Ų31.327%0.26515%0.15SC..  trans-134.8107.6-174.1-79.9173.3-176.1172.60110.8Y302 E303 F306 L310Y302-K308 HydrophobicContact CD1-CB 4.43Å; Y302-K308 HydrophobicContact CE1-CB 3.74Å; Y302-K308 HydrophobicContact CE1-CD 3.85Å; Y302-K308 HydrophobicContact CE1-CG 4.46Å; Y302-K308 WeakPolarHBondContact OH-CD 3.37Å; E303-K308 WeakPolarHBondContact CA-O 3.3Å; E303-K308 WeakPolarHBondContact CG-O 3.36Å; E303-K308 PolarHBondContact O-N 3.22Å; F306-K308 HydrophobicContact CB-CD 4.04Å; F306-K308 HydrophobicContact CB-CG 4.39Å; F306-K308 PolarHBondContact O-N 3.31Å; K308-L310 PolarHBondContact O-N 2.94Å; K308-L310 VanDerWaalsContact O-N 3.1Å
309K92.1Very high92.2Very high77 Ų7733.9 Ų33.934%0.33516%0.163SC..  trans-59.6105.1-177.6-60-167169.5-177.50112.5E303 T312 S313 D321 G322 E323E303-K309 WeakPolarHBondContact OE2-CA 3.47Å; K309-T312 WeakPolarHBondContact CB-OG1 3.16Å; K309-T312 WeakPolarHBondContact CD-OG1 3.3Å; K309-T312 WeakPolarHBondContact CG-OG1 3.28Å; K309-S313 VanDerWaalsContact C-OG 3.29Å; K309-S313 PolarHBondContact O-OG 3.21Å; K309-D321 PolarHBondContact NZ-O 2.85Å; K309-G322 PolarHBondContact NZ-O 3.02Å; K309-E323 WeakPolarHBondContact CE-OE1 3.29Å; K309-E323 WeakPolarHBondContact CE-OE2 3.35Å; K309-E323 IonicContact NZ-OE1 3.43Å; K309-E323 PolarHBondContact NZ-OE1 3.36Å; K309-E323 IonicContact NZ-OE2 3.17Å; K309-E323 PolarHBondContact NZ-OE2 3.3Å
310L93.6Very high91.6Very high21 Ų2139.8 Ų39.811%0.1119%0.189CC..SBendtrans-112-31.2170.7-67.1-175.4000112.4Y302 E303 K308 T401 W403 L436Y302-L310 HydrophobicContact CD1-CD1 3.41Å; Y302-L310 VanDerWaalsContact CD1-CD1 3.41Å; Y302-L310 HydrophobicContact CD1-CG 4.03Å; Y302-L310 HydrophobicContact CE1-CD1 3.95Å; Y302-L310 HydrophobicContact CE1-CG 4.36Å; Y302-L310 HydrophobicContact CG-CD1 3.97Å; E303-L310 PolarHBondContact OE2-N 3.11Å; K308-L310 PolarHBondContact O-N 2.94Å; K308-L310 VanDerWaalsContact O-N 3.1Å; L310-T401 HydrophobicContact CD1-CG2 4.43Å; L310-W403 HydrophobicContact CD1-CZ2 4.23Å; L310-W403 HydrophobicContact CD2-CZ2 4.12Å; L310-L436 HydrophobicContact CD1-CD1 4.11Å; L310-L436 HydrophobicContact CD1-CD2 4.38Å
311I94.8Very high91.2Very high0 Ų045.9 Ų45.90%022%0.222CC..SBendtrans-100.2-51.1179-63.6-59.6000110.2I274 V277 L296 E303 S313 I314 I315 W371 I375 L400I274-I311 HydrophobicContact CD1-CG2 4.45Å; V277-I311 HydrophobicContact CG1-CB 4.28Å; L296-I311 HydrophobicContact CD2-CD1 3.98Å; E303-I311 PolarHBondContact OE2-N 2.83Å; I311-S313 VanDerWaalsContact C-N 3.29Å; I311-S313 PolarHBondContact O-N 3.08Å; I311-I314 WeakPolarHBondContact O-CG1 3.49Å; I311-I314 PolarHBondContact O-N 3.3Å; I311-I315 HydrophobicContact CG2-CD1 4.46Å; I311-W371 HydrophobicContact CG1-CZ3 4.5Å; I311-W371 HydrophobicContact CG2-CD2 4.42Å; I311-W371 HydrophobicContact CG2-CE3 3.63Å; I311-W371 HydrophobicContact CG2-CZ3 3.78Å; I311-I375 HydrophobicContact CG2-CD1 3.96Å; I311-L400 HydrophobicContact CD1-CD1 4.21Å; I311-L400 HydrophobicContact CD1-CD2 4.11Å; I311-L400 HydrophobicContact CD1-CG 4.41Å
312T94.6Very high91.1Very high5 Ų546.3 Ų46.33%0.03123%0.228CC..G310 helixtrans-59.7-38.8178.841.60000112.4I274 V277 E303 K309 I314 Q318 P324I274-T312 HydrophobicContact CD1-CG2 3.66Å; V277-T312 HydrophobicContact CG2-CG2 4.03Å; E303-T312 WeakPolarHBondContact OE1-CB 3.2Å; E303-T312 WeakPolarHBondContact OE1-CG2 3.31Å; E303-T312 PolarHBondContact OE1-OG1 3.06Å; E303-T312 PolarHBondContact OE2-N 3.32Å; K309-T312 WeakPolarHBondContact CB-OG1 3.16Å; K309-T312 WeakPolarHBondContact CD-OG1 3.3Å; K309-T312 WeakPolarHBondContact CG-OG1 3.28Å; T312-I314 VanDerWaalsContact C-N 3.25Å; T312-I314 PolarHBondContact O-N 3.41Å; T312-Q318 PolarHBondContact O-NE2 3.17Å; T312-P324 HydrophobicContact CG2-CG 4.2Å
313S94.1Very high90.9Very high34 Ų3449.6 Ų49.624%0.23824%0.243CC..G310 helixtrans-73.2-5.1-176.960.30000115.4K309 I311 K335K309-S313 VanDerWaalsContact C-OG 3.29Å; K309-S313 PolarHBondContact O-OG 3.21Å; I311-S313 VanDerWaalsContact C-N 3.29Å; I311-S313 PolarHBondContact O-N 3.08Å; S313-K335 WeakPolarHBondContact O-CE 3.36Å; S313-K335 PolarHBondContact O-NZ 3.22Å
314I96.3Very high91Very high11 Ų1149.5 Ų49.56%0.05624%0.244CC..G310 helixtrans-111.6-9.2-179.163.9162000114.7I311 T312 V334 K335 L336 I375 L400I311-I314 WeakPolarHBondContact O-CG1 3.49Å; I311-I314 PolarHBondContact O-N 3.3Å; T312-I314 VanDerWaalsContact C-N 3.25Å; T312-I314 PolarHBondContact O-N 3.41Å; I314-V334 HydrophobicContact CD1-CG1 4.24Å; I314-V334 CarbonylContact O-C 3.56Å; I314-V334 WeakPolarHBondContact O-CA 3.16Å; I314-K335 HydrophobicContact CB-CB 4.31Å; I314-K335 WeakPolarHBondContact CB-O 3.47Å; I314-K335 PolarHBondContact O-N 3.36Å; I314-L336 HydrophobicContact CD1-CD2 4.43Å; I314-I375 HydrophobicContact CD1-CD1 4.31Å; I314-L400 HydrophobicContact CD1-CD1 3.58Å
315I97.3Very high91.3Very high2 Ų248 Ų481%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-98.4138.4178.7-49.5169.5000109.7M273 I274 I311 Q318 P324 W371 I375M273-I315 HydrophobicContact CE-CG2 4.07Å; M273-I315 HydrophobicContact CG-CG2 4.37Å; M273-I315 HydrophobicContact SD-CD1 4.12Å; M273-I315 HydrophobicContact SD-CG2 3.82Å; I274-I315 HydrophobicContact CD1-CD1 4.07Å; I311-I315 HydrophobicContact CG2-CD1 4.46Å; I315-Q318 WeakPolarHBondContact O-CG 3.28Å; I315-Q318 PolarHBondContact O-NE2 2.92Å; I315-P324 HydrophobicContact CB-CB 3.68Å; I315-P324 HydrophobicContact CB-CG 4.3Å; I315-P324 HydrophobicContact CD1-CB 4.44Å; I315-P324 HydrophobicContact CD1-CG 4.28Å; I315-P324 HydrophobicContact CG2-CB 3.9Å; I315-W371 HydrophobicContact CD1-CB 3.78Å; I315-I375 HydrophobicContact CD1-CD1 3.81Å; I315-I375 HydrophobicContact CD1-CG1 4.25Å; I315-I375 HydrophobicContact CG1-CD1 3.85Å; I315-I375 HydrophobicContact CG1-CG1 4.04Å
316Y96.4Very high91.7Very high17 Ų1747.5 Ų47.57%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-134.6148.4175.5-62.1-94000110.8F226 L231 Q318 Y332 M333 K335F226-Y316 AromaticContact CE2-CE2 3.97Å; F226-Y316 HydrophobicContact CE2-CE2 3.97Å; F226-Y316 HydrophobicContact CZ-CE2 4.04Å; F226-Y316 AromaticContact CZ-CZ 3.9Å; L231-Y316 HydrophobicContact CD2-CE1 3.97Å; Y316-Q318 HydrophobicContact CD1-CB 4.35Å; Y316-Q318 HydrophobicContact CD1-CG 3.72Å; Y316-Q318 VanDerWaalsContact CE1-CD 3.45Å; Y316-Q318 HydrophobicContact CE1-CG 3.98Å; Y316-Q318 HydrophobicContact CG-CG 4.31Å; Y316-Y332 WeakPolarHBondContact O-CA 3.28Å; Y316-M333 HydrophobicContact CD1-CE 4.21Å; Y316-M333 HydrophobicContact CD2-CE 3.77Å; Y316-M333 HydrophobicContact CE2-CE 4.39Å; Y316-M333 HydrophobicContact CG-CE 3.68Å; Y316-M333 PolarHBondContact N-O 2.94Å; Y316-M333 PolarHBondContact O-N 2.97Å; Y316-K335 HydrophobicContact CE2-CB 4.15Å; Y316-K335 HydrophobicContact CE2-CD 4.43Å; Y316-K335 PolarHBondContact OH-NZ 2.87Å
317P95.5Very high92.1Very high3 Ų345 Ų452%0.01923%0.228CC..SBendcis-67.21607.924.9-31.8000114.7F92 F235 P324 E325 N327F92-P317 HydrophobicContact CZ-CG 4.21Å; F235-P317 HydrophobicContact CB-CB 4.11Å; F235-P317 HydrophobicContact CB-CG 4.08Å; F235-P317 HydrophobicContact CD1-CB 4.38Å; F235-P317 HydrophobicContact CD1-CG 4.24Å; F235-P317 HydrophobicContact CD2-CB 3.61Å; F235-P317 HydrophobicContact CD2-CG 4.3Å; F235-P317 HydrophobicContact CE2-CB 4.13Å; F235-P317 HydrophobicContact CG-CB 3.76Å; F235-P317 HydrophobicContact CG-CG 3.93Å; P317-P324 WeakPolarHBondContact O-CA 3.23Å; P317-E325 HydrophobicContact CB-CG 3.93Å; P317-E325 HydrophobicContact CG-CG 3.76Å; P317-E325 PolarHBondContact O-N 2.9Å; P317-N327 HydrophobicContact CG-CB 3.94Å
318Q93.1Very high92.4Very high52 Ų5238.3 Ų38.324%0.24319%0.192CC..BIsolated β-bridgetrans-128.1142.9176.8-67.4-177.1-26.700109.6T312 I315 Y316 E323T312-Q318 PolarHBondContact O-NE2 3.17Å; I315-Q318 WeakPolarHBondContact O-CG 3.28Å; I315-Q318 PolarHBondContact O-NE2 2.92Å; Y316-Q318 HydrophobicContact CD1-CB 4.35Å; Y316-Q318 HydrophobicContact CD1-CG 3.72Å; Y316-Q318 VanDerWaalsContact CE1-CD 3.45Å; Y316-Q318 HydrophobicContact CE1-CG 3.98Å; Y316-Q318 HydrophobicContact CG-CG 4.31Å; Q318-E323 CarbonylContact C-O 3.55Å; Q318-E323 VanDerWaalsContact CA-O 3.24Å; Q318-E323 WeakPolarHBondContact CA-O 3.31Å
319N88.4Confident92.6Very high56 Ų5635.4 Ų35.430%0.29918%0.18SC..  trans-77.2-176.2175.478-4.6000112D321 G322 E323N319-D321 PolarHBondContact O-N 3.11Å; N319-D321 PolarHBondContact OD1-N 3.28Å; N319-G322 PolarHBondContact O-N 2.82Å; N319-G322 PolarHBondContact OD1-N 3.15Å; N319-E323 PolarHBondContact N-O 2.82Å; N319-E323 PolarHBondContact OD1-N 2.86Å; N319-E323 PolarHBondContact OD1-O 2.97Å
320K83.8Confident92.8Very high125 Ų12531.7 Ų31.754%0.54316%0.164SC..THydrogen-bonded Turntrans-62.7-21.6-178.4-61-176.4-177.1178.50114.7D99 E102 G322D99-K320 WeakPolarHBondContact OD1-CE 3.44Å; D99-K320 IonicContact OD1-NZ 2.63Å; D99-K320 PolarHBondContact OD1-NZ 2.71Å; D99-K320 WeakPolarHBondContact OD2-CE 3.29Å; D99-K320 IonicContact OD2-NZ 2.71Å; E102-K320 IonicContact OE2-NZ 3.7Å; E102-K320 PolarHBondContact OE2-NZ 2.93Å; K320-G322 VanDerWaalsContact C-N 3.34Å
321D85.1Confident92.9Very high128 Ų12831 Ų3168%0.68416%0.16SC*.THydrogen-bonded Turntrans-88.3-0.8174.8-55.9-63.5000113K309 N319 E323K309-D321 PolarHBondContact NZ-O 2.85Å; N319-D321 PolarHBondContact O-N 3.11Å; N319-D321 PolarHBondContact OD1-N 3.28Å; D321-E323 VanDerWaalsContact C-N 3.3Å; D321-E323 HydrophobicContact CB-CG 4.29Å
322G87.9Confident93Very high23 Ų2331 Ų3124%0.23716%0.16CC..SBendtrans67.530.1-172.200000112.8K309 N319 K320K309-G322 PolarHBondContact NZ-O 3.02Å; N319-G322 PolarHBondContact O-N 2.82Å; N319-G322 PolarHBondContact OD1-N 3.15Å; K320-G322 VanDerWaalsContact C-N 3.34Å
323E90.7Very high93.2Very high75 Ų7530.8 Ų30.835%0.3516%0.158SC..  trans-95.8141.2167.9-58.7-56.3161.300110.5K309 Q318 N319 D321K309-E323 WeakPolarHBondContact CE-OE1 3.29Å; K309-E323 WeakPolarHBondContact CE-OE2 3.35Å; K309-E323 IonicContact NZ-OE1 3.43Å; K309-E323 PolarHBondContact NZ-OE1 3.36Å; K309-E323 IonicContact NZ-OE2 3.17Å; K309-E323 PolarHBondContact NZ-OE2 3.3Å; Q318-E323 CarbonylContact C-O 3.55Å; Q318-E323 VanDerWaalsContact CA-O 3.24Å; Q318-E323 WeakPolarHBondContact CA-O 3.31Å; N319-E323 PolarHBondContact N-O 2.82Å; N319-E323 PolarHBondContact OD1-N 2.86Å; N319-E323 PolarHBondContact OD1-O 2.97Å; D321-E323 VanDerWaalsContact C-N 3.3Å; D321-E323 HydrophobicContact CB-CG 4.29Å
324P94.7Very high93.3Very high15 Ų1529.2 Ų29.210%0.09715%0.147CC..BIsolated β-bridgetrans-77.8132.2-176.433.9-37.4000111.9M273 I274 T312 I315 P317M273-P324 WeakPolarHBondContact CB-O 3.27Å; M273-P324 HydrophobicContact CG-CB 3.87Å; M273-P324 HydrophobicContact CG-CG 4.09Å; M273-P324 WeakPolarHBondContact CG-O 3.45Å; I274-P324 HydrophobicContact CD1-CG 3.63Å; I274-P324 HydrophobicContact CG1-CG 4.36Å; T312-P324 HydrophobicContact CG2-CG 4.2Å; I315-P324 HydrophobicContact CB-CB 3.68Å; I315-P324 HydrophobicContact CB-CG 4.3Å; I315-P324 HydrophobicContact CD1-CB 4.44Å; I315-P324 HydrophobicContact CD1-CG 4.28Å; I315-P324 HydrophobicContact CG2-CB 3.9Å; P317-P324 WeakPolarHBondContact O-CA 3.23Å
325E91.1Very high93.4Very high44 Ų4430.7 Ų30.721%0.20615%0.153CC..  trans-107.7163-171.867.8-178.1-174.400113.6F92 Q96 P317F92-E325 WeakPolarHBondContact CE2-OE1 3.37Å; Q96-E325 PolarHBondContact NE2-OE1 3.19Å; P317-E325 HydrophobicContact CB-CG 3.93Å; P317-E325 HydrophobicContact CG-CG 3.76Å; P317-E325 PolarHBondContact O-N 2.9Å
326Y93.9Very high93.4Very high43 Ų4330.6 Ų30.617%0.16915%0.153CC..  trans-81.7123.9172.3171.2-109.2000110.1P264 P271 P328 Y332 L370P264-Y326 HydrophobicContact CB-CE2 4.28Å; P264-Y326 HydrophobicContact CG-CE2 4.44Å; P271-Y326 HydrophobicContact CB-CD2 4.16Å; P271-Y326 HydrophobicContact CB-CE1 4.44Å; P271-Y326 HydrophobicContact CB-CE2 3.8Å; P271-Y326 HydrophobicContact CG-CD1 4.29Å; P271-Y326 HydrophobicContact CG-CD2 4.41Å; P271-Y326 HydrophobicContact CG-CE1 3.68Å; P271-Y326 HydrophobicContact CG-CE2 3.83Å; P271-Y326 VanDerWaalsContact CG-CZ 3.42Å; Y326-P328 HydrophobicContact CE1-CB 3.83Å; Y326-P328 WeakPolarHBondContact O-CD 3.27Å; Y326-Y332 WeakPolarHBondContact CD2-OH 3.15Å; Y326-Y332 WeakPolarHBondContact CE2-OH 3.35Å; Y326-L370 HydrophobicContact CD2-CD1 3.69Å; Y326-L370 HydrophobicContact CE2-CD1 3.83Å
327N94.9Very high93.4Very high0 Ų031.1 Ų31.10%016%0.156CC..  trans-101108.6174.7-178.35000110.6F92 F235 P317 C329 G330 K331 Y332F92-N327 WeakPolarHBondContact CD1-OD1 3.35Å; F92-N327 HydrophobicContact CE1-CB 4.36Å; F92-N327 WeakPolarHBondContact CE1-OD1 3.32Å; F92-N327 HydrophobicContact CZ-CB 4.13Å; F235-N327 PolarHBondContact O-ND2 3.18Å; P317-N327 HydrophobicContact CG-CB 3.94Å; N327-C329 PolarHBondContact O-N 2.82Å; N327-C329 WeakPolarHBondContact OD1-CA 3.42Å; N327-C329 WeakPolarHBondContact OD1-CB 3.43Å; N327-C329 PolarHBondContact OD1-N 2.82Å; N327-G330 PolarHBondContact O-N 3.34Å; N327-K331 PolarHBondContact ND2-N 2.76Å; N327-K331 PolarHBondContact ND2-O 3.5Å; N327-Y332 HydrophobicContact CB-CE1 3.75Å; N327-Y332 HydrophobicContact CB-CE2 4.4Å; N327-Y332 PolarHBondContact N-OH 3.04Å; N327-Y332 PolarHBondContact O-OH 2.85Å
328P93Very high93.4Very high12 Ų1231.5 Ų31.58%0.07816%0.158CC..THydrogen-bonded Turntrans-70.6-11.3174.831.5-36.4000113.4R89 F92 Y326R89-P328 WeakPolarHBondContact CD-O 3.43Å; R89-P328 HydrophobicContact CG-CB 3.92Å; R89-P328 HydrophobicContact CG-CG 4.2Å; R89-P328 VanDerWaalsContact CG-O 3.26Å; R89-P328 WeakPolarHBondContact CG-O 3.38Å; F92-P328 HydrophobicContact CB-CG 3.63Å; F92-P328 HydrophobicContact CD2-CG 4.48Å; F92-P328 HydrophobicContact CG-CG 4Å; Y326-P328 HydrophobicContact CE1-CB 3.83Å; Y326-P328 WeakPolarHBondContact O-CD 3.27Å
329C93.8Very high93.6Very high0 Ų029.9 Ų29.90%015%0.151CC..THydrogen-bonded Turntrans-79.5-3.4167.5-50.40000112.2Y237 F241 N327 K331Y237-C329 PolarHBondContact N-SG 2.94Å; Y237-C329 PolarHBondContact O-SG 3.25Å; F241-C329 WeakPolarHBondContact CB-O 3.49Å; F241-C329 PolarHBondContact N-O 3.34Å; N327-C329 PolarHBondContact O-N 2.82Å; N327-C329 WeakPolarHBondContact OD1-CA 3.42Å; N327-C329 WeakPolarHBondContact OD1-CB 3.43Å; N327-C329 PolarHBondContact OD1-N 2.82Å; C329-K331 VanDerWaalsContact C-N 3.3Å; C329-K331 PolarHBondContact O-N 2.82Å
330G95.3Very high93.8Very high0 Ų027.4 Ų27.40%014%0.138CC..  trans69.116.2167.600000116.4N327 D348 D349N327-G330 PolarHBondContact O-N 3.34Å; G330-D348 CarbonylContact O-C 3.58Å; G330-D348 VanDerWaalsContact O-CA 3.25Å; G330-D348 WeakPolarHBondContact O-CA 3.27Å; G330-D349 VanDerWaalsContact CA-OD2 3.29Å; G330-D349 WeakPolarHBondContact CA-OD2 3.44Å; G330-D349 PolarHBondContact O-N 3.24Å; G330-D349 VanDerWaalsContact O-N 3.14Å
331K96.7Very high94.4Very high5 Ų521.5 Ų21.52%0.02211%0.112CC..EExtended strand (participates in β ladder)trans-98.8131.4171.6-173.5-178.7176.9-171.20110.1E233 R234 F235 Y237 F241 N327 C329 I346E233-K331 WeakPolarHBondContact OE1-CE 3.43Å; E233-K331 IonicContact OE1-NZ 3.99Å; E233-K331 PolarHBondContact OE1-NZ 3.39Å; R234-K331 WeakPolarHBondContact O-CD 3.33Å; R234-K331 PolarHBondContact O-NZ 2.81Å; F235-K331 HydrophobicContact CD1-CB 4.28Å; F235-K331 HydrophobicContact CD1-CD 4.18Å; F235-K331 HydrophobicContact CD1-CG 4.04Å; F235-K331 WeakPolarHBondContact CD1-O 3.17Å; F235-K331 HydrophobicContact CE1-CG 4.35Å; Y237-K331 HydrophobicContact CD2-CD 4.47Å; Y237-K331 HydrophobicContact CE2-CD 3.57Å; Y237-K331 PolarHBondContact OH-NZ 3.48Å; F241-K331 HydrophobicContact CB-CB 3.69Å; F241-K331 HydrophobicContact CB-CG 4.47Å; F241-K331 HydrophobicContact CD1-CB 3.71Å; F241-K331 HydrophobicContact CD1-CG 3.74Å; F241-K331 HydrophobicContact CD2-CB 4.17Å; F241-K331 HydrophobicContact CD2-CD 3.92Å; F241-K331 HydrophobicContact CD2-CG 4.05Å; F241-K331 HydrophobicContact CE1-CB 4.38Å; F241-K331 HydrophobicContact CE1-CG 3.91Å; F241-K331 HydrophobicContact CE2-CD 3.98Å; F241-K331 HydrophobicContact CE2-CG 4.19Å; F241-K331 HydrophobicContact CG-CB 3.59Å; F241-K331 HydrophobicContact CG-CD 4.2Å; F241-K331 HydrophobicContact CG-CG 3.83Å; F241-K331 HydrophobicContact CZ-CD 4.32Å; F241-K331 HydrophobicContact CZ-CG 4.13Å; N327-K331 PolarHBondContact ND2-N 2.76Å; N327-K331 PolarHBondContact ND2-O 3.5Å; C329-K331 VanDerWaalsContact C-N 3.3Å; C329-K331 PolarHBondContact O-N 2.82Å; K331-I346 HydrophobicContact CG-CG2 4.22Å
332Y97.4Very high94.9Very high1 Ų118.2 Ų18.20%0.00410%0.098CC..EExtended strand (participates in β ladder)trans-134.3154.8174.6-63.3-82.5000111M273 Y316 Y326 N327 I346 I347 D349 L374M273-Y332 HydrophobicContact CE-CD1 3.43Å; M273-Y332 VanDerWaalsContact CE-CD1 3.43Å; M273-Y332 HydrophobicContact CE-CE1 3.07Å; M273-Y332 HydrophobicContact CE-CG 4.39Å; Y316-Y332 WeakPolarHBondContact O-CA 3.28Å; Y326-Y332 WeakPolarHBondContact CD2-OH 3.15Å; Y326-Y332 WeakPolarHBondContact CE2-OH 3.35Å; N327-Y332 HydrophobicContact CB-CE1 3.75Å; N327-Y332 HydrophobicContact CB-CE2 4.4Å; N327-Y332 PolarHBondContact N-OH 3.04Å; N327-Y332 PolarHBondContact O-OH 2.85Å; Y332-I346 CarbonylContact O-C 3.54Å; Y332-I346 WeakPolarHBondContact O-CA 3.39Å; Y332-I347 PolarHBondContact N-O 3.33Å; Y332-I347 PolarHBondContact O-N 2.9Å; Y332-D349 HydrophobicContact CD2-CB 4.05Å; Y332-D349 HydrophobicContact CE2-CB 3.73Å; Y332-L374 HydrophobicContact CD1-CD1 4.3Å; Y332-L374 HydrophobicContact CD2-CD1 3.93Å; Y332-L374 HydrophobicContact CD2-CD2 4.34Å; Y332-L374 HydrophobicContact CE1-CD1 4.39Å; Y332-L374 HydrophobicContact CE2-CD1 4.05Å; Y332-L374 HydrophobicContact CG-CD1 4.05Å
333M96.9Very high95.4Very high0 Ų017.1 Ų17.10%09%0.087CC..EExtended strand (participates in β ladder)trans-128.4128.4173171.6178.469.700109.1F226 D230 E233 F235 Y316 K344 V345 I346F226-M333 HydrophobicContact CE2-CE 3.69Å; F226-M333 HydrophobicContact CE2-SD 4.13Å; F226-M333 HydrophobicContact CZ-CE 4.26Å; D230-M333 HydrophobicContact CB-CE 4.47Å; D230-M333 HydrophobicContact CB-SD 4.44Å; D230-M333 WeakPolarHBondContact O-CE 3.19Å; E233-M333 HydrophobicContact CB-CE 4.35Å; E233-M333 HydrophobicContact CG-SD 4.41Å; F235-M333 HydrophobicContact CE1-CB 3.94Å; F235-M333 HydrophobicContact CZ-CB 3.81Å; F235-M333 HydrophobicContact CZ-CE 4.15Å; Y316-M333 HydrophobicContact CD1-CE 4.21Å; Y316-M333 HydrophobicContact CD2-CE 3.77Å; Y316-M333 HydrophobicContact CE2-CE 4.39Å; Y316-M333 HydrophobicContact CG-CE 3.68Å; Y316-M333 PolarHBondContact N-O 2.94Å; Y316-M333 PolarHBondContact O-N 2.97Å; M333-K344 HydrophobicContact CG-CB 3.97Å; M333-K344 HydrophobicContact SD-CB 3.57Å; M333-K344 VanDerWaalsContact SD-CB 3.57Å; M333-K344 HydrophobicContact SD-CD 3.7Å; M333-K344 HydrophobicContact SD-CG 4.28Å; M333-V345 WeakPolarHBondContact CA-O 3.39Å; M333-I346 HydrophobicContact CB-CG1 4.37Å; M333-I346 HydrophobicContact CG-CG1 4.44Å
334V97.7Very high95.5Very high1 Ų115.3 Ų15.31%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-111.3135.2173.7-173.40000109.1I314 L336 V345 I375 A378I314-V334 HydrophobicContact CD1-CG1 4.24Å; I314-V334 CarbonylContact O-C 3.56Å; I314-V334 WeakPolarHBondContact O-CA 3.16Å; V334-L336 HydrophobicContact CG1-CD2 3.84Å; V334-L336 HydrophobicContact CG1-CG 4.06Å; V334-V345 PolarHBondContact N-O 2.72Å; V334-V345 WeakPolarHBondContact O-CB 3.47Å; V334-V345 PolarHBondContact O-N 3.18Å; V334-I375 HydrophobicContact CG1-CG1 4.34Å; V334-A378 HydrophobicContact CB-CB 3.65Å; V334-A378 HydrophobicContact CG1-CB 4.18Å; V334-A378 HydrophobicContact CG2-CB 3.61Å
335K97.4Very high95.7Very high42 Ų4214.6 Ų14.618%0.1837%0.073CC..EExtended strand (participates in β ladder)trans-100106.5-179.1176.3179.466.4-156.40109.7F226 S313 I314 Y316 P342 R343F226-K335 HydrophobicContact CB-CG 4.46Å; F226-K335 HydrophobicContact CD1-CD 4.07Å; F226-K335 HydrophobicContact CD2-CB 4.04Å; F226-K335 HydrophobicContact CD2-CD 3.81Å; F226-K335 HydrophobicContact CD2-CG 3.75Å; F226-K335 HydrophobicContact CE1-CD 4.13Å; F226-K335 HydrophobicContact CE2-CB 4.14Å; F226-K335 HydrophobicContact CE2-CD 3.87Å; F226-K335 HydrophobicContact CE2-CG 4.14Å; F226-K335 HydrophobicContact CG-CD 3.93Å; F226-K335 HydrophobicContact CG-CG 4.07Å; F226-K335 HydrophobicContact CZ-CD 4.04Å; S313-K335 WeakPolarHBondContact O-CE 3.36Å; S313-K335 PolarHBondContact O-NZ 3.22Å; I314-K335 HydrophobicContact CB-CB 4.31Å; I314-K335 WeakPolarHBondContact CB-O 3.47Å; I314-K335 PolarHBondContact O-N 3.36Å; Y316-K335 HydrophobicContact CE2-CB 4.15Å; Y316-K335 HydrophobicContact CE2-CD 4.43Å; Y316-K335 PolarHBondContact OH-NZ 2.87Å; K335-P342 HydrophobicContact CG-CB 4.35Å; K335-R343 WeakPolarHBondContact CA-O 3.27Å
336L97.8Very high95.9Very high1 Ų114.4 Ų14.41%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-115.3146.3-177.5-61.3-178.9000111.1I314 V334 L338 P342 R343 V345 Y379 A399I314-L336 HydrophobicContact CD1-CD2 4.43Å; V334-L336 HydrophobicContact CG1-CD2 3.84Å; V334-L336 HydrophobicContact CG1-CG 4.06Å; L336-L338 HydrophobicContact CB-CD1 3.84Å; L336-L338 HydrophobicContact CB-CG 3.91Å; L336-L338 PolarHBondContact O-N 3.27Å; L336-P342 CarbonylContact O-C 3.59Å; L336-P342 WeakPolarHBondContact O-CA 3.07Å; L336-R343 PolarHBondContact N-O 3.24Å; L336-R343 VanDerWaalsContact N-O 3.07Å; L336-R343 PolarHBondContact O-N 2.8Å; L336-V345 HydrophobicContact CD1-CG2 4.17Å; L336-V345 HydrophobicContact CG-CG2 4.41Å; L336-Y379 HydrophobicContact CD1-CD2 4.14Å; L336-A399 CarbonylContact C-O 3.56Å; L336-A399 WeakPolarHBondContact CA-O 3.26Å
337H97Very high96.1Very high27 Ų2712.4 Ų12.413%0.1257%0.065CC..EExtended strand (participates in β ladder)trans-88.998179.3-168.794.9000111G340 V341 H398 A399H337-G340 PolarHBondContact CE1-O 3.48Å; H337-G340 PolarHBondContact NE2-O 2.84Å; H337-V341 CarbonylContact C-O 3.6Å; H337-H398 WeakPolarHBondContact CB-O 3.47Å; H337-H398 AromaticContact CD2-CE1 3.66Å; H337-H398 AromaticContact CD2-NE2 3.4Å; H337-H398 PolarHBondContact CD2-NE2 3.22Å; H337-H398 AromaticContact NE2-CE1 3.87Å; H337-H398 AromaticContact NE2-NE2 3.77Å; H337-A399 PolarHBondContact N-O 2.9Å; H337-A399 WeakPolarHBondContact O-CA 3.49Å
338L95.8Very high96.2Very high12 Ų1212.6 Ų12.66%0.0637%0.067CC..EExtended strand (participates in β ladder)trans-128.7131.2-166.6-64.2170.3000110.1L336 G340 V341 R343 V345 V382 A399L336-L338 HydrophobicContact CB-CD1 3.84Å; L336-L338 HydrophobicContact CB-CG 3.91Å; L336-L338 PolarHBondContact O-N 3.27Å; L338-G340 VanDerWaalsContact C-N 3.33Å; L338-G340 PolarHBondContact O-N 2.81Å; L338-V341 PolarHBondContact N-O 2.92Å; L338-V341 PolarHBondContact O-N 3.35Å; L338-R343 HydrophobicContact CB-CB 4.47Å; L338-R343 HydrophobicContact CB-CG 4.18Å; L338-R343 HydrophobicContact CD1-CB 4.49Å; L338-R343 WeakPolarHBondContact O-CD 3.42Å; L338-R343 PolarHBondContact O-NE 3.49Å; L338-V345 HydrophobicContact CD1-CG2 4.35Å; L338-V382 HydrophobicContact CD1-CB 4.39Å; L338-V382 HydrophobicContact CD1-CG1 3.77Å; L338-V382 HydrophobicContact CD1-CG2 3.78Å; L338-V382 HydrophobicContact CD2-CG1 4.08Å; L338-A399 HydrophobicContact CD2-CB 4.14Å
339N95.6Very high96.4Very high18 Ų1812.1 Ų12.110%0.0966%0.063CC..THydrogen-bonded Turntrans5251.1179.8-63.6-17000112.1T215 V341 H592 I593T215-N339 PolarHBondContact O-ND2 2.9Å; N339-V341 PolarHBondContact O-N 2.94Å; N339-H592 HydrophobicContact CB-CB 3.94Å; N339-H592 PolarHBondContact O-CE1 2.79Å; N339-H592 PolarHBondContact O-NE2 3.42Å; N339-H592 VanDerWaalsContact OD1-CA 3.24Å; N339-H592 WeakPolarHBondContact OD1-CA 3.4Å; N339-I593 PolarHBondContact ND2-O 2.78Å; N339-I593 PolarHBondContact OD1-N 3.47Å; N339-I593 PolarHBondContact OD1-O 3.15Å
340G94.3Very high96.6Very high3 Ų313.3 Ų13.33%0.0317%0.069CC..THydrogen-bonded Turntrans83.7-6.8171.800000117.4H337 L338 T668 R670H337-G340 PolarHBondContact CE1-O 3.48Å; H337-G340 PolarHBondContact NE2-O 2.84Å; L338-G340 VanDerWaalsContact C-N 3.33Å; L338-G340 PolarHBondContact O-N 2.81Å; G340-T668 WeakPolarHBondContact CA-OG1 3.21Å; G340-R670 PolarHBondContact O-NH2 3.44Å
341V95.5Very high96.6Very high1 Ų113.4 Ų13.41%0.0067%0.069CC..EExtended strand (participates in β ladder)trans-141.4154.6-174.1-63.30000111.8L212 P225 H337 L338 N339 R343L212-V341 HydrophobicContact CD1-CG1 4.16Å; L212-V341 HydrophobicContact CD2-CG1 3.85Å; L212-V341 HydrophobicContact CD2-CG2 3.9Å; P225-V341 HydrophobicContact CB-CG2 4.25Å; P225-V341 HydrophobicContact CG-CG2 4.26Å; H337-V341 CarbonylContact C-O 3.6Å; L338-V341 PolarHBondContact N-O 2.92Å; L338-V341 PolarHBondContact O-N 3.35Å; N339-V341 PolarHBondContact O-N 2.94Å; V341-R343 HydrophobicContact CG2-CG 3.98Å
342P96.5Very high96.6Very high59 Ų5913.1 Ų13.138%0.3837%0.068SC..EExtended strand (participates in β ladder)trans-59.6138.1163.5-2033.6000111P225 F226 K335 L336P225-P342 CarbonylContact C-O 3.34Å; P225-P342 WeakPolarHBondContact CA-O 3.25Å; F226-P342 HydrophobicContact CB-CB 4.07Å; F226-P342 PolarHBondContact N-O 3.39Å; K335-P342 HydrophobicContact CG-CB 4.35Å; L336-P342 CarbonylContact O-C 3.59Å; L336-P342 WeakPolarHBondContact O-CA 3.07Å
343R96.5Very high96.5Very high0 Ų013.2 Ų13.20%07%0.069CC..EExtended strand (participates in β ladder)trans-134.8150178.5-59.6-168.2-180-107.4-1.4110.5L212 S216 Y223 V224 K335 L336 L338 V341L212-R343 PolarHBondContact O-NH1 3.34Å; L212-R343 VanDerWaalsContact O-NH1 3.11Å; L212-R343 PolarHBondContact O-NH2 3.37Å; S216-R343 VanDerWaalsContact CA-NH1 3.3Å; Y223-R343 WeakPolarHBondContact O-CD 3.12Å; Y223-R343 PolarHBondContact O-NH1 2.86Å; V224-R343 VanDerWaalsContact O-CA 3.27Å; V224-R343 WeakPolarHBondContact O-CA 3.43Å; V224-R343 WeakPolarHBondContact O-CB 3.1Å; K335-R343 WeakPolarHBondContact CA-O 3.27Å; L336-R343 PolarHBondContact N-O 3.24Å; L336-R343 VanDerWaalsContact N-O 3.07Å; L336-R343 PolarHBondContact O-N 2.8Å; L338-R343 HydrophobicContact CB-CB 4.47Å; L338-R343 HydrophobicContact CB-CG 4.18Å; L338-R343 HydrophobicContact CD1-CB 4.49Å; L338-R343 WeakPolarHBondContact O-CD 3.42Å; L338-R343 PolarHBondContact O-NE 3.49Å; V341-R343 HydrophobicContact CG2-CG 3.98Å
344K94.6Very high96.4Very high38 Ų3814.4 Ų14.417%0.1658%0.075CC..EExtended strand (participates in β ladder)trans-88.1135.2175.168.1172.1175.9-173.20112.6V224 F226 D230 E233 M333 I346V224-K344 HydrophobicContact CG2-CD 4.44Å; V224-K344 HydrophobicContact CG2-CG 4Å; V224-K344 PolarHBondContact O-N 3.06Å; F226-K344 HydrophobicContact CD2-CB 4.06Å; D230-K344 HydrophobicContact CB-CD 4.14Å; D230-K344 VanDerWaalsContact OD1-CE 3.22Å; D230-K344 WeakPolarHBondContact OD1-CE 3.18Å; D230-K344 IonicContact OD1-NZ 2.79Å; D230-K344 PolarHBondContact OD1-NZ 2.84Å; E233-K344 IonicContact OE2-NZ 3.77Å; E233-K344 PolarHBondContact OE2-NZ 3.37Å; M333-K344 HydrophobicContact CG-CB 3.97Å; M333-K344 HydrophobicContact SD-CB 3.57Å; M333-K344 VanDerWaalsContact SD-CB 3.57Å; M333-K344 HydrophobicContact SD-CD 3.7Å; M333-K344 HydrophobicContact SD-CG 4.28Å; K344-I346 HydrophobicContact CD-CD1 4.46Å
345V97.3Very high96.1Very high0 Ų020.8 Ų20.80%010%0.104CC..EExtended strand (participates in β ladder)trans-122.495.9176-175.10000108.4Y223 M333 V334 L336 L338 I347 A378 K381 V382Y223-V345 HydrophobicContact CD1-CG1 4.46Å; Y223-V345 HydrophobicContact CD1-CG2 3.97Å; Y223-V345 HydrophobicContact CE1-CG1 4.05Å; Y223-V345 HydrophobicContact CE1-CG2 4.29Å; M333-V345 WeakPolarHBondContact CA-O 3.39Å; V334-V345 PolarHBondContact N-O 2.72Å; V334-V345 WeakPolarHBondContact O-CB 3.47Å; V334-V345 PolarHBondContact O-N 3.18Å; L336-V345 HydrophobicContact CD1-CG2 4.17Å; L336-V345 HydrophobicContact CG-CG2 4.41Å; L338-V345 HydrophobicContact CD1-CG2 4.35Å; V345-I347 HydrophobicContact CG1-CG2 4.29Å; V345-A378 HydrophobicContact CB-CB 4.31Å; V345-A378 HydrophobicContact CG1-CB 3.82Å; V345-K381 HydrophobicContact CG1-CD 4.45Å; V345-V382 HydrophobicContact CG1-CG2 4.11Å; V345-V382 HydrophobicContact CG2-CG2 3.65Å
346I96.8Very high95.7Very high40 Ų4027.3 Ų27.321%0.20513%0.133CC..EExtended strand (participates in β ladder)trans-78.1135.9174.4-59.1171.8000108.9F241 K331 Y332 M333 K344 K381F241-I346 HydrophobicContact CE1-CG2 3.99Å; F241-I346 HydrophobicContact CZ-CG2 3.8Å; K331-I346 HydrophobicContact CG-CG2 4.22Å; Y332-I346 CarbonylContact O-C 3.54Å; Y332-I346 WeakPolarHBondContact O-CA 3.39Å; M333-I346 HydrophobicContact CB-CG1 4.37Å; M333-I346 HydrophobicContact CG-CG1 4.44Å; K344-I346 HydrophobicContact CD-CD1 4.46Å; I346-K381 PolarHBondContact O-NZ 3.42Å
347I97.7Very high95.2Very high0 Ų028.6 Ų28.60%015%0.146CC..EExtended strand (participates in β ladder)trans-137.2158.9175.659.7174.7000110.8Y332 V345 L374 K377 A378 K381Y332-I347 PolarHBondContact N-O 3.33Å; Y332-I347 PolarHBondContact O-N 2.9Å; V345-I347 HydrophobicContact CG1-CG2 4.29Å; I347-L374 HydrophobicContact CD1-CB 4.09Å; I347-L374 HydrophobicContact CD1-CD2 3.94Å; I347-L374 VanDerWaalsContact CD1-O 3.24Å; I347-L374 WeakPolarHBondContact CD1-O 3.19Å; I347-K377 HydrophobicContact CD1-CB 4.33Å; I347-K377 HydrophobicContact CD1-CD 4.35Å; I347-K377 HydrophobicContact CD1-CG 4.41Å; I347-A378 HydrophobicContact CD1-CB 4.33Å; I347-A378 HydrophobicContact CG2-CB 4.28Å; I347-K381 HydrophobicContact CG2-CD 3.87Å
348D97.4Very high94.8Very high5 Ų530.8 Ų30.83%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-87.3175.115674.929.9000111.7F241 C242 D243 G330 Q350 K377F241-D348 HydrophobicContact CD1-CB 3.73Å; F241-D348 HydrophobicContact CE1-CB 4.18Å; F241-D348 WeakPolarHBondContact O-CB 3.41Å; C242-D348 WeakPolarHBondContact CA-OD2 3.3Å; D243-D348 HydrophobicContact CB-CB 4.49Å; D243-D348 PolarHBondContact N-OD2 3.09Å; G330-D348 CarbonylContact O-C 3.58Å; G330-D348 VanDerWaalsContact O-CA 3.25Å; G330-D348 WeakPolarHBondContact O-CA 3.27Å; D348-Q350 WeakPolarHBondContact OD1-CB 3.28Å; D348-Q350 PolarHBondContact OD1-N 2.96Å; D348-Q350 PolarHBondContact OD2-NE2 3.08Å; D348-K377 WeakPolarHBondContact O-CE 3.42Å; D348-K377 PolarHBondContact O-NZ 3.23Å; D348-K377 IonicContact OD1-NZ 3.11Å; D348-K377 PolarHBondContact OD1-NZ 3.33Å
349D96.6Very high94.7Very high2 Ų231.6 Ų31.61%0.01116%0.161CC..  trans-98.713.4-179.966.8-3.2000115.6R263 P264 G330 Y332 L351 L374R263-D349 WeakPolarHBondContact CD-OD1 3.34Å; R263-D349 WeakPolarHBondContact CG-OD1 3.32Å; R263-D349 IonicContact CZ-OD1 2.82Å; R263-D349 IonicContact NE-OD1 2.75Å; R263-D349 IonicContact NH1-OD1 3.23Å; R263-D349 PolarHBondContact NH1-OD1 3.13Å; P264-D349 VanDerWaalsContact CD-CG 3.45Å; P264-D349 WeakPolarHBondContact CD-OD2 3.49Å; P264-D349 HydrophobicContact CG-CB 4.17Å; G330-D349 VanDerWaalsContact CA-OD2 3.29Å; G330-D349 WeakPolarHBondContact CA-OD2 3.44Å; G330-D349 PolarHBondContact O-N 3.24Å; G330-D349 VanDerWaalsContact O-N 3.14Å; Y332-D349 HydrophobicContact CD2-CB 4.05Å; Y332-D349 HydrophobicContact CE2-CB 3.73Å; D349-L351 PolarHBondContact O-N 2.92Å; D349-L374 HydrophobicContact CB-CD2 4.05Å
350Q96.7Very high94.6Very high25 Ų2531.2 Ų31.212%0.11716%0.159CC..  trans-67.3120.4174.8-62.4-17960.700110.4K247 W261 V262 R263 D348 K377K247-Q350 VanDerWaalsContact CE-OE1 3.28Å; W261-Q350 HydrophobicContact CB-CB 4.45Å; W261-Q350 HydrophobicContact CE3-CB 4.16Å; W261-Q350 VanDerWaalsContact CE3-O 3.3Å; W261-Q350 WeakPolarHBondContact CZ3-O 3.35Å; V262-Q350 CarbonylContact O-C 3.53Å; V262-Q350 WeakPolarHBondContact O-CA 3.3Å; R263-Q350 HydrophobicContact CG-CG 4.27Å; D348-Q350 WeakPolarHBondContact OD1-CB 3.28Å; D348-Q350 PolarHBondContact OD1-N 2.96Å; D348-Q350 PolarHBondContact OD2-NE2 3.08Å; Q350-K377 PolarHBondContact O-NZ 3.39Å
351L96.3Very high94.6Very high1 Ų131 Ų311%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-112.4147.8178-60.5176.6000111.1W261 V262 D349 L359 K377W261-L351 CarbonylContact C-O 3.53Å; W261-L351 VanDerWaalsContact CA-O 3.3Å; W261-L351 WeakPolarHBondContact CA-O 3.37Å; V262-L351 PolarHBondContact N-O 2.88Å; V262-L351 PolarHBondContact O-N 2.96Å; D349-L351 PolarHBondContact O-N 2.92Å; L351-L359 HydrophobicContact CB-CD2 3.56Å; L351-L359 HydrophobicContact CD1-CD1 4.35Å; L351-L359 HydrophobicContact CD1-CD2 3.76Å; L351-L359 HydrophobicContact CG-CD2 4.3Å; L351-K377 HydrophobicContact CD2-CD 4.24Å
352P96.3Very high94.5Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-82.5136.3178.132.3-30.9000110.9L250 F258 W261 L360 Y386L250-P352 HydrophobicContact CD2-CB 3.91Å; L250-P352 HydrophobicContact CD2-CG 4.07Å; F258-P352 HydrophobicContact CD2-CB 4.08Å; F258-P352 HydrophobicContact CE2-CB 4.2Å; W261-P352 HydrophobicContact CD2-CB 4.27Å; W261-P352 HydrophobicContact CE3-CB 4.21Å; W261-P352 HydrophobicContact CH2-CB 4.26Å; W261-P352 HydrophobicContact CH2-CG 4.23Å; W261-P352 HydrophobicContact CZ2-CB 4.3Å; W261-P352 HydrophobicContact CZ3-CB 4.22Å; W261-P352 HydrophobicContact CZ3-CG 4.13Å; P352-L360 HydrophobicContact CB-CB 4.27Å; P352-L360 HydrophobicContact CG-CB 4.15Å; P352-L360 PolarHBondContact O-N 2.95Å; P352-Y386 HydrophobicContact CG-CE2 4.31Å
353V95.4Very high94.3Very high2 Ų229.9 Ų29.91%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-126.3155.2176-69.90000113.2S259 K260 V262 L267 E358 L359S259-V353 PolarHBondContact N-O 2.68Å; K260-V353 HydrophobicContact CG-CG2 3.87Å; K260-V353 WeakPolarHBondContact O-CG2 3.42Å; K260-V353 PolarHBondContact O-N 2.78Å; V262-V353 HydrophobicContact CG1-CG2 3.89Å; V262-V353 HydrophobicContact CG2-CB 4.31Å; V262-V353 HydrophobicContact CG2-CG1 3.51Å; V262-V353 HydrophobicContact CG2-CG2 3.83Å; L267-V353 HydrophobicContact CD2-CG1 4.26Å; V353-E358 CarbonylContact C-O 3.59Å; V353-E358 VanDerWaalsContact CA-O 3.23Å; V353-E358 WeakPolarHBondContact CA-O 3.21Å; V353-E358 WeakPolarHBondContact CB-O 3.37Å; V353-L359 HydrophobicContact CG1-CD2 3.88Å; V353-L359 HydrophobicContact CG1-CG 4.44Å
354D94.5Very high93.9Very high25 Ų2530 Ų3013%0.13415%0.146CC..EExtended strand (participates in β ladder)trans-79.2-179.9174.390.9-27.9000112.9T257 S259 K356 G357 E358 L360T257-D354 WeakPolarHBondContact O-CA 3.47Å; S259-D354 WeakPolarHBondContact CB-O 3.16Å; D354-K356 PolarHBondContact O-N 3.14Å; D354-K356 VanDerWaalsContact OD1-CA 3.29Å; D354-K356 WeakPolarHBondContact OD1-CA 3.15Å; D354-K356 VanDerWaalsContact OD1-CB 3.31Å; D354-K356 WeakPolarHBondContact OD1-CB 3.02Å; D354-K356 PolarHBondContact OD1-N 3.44Å; D354-G357 PolarHBondContact O-N 3.1Å; D354-G357 VanDerWaalsContact O-N 3.14Å; D354-G357 PolarHBondContact OD1-N 3.07Å; D354-E358 PolarHBondContact N-O 2.95Å; D354-E358 PolarHBondContact OD1-N 2.86Å; D354-L360 HydrophobicContact CB-CD1 4.41Å; D354-L360 HydrophobicContact CB-CD2 3.8Å; D354-L360 HydrophobicContact CB-CG 4.27Å
355H91.6Very high93.2Very high135 Ų13532.4 Ų32.463%0.62516%0.161SC*.THydrogen-bonded Turntrans-67.2-7.9177.4-56.4-55.8000114.8T257 F258 S259T257-H355 PolarHBondContact O-CD2 3.22Å; T257-H355 PolarHBondContact O-N 2.98Å; F258-H355 PolarHBondContact O-CE1 3.06Å; F258-H355 VanDerWaalsContact O-CE1 3.32Å; S259-H355 VanDerWaalsContact CB-ND1 3.31Å; S259-H355 WeakPolarHBondContact CB-ND1 3.14Å; S259-H355 PolarHBondContact OG-ND1 2.88Å
356K89Confident92.3Very high180 Ų18033.5 Ų33.578%0.78317%0.167SC*.THydrogen-bonded Turntrans-100.6-8174.7-57170.2-177.6170.90112.5D354D354-K356 PolarHBondContact O-N 3.14Å; D354-K356 VanDerWaalsContact OD1-CA 3.29Å; D354-K356 WeakPolarHBondContact OD1-CA 3.15Å; D354-K356 VanDerWaalsContact OD1-CB 3.31Å; D354-K356 WeakPolarHBondContact OD1-CB 3.02Å; D354-K356 PolarHBondContact OD1-N 3.44Å
357G87.2Confident91.5Very high28 Ų2837.7 Ų37.729%0.28918%0.183SC..SBendtrans85.713.4-174.700000114.2D354D354-G357 PolarHBondContact O-N 3.1Å; D354-G357 VanDerWaalsContact O-N 3.14Å; D354-G357 PolarHBondContact OD1-N 3.07Å
358E89.8Confident90.8Very high72 Ų7238.5 Ų38.534%0.33619%0.189SC..  trans-84.7143.8173.2-62.3-59.515600111V353 D354 K367V353-E358 CarbonylContact C-O 3.59Å; V353-E358 VanDerWaalsContact CA-O 3.23Å; V353-E358 WeakPolarHBondContact CA-O 3.21Å; V353-E358 WeakPolarHBondContact CB-O 3.37Å; D354-E358 PolarHBondContact N-O 2.95Å; D354-E358 PolarHBondContact OD1-N 2.86Å; E358-K367 IonicContact OE1-NZ 2.73Å; E358-K367 PolarHBondContact OE1-NZ 2.82Å; E358-K367 WeakPolarHBondContact OE2-CE 3.26Å; E358-K367 IonicContact OE2-NZ 3.24Å; E358-K367 PolarHBondContact OE2-NZ 2.62Å
359L93.1Very high90.5Very high29 Ų2938.5 Ų38.515%0.15219%0.189CC..BIsolated β-bridgetrans-68.1138.2-177.8-75.3170.6000112.4L267 L351 V353 Y363L267-L359 HydrophobicContact CD1-CD2 3.97Å; L267-L359 HydrophobicContact CD1-CG 4.4Å; L351-L359 HydrophobicContact CB-CD2 3.56Å; L351-L359 HydrophobicContact CD1-CD1 4.35Å; L351-L359 HydrophobicContact CD1-CD2 3.76Å; L351-L359 HydrophobicContact CG-CD2 4.3Å; V353-L359 HydrophobicContact CG1-CD2 3.88Å; V353-L359 HydrophobicContact CG1-CG 4.44Å; L359-Y363 HydrophobicContact CB-CD1 3.71Å; L359-Y363 HydrophobicContact CB-CE1 4.37Å; L359-Y363 HydrophobicContact CB-CG 4.48Å; L359-Y363 HydrophobicContact CD1-CD1 4.45Å; L359-Y363 HydrophobicContact CD1-CG 4.44Å
360L93.9Very high90.4Very high10 Ų1038.8 Ų38.85%0.05219%0.191CC..SBendtrans-101.10.3177.2-60.7-173.7000113.8Q254 F258 T285 I286 P352 D354Q254-L360 HydrophobicContact CG-CB 4.32Å; Q254-L360 PolarHBondContact NE2-O 2.88Å; F258-L360 HydrophobicContact CB-CD1 3.98Å; T285-L360 PolarHBondContact OG1-O 3.18Å; I286-L360 HydrophobicContact CD1-CB 4.43Å; I286-L360 HydrophobicContact CD1-CD1 4.48Å; I286-L360 HydrophobicContact CD1-CD2 3.69Å; I286-L360 HydrophobicContact CD1-CG 4.42Å; I286-L360 HydrophobicContact CG1-CD2 4.24Å; P352-L360 HydrophobicContact CB-CB 4.27Å; P352-L360 HydrophobicContact CG-CB 4.15Å; P352-L360 PolarHBondContact O-N 2.95Å; D354-L360 HydrophobicContact CB-CD1 4.41Å; D354-L360 HydrophobicContact CB-CD2 3.8Å; D354-L360 HydrophobicContact CB-CG 4.27Å
361C93.4Very high90.3Very high0 Ų037.6 Ų37.60%019%0.185CC..SBendtrans-90.7172.4160.562.40000109.9T285 E376 Y386T285-C361 WeakPolarHBondContact CG2-O 3.37Å; T285-C361 PolarHBondContact OG1-O 3.44Å; C361-E376 VanDerWaalsContact CA-OE2 3.28Å; C361-E376 WeakPolarHBondContact CA-OE2 3.18Å; C361-E376 WeakPolarHBondContact CB-OE2 3.21Å; C361-Y386 HydrophobicContact CB-CE1 4.06Å
362S93.4Very high90.2Very high0 Ų037.6 Ų37.60%019%0.185CC..  trans-66.7151.4164-59.10000110.5K283 Q284 V293 S373 E376K283-S362 WeakPolarHBondContact O-CA 3.24Å; Q284-S362 WeakPolarHBondContact CA-OG 3.35Å; V293-S362 VanDerWaalsContact CG2-OG 3.27Å; V293-S362 WeakPolarHBondContact CG2-OG 3.39Å; S362-S373 WeakPolarHBondContact O-CA 3.25Å; S362-S373 PolarHBondContact O-OG 3.37Å; S362-E376 WeakPolarHBondContact CB-OE1 3.36Å; S362-E376 PolarHBondContact N-OE1 2.73Å; S362-E376 PolarHBondContact N-OE2 2.99Å; S362-E376 PolarHBondContact OG-OE1 3.1Å
363Y91.8Very high90.2Very high36 Ų3637.6 Ų37.614%0.14119%0.185CC..EExtended strand (participates in β ladder)trans-146.6171.4-172.658.6-115.6000113.4K283 T285 L359K283-Y363 HydrophobicContact CB-CD2 4.28Å; K283-Y363 HydrophobicContact CB-CE2 4.13Å; K283-Y363 HydrophobicContact CD-CE2 3.77Å; K283-Y363 HydrophobicContact CG-CE2 4.25Å; K283-Y363 PolarHBondContact N-O 3.05Å; K283-Y363 PolarHBondContact NZ-OH 3.34Å; K283-Y363 PolarHBondContact O-N 2.87Å; T285-Y363 HydrophobicContact CG2-CD1 3.45Å; T285-Y363 VanDerWaalsContact CG2-CD1 3.45Å; T285-Y363 HydrophobicContact CG2-CE1 3.22Å; L359-Y363 HydrophobicContact CB-CD1 3.71Å; L359-Y363 HydrophobicContact CB-CE1 4.37Å; L359-Y363 HydrophobicContact CB-CG 4.48Å; L359-Y363 HydrophobicContact CD1-CD1 4.45Å; L359-Y363 HydrophobicContact CD1-CG 4.44Å
364S88.3Confident90.3Very high3 Ų337.7 Ų37.72%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-88141.8163.8176.80000111S281 N366 E369S281-S364 VanDerWaalsContact CB-OG 3.28Å; S281-S364 WeakPolarHBondContact CB-OG 3.1Å; S281-S364 CarbonylContact O-C 3.59Å; S281-S364 WeakPolarHBondContact O-CA 3.16Å; S281-S364 PolarHBondContact OG-OG 3.01Å; S364-N366 CarbonylContact O-C 3.53Å; S364-N366 PolarHBondContact O-N 2.94Å; S364-N366 VanDerWaalsContact O-N 3.11Å; S364-N366 PolarHBondContact OG-N 3.27Å; S364-E369 WeakPolarHBondContact CB-OE2 2.85Å; S364-E369 PolarHBondContact OG-OE2 3.32Å
365N81.2Confident90.4Very high87 Ų8736.5 Ų36.547%0.46518%0.179SC..SBendtrans-58.3-17.1168.8-71.2-40.4000112.7F280 S281F280-N365 PolarHBondContact O-ND2 2.75Å; S281-N365 PolarHBondContact O-N 2.76Å; S281-N365 PolarHBondContact O-ND2 2.94Å
366N78.9Confident90.6Very high23 Ų2330 Ų3012%0.12315%0.149CC..SBendtrans-86.9107.5161.6-175.2-15.1000109.6F31 S364 S368 E369F31-N366 WeakPolarHBondContact CD1-ND2 3Å; F31-N366 HydrophobicContact CD2-CB 3.84Å; F31-N366 VanDerWaalsContact CE1-ND2 3.32Å; F31-N366 WeakPolarHBondContact CE1-ND2 3.47Å; F31-N366 HydrophobicContact CE2-CB 3.67Å; F31-N366 HydrophobicContact CG-CB 4.43Å; F31-N366 HydrophobicContact CZ-CB 4.1Å; F31-N366 WeakPolarHBondContact CZ-ND2 3.32Å; S364-N366 CarbonylContact O-C 3.53Å; S364-N366 PolarHBondContact O-N 2.94Å; S364-N366 VanDerWaalsContact O-N 3.11Å; S364-N366 PolarHBondContact OG-N 3.27Å; N366-S368 PolarHBondContact O-N 2.79Å; N366-S368 WeakPolarHBondContact OD1-CB 3.45Å; N366-S368 PolarHBondContact OD1-N 3.41Å; N366-E369 HydrophobicContact CB-CG 4.07Å; N366-E369 PolarHBondContact O-N 2.82Å
367K79.4Confident91Very high128 Ų12821.8 Ų21.856%0.55711%0.113SC*.THydrogen-bonded Turntrans-61.6-10-179.5-69.7-163.1171.2-162.70114.9E358E358-K367 IonicContact OE1-NZ 2.73Å; E358-K367 PolarHBondContact OE1-NZ 2.82Å; E358-K367 WeakPolarHBondContact OE2-CE 3.26Å; E358-K367 IonicContact OE2-NZ 3.24Å; E358-K367 PolarHBondContact OE2-NZ 2.62Å
368S83.4Confident91.5Very high17 Ų1720.4 Ų20.412%0.11910%0.099CC..THydrogen-bonded Turntrans-90.1-12.9172.8-84.20000114.8T268 N270 T272 N366T268-S368 PolarHBondContact OG1-OG 3.02Å; N270-S368 WeakPolarHBondContact O-CB 3.46Å; N270-S368 PolarHBondContact O-OG 3.06Å; T272-S368 PolarHBondContact N-O 2.76Å; N366-S368 PolarHBondContact O-N 2.79Å; N366-S368 WeakPolarHBondContact OD1-CB 3.45Å; N366-S368 PolarHBondContact OD1-N 3.41Å
369E90Very high91.9Very high5 Ų517 Ų172%0.0238%0.083CC..BIsolated β-bridgetrans-86.6134.7178.5-72.6-169.2113.600112.6T272 Y275 T276 S364 N366 W371T272-E369 WeakPolarHBondContact O-CA 3.34Å; Y275-E369 WeakPolarHBondContact CA-OE1 3.31Å; Y275-E369 WeakPolarHBondContact CB-OE1 3.17Å; Y275-E369 PolarHBondContact N-OE1 3.42Å; T276-E369 PolarHBondContact N-OE1 3.19Å; T276-E369 VanDerWaalsContact O-OE1 3.12Å; S364-E369 WeakPolarHBondContact CB-OE2 2.85Å; S364-E369 PolarHBondContact OG-OE2 3.32Å; N366-E369 HydrophobicContact CB-CG 4.07Å; N366-E369 PolarHBondContact O-N 2.82Å; E369-W371 PolarHBondContact OE1-NE1 2.86Å
370L93.9Very high92Very high9 Ų915.6 Ų15.65%0.0478%0.076CC..  trans-109.1-22.5-173.7-55.9-179.5000114.8P264 P271 T272 M273 Y326 V372 S373 L374P264-L370 HydrophobicContact CB-CD1 3.79Å; P264-L370 HydrophobicContact CB-CD2 3.84Å; P264-L370 HydrophobicContact CB-CG 4.45Å; P264-L370 HydrophobicContact CG-CD1 3.49Å; P264-L370 VanDerWaalsContact CG-CD1 3.49Å; P264-L370 HydrophobicContact CG-CD2 3.77Å; P264-L370 HydrophobicContact CG-CG 4.28Å; P271-L370 HydrophobicContact CB-CD1 4.32Å; T272-L370 PolarHBondContact O-N 3.47Å; T272-L370 VanDerWaalsContact O-N 3.16Å; M273-L370 PolarHBondContact O-N 2.82Å; Y326-L370 HydrophobicContact CD2-CD1 3.69Å; Y326-L370 HydrophobicContact CE2-CD1 3.83Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.15Å; L370-S373 PolarHBondContact O-N 2.94Å; L370-S373 VanDerWaalsContact O-N 3.13Å; L370-L374 HydrophobicContact CB-CD1 3.73Å; L370-L374 HydrophobicContact CB-CG 4.22Å; L370-L374 WeakPolarHBondContact O-CG 3.25Å; L370-L374 PolarHBondContact O-N 3.45Å
371W94.8Very high92.1Very high0 Ų015.6 Ų15.60%08%0.076CC..Hα-helixtrans-54.3-41.5-169.767.7-86.6000114.8M273 I274 I282 A300 I311 I315 E369 I375M273-W371 WeakPolarHBondContact O-CB 3.34Å; M273-W371 PolarHBondContact O-N 2.98Å; M273-W371 VanDerWaalsContact O-N 3.09Å; M273-W371 HydrophobicContact SD-CB 4.1Å; I274-W371 HydrophobicContact CD1-CB 4.27Å; I274-W371 HydrophobicContact CD1-CG 4.38Å; I274-W371 HydrophobicContact CG1-CB 3.62Å; I274-W371 HydrophobicContact CG1-CD2 4.45Å; I274-W371 HydrophobicContact CG1-CG 3.65Å; I282-W371 HydrophobicContact CD1-CH2 3.53Å; I282-W371 HydrophobicContact CD1-CZ2 4.33Å; I282-W371 HydrophobicContact CD1-CZ3 4.17Å; I282-W371 HydrophobicContact CG1-CH2 3.74Å; I282-W371 HydrophobicContact CG1-CZ2 4.05Å; A300-W371 HydrophobicContact CB-CH2 3.83Å; I311-W371 HydrophobicContact CG1-CZ3 4.5Å; I311-W371 HydrophobicContact CG2-CD2 4.42Å; I311-W371 HydrophobicContact CG2-CE3 3.63Å; I311-W371 HydrophobicContact CG2-CZ3 3.78Å; I315-W371 HydrophobicContact CD1-CB 3.78Å; E369-W371 PolarHBondContact OE1-NE1 2.86Å; W371-I375 HydrophobicContact CE3-CD1 4.24Å; W371-I375 WeakPolarHBondContact O-CB 3.2Å; W371-I375 VanDerWaalsContact O-CG1 3.31Å; W371-I375 WeakPolarHBondContact O-CG1 3.24Å; W371-I375 PolarHBondContact O-N 3.41Å
372V95.1Very high92.2Very high0 Ų015.7 Ų15.70%08%0.076CC..Hα-helixtrans-59.3-53.6178-1780000110.5I282 L296 L370 L374 E376I282-V372 HydrophobicContact CG1-CG2 4.09Å; I282-V372 HydrophobicContact CG2-CG1 3.92Å; I282-V372 HydrophobicContact CG2-CG2 4.47Å; L296-V372 HydrophobicContact CD1-CG1 4.43Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.15Å; V372-L374 VanDerWaalsContact C-N 3.35Å; V372-L374 PolarHBondContact O-N 2.92Å; V372-E376 WeakPolarHBondContact O-CB 3.35Å; V372-E376 PolarHBondContact O-N 2.91Å
373S95.7Very high92.2Very high1 Ų116.2 Ų16.21%0.0078%0.079CC..Hα-helixtrans-63.9-39.4-177-44.10000112.1S362 L370 K377S362-S373 WeakPolarHBondContact O-CA 3.25Å; S362-S373 PolarHBondContact O-OG 3.37Å; L370-S373 PolarHBondContact O-N 2.94Å; L370-S373 VanDerWaalsContact O-N 3.13Å; S373-K377 VanDerWaalsContact O-CB 3.22Å; S373-K377 WeakPolarHBondContact O-CB 3.33Å; S373-K377 PolarHBondContact O-N 3.22Å
374L97.1Very high92.2Very high3 Ų315.2 Ų15.22%0.0168%0.08CC..Hα-helixtrans-76.1-40-177.9-67.9176.2000112.6M273 Y332 I347 D349 L370 V372 K377 A378M273-L374 HydrophobicContact CE-CD1 3.62Å; M273-L374 HydrophobicContact SD-CD1 4.23Å; Y332-L374 HydrophobicContact CD1-CD1 4.3Å; Y332-L374 HydrophobicContact CD2-CD1 3.93Å; Y332-L374 HydrophobicContact CD2-CD2 4.34Å; Y332-L374 HydrophobicContact CE1-CD1 4.39Å; Y332-L374 HydrophobicContact CE2-CD1 4.05Å; Y332-L374 HydrophobicContact CG-CD1 4.05Å; I347-L374 HydrophobicContact CD1-CB 4.09Å; I347-L374 HydrophobicContact CD1-CD2 3.94Å; I347-L374 VanDerWaalsContact CD1-O 3.24Å; I347-L374 WeakPolarHBondContact CD1-O 3.19Å; D349-L374 HydrophobicContact CB-CD2 4.05Å; L370-L374 HydrophobicContact CB-CD1 3.73Å; L370-L374 HydrophobicContact CB-CG 4.22Å; L370-L374 WeakPolarHBondContact O-CG 3.25Å; L370-L374 PolarHBondContact O-N 3.45Å; V372-L374 VanDerWaalsContact C-N 3.35Å; V372-L374 PolarHBondContact O-N 2.92Å; L374-K377 PolarHBondContact O-N 3.29Å; L374-A378 PolarHBondContact O-N 2.8Å
375I97.4Very high92.5Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-68.4-41.6174.9-65171.7000110.7F292 L296 I311 I314 I315 V334 W371 K377 A378 Y379 L400F292-I375 HydrophobicContact CE1-CG2 4.02Å; F292-I375 HydrophobicContact CZ-CG2 3.7Å; L296-I375 HydrophobicContact CD2-CB 4.34Å; L296-I375 HydrophobicContact CD2-CD1 4.35Å; L296-I375 HydrophobicContact CD2-CG2 3.76Å; I311-I375 HydrophobicContact CG2-CD1 3.96Å; I314-I375 HydrophobicContact CD1-CD1 4.31Å; I315-I375 HydrophobicContact CD1-CD1 3.81Å; I315-I375 HydrophobicContact CD1-CG1 4.25Å; I315-I375 HydrophobicContact CG1-CD1 3.85Å; I315-I375 HydrophobicContact CG1-CG1 4.04Å; V334-I375 HydrophobicContact CG1-CG1 4.34Å; W371-I375 HydrophobicContact CE3-CD1 4.24Å; W371-I375 WeakPolarHBondContact O-CB 3.2Å; W371-I375 VanDerWaalsContact O-CG1 3.31Å; W371-I375 WeakPolarHBondContact O-CG1 3.24Å; W371-I375 PolarHBondContact O-N 3.41Å; I375-K377 PolarHBondContact O-N 2.85Å; I375-A378 PolarHBondContact O-N 3.33Å; I375-Y379 PolarHBondContact O-N 3.4Å; I375-L400 HydrophobicContact CG2-CD1 3.96Å
376E96.8Very high93Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-59.8-46.3172.4-173.4-171.5-106.400111.1F292 C361 S362 V372 A378 Y379 M380 Y386F292-E376 HydrophobicContact CE1-CB 4.38Å; C361-E376 VanDerWaalsContact CA-OE2 3.28Å; C361-E376 WeakPolarHBondContact CA-OE2 3.18Å; C361-E376 WeakPolarHBondContact CB-OE2 3.21Å; S362-E376 WeakPolarHBondContact CB-OE1 3.36Å; S362-E376 PolarHBondContact N-OE1 2.73Å; S362-E376 PolarHBondContact N-OE2 2.99Å; S362-E376 PolarHBondContact OG-OE1 3.1Å; V372-E376 WeakPolarHBondContact O-CB 3.35Å; V372-E376 PolarHBondContact O-N 2.91Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 PolarHBondContact O-N 3.07Å; E376-Y379 PolarHBondContact O-N 2.91Å; E376-Y379 VanDerWaalsContact O-N 3.15Å; E376-M380 HydrophobicContact CG-CG 4Å; E376-M380 WeakPolarHBondContact O-CB 3.12Å; E376-M380 VanDerWaalsContact O-CG 3.27Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.41Å; E376-Y386 HydrophobicContact CG-CE1 4.37Å; E376-Y386 WeakPolarHBondContact OE2-CE1 3.46Å
377K97.3Very high93.5Very high6 Ų612.5 Ų12.53%0.0267%0.065CC..Hα-helixtrans-58.7-41.4176.9-177.2176.5175.1-178.60112.4L248 I347 D348 Q350 L351 S373 L374 I375 K381L248-K377 HydrophobicContact CD1-CG 3.87Å; I347-K377 HydrophobicContact CD1-CB 4.33Å; I347-K377 HydrophobicContact CD1-CD 4.35Å; I347-K377 HydrophobicContact CD1-CG 4.41Å; D348-K377 WeakPolarHBondContact O-CE 3.42Å; D348-K377 PolarHBondContact O-NZ 3.23Å; D348-K377 IonicContact OD1-NZ 3.11Å; D348-K377 PolarHBondContact OD1-NZ 3.33Å; Q350-K377 PolarHBondContact O-NZ 3.39Å; L351-K377 HydrophobicContact CD2-CD 4.24Å; S373-K377 VanDerWaalsContact O-CB 3.22Å; S373-K377 WeakPolarHBondContact O-CB 3.33Å; S373-K377 PolarHBondContact O-N 3.22Å; L374-K377 PolarHBondContact O-N 3.29Å; I375-K377 PolarHBondContact O-N 2.85Å; K377-K381 VanDerWaalsContact O-CB 3.28Å; K377-K381 WeakPolarHBondContact O-CB 3.36Å; K377-K381 PolarHBondContact O-N 3.37Å
378A97.6Very high94Very high0 Ų06.4 Ų6.40%04%0.038CC..Hα-helixtrans-62.1-44.217500000111.9V334 V345 I347 L374 I375 E376 K381 V382V334-A378 HydrophobicContact CB-CB 3.65Å; V334-A378 HydrophobicContact CG1-CB 4.18Å; V334-A378 HydrophobicContact CG2-CB 3.61Å; V345-A378 HydrophobicContact CB-CB 4.31Å; V345-A378 HydrophobicContact CG1-CB 3.82Å; I347-A378 HydrophobicContact CD1-CB 4.33Å; I347-A378 HydrophobicContact CG2-CB 4.28Å; L374-A378 PolarHBondContact O-N 2.8Å; I375-A378 PolarHBondContact O-N 3.33Å; E376-A378 VanDerWaalsContact C-N 3.32Å; E376-A378 PolarHBondContact O-N 3.07Å; A378-K381 PolarHBondContact O-N 2.85Å; A378-V382 PolarHBondContact O-N 2.66Å
379Y96.8Very high93.9Very high0 Ų09.5 Ų9.50%06%0.058CC..Hα-helixtrans-67.1-46.9178.4-168.2-123.2000112.4D289 F292 L336 I375 E376 K381 V382 M383 D396 A399D289-Y379 WeakPolarHBondContact OD2-CE1 3.34Å; F292-Y379 HydrophobicContact CB-CD1 4.03Å; F292-Y379 HydrophobicContact CB-CE1 3.95Å; F292-Y379 AromaticContact CD1-CD1 3.98Å; F292-Y379 HydrophobicContact CD1-CD1 3.98Å; F292-Y379 HydrophobicContact CD1-CG 4.49Å; F292-Y379 AromaticContact CD2-CD1 3.15Å; F292-Y379 HydrophobicContact CD2-CD1 3.15Å; F292-Y379 HydrophobicContact CD2-CD2 4.17Å; F292-Y379 AromaticContact CD2-CE1 3.23Å; F292-Y379 HydrophobicContact CD2-CE1 3.23Å; F292-Y379 HydrophobicContact CD2-CE2 4.24Å; F292-Y379 AromaticContact CD2-CG 3.64Å; F292-Y379 HydrophobicContact CD2-CG 3.64Å; F292-Y379 AromaticContact CD2-CZ 3.78Å; F292-Y379 HydrophobicContact CE1-CD1 4.22Å; F292-Y379 HydrophobicContact CE1-CG 4.28Å; F292-Y379 AromaticContact CE2-CD1 3.46Å; F292-Y379 HydrophobicContact CE2-CD1 3.46Å; F292-Y379 VanDerWaalsContact CE2-CD1 3.46Å; F292-Y379 AromaticContact CE2-CD2 3.76Å; F292-Y379 HydrophobicContact CE2-CD2 3.76Å; F292-Y379 AromaticContact CE2-CE1 3.85Å; F292-Y379 HydrophobicContact CE2-CE1 3.85Å; F292-Y379 HydrophobicContact CE2-CE2 4.13Å; F292-Y379 AromaticContact CE2-CG 3.38Å; F292-Y379 HydrophobicContact CE2-CG 3.38Å; F292-Y379 AromaticContact CG-CD1 3.43Å; F292-Y379 HydrophobicContact CG-CD1 3.43Å; F292-Y379 VanDerWaalsContact CG-CD1 3.43Å; F292-Y379 AromaticContact CG-CE1 3.71Å; F292-Y379 HydrophobicContact CG-CE1 3.71Å; F292-Y379 HydrophobicContact CG-CG 4.19Å; F292-Y379 AromaticContact CZ-CD1 3.98Å; F292-Y379 HydrophobicContact CZ-CD1 3.98Å; F292-Y379 HydrophobicContact CZ-CD2 4.36Å; F292-Y379 AromaticContact CZ-CG 3.73Å; F292-Y379 HydrophobicContact CZ-CG 3.73Å; L336-Y379 HydrophobicContact CD1-CD2 4.14Å; I375-Y379 PolarHBondContact O-N 3.4Å; E376-Y379 PolarHBondContact O-N 2.91Å; E376-Y379 VanDerWaalsContact O-N 3.15Å; Y379-K381 VanDerWaalsContact C-N 3.25Å; Y379-K381 PolarHBondContact O-N 2.63Å; Y379-V382 WeakPolarHBondContact O-CB 3.32Å; Y379-V382 PolarHBondContact O-N 2.85Å; Y379-V382 VanDerWaalsContact O-N 3.08Å; Y379-M383 HydrophobicContact CD1-CG 4.48Å; Y379-M383 HydrophobicContact CD2-CE 4.28Å; Y379-M383 HydrophobicContact CE1-CE 4.32Å; Y379-M383 HydrophobicContact CE1-CG 4.33Å; Y379-M383 HydrophobicContact CE2-CE 3.41Å; Y379-M383 VanDerWaalsContact CE2-CE 3.41Å; Y379-M383 HydrophobicContact CE2-CG 4.43Å; Y379-M383 VanDerWaalsContact CZ-CE 3.45Å; Y379-M383 WeakPolarHBondContact O-CG 3.26Å; Y379-M383 PolarHBondContact O-N 2.75Å; Y379-M383 WeakPolarHBondContact OH-CE 3.24Å; Y379-D396 WeakPolarHBondContact CE1-OD1 3.36Å; Y379-D396 PolarHBondContact OH-OD1 2.84Å; Y379-A399 HydrophobicContact CD2-CB 4.44Å; Y379-A399 HydrophobicContact CE2-CB 3.64Å
380M95.4Very high93.7Very high0 Ų010.2 Ų10.20%07%0.067CC..Hα-helixtrans-62.1-31.9176.1-65.9-67104.800112.2L248 V287 D289 E376 M383 G384 G385 Y386 F388L248-M380 HydrophobicContact CD1-CB 4.11Å; V287-M380 HydrophobicContact CG1-SD 4.44Å; D289-M380 HydrophobicContact CB-CE 4Å; E376-M380 HydrophobicContact CG-CG 4Å; E376-M380 WeakPolarHBondContact O-CB 3.12Å; E376-M380 VanDerWaalsContact O-CG 3.27Å; E376-M380 WeakPolarHBondContact O-CG 3.46Å; E376-M380 PolarHBondContact O-N 3.41Å; M380-M383 CarbonylContact O-C 3.54Å; M380-M383 PolarHBondContact O-N 3.42Å; M380-G384 PolarHBondContact O-N 2.9Å; M380-G385 PolarHBondContact O-N 3.33Å; M380-Y386 HydrophobicContact CB-CD1 4.05Å; M380-Y386 HydrophobicContact CB-CE1 4.18Å; M380-Y386 HydrophobicContact CB-CG 4.39Å; M380-Y386 HydrophobicContact CG-CD1 3.63Å; M380-Y386 HydrophobicContact CG-CE1 3.81Å; M380-Y386 HydrophobicContact CG-CG 4.37Å; M380-Y386 HydrophobicContact SD-CD1 4.3Å; M380-F388 HydrophobicContact CE-CD1 3.89Å; M380-F388 HydrophobicContact SD-CB 4.21Å; M380-F388 HydrophobicContact SD-CD1 4.46Å
381K96.2Very high93.4Very high10 Ų1011.2 Ų11.24%0.0438%0.075CC..Hα-helixtrans-63.7-44171.9-174.7-178.4170.4173.20112I221 Y223 D243 L248 V345 I346 I347 K377 A378 Y379 G384I221-K381 HydrophobicContact CD1-CG 4.39Å; Y223-K381 WeakPolarHBondContact OH-CG 3.13Å; Y223-K381 PolarHBondContact OH-O 3.35Å; Y223-K381 VanDerWaalsContact OH-O 3.06Å; D243-K381 IonicContact OD1-NZ 2.74Å; D243-K381 PolarHBondContact OD1-NZ 2.9Å; D243-K381 WeakPolarHBondContact OD2-CE 3.27Å; D243-K381 IonicContact OD2-NZ 2.84Å; D243-K381 PolarHBondContact OD2-NZ 2.62Å; L248-K381 HydrophobicContact CD1-CB 4.12Å; L248-K381 HydrophobicContact CD2-CB 3.78Å; L248-K381 HydrophobicContact CD2-CG 3.8Å; V345-K381 HydrophobicContact CG1-CD 4.45Å; I346-K381 PolarHBondContact O-NZ 3.42Å; I347-K381 HydrophobicContact CG2-CD 3.87Å; K377-K381 VanDerWaalsContact O-CB 3.28Å; K377-K381 WeakPolarHBondContact O-CB 3.36Å; K377-K381 PolarHBondContact O-N 3.37Å; A378-K381 PolarHBondContact O-N 2.85Å; Y379-K381 VanDerWaalsContact C-N 3.25Å; Y379-K381 PolarHBondContact O-N 2.63Å; K381-G384 PolarHBondContact O-N 3.4Å
382V95.5Very high93.3Very high2 Ų213 Ų131%0.0128%0.084CC..Hα-helixtrans-63.4-43.3174.6172.40000110.8I218 N219 Y223 L338 V345 A378 Y379 G384I218-V382 HydrophobicContact CD1-CG1 4.23Å; I218-V382 HydrophobicContact CG2-CG1 4.32Å; N219-V382 PolarHBondContact ND2-O 3.45Å; Y223-V382 HydrophobicContact CD1-CG2 4.25Å; Y223-V382 HydrophobicContact CE1-CG2 3.88Å; Y223-V382 HydrophobicContact CE2-CG2 4.26Å; L338-V382 HydrophobicContact CD1-CB 4.39Å; L338-V382 HydrophobicContact CD1-CG1 3.77Å; L338-V382 HydrophobicContact CD1-CG2 3.78Å; L338-V382 HydrophobicContact CD2-CG1 4.08Å; V345-V382 HydrophobicContact CG1-CG2 4.11Å; V345-V382 HydrophobicContact CG2-CG2 3.65Å; A378-V382 PolarHBondContact O-N 2.66Å; Y379-V382 WeakPolarHBondContact O-CB 3.32Å; Y379-V382 PolarHBondContact O-N 2.85Å; Y379-V382 VanDerWaalsContact O-N 3.08Å; V382-G384 PolarHBondContact O-N 3.31Å
383M93.6Very high93.2Very high10 Ų1013 Ų135%0.0498%0.084CC..THydrogen-bonded Turntrans-78.26.4179.6-60.7-50.5-178.800114.8Y379 M380 F388 K596 F599Y379-M383 HydrophobicContact CD1-CG 4.48Å; Y379-M383 HydrophobicContact CD2-CE 4.28Å; Y379-M383 HydrophobicContact CE1-CE 4.32Å; Y379-M383 HydrophobicContact CE1-CG 4.33Å; Y379-M383 HydrophobicContact CE2-CE 3.41Å; Y379-M383 VanDerWaalsContact CE2-CE 3.41Å; Y379-M383 HydrophobicContact CE2-CG 4.43Å; Y379-M383 VanDerWaalsContact CZ-CE 3.45Å; Y379-M383 WeakPolarHBondContact O-CG 3.26Å; Y379-M383 PolarHBondContact O-N 2.75Å; Y379-M383 WeakPolarHBondContact OH-CE 3.24Å; M380-M383 CarbonylContact O-C 3.54Å; M380-M383 PolarHBondContact O-N 3.42Å; M383-F388 HydrophobicContact CB-CB 4.22Å; M383-F388 HydrophobicContact CB-CD1 4.2Å; M383-F388 HydrophobicContact CB-CD2 3.62Å; M383-F388 HydrophobicContact CB-CE1 4.46Å; M383-F388 HydrophobicContact CB-CE2 3.96Å; M383-F388 HydrophobicContact CB-CG 3.76Å; M383-F388 HydrophobicContact CB-CZ 4.36Å; M383-F388 HydrophobicContact CG-CD1 4.45Å; M383-F388 HydrophobicContact CG-CD2 4.28Å; M383-F388 HydrophobicContact CG-CE1 4.28Å; M383-F388 HydrophobicContact CG-CE2 4.13Å; M383-F388 HydrophobicContact CG-CG 4.45Å; M383-F388 HydrophobicContact CG-CZ 4.13Å; M383-F388 HydrophobicContact SD-CE2 4.27Å; M383-F388 HydrophobicContact SD-CZ 4.38Å; M383-K596 WeakPolarHBondContact O-CB 3.36Å; M383-F599 HydrophobicContact CE-CE2 4.22Å; M383-F599 HydrophobicContact CE-CZ 3.69Å; M383-F599 HydrophobicContact SD-CE2 3.55Å; M383-F599 VanDerWaalsContact SD-CE2 3.55Å; M383-F599 HydrophobicContact SD-CZ 3.64Å
384G92.4Very high93.1Very high16 Ų1613.2 Ų13.217%0.1659%0.085CC..THydrogen-bonded Turntrans86.112168.100000116N219 M380 K381 V382 K596N219-G384 PolarHBondContact ND2-N 3.42Å; M380-G384 PolarHBondContact O-N 2.9Å; K381-G384 PolarHBondContact O-N 3.4Å; V382-G384 PolarHBondContact O-N 3.31Å; G384-K596 PolarHBondContact O-NZ 2.86Å
385G93.6Very high93Very high0 Ų013.6 Ų13.60%09%0.087CC..SBendtrans142.9169.5174.800000113.5M380 D387 F388M380-G385 PolarHBondContact O-N 3.33Å; G385-D387 WeakPolarHBondContact CA-OD1 3.31Å; G385-D387 PolarHBondContact O-N 3.38Å; G385-F388 WeakPolarHBondContact O-CB 3.45Å; G385-F388 PolarHBondContact O-N 3.49Å
386Y92.6Very high93Very high0 Ų013.6 Ų13.60%09%0.087CC..THydrogen-bonded Turntrans-72.3-6.9164.9-69.9-77.9000112.2L248 P249 L250 S251 W261 V287 P352 C361 E376 M380 F388L248-Y386 HydrophobicContact CB-CD2 3.91Å; L248-Y386 HydrophobicContact CB-CE2 4.11Å; L248-Y386 HydrophobicContact CD1-CD2 4.15Å; L248-Y386 HydrophobicContact CD1-CE2 3.83Å; L248-Y386 HydrophobicContact CG-CE2 4.44Å; P249-Y386 PolarHBondContact O-N 2.89Å; L250-Y386 HydrophobicContact CD2-CD2 4.02Å; S251-Y386 VanDerWaalsContact CB-O 3.31Å; S251-Y386 WeakPolarHBondContact CB-O 3.41Å; W261-Y386 HydrophobicContact CH2-CD2 4.49Å; W261-Y386 HydrophobicContact CH2-CE2 4.08Å; V287-Y386 HydrophobicContact CG2-CD1 4.25Å; P352-Y386 HydrophobicContact CG-CE2 4.31Å; C361-Y386 HydrophobicContact CB-CE1 4.06Å; E376-Y386 HydrophobicContact CG-CE1 4.37Å; E376-Y386 WeakPolarHBondContact OE2-CE1 3.46Å; M380-Y386 HydrophobicContact CB-CD1 4.05Å; M380-Y386 HydrophobicContact CB-CE1 4.18Å; M380-Y386 HydrophobicContact CB-CG 4.39Å; M380-Y386 HydrophobicContact CG-CD1 3.63Å; M380-Y386 HydrophobicContact CG-CE1 3.81Å; M380-Y386 HydrophobicContact CG-CG 4.37Å; M380-Y386 HydrophobicContact SD-CD1 4.3Å; Y386-F388 PolarHBondContact O-N 3.37Å
387D88.5Confident93Very high55 Ų5513.6 Ų13.629%0.2949%0.087SC..THydrogen-bonded Turntrans-78.53.5169.372.7-28.6000113.5P249 G385 K596P249-D387 PolarHBondContact O-N 2.71Å; G385-D387 WeakPolarHBondContact CA-OD1 3.31Å; G385-D387 PolarHBondContact O-N 3.38Å; D387-K596 IonicContact OD1-NZ 3.21Å; D387-K596 PolarHBondContact OD1-NZ 2.8Å; D387-K596 IonicContact OD2-NZ 3.33Å; D387-K596 PolarHBondContact OD2-NZ 3.01Å
388F89.6Confident93Very high0 Ų013.5 Ų13.50%09%0.087CC..  trans-54131.3170.9179.9-116.4000111.7S288 D289 M380 M383 G385 Y386 G390 F599S288-F388 WeakPolarHBondContact CB-O 3.44Å; S288-F388 PolarHBondContact OG-O 3.03Å; D289-F388 HydrophobicContact CB-CD1 4.41Å; D289-F388 WeakPolarHBondContact OD2-CE1 3.31Å; M380-F388 HydrophobicContact CE-CD1 3.89Å; M380-F388 HydrophobicContact SD-CB 4.21Å; M380-F388 HydrophobicContact SD-CD1 4.46Å; M383-F388 HydrophobicContact CB-CB 4.22Å; M383-F388 HydrophobicContact CB-CD1 4.2Å; M383-F388 HydrophobicContact CB-CD2 3.62Å; M383-F388 HydrophobicContact CB-CE1 4.46Å; M383-F388 HydrophobicContact CB-CE2 3.96Å; M383-F388 HydrophobicContact CB-CG 3.76Å; M383-F388 HydrophobicContact CB-CZ 4.36Å; M383-F388 HydrophobicContact CG-CD1 4.45Å; M383-F388 HydrophobicContact CG-CD2 4.28Å; M383-F388 HydrophobicContact CG-CE1 4.28Å; M383-F388 HydrophobicContact CG-CE2 4.13Å; M383-F388 HydrophobicContact CG-CG 4.45Å; M383-F388 HydrophobicContact CG-CZ 4.13Å; M383-F388 HydrophobicContact SD-CE2 4.27Å; M383-F388 HydrophobicContact SD-CZ 4.38Å; G385-F388 WeakPolarHBondContact O-CB 3.45Å; G385-F388 PolarHBondContact O-N 3.49Å; Y386-F388 PolarHBondContact O-N 3.37Å; F388-G390 VanDerWaalsContact C-N 3.26Å; F388-G390 VanDerWaalsContact CE1-C 3.41Å; F388-G390 VanDerWaalsContact CE1-CA 3.49Å; F388-G390 WeakPolarHBondContact CZ-O 3.41Å; F388-G390 PolarHBondContact O-N 3.34Å; F388-F599 HydrophobicContact CE2-CB 4.02Å; F388-F599 AromaticContact CE2-CD1 3.99Å; F388-F599 HydrophobicContact CE2-CD1 3.99Å; F388-F599 AromaticContact CE2-CD2 3.67Å; F388-F599 HydrophobicContact CE2-CD2 3.67Å; F388-F599 HydrophobicContact CE2-CE1 4.28Å; F388-F599 AromaticContact CE2-CE2 3.97Å; F388-F599 HydrophobicContact CE2-CE2 3.97Å; F388-F599 AromaticContact CE2-CG 3.66Å; F388-F599 HydrophobicContact CE2-CG 3.66Å; F388-F599 HydrophobicContact CE2-CZ 4.26Å; F388-F599 AromaticContact CZ-CD1 3.87Å; F388-F599 HydrophobicContact CZ-CD1 3.87Å; F388-F599 HydrophobicContact CZ-CD2 4.3Å; F388-F599 AromaticContact CZ-CE1 3.95Å; F388-F599 HydrophobicContact CZ-CE1 3.95Å; F388-F599 HydrophobicContact CZ-CE2 4.35Å; F388-F599 HydrophobicContact CZ-CG 4.04Å; F388-F599 HydrophobicContact CZ-CZ 4.18Å
389P82.7Confident93Very high82 Ų8213.8 Ų13.853%0.5329%0.089SC..  trans-68.6-19.7-175.426.1-35.9000114.6
390G85.4Confident93Very high20 Ų2013.9 Ų13.921%0.2069%0.089CC..  trans112.1170.1-171.700000112.4F388F388-G390 VanDerWaalsContact C-N 3.26Å; F388-G390 VanDerWaalsContact CE1-C 3.41Å; F388-G390 VanDerWaalsContact CE1-CA 3.49Å; F388-G390 WeakPolarHBondContact CZ-O 3.41Å; F388-G390 PolarHBondContact O-N 3.34Å
391S88.4Confident93.1Very high31 Ų3115.2 Ų15.222%0.21710%0.098CC..  trans-135.2-140.8-166.760.90000111.1D289 S291 D396D289-S391 PolarHBondContact OD1-OG 2.79Å; D289-S391 PolarHBondContact OD2-OG 2.97Å; S291-S391 PolarHBondContact OG-OG 3.43Å; S291-S391 VanDerWaalsContact OG-OG 3.06Å; S391-D396 WeakPolarHBondContact CB-OD1 3.33Å; S391-D396 PolarHBondContact OG-OD1 2.86Å; S391-D396 PolarHBondContact OG-OD2 3.35Å
392N90.8Very high93.1Very high36 Ų3615.4 Ų15.419%0.19310%0.102CC..  trans-152.7156.8161.56685.2000109.2S291 N394 I395 D396 Y535S291-N392 WeakPolarHBondContact OG-CA 3.5Å; S291-N392 PolarHBondContact OG-N 3.12Å; N392-N394 PolarHBondContact O-N 3.4Å; N392-N394 WeakPolarHBondContact OD1-CB 3.42Å; N392-N394 PolarHBondContact OD1-N 2.84Å; N392-I395 WeakPolarHBondContact ND2-CD1 3.46Å; N392-I395 WeakPolarHBondContact O-CB 3.44Å; N392-I395 PolarHBondContact O-N 2.59Å; N392-D396 PolarHBondContact O-N 2.9Å; N392-Y535 HydrophobicContact CB-CE1 4.36Å; N392-Y535 HydrophobicContact CB-CE2 4.21Å
393S93.8Very high93.2Very high0 Ų016 Ų160%010%0.104CC..Hα-helixtrans-60.3-19.5-167-370000115.4L397 T438S393-L397 WeakPolarHBondContact O-CB 3.44Å; S393-L397 VanDerWaalsContact O-CG 3.27Å; S393-L397 WeakPolarHBondContact O-CG 3.47Å; S393-L397 PolarHBondContact O-N 3.47Å; S393-T438 WeakPolarHBondContact CB-OG1 3.43Å; S393-T438 PolarHBondContact OG-OG1 3.47Å
394N93.8Very high93.4Very high7 Ų715.5 Ų15.54%0.03710%0.102CC..Hα-helixtrans-70.7-34.8173.7-900.3000112.5N392 H398 P405 E406 Y535 L536N392-N394 PolarHBondContact O-N 3.4Å; N392-N394 WeakPolarHBondContact OD1-CB 3.42Å; N392-N394 PolarHBondContact OD1-N 2.84Å; N394-H398 WeakPolarHBondContact O-CB 3.37Å; N394-H398 PolarHBondContact O-N 2.88Å; N394-P405 HydrophobicContact CB-CB 3.67Å; N394-E406 PolarHBondContact ND2-O 2.89Å; N394-E406 PolarHBondContact OD1-O 3.4Å; N394-E406 VanDerWaalsContact OD1-O 3.13Å; N394-Y535 HydrophobicContact CB-CD1 4.11Å; N394-Y535 WeakPolarHBondContact OD1-CB 3.27Å; N394-L536 PolarHBondContact OD1-O 2.83Å
395I94.9Very high93.7Very high10 Ų1014.9 Ų14.95%0.05110%0.095CC..Hα-helixtrans-71.7-46.7174.2-51.2179.5000108.4N392 H398 A399 F599 P636N392-I395 WeakPolarHBondContact ND2-CD1 3.46Å; N392-I395 WeakPolarHBondContact O-CB 3.44Å; N392-I395 PolarHBondContact O-N 2.59Å; I395-H398 PolarHBondContact O-N 2.54Å; I395-A399 VanDerWaalsContact O-CB 3.31Å; I395-A399 WeakPolarHBondContact O-CB 3.32Å; I395-A399 PolarHBondContact O-N 2.92Å; I395-F599 HydrophobicContact CD1-CE1 3.88Å; I395-F599 HydrophobicContact CG2-CE1 4.31Å; I395-P636 HydrophobicContact CD1-CG 3.75Å; I395-P636 HydrophobicContact CG1-CG 3.8Å; I395-P636 HydrophobicContact CG2-CG 4.36Å
396D96.5Very high93.7Very high0 Ų016.8 Ų16.80%010%0.104CC..Hα-helixtrans-68.6-47.7-174.3-52.7-37.9000113S291 F292 S295 Y379 S391 N392 H398 A399 L400S291-D396 WeakPolarHBondContact CB-OD2 3.14Å; S291-D396 PolarHBondContact OG-OD2 2.82Å; F292-D396 HydrophobicContact CB-CB 4.4Å; F292-D396 HydrophobicContact CD2-CB 3.95Å; F292-D396 PolarHBondContact N-OD2 3.32Å; F292-D396 VanDerWaalsContact N-OD2 3.15Å; S295-D396 WeakPolarHBondContact OG-CB 3.19Å; Y379-D396 WeakPolarHBondContact CE1-OD1 3.36Å; Y379-D396 PolarHBondContact OH-OD1 2.84Å; S391-D396 WeakPolarHBondContact CB-OD1 3.33Å; S391-D396 PolarHBondContact OG-OD1 2.86Å; S391-D396 PolarHBondContact OG-OD2 3.35Å; N392-D396 PolarHBondContact O-N 2.9Å; D396-H398 VanDerWaalsContact C-N 3.32Å; D396-H398 PolarHBondContact O-N 2.64Å; D396-A399 PolarHBondContact O-N 3.1Å; D396-L400 WeakPolarHBondContact O-CB 3.47Å; D396-L400 PolarHBondContact O-N 3.49Å
397L97.6Very high93.7Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-64.6-38.3175.8-71.5169.2000111.2S295 I298 S393 L400 T401 L436 T438S295-L397 WeakPolarHBondContact OG-CG 3.47Å; I298-L397 HydrophobicContact CG2-CD2 3.73Å; S393-L397 WeakPolarHBondContact O-CB 3.44Å; S393-L397 VanDerWaalsContact O-CG 3.27Å; S393-L397 WeakPolarHBondContact O-CG 3.47Å; S393-L397 PolarHBondContact O-N 3.47Å; L397-L400 PolarHBondContact O-N 2.94Å; L397-T401 WeakPolarHBondContact O-CB 3.2Å; L397-T401 PolarHBondContact O-N 3.05Å; L397-T401 PolarHBondContact O-OG1 2.64Å; L397-L436 HydrophobicContact CD1-CB 4.24Å; L397-L436 HydrophobicContact CD2-CB 4.33Å; L397-L436 HydrophobicContact CD2-CD1 3.89Å; L397-T438 HydrophobicContact CD1-CG2 4.4Å
398H97.5Very high93.9Very high5 Ų521.7 Ų21.72%0.02312%0.12CC..Hα-helixtrans-64.8-45.1175.4-172.766.6000110.8H337 N394 I395 D396 L400 G402 W403 P405 H637H337-H398 WeakPolarHBondContact CB-O 3.47Å; H337-H398 AromaticContact CD2-CE1 3.66Å; H337-H398 AromaticContact CD2-NE2 3.4Å; H337-H398 PolarHBondContact CD2-NE2 3.22Å; H337-H398 AromaticContact NE2-CE1 3.87Å; H337-H398 AromaticContact NE2-NE2 3.77Å; N394-H398 WeakPolarHBondContact O-CB 3.37Å; N394-H398 PolarHBondContact O-N 2.88Å; I395-H398 PolarHBondContact O-N 2.54Å; D396-H398 VanDerWaalsContact C-N 3.32Å; D396-H398 PolarHBondContact O-N 2.64Å; H398-L400 PolarHBondContact O-N 3.38Å; H398-G402 VanDerWaalsContact O-CA 3.27Å; H398-G402 WeakPolarHBondContact O-CA 3.1Å; H398-G402 PolarHBondContact O-N 2.95Å; H398-W403 PolarHBondContact ND1-O 2.9Å; H398-P405 HydrophobicContact CB-CG 4.38Å; H398-H637 AromaticContact CD2-CE1 3.2Å; H398-H637 PolarHBondContact CD2-CE1 3.24Å; H398-H637 AromaticContact CD2-ND1 3.84Å; H398-H637 AromaticContact CD2-NE2 3.38Å; H398-H637 PolarHBondContact CD2-NE2 3Å; H398-H637 AromaticContact NE2-CE1 3.69Å
399A97.1Very high93.9Very high5 Ų522.9 Ų22.94%0.04113%0.13CC..Hα-helixtrans-64.5-37.2176.900000113.5L336 H337 L338 Y379 I395 D396L336-A399 CarbonylContact C-O 3.56Å; L336-A399 WeakPolarHBondContact CA-O 3.26Å; H337-A399 PolarHBondContact N-O 2.9Å; H337-A399 WeakPolarHBondContact O-CA 3.49Å; L338-A399 HydrophobicContact CD2-CB 4.14Å; Y379-A399 HydrophobicContact CD2-CB 4.44Å; Y379-A399 HydrophobicContact CE2-CB 3.64Å; I395-A399 VanDerWaalsContact O-CB 3.31Å; I395-A399 WeakPolarHBondContact O-CB 3.32Å; I395-A399 PolarHBondContact O-N 2.92Å; D396-A399 PolarHBondContact O-N 3.1Å
400L96.9Very high94Very high2 Ų219.2 Ų19.21%0.0111%0.105CC..Hα-helixtrans-76-36.4-179.4-175.766.8000113F292 L296 S299 I311 I314 I375 D396 L397 H398F292-L400 HydrophobicContact CZ-CD1 4.34Å; L296-L400 HydrophobicContact CD2-CD1 3.86Å; L296-L400 HydrophobicContact CD2-CD2 3.95Å; S299-L400 WeakPolarHBondContact OG-CD2 3.49Å; I311-L400 HydrophobicContact CD1-CD1 4.21Å; I311-L400 HydrophobicContact CD1-CD2 4.11Å; I311-L400 HydrophobicContact CD1-CG 4.41Å; I314-L400 HydrophobicContact CD1-CD1 3.58Å; I375-L400 HydrophobicContact CG2-CD1 3.96Å; D396-L400 WeakPolarHBondContact O-CB 3.47Å; D396-L400 PolarHBondContact O-N 3.49Å; L397-L400 PolarHBondContact O-N 2.94Å; H398-L400 PolarHBondContact O-N 3.38Å
401T96.9Very high93.4Very high29 Ų2922.3 Ų22.318%0.17811%0.114CC..Hα-helixtrans-126-16.7-166.569.80000115.5L310 L397 W403 L436L310-T401 HydrophobicContact CD1-CG2 4.43Å; L397-T401 WeakPolarHBondContact O-CB 3.2Å; L397-T401 PolarHBondContact O-N 3.05Å; L397-T401 PolarHBondContact O-OG1 2.64Å; T401-W403 PolarHBondContact O-N 2.89Å; T401-W403 VanDerWaalsContact OG1-CB 3.28Å; T401-W403 WeakPolarHBondContact OG1-CB 3.39Å; T401-W403 PolarHBondContact OG1-N 3.11Å; T401-L436 HydrophobicContact CG2-CD1 4.1Å
402G96.3Very high91.7Very high13 Ų1326.2 Ų26.213%0.13414%0.142CC..  trans70.56.7-169.900000115H398H398-G402 VanDerWaalsContact O-CA 3.27Å; H398-G402 WeakPolarHBondContact O-CA 3.1Å; H398-G402 PolarHBondContact O-N 2.95Å
403W98Very high90Very high15 Ų1531.3 Ų31.36%0.05717%0.169CC..  trans-73.1160.3179.6-7430.8000112.2Y302 L310 H398 T401 P405 L436 S537 W538 N539Y302-W403 HydrophobicContact CD2-CH2 4.34Å; Y302-W403 HydrophobicContact CE1-CH2 4.07Å; Y302-W403 HydrophobicContact CE1-CZ2 4.23Å; Y302-W403 AromaticContact CE2-CH2 3.61Å; Y302-W403 HydrophobicContact CE2-CH2 3.61Å; Y302-W403 HydrophobicContact CE2-CZ3 4.31Å; Y302-W403 AromaticContact CZ-CH2 3.49Å; Y302-W403 VanDerWaalsContact CZ-CH2 3.49Å; L310-W403 HydrophobicContact CD1-CZ2 4.23Å; L310-W403 HydrophobicContact CD2-CZ2 4.12Å; H398-W403 PolarHBondContact ND1-O 2.9Å; T401-W403 PolarHBondContact O-N 2.89Å; T401-W403 VanDerWaalsContact OG1-CB 3.28Å; T401-W403 WeakPolarHBondContact OG1-CB 3.39Å; T401-W403 PolarHBondContact OG1-N 3.11Å; W403-P405 WeakPolarHBondContact O-CD 3.16Å; W403-L436 HydrophobicContact CD2-CD1 4.4Å; W403-L436 HydrophobicContact CE3-CD1 4.04Å; W403-L436 HydrophobicContact CE3-CG 3.79Å; W403-L436 HydrophobicContact CH2-CG 4.4Å; W403-L436 HydrophobicContact CZ3-CD1 4.3Å; W403-L436 HydrophobicContact CZ3-CD2 4.25Å; W403-L436 HydrophobicContact CZ3-CG 3.69Å; W403-S537 WeakPolarHBondContact CB-OG 3.29Å; W403-S537 PolarHBondContact O-OG 3.12Å; W403-W538 WeakPolarHBondContact CB-O 3.34Å; W403-N539 HydrophobicContact CD2-CB 4.26Å; W403-N539 HydrophobicContact CE3-CB 3.99Å; W403-N539 VanDerWaalsContact CE3-N 3.3Å; W403-N539 HydrophobicContact CH2-CB 3.57Å; W403-N539 HydrophobicContact CZ2-CB 3.88Å; W403-N539 HydrophobicContact CZ3-CB 3.63Å
404I98.3Very high88.2Confident0 Ų033.1 Ų33.10%018%0.182CC..EExtended strand (participates in β ladder)trans-85.1115-165.4-42.9173.7000110.7S537 W538 P540 F543 W586 L588 L639 Y672I404-S537 CarbonylContact O-C 3.54Å; I404-S537 WeakPolarHBondContact O-CA 3.37Å; I404-W538 HydrophobicContact CB-CB 4.22Å; I404-W538 PolarHBondContact N-O 3.15Å; I404-W538 PolarHBondContact O-N 3.13Å; I404-P540 HydrophobicContact CG1-CB 4.43Å; I404-F543 HydrophobicContact CD1-CD2 3.96Å; I404-F543 HydrophobicContact CD1-CE2 3.66Å; I404-W586 HydrophobicContact CD1-CE3 4.19Å; I404-W586 HydrophobicContact CG2-CE3 4.34Å; I404-L588 HydrophobicContact CG2-CD2 4.35Å; I404-L639 HydrophobicContact CG2-CD1 3.62Å; I404-L639 HydrophobicContact CG2-CD2 4.11Å; I404-L639 HydrophobicContact CG2-CG 4.49Å; I404-Y672 HydrophobicContact CD1-CD1 3.57Å; I404-Y672 HydrophobicContact CD1-CD2 3.86Å; I404-Y672 HydrophobicContact CD1-CE1 3.59Å; I404-Y672 HydrophobicContact CD1-CE2 3.87Å; I404-Y672 HydrophobicContact CD1-CG 3.7Å; I404-Y672 HydrophobicContact CG1-CD1 4.35Å; I404-Y672 HydrophobicContact CG1-CD2 4.5Å; I404-Y672 HydrophobicContact CG1-CE1 3.84Å; I404-Y672 HydrophobicContact CG1-CE2 4.01Å; I404-Y672 HydrophobicContact CG2-CE2 4.28Å
405P97.6Very high86.4Confident3 Ų342.5 Ų42.52%0.01923%0.225CC..EExtended strand (participates in β ladder)trans-78.1140.9-176.130.2-34.7000113.8N394 H398 W403 L536 L588 H637 L639N394-P405 HydrophobicContact CB-CB 3.67Å; H398-P405 HydrophobicContact CB-CG 4.38Å; W403-P405 WeakPolarHBondContact O-CD 3.16Å; P405-L536 CarbonylContact C-O 3.44Å; P405-L536 WeakPolarHBondContact CA-O 3.33Å; P405-L588 HydrophobicContact CG-CD1 3.94Å; P405-H637 HydrophobicContact CB-CB 4.45Å; P405-H637 HydrophobicContact CG-CB 3.56Å; P405-L639 WeakPolarHBondContact O-CB 3.32Å; P405-L639 WeakPolarHBondContact O-CD2 3.29Å
406E95.3Very high85.2Confident40 Ų4048.2 Ų48.219%0.18726%0.261CS..EExtended strand (participates in β ladder)trans-140.1144.6170.7173.2174-135.600110.6N394 L536 W538 L639 K641N394-E406 PolarHBondContact ND2-O 2.89Å; N394-E406 PolarHBondContact OD1-O 3.4Å; N394-E406 VanDerWaalsContact OD1-O 3.13Å; E406-L536 HydrophobicContact CB-CB 4.27Å; E406-L536 PolarHBondContact N-O 3.22Å; E406-L536 PolarHBondContact O-N 2.86Å; E406-W538 PolarHBondContact OE2-NE1 2.95Å; E406-L639 HydrophobicContact CB-CD2 3.98Å; E406-K641 VanDerWaalsContact OE1-CE 3.24Å; E406-K641 WeakPolarHBondContact OE1-CE 3.47Å; E406-K641 IonicContact OE1-NZ 3.89Å; E406-K641 PolarHBondContact OE1-NZ 2.62Å; E406-K641 IonicContact OE2-NZ 3.64Å; E406-K641 PolarHBondContact OE2-NZ 2.86Å
407R92.4Very high84.7Confident130 Ų13049.8 Ų49.849%0.49127%0.268SS..EExtended strand (participates in β ladder)trans-115.9122.2177.9-176.7-179.6-179.9-90.50.5110V533 Y535R407-V533 HydrophobicContact CG-CG1 3.51Å; R407-V533 VanDerWaalsContact NH2-CG2 3.27Å; R407-Y535 HydrophobicContact CB-CD1 4.31Å; R407-Y535 HydrophobicContact CB-CE1 4.29Å; R407-Y535 HydrophobicContact CG-CD1 4.11Å; R407-Y535 HydrophobicContact CG-CE1 3.75Å
408I91.3Very high84.3Confident28 Ų2852.1 Ų52.114%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-105.8114.6170.2-59.5-176.9000108.2F417 M425 V533 I534 L536I408-F417 HydrophobicContact CG2-CD2 3.87Å; I408-F417 HydrophobicContact CG2-CE2 3.99Å; I408-M425 HydrophobicContact CD1-CE 4.1Å; I408-V533 WeakPolarHBondContact O-CA 3.44Å; I408-I534 HydrophobicContact CB-CB 4.5Å; I408-I534 PolarHBondContact N-O 2.81Å; I408-I534 PolarHBondContact O-N 3.07Å; I408-L536 HydrophobicContact CD1-CD1 3.64Å; I408-L536 HydrophobicContact CG1-CD1 4.23Å
409A90.1Very high84Confident25 Ų2555.5 Ų55.521%0.20730%0.299CS..EExtended strand (participates in β ladder)trans-79.4139.2169.100000110
410M85.5Confident83.8Confident4 Ų458.1 Ų58.12%0.0231%0.312CS..  trans-107.8-9.1-171.7-58.1-168.577.100114.4S412 F417 W524 L527 C528 Y531 D532 I534M410-S412 PolarHBondContact O-N 3.34Å; M410-F417 HydrophobicContact CB-CE1 4.13Å; M410-F417 HydrophobicContact CB-CZ 4.27Å; M410-F417 HydrophobicContact CE-CE1 4.17Å; M410-F417 HydrophobicContact CE-CE2 4.31Å; M410-F417 HydrophobicContact CE-CZ 3.54Å; M410-F417 HydrophobicContact CG-CE2 4.37Å; M410-F417 HydrophobicContact CG-CZ 4.18Å; M410-F417 WeakPolarHBondContact O-CD1 3.13Å; M410-W524 HydrophobicContact CE-CH2 3.75Å; M410-W524 HydrophobicContact CE-CZ2 4.28Å; M410-W524 HydrophobicContact CE-CZ3 4.11Å; M410-L527 HydrophobicContact CE-CD2 3.64Å; M410-L527 HydrophobicContact SD-CD2 3.75Å; M410-C528 HydrophobicContact CE-CB 4.08Å; M410-C528 WeakPolarHBondContact CE-SG 3.43Å; M410-Y531 WeakPolarHBondContact CB-O 3.39Å; M410-D532 PolarHBondContact N-O 2.73Å; M410-I534 HydrophobicContact CE-CD1 3.67Å; M410-I534 HydrophobicContact CE-CG1 4.4Å; M410-I534 HydrophobicContact SD-CD1 3.57Å; M410-I534 VanDerWaalsContact SD-CD1 3.57Å; M410-I534 HydrophobicContact SD-CG1 3.62Å
411H71.9Confident83.6Confident85 Ų8563 Ų6339%0.39434%0.338SS..  trans-52.7138.6-175.9-46.2-74.5000112.2D413 S414 D532H411-D413 PolarHBondContact O-N 2.68Å; H411-S414 VanDerWaalsContact O-CB 3.31Å; H411-S414 WeakPolarHBondContact O-CB 3.34Å; H411-S414 PolarHBondContact O-N 2.91Å; H411-D532 IonicContact CE1-OD1 2.66Å; H411-D532 PolarHBondContact CE1-OD1 2.93Å; H411-D532 IonicContact CE1-OD2 3.86Å; H411-D532 PolarHBondContact CE1-OD2 3.39Å; H411-D532 IonicContact ND1-OD1 2.72Å; H411-D532 PolarHBondContact ND1-OD1 2.98Å
412S53Low83.5Confident113 Ų11362.4 Ų62.479%0.7934%0.335SS*.THydrogen-bonded Turntrans-50.5-33.5-177.844.20000114.6M410 S414M410-S412 PolarHBondContact O-N 3.34Å; S412-S414 VanDerWaalsContact C-N 3.26Å; S412-S414 PolarHBondContact O-N 3.41Å
413D56Low83.5Confident144 Ų14461.8 Ų61.877%0.7733%0.329SS*.THydrogen-bonded Turntrans-85.3-6.8-169.6-51.90.7000111.3H411 Q415H411-D413 PolarHBondContact O-N 2.68Å; D413-Q415 PolarHBondContact O-N 3.01Å; D413-Q415 VanDerWaalsContact O-N 3.15Å
414S56.1Low83.4Confident37 Ų3766.6 Ų66.626%0.25935%0.347SS..  trans-74101.1173.5-1740000110.7H411 S412 T416 F417H411-S414 VanDerWaalsContact O-CB 3.31Å; H411-S414 WeakPolarHBondContact O-CB 3.34Å; H411-S414 PolarHBondContact O-N 2.91Å; S412-S414 VanDerWaalsContact C-N 3.26Å; S412-S414 PolarHBondContact O-N 3.41Å; S414-T416 PolarHBondContact O-N 3.38Å; S414-T416 PolarHBondContact OG-OG1 2.84Å; S414-F417 PolarHBondContact O-N 3.39Å
415Q56.2Low83.3Confident204 Ų20469.1 Ų69.195%0.95336%0.359SS*.THydrogen-bonded Turntrans-54.6-12.7174-62.5-178.50.400114.3D413D413-Q415 PolarHBondContact O-N 3.01Å; D413-Q415 VanDerWaalsContact O-N 3.15Å
416T68.8Low83.3Confident130 Ų13069.1 Ų69.180%0.79836%0.359SS*.THydrogen-bonded Turntrans-96-15.5178.956.50000114.9S414 S418S414-T416 PolarHBondContact O-N 3.38Å; S414-T416 PolarHBondContact OG-OG1 2.84Å; T416-S418 PolarHBondContact O-N 2.83Å
417F84.9Confident83.4Confident34 Ų3471 Ų7115%0.14937%0.365CS..  trans-87.2108.9-174.5-178.7-118.9000112.4I408 M410 S414 K419 S422 W524I408-F417 HydrophobicContact CG2-CD2 3.87Å; I408-F417 HydrophobicContact CG2-CE2 3.99Å; M410-F417 HydrophobicContact CB-CE1 4.13Å; M410-F417 HydrophobicContact CB-CZ 4.27Å; M410-F417 HydrophobicContact CE-CE1 4.17Å; M410-F417 HydrophobicContact CE-CE2 4.31Å; M410-F417 HydrophobicContact CE-CZ 3.54Å; M410-F417 HydrophobicContact CG-CE2 4.37Å; M410-F417 HydrophobicContact CG-CZ 4.18Å; M410-F417 WeakPolarHBondContact O-CD1 3.13Å; S414-F417 PolarHBondContact O-N 3.39Å; F417-K419 HydrophobicContact CD1-CG 4.46Å; F417-K419 HydrophobicContact CE1-CG 3.76Å; F417-K419 HydrophobicContact CZ-CG 4.28Å; F417-S422 WeakPolarHBondContact CE2-OG 3.33Å; F417-W524 HydrophobicContact CZ-CH2 4.48Å; F417-W524 HydrophobicContact CZ-CZ2 4.09Å
418S90.5Very high83.6Confident49 Ų4970 Ų7034%0.34337%0.366SS..  trans-104.5100.6174.8177.70000110.2T416 D420 N421 S422T416-S418 PolarHBondContact O-N 2.83Å; S418-D420 PolarHBondContact O-N 2.91Å; S418-N421 PolarHBondContact O-N 2.82Å; S418-N421 PolarHBondContact OG-ND2 2.85Å; S418-S422 WeakPolarHBondContact O-CB 3.42Å; S418-S422 PolarHBondContact O-N 3.32Å; S418-S422 PolarHBondContact O-OG 3.08Å
419K91.3Very high83.9Confident76 Ų7672.9 Ų72.933%0.3338%0.375SS..Hα-helixtrans-43.5-43.3177.8-69.9-162.4-176.9-1640113F417 F423 W524 D525 C528F417-K419 HydrophobicContact CD1-CG 4.46Å; F417-K419 HydrophobicContact CE1-CG 3.76Å; F417-K419 HydrophobicContact CZ-CG 4.28Å; K419-F423 WeakPolarHBondContact O-CB 3.27Å; K419-F423 PolarHBondContact O-N 3.23Å; K419-W524 WeakPolarHBondContact O-CZ2 3.48Å; K419-W524 PolarHBondContact O-NE1 3.16Å; K419-D525 WeakPolarHBondContact CD-OD1 3.46Å; K419-D525 IonicContact NZ-OD1 2.68Å; K419-D525 PolarHBondContact NZ-OD1 2.6Å; K419-D525 VanDerWaalsContact NZ-OD1 3.1Å; K419-C528 HydrophobicContact CD-CB 3.94Å; K419-C528 VanDerWaalsContact CE-CB 3.47Å; K419-C528 HydrophobicContact CG-CB 4.36Å
420D92.9Very high84.2Confident60 Ų6072 Ų7232%0.32137%0.367SS..Hα-helixtrans-75.6-46.6-173.1-167.848.2000112.7S418 F423 R424 R472S418-D420 PolarHBondContact O-N 2.91Å; D420-F423 PolarHBondContact O-N 3.28Å; D420-R424 VanDerWaalsContact CG-NH2 3.27Å; D420-R424 PolarHBondContact O-N 3.43Å; D420-R424 VanDerWaalsContact O-N 3.11Å; D420-R424 IonicContact OD1-CZ 3.8Å; D420-R424 IonicContact OD1-NH1 2.7Å; D420-R424 IonicContact OD1-NH2 2.67Å; D420-R424 PolarHBondContact OD1-NH2 2.73Å; D420-R424 VanDerWaalsContact OD1-NH2 3.11Å; D420-R424 IonicContact OD2-CZ 2.79Å; D420-R424 IonicContact OD2-NH1 3.18Å; D420-R424 PolarHBondContact OD2-NH1 2.87Å; D420-R424 IonicContact OD2-NH2 3.2Å; D420-R424 PolarHBondContact OD2-NH2 3.16Å; D420-R472 IonicContact OD1-NH1 2.78Å; D420-R472 PolarHBondContact OD1-NH1 2.87Å
421N93Very high84.6Confident103 Ų10374.9 Ų74.955%0.55138%0.38SS*.Hα-helixtrans-67.2-39.2175.8-71.9-33.2000111.7S418 M425S418-N421 PolarHBondContact O-N 2.82Å; S418-N421 PolarHBondContact OG-ND2 2.85Å; N421-M425 WeakPolarHBondContact O-CB 3.49Å; N421-M425 PolarHBondContact O-N 3.09Å
422S94.3Very high85.7Confident17 Ų1777 Ų7712%0.11939%0.388CS..Hα-helixtrans-60.5-50.5174-67.30000111.2F417 S418 R424 M425 L426F417-S422 WeakPolarHBondContact CE2-OG 3.33Å; S418-S422 WeakPolarHBondContact O-CB 3.42Å; S418-S422 PolarHBondContact O-N 3.32Å; S418-S422 PolarHBondContact O-OG 3.08Å; S422-R424 PolarHBondContact O-N 3.01Å; S422-M425 PolarHBondContact O-N 2.81Å; S422-L426 WeakPolarHBondContact O-CG 3.22Å; S422-L426 PolarHBondContact O-N 3.22Å
423F96.3Very high87.6Confident1 Ų171.7 Ų71.70%0.00435%0.351CS..Hα-helixtrans-58.5-47.7178.4-176.6-94.6000112.6K419 D420 M425 L426 Y427 I465 E467 R472 I474 W524K419-F423 WeakPolarHBondContact O-CB 3.27Å; K419-F423 PolarHBondContact O-N 3.23Å; D420-F423 PolarHBondContact O-N 3.28Å; F423-M425 VanDerWaalsContact C-N 3.33Å; F423-M425 PolarHBondContact O-N 2.88Å; F423-L426 PolarHBondContact O-N 2.72Å; F423-Y427 WeakPolarHBondContact O-CB 3.47Å; F423-Y427 PolarHBondContact O-N 3.27Å; F423-I465 HydrophobicContact CD2-CG2 4.47Å; F423-I465 HydrophobicContact CE2-CG2 3.62Å; F423-I465 HydrophobicContact CZ-CG2 3.79Å; F423-E467 HydrophobicContact CE1-CB 4.32Å; F423-E467 HydrophobicContact CZ-CB 4.46Å; F423-R472 HydrophobicContact CD1-CB 4.39Å; F423-R472 HydrophobicContact CD1-CG 3.93Å; F423-R472 HydrophobicContact CD2-CB 4.11Å; F423-R472 HydrophobicContact CE1-CB 4.04Å; F423-R472 HydrophobicContact CE1-CG 3.67Å; F423-R472 HydrophobicContact CE2-CB 3.73Å; F423-R472 HydrophobicContact CE2-CG 4.28Å; F423-R472 HydrophobicContact CG-CB 4.43Å; F423-R472 HydrophobicContact CG-CG 4.35Å; F423-R472 HydrophobicContact CZ-CB 3.69Å; F423-R472 HydrophobicContact CZ-CG 3.86Å; F423-I474 HydrophobicContact CD2-CD1 4.32Å; F423-I474 HydrophobicContact CE2-CD1 3.96Å; F423-W524 HydrophobicContact CB-CD2 4.17Å; F423-W524 HydrophobicContact CB-CG 4.33Å; F423-W524 HydrophobicContact CB-CZ2 4.21Å; F423-W524 HydrophobicContact CD2-CB 4.06Å; F423-W524 AromaticContact CD2-CD2 3.76Å; F423-W524 HydrophobicContact CD2-CD2 3.76Å; F423-W524 HydrophobicContact CD2-CE3 4.09Å; F423-W524 AromaticContact CD2-CG 3.75Å; F423-W524 HydrophobicContact CD2-CG 3.75Å; F423-W524 HydrophobicContact CE2-CB 4.39Å; F423-W524 HydrophobicContact CG-CD2 4.41Å; F423-W524 HydrophobicContact CG-CG 4.32Å
424R96.4Very high89.6Confident115 Ų11565.9 Ų65.943%0.43432%0.32SS..Hα-helixtrans-59.6-42.9178.4-71.4-166-167.89518.4112.1D420 S422 Q428D420-R424 VanDerWaalsContact CG-NH2 3.27Å; D420-R424 PolarHBondContact O-N 3.43Å; D420-R424 VanDerWaalsContact O-N 3.11Å; D420-R424 IonicContact OD1-CZ 3.8Å; D420-R424 IonicContact OD1-NH1 2.7Å; D420-R424 IonicContact OD1-NH2 2.67Å; D420-R424 PolarHBondContact OD1-NH2 2.73Å; D420-R424 VanDerWaalsContact OD1-NH2 3.11Å; D420-R424 IonicContact OD2-CZ 2.79Å; D420-R424 IonicContact OD2-NH1 3.18Å; D420-R424 PolarHBondContact OD2-NH1 2.87Å; D420-R424 IonicContact OD2-NH2 3.2Å; D420-R424 PolarHBondContact OD2-NH2 3.16Å; S422-R424 PolarHBondContact O-N 3.01Å; R424-Q428 WeakPolarHBondContact O-CB 3.28Å; R424-Q428 VanDerWaalsContact O-CG 3.23Å; R424-Q428 WeakPolarHBondContact O-CG 3.1Å; R424-Q428 PolarHBondContact O-N 3.48Å
425M96.4Very high91.6Very high54 Ų5464.2 Ų64.227%0.26631%0.308SS..Hα-helixtrans-62.5-48.8176.7-176.8-151.372.800111.3I408 N421 S422 F423 R429 L536 W538I408-M425 HydrophobicContact CD1-CE 4.1Å; N421-M425 WeakPolarHBondContact O-CB 3.49Å; N421-M425 PolarHBondContact O-N 3.09Å; S422-M425 PolarHBondContact O-N 2.81Å; F423-M425 VanDerWaalsContact C-N 3.33Å; F423-M425 PolarHBondContact O-N 2.88Å; M425-R429 HydrophobicContact CG-CG 4.36Å; M425-R429 VanDerWaalsContact O-CB 3.24Å; M425-R429 WeakPolarHBondContact O-CB 3.32Å; M425-R429 WeakPolarHBondContact O-CG 3.35Å; M425-R429 PolarHBondContact O-N 3.07Å; M425-L536 HydrophobicContact CE-CD1 3.65Å; M425-W538 HydrophobicContact CE-CH2 4.08Å; M425-W538 HydrophobicContact CE-CZ2 4Å; M425-W538 HydrophobicContact CG-CH2 4.18Å; M425-W538 HydrophobicContact SD-CH2 3.84Å; M425-W538 HydrophobicContact SD-CZ2 3.92Å
426L97.6Very high93.6Very high3 Ų354.5 Ų54.52%0.01626%0.263CS..Hα-helixtrans-59.1-53.7178.9-64.7168.8000110.5S422 F423 Q428 R429 F430 I437 I465 W524 I534 L536S422-L426 WeakPolarHBondContact O-CG 3.22Å; S422-L426 PolarHBondContact O-N 3.22Å; F423-L426 PolarHBondContact O-N 2.72Å; L426-Q428 PolarHBondContact O-N 2.96Å; L426-R429 PolarHBondContact O-N 3.34Å; L426-F430 WeakPolarHBondContact O-CB 3.41Å; L426-F430 PolarHBondContact O-N 2.79Å; L426-I437 HydrophobicContact CB-CD1 4.28Å; L426-I437 HydrophobicContact CD2-CD1 3.87Å; L426-I437 HydrophobicContact CD2-CG1 4.46Å; L426-I437 HydrophobicContact CD2-CG2 4.33Å; L426-I465 HydrophobicContact CB-CD1 3.89Å; L426-W524 HydrophobicContact CD1-CH2 3.6Å; L426-W524 HydrophobicContact CD1-CZ3 3.81Å; L426-I534 HydrophobicContact CD1-CD1 3.96Å; L426-I534 HydrophobicContact CD2-CG2 4.28Å; L426-L536 HydrophobicContact CD2-CD1 4.25Å; L426-L536 HydrophobicContact CD2-CD2 3.49Å; L426-L536 VanDerWaalsContact CD2-CD2 3.49Å; L426-L536 HydrophobicContact CD2-CG 4.49Å
427Y97.2Very high95Very high78 Ų7848.4 Ų48.431%0.30623%0.225SC..Hα-helixtrans-54.7-51.8178.8179.9-98.4000112.6F423 R429 H431 I465F423-Y427 WeakPolarHBondContact O-CB 3.47Å; F423-Y427 PolarHBondContact O-N 3.27Å; Y427-R429 PolarHBondContact O-N 3.44Å; Y427-H431 AromaticContact CD2-CD2 3.63Å; Y427-H431 AromaticContact CD2-NE2 3.69Å; Y427-H431 AromaticContact CE2-CD2 3.51Å; Y427-H431 AromaticContact CE2-NE2 3.45Å; Y427-H431 WeakPolarHBondContact CE2-NE2 3.42Å; Y427-H431 AromaticContact CZ-CD2 3.89Å; Y427-H431 PolarHBondContact O-CD2 2.86Å; Y427-H431 VanDerWaalsContact O-CD2 3.25Å; Y427-H431 PolarHBondContact O-N 2.88Å; Y427-I465 HydrophobicContact CD2-CB 4.29Å; Y427-I465 HydrophobicContact CD2-CG2 3.79Å; Y427-I465 HydrophobicContact CG-CG2 4.39Å
428Q96.8Very high95.6Very high109 Ų10946.8 Ų46.851%0.50922%0.218SC..Hα-helixtrans-66.4-35.7-176.9-72.5178.210.200113.4R424 L426 K432R424-Q428 WeakPolarHBondContact O-CB 3.28Å; R424-Q428 VanDerWaalsContact O-CG 3.23Å; R424-Q428 WeakPolarHBondContact O-CG 3.1Å; R424-Q428 PolarHBondContact O-N 3.48Å; L426-Q428 PolarHBondContact O-N 2.96Å; Q428-K432 WeakPolarHBondContact O-CD 3.06Å; Q428-K432 VanDerWaalsContact O-CG 3.28Å; Q428-K432 WeakPolarHBondContact O-CG 3.31Å
429R97.1Very high95.9Very high89 Ų8944.5 Ų44.534%0.33620%0.202SC..Hα-helixtrans-85-37.8-175.8-66.5-65-168.9173.65.5111.8M425 L426 Y427 K432 G433 D434 V435 W538M425-R429 HydrophobicContact CG-CG 4.36Å; M425-R429 VanDerWaalsContact O-CB 3.24Å; M425-R429 WeakPolarHBondContact O-CB 3.32Å; M425-R429 WeakPolarHBondContact O-CG 3.35Å; M425-R429 PolarHBondContact O-N 3.07Å; L426-R429 PolarHBondContact O-N 3.34Å; Y427-R429 PolarHBondContact O-N 3.44Å; R429-K432 PolarHBondContact O-N 3.43Å; R429-G433 PolarHBondContact O-N 3.05Å; R429-D434 HydrophobicContact CB-CB 4.05Å; R429-D434 WeakPolarHBondContact CD-OD2 3.45Å; R429-D434 IonicContact CZ-OD2 3.32Å; R429-D434 IonicContact NE-OD2 2.76Å; R429-D434 IonicContact NH1-OD2 3.49Å; R429-D434 PolarHBondContact NH1-OD2 3.25Å; R429-D434 WeakPolarHBondContact O-CB 3.46Å; R429-D434 PolarHBondContact O-N 3.23Å; R429-V435 HydrophobicContact CB-CB 4.44Å; R429-V435 HydrophobicContact CB-CG1 3.66Å; R429-W538 HydrophobicContact CB-CH2 4.28Å; R429-W538 HydrophobicContact CB-CZ3 3.86Å; R429-W538 HydrophobicContact CG-CH2 3.94Å; R429-W538 HydrophobicContact CG-CZ3 3.66Å
430F96.3Very high96.1Very high7 Ų741.6 Ų41.63%0.03119%0.191CC..Hα-helixtrans-59.2-50.9174.2178.5-101.8000111.5I298 R305 F306 L426 K432 G433 I437 L463 D464 I465I298-F430 HydrophobicContact CD1-CE2 4.34Å; R305-F430 VanDerWaalsContact NH1-CE1 3.34Å; F306-F430 VanDerWaalsContact CZ-O 3.32Å; F306-F430 WeakPolarHBondContact CZ-O 3.5Å; L426-F430 WeakPolarHBondContact O-CB 3.41Å; L426-F430 PolarHBondContact O-N 2.79Å; F430-K432 VanDerWaalsContact C-N 3.26Å; F430-K432 PolarHBondContact O-N 3.25Å; F430-G433 PolarHBondContact O-N 3.44Å; F430-I437 HydrophobicContact CB-CD1 3.89Å; F430-I437 HydrophobicContact CD2-CD1 3.87Å; F430-I437 HydrophobicContact CD2-CG1 4.41Å; F430-I437 HydrophobicContact CG-CD1 4.22Å; F430-L463 WeakPolarHBondContact CZ-O 3.09Å; F430-D464 WeakPolarHBondContact CE1-OD1 3.46Å; F430-I465 HydrophobicContact CB-CD1 3.89Å; F430-I465 HydrophobicContact CD1-CB 4.21Å; F430-I465 HydrophobicContact CD1-CD1 4.23Å; F430-I465 HydrophobicContact CD1-CG1 3.97Å; F430-I465 HydrophobicContact CD2-CD1 4.48Å; F430-I465 HydrophobicContact CE1-CG1 4.35Å; F430-I465 HydrophobicContact CG-CD1 3.95Å; F430-I465 HydrophobicContact CG-CG1 4.16Å
431H92.9Very high96.2Very high64 Ų6439 Ų3930%0.29618%0.178SC..THydrogen-bonded Turntrans-70.8-16.1-179.3-72.2-55.9000114.7Y427 D464 I465Y427-H431 AromaticContact CD2-CD2 3.63Å; Y427-H431 AromaticContact CD2-NE2 3.69Å; Y427-H431 AromaticContact CE2-CD2 3.51Å; Y427-H431 AromaticContact CE2-NE2 3.45Å; Y427-H431 WeakPolarHBondContact CE2-NE2 3.42Å; Y427-H431 AromaticContact CZ-CD2 3.89Å; Y427-H431 PolarHBondContact O-CD2 2.86Å; Y427-H431 VanDerWaalsContact O-CD2 3.25Å; Y427-H431 PolarHBondContact O-N 2.88Å; H431-D464 IonicContact CE1-OD1 2.71Å; H431-D464 PolarHBondContact CE1-OD1 2.82Å; H431-I465 PolarHBondContact CE1-O 3.45Å; H431-I465 PolarHBondContact NE2-O 3.28Å
432K94.8Very high96Very high130 Ų13034.4 Ų34.457%0.56516%0.155SC*.THydrogen-bonded Turntrans-82.9-14.7169.3-74.9177.6179.7-174.60113.8Q428 R429 F430 D434Q428-K432 WeakPolarHBondContact O-CD 3.06Å; Q428-K432 VanDerWaalsContact O-CG 3.28Å; Q428-K432 WeakPolarHBondContact O-CG 3.31Å; R429-K432 PolarHBondContact O-N 3.43Å; F430-K432 VanDerWaalsContact C-N 3.26Å; F430-K432 PolarHBondContact O-N 3.25Å; K432-D434 HydrophobicContact CB-CB 4.47Å; K432-D434 WeakPolarHBondContact CB-OD2 3.47Å; K432-D434 WeakPolarHBondContact CD-OD2 2.95Å
433G94.5Very high95.7Very high1 Ų141.7 Ų41.71%0.0119%0.189CC..THydrogen-bonded Turntrans73.628.6-170.500000113.1Y302 F306 R429 F430 N539Y302-G433 WeakPolarHBondContact CE2-O 3.48Å; Y302-G433 PolarHBondContact OH-O 3.2Å; F306-G433 VanDerWaalsContact CE2-CA 3.48Å; F306-G433 VanDerWaalsContact CZ-N 3.29Å; R429-G433 PolarHBondContact O-N 3.05Å; F430-G433 PolarHBondContact O-N 3.44Å; G433-N539 PolarHBondContact O-ND2 2.94Å
434D96.8Very high95.4Very high22 Ų2243.6 Ų43.612%0.11820%0.198CC..  trans-85.2-16.9179.7-66-18.9000112.8R429 K432 N539 L542R429-D434 HydrophobicContact CB-CB 4.05Å; R429-D434 WeakPolarHBondContact CD-OD2 3.45Å; R429-D434 IonicContact CZ-OD2 3.32Å; R429-D434 IonicContact NE-OD2 2.76Å; R429-D434 IonicContact NH1-OD2 3.49Å; R429-D434 PolarHBondContact NH1-OD2 3.25Å; R429-D434 WeakPolarHBondContact O-CB 3.46Å; R429-D434 PolarHBondContact O-N 3.23Å; K432-D434 HydrophobicContact CB-CB 4.47Å; K432-D434 WeakPolarHBondContact CB-OD2 3.47Å; K432-D434 WeakPolarHBondContact CD-OD2 2.95Å; D434-N539 WeakPolarHBondContact O-CB 3.38Å; D434-N539 PolarHBondContact O-N 2.97Å; D434-L542 HydrophobicContact CB-CD1 4.28Å; D434-L542 HydrophobicContact CB-CD2 4.08Å
435V98.1Very high95.2Very high2 Ų241.9 Ų41.91%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-153.5140.5-168.968.70000112.5R429 I437 L536 S537 W538R429-V435 HydrophobicContact CB-CB 4.44Å; R429-V435 HydrophobicContact CB-CG1 3.66Å; V435-I437 HydrophobicContact CG1-CD1 3.97Å; V435-I437 HydrophobicContact CG1-CG1 3.94Å; V435-I437 HydrophobicContact CG2-CG1 4.21Å; V435-L536 HydrophobicContact CG2-CB 3.92Å; V435-L536 HydrophobicContact CG2-CD2 4.04Å; V435-L536 HydrophobicContact CG2-CG 4.45Å; V435-S537 CarbonylContact C-O 3.54Å; V435-S537 WeakPolarHBondContact CA-O 3.23Å; V435-S537 WeakPolarHBondContact CG2-O 3.5Å; V435-W538 HydrophobicContact CB-CD2 4.22Å; V435-W538 HydrophobicContact CB-CE3 3.79Å; V435-W538 HydrophobicContact CB-CZ3 4.04Å; V435-W538 HydrophobicContact CG2-CD2 3.84Å; V435-W538 HydrophobicContact CG2-CE3 3.93Å; V435-W538 HydrophobicContact CG2-CG 4.29Å; V435-W538 HydrophobicContact CG2-CZ2 4.49Å; V435-W538 HydrophobicContact CG2-CZ3 4.3Å
436L98.4Very high94.9Very high1 Ų147 Ų471%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-97139164.7-55.8175.5000108.6I298 Y302 L310 L397 T401 W403 L536 S537I298-L436 HydrophobicContact CG1-CB 4.15Å; I298-L436 HydrophobicContact CG1-CD2 4.17Å; I298-L436 HydrophobicContact CG2-CB 4.39Å; Y302-L436 VanDerWaalsContact CB-CD2 3.5Å; Y302-L436 HydrophobicContact CD2-CD2 3.43Å; Y302-L436 VanDerWaalsContact CD2-CD2 3.43Å; Y302-L436 HydrophobicContact CE2-CD2 4.3Å; Y302-L436 HydrophobicContact CG-CD2 3.58Å; L310-L436 HydrophobicContact CD1-CD1 4.11Å; L310-L436 HydrophobicContact CD1-CD2 4.38Å; L397-L436 HydrophobicContact CD1-CB 4.24Å; L397-L436 HydrophobicContact CD2-CB 4.33Å; L397-L436 HydrophobicContact CD2-CD1 3.89Å; T401-L436 HydrophobicContact CG2-CD1 4.1Å; W403-L436 HydrophobicContact CD2-CD1 4.4Å; W403-L436 HydrophobicContact CE3-CD1 4.04Å; W403-L436 HydrophobicContact CE3-CG 3.79Å; W403-L436 HydrophobicContact CH2-CG 4.4Å; W403-L436 HydrophobicContact CZ3-CD1 4.3Å; W403-L436 HydrophobicContact CZ3-CD2 4.25Å; W403-L436 HydrophobicContact CZ3-CG 3.69Å; L436-L536 WeakPolarHBondContact O-CA 3.19Å; L436-S537 PolarHBondContact N-O 3.19Å; L436-S537 PolarHBondContact O-N 3.08Å
437I98.4Very high94.6Very high2 Ų250.1 Ų50.11%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-131.2132.6-169.9-49.1174000109.6L426 F430 V435 V462 I465 I534 L536L426-I437 HydrophobicContact CB-CD1 4.28Å; L426-I437 HydrophobicContact CD2-CD1 3.87Å; L426-I437 HydrophobicContact CD2-CG1 4.46Å; L426-I437 HydrophobicContact CD2-CG2 4.33Å; F430-I437 HydrophobicContact CB-CD1 3.89Å; F430-I437 HydrophobicContact CD2-CD1 3.87Å; F430-I437 HydrophobicContact CD2-CG1 4.41Å; F430-I437 HydrophobicContact CG-CD1 4.22Å; V435-I437 HydrophobicContact CG1-CD1 3.97Å; V435-I437 HydrophobicContact CG1-CG1 3.94Å; V435-I437 HydrophobicContact CG2-CG1 4.21Å; I437-V462 HydrophobicContact CB-CB 3.93Å; I437-V462 HydrophobicContact CB-CG1 4.31Å; I437-V462 HydrophobicContact CB-CG2 4.22Å; I437-V462 HydrophobicContact CG2-CB 3.96Å; I437-V462 HydrophobicContact CG2-CG1 4.31Å; I437-V462 HydrophobicContact CG2-CG2 3.71Å; I437-V462 WeakPolarHBondContact O-CB 3.48Å; I437-V462 PolarHBondContact O-N 3.04Å; I437-V462 VanDerWaalsContact O-N 3.16Å; I437-I465 HydrophobicContact CD1-CD1 3.71Å; I437-I534 HydrophobicContact CG2-CG2 3.89Å; I437-L536 HydrophobicContact CB-CD2 4.23Å; I437-L536 HydrophobicContact CG1-CD2 3.82Å; I437-L536 HydrophobicContact CG2-CD2 3.85Å
438T98.2Very high94.4Very high0 Ų050.8 Ų50.80%026%0.256CS..EExtended strand (participates in β ladder)trans-131.4156.2164.163.70000109.6A294 I298 S393 L397 Y460 Y535A294-T438 HydrophobicContact CB-CG2 4.35Å; I298-T438 HydrophobicContact CG2-CG2 4.1Å; S393-T438 WeakPolarHBondContact CB-OG1 3.43Å; S393-T438 PolarHBondContact OG-OG1 3.47Å; L397-T438 HydrophobicContact CD1-CG2 4.4Å; T438-Y460 CarbonylContact C-O 3.58Å; T438-Y460 VanDerWaalsContact CA-O 3.25Å; T438-Y460 WeakPolarHBondContact CA-O 3.31Å; T438-Y460 VanDerWaalsContact CB-O 3.27Å; T438-Y460 WeakPolarHBondContact CB-O 3.39Å; T438-Y535 PolarHBondContact N-O 2.86Å; T438-Y535 PolarHBondContact O-N 2.87Å
439A97.1Very high94.2Very high0 Ų045.7 Ų45.70%023%0.232CC..EExtended strand (participates in β ladder)trans-122.3141.7175.500000109.5Y460 L476 L527 Y531 V533 I534A439-Y460 PolarHBondContact N-O 3.23Å; A439-Y460 PolarHBondContact O-N 3.08Å; A439-L476 HydrophobicContact CB-CD2 4.46Å; A439-L527 HydrophobicContact CB-CD1 4.45Å; A439-Y531 HydrophobicContact CB-CD1 3.61Å; A439-Y531 HydrophobicContact CB-CE1 4Å; A439-Y531 HydrophobicContact CB-CG 4.41Å; A439-V533 WeakPolarHBondContact CA-O 3.4Å; A439-I534 HydrophobicContact CB-CG1 4.23Å
440S95.4Very high94Very high15 Ų1548.1 Ų48.111%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-122.8136.8178.3-66.20000112.7H458 D532 V533 Y535S440-H458 VanDerWaalsContact CA-O 3.23Å; S440-H458 WeakPolarHBondContact CA-O 3.41Å; S440-D532 PolarHBondContact O-N 2.83Å; S440-D532 VanDerWaalsContact O-N 3.09Å; S440-V533 PolarHBondContact N-O 3.19Å; S440-V533 PolarHBondContact O-N 2.99Å; S440-Y535 WeakPolarHBondContact OG-CE2 3.31Å
441T94.1Very high93.8Very high7 Ų754.2 Ų54.24%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-74.7151.5173.745.70000111.2M444 L454 V455 T457 H458 Y460 Y531T441-M444 HydrophobicContact CG2-CE 3.97Å; T441-L454 HydrophobicContact CG2-CB 4.45Å; T441-L454 HydrophobicContact CG2-CD1 4.5Å; T441-V455 WeakPolarHBondContact CB-O 3.44Å; T441-V455 PolarHBondContact OG1-O 2.78Å; T441-T457 WeakPolarHBondContact O-CA 2.98Å; T441-T457 PolarHBondContact OG1-N 3.41Å; T441-H458 PolarHBondContact N-O 3.47Å; T441-H458 VanDerWaalsContact N-O 3.08Å; T441-H458 PolarHBondContact OG1-N 3.36Å; T441-H458 PolarHBondContact OG1-O 3.45Å; T441-Y460 HydrophobicContact CG2-CE2 3.86Å; T441-Y531 HydrophobicContact CG2-CD1 3.98Å; T441-Y531 HydrophobicContact CG2-CE1 3.75Å; T441-Y531 HydrophobicContact CG2-CE2 4.35Å; T441-Y531 HydrophobicContact CG2-CG 4.38Å
442G88.6Confident93.9Very high6 Ų654.5 Ų54.56%0.06227%0.273CS..  trans-80.1-167.4175.800000114.2M444 T457 D532G442-M444 PolarHBondContact O-N 3.44Å; G442-T457 PolarHBondContact O-N 2.88Å; G442-D532 VanDerWaalsContact CA-CG 3.46Å; G442-D532 WeakPolarHBondContact CA-OD2 3.48Å
443M87.6Confident93.8Very high170 Ų17048.3 Ų48.384%0.83725%0.246SC*.SBendtrans-66.9124.3160.6-68.7-66.9-67.200109.1T457M443-T457 HydrophobicContact CG-CG2 4.29Å; M443-T457 HydrophobicContact SD-CG2 3.55Å; M443-T457 VanDerWaalsContact SD-CG2 3.55Å
444M90.9Very high93.8Very high41 Ų4148.4 Ų48.420%0.20225%0.246CC..  trans-144.5159.8172.161.3-177.16500109T441 G442 E448 L454 P456T441-M444 HydrophobicContact CG2-CE 3.97Å; G442-M444 PolarHBondContact O-N 3.44Å; M444-E448 HydrophobicContact CB-CB 4.44Å; M444-L454 HydrophobicContact CE-CB 4.5Å; M444-L454 HydrophobicContact SD-CB 4.13Å; M444-P456 HydrophobicContact CG-CB 3.68Å
445T91.9Very high93.6Very high79 Ų7948 Ų4849%0.48524%0.244SC..  trans-71.7153173.763.40000111.1A447 E448 G449T445-A447 PolarHBondContact O-N 3.5Å; T445-E448 WeakPolarHBondContact CB-OE2 3.47Å; T445-E448 WeakPolarHBondContact CG2-OE2 3.46Å; T445-E448 PolarHBondContact N-OE2 2.73Å; T445-E448 PolarHBondContact O-N 3.19Å; T445-E448 VanDerWaalsContact OG1-CD 3.29Å; T445-E448 VanDerWaalsContact OG1-CG 3.24Å; T445-E448 WeakPolarHBondContact OG1-CG 3.39Å; T445-E448 PolarHBondContact OG1-N 2.9Å; T445-E448 PolarHBondContact OG1-OE2 2.9Å; T445-G449 PolarHBondContact O-N 3.18Å
446E89.4Confident93.3Very high161 Ų16149.8 Ų49.875%0.75226%0.256SS*.Hα-helixtrans-56.9-38175.4-64.5-178.3150.100111.3E448 G449 E450E446-E448 PolarHBondContact O-N 3.08Å; E446-G449 PolarHBondContact O-N 2.86Å; E446-E450 WeakPolarHBondContact O-CB 3.03Å; E446-E450 WeakPolarHBondContact O-CG 3.48Å; E446-E450 PolarHBondContact O-N 3.23Å
447A93Very high92.9Very high68 Ų6854.1 Ų54.156%0.56228%0.283SS*.Hα-helixtrans-64.8-34.117600000113.7T445 K451T445-A447 PolarHBondContact O-N 3.5Å; A447-K451 WeakPolarHBondContact O-CB 3.47Å; A447-K451 PolarHBondContact O-N 2.98Å
448E91.7Very high92.6Very high92 Ų9254.4 Ų54.443%0.4328%0.284SS..Hα-helixtrans-72.2-40172.6-73.4164.2124.600111.6M444 T445 E446 K451 W452M444-E448 HydrophobicContact CB-CB 4.44Å; T445-E448 WeakPolarHBondContact CB-OE2 3.47Å; T445-E448 WeakPolarHBondContact CG2-OE2 3.46Å; T445-E448 PolarHBondContact N-OE2 2.73Å; T445-E448 PolarHBondContact O-N 3.19Å; T445-E448 VanDerWaalsContact OG1-CD 3.29Å; T445-E448 VanDerWaalsContact OG1-CG 3.24Å; T445-E448 WeakPolarHBondContact OG1-CG 3.39Å; T445-E448 PolarHBondContact OG1-N 2.9Å; T445-E448 PolarHBondContact OG1-OE2 2.9Å; E446-E448 PolarHBondContact O-N 3.08Å; E448-K451 PolarHBondContact O-N 3.34Å; E448-W452 VanDerWaalsContact O-CD1 3.3Å; E448-W452 PolarHBondContact O-N 2.84Å
449G92.4Very high92.5Very high2 Ų254.4 Ų54.42%0.02128%0.284CS..Hα-helixtrans-59.1-51.9172.800000111.9T445 E446 K451 W452 G453 L454T445-G449 PolarHBondContact O-N 3.18Å; E446-G449 PolarHBondContact O-N 2.86Å; G449-K451 PolarHBondContact O-N 2.92Å; G449-W452 PolarHBondContact O-N 2.76Å; G449-G453 CarbonylContact O-C 3.53Å; G449-G453 WeakPolarHBondContact O-CA 3.38Å; G449-G453 PolarHBondContact O-N 2.74Å; G449-L454 CarbonylContact C-O 3.44Å; G449-L454 WeakPolarHBondContact CA-O 3.28Å; G449-L454 PolarHBondContact O-N 3.24Å; G449-L454 VanDerWaalsContact O-O 3.13Å
450E92.5Very high92.5Very high140 Ų14054.4 Ų54.465%0.65428%0.284SS*.Hα-helixtrans-59.3-43.8175.4-75.7-168.4161.500112.6E446 W452 K486E446-E450 WeakPolarHBondContact O-CB 3.03Å; E446-E450 WeakPolarHBondContact O-CG 3.48Å; E446-E450 PolarHBondContact O-N 3.23Å; E450-W452 PolarHBondContact O-N 2.79Å; E450-K486 WeakPolarHBondContact O-CD 3.39Å; E450-K486 WeakPolarHBondContact O-CE 3.47Å; E450-K486 PolarHBondContact O-NZ 2.83Å
451K93.8Very high92.6Very high135 Ų13553.7 Ų53.759%0.58728%0.279SS*.Hα-helixtrans-59.4-44.8178.4173.2-177.9175.6-177.70112.2A447 E448 G449A447-K451 WeakPolarHBondContact O-CB 3.47Å; A447-K451 PolarHBondContact O-N 2.98Å; E448-K451 PolarHBondContact O-N 3.34Å; G449-K451 PolarHBondContact O-N 2.92Å
452W94.1Very high92.7Very high71 Ų7153.6 Ų53.627%0.26928%0.278SS..Hα-helixtrans-96.2-7.9-175.8-65.7121.8000114.6E448 G449 E450 L454 W485 K486 Y530E448-W452 VanDerWaalsContact O-CD1 3.3Å; E448-W452 PolarHBondContact O-N 2.84Å; G449-W452 PolarHBondContact O-N 2.76Å; E450-W452 PolarHBondContact O-N 2.79Å; W452-L454 HydrophobicContact CB-CD1 4.38Å; W452-L454 HydrophobicContact CB-CG 4.3Å; W452-W485 HydrophobicContact CB-CE3 4.29Å; W452-W485 HydrophobicContact CB-CZ3 3.93Å; W452-W485 HydrophobicContact CD2-CZ3 4.44Å; W452-W485 HydrophobicContact CE3-CH2 4.23Å; W452-W485 HydrophobicContact CE3-CZ3 4.26Å; W452-W485 HydrophobicContact CG-CZ3 4.34Å; W452-W485 CarbonylContact O-C 3.58Å; W452-W485 WeakPolarHBondContact O-CA 3.36Å; W452-W485 VanDerWaalsContact O-CE3 3.31Å; W452-K486 PolarHBondContact O-N 3.38Å; W452-Y530 AromaticContact CD1-CE1 3.71Å; W452-Y530 HydrophobicContact CD2-CE1 4.4Å; W452-Y530 AromaticContact CE2-CZ 3.92Å; W452-Y530 HydrophobicContact CG-CE1 4.22Å; W452-Y530 WeakPolarHBondContact CZ2-OH 3.19Å; W452-Y530 AromaticContact NE1-CE1 3.54Å; W452-Y530 AromaticContact NE1-CZ 3.94Å
453G93.9Very high93Very high0 Ų053.6 Ų53.60%028%0.277CS..THydrogen-bonded Turntrans73.933.3-175.800000113.5G449 R484 W485G449-G453 CarbonylContact O-C 3.53Å; G449-G453 WeakPolarHBondContact O-CA 3.38Å; G449-G453 PolarHBondContact O-N 2.74Å; G453-R484 VanDerWaalsContact CA-O 3.28Å; G453-R484 WeakPolarHBondContact CA-O 3.44Å; G453-R484 CarbonylContact O-C 3.55Å; G453-W485 PolarHBondContact O-N 3.11Å
454L94.4Very high93.3Very high3 Ų345.9 Ų45.92%0.01624%0.239CC..  trans-118.7156.7179.7-61.5-179.1000110.2T441 M444 G449 W452 Y460 W485 F520 Y530 Y531T441-L454 HydrophobicContact CG2-CB 4.45Å; T441-L454 HydrophobicContact CG2-CD1 4.5Å; M444-L454 HydrophobicContact CE-CB 4.5Å; M444-L454 HydrophobicContact SD-CB 4.13Å; G449-L454 CarbonylContact C-O 3.44Å; G449-L454 WeakPolarHBondContact CA-O 3.28Å; G449-L454 PolarHBondContact O-N 3.24Å; G449-L454 VanDerWaalsContact O-O 3.13Å; W452-L454 HydrophobicContact CB-CD1 4.38Å; W452-L454 HydrophobicContact CB-CG 4.3Å; L454-Y460 WeakPolarHBondContact CA-OH 3.4Å; L454-W485 HydrophobicContact CD1-CE3 4.13Å; L454-W485 HydrophobicContact CD1-CZ3 4.05Å; L454-W485 HydrophobicContact CD2-CE3 4.18Å; L454-W485 HydrophobicContact CG-CE3 4.1Å; L454-W485 HydrophobicContact CG-CZ3 4.47Å; L454-F520 HydrophobicContact CD2-CZ 4.35Å; L454-Y530 HydrophobicContact CD1-CG 4.08Å; L454-Y531 HydrophobicContact CD1-CE2 4.28Å; L454-Y531 HydrophobicContact CD2-CE2 4.22Å; L454-Y531 WeakPolarHBondContact CD2-OH 3.45Å
455V91.8Very high93.6Very high12 Ų1244 Ų447%0.07323%0.23CC..  trans-106.6135.5175.1-175.80000108.2T441 H458 Y460 W480 L483T441-V455 WeakPolarHBondContact CB-O 3.44Å; T441-V455 PolarHBondContact OG1-O 2.78Å; V455-H458 HydrophobicContact CB-CB 3.59Å; V455-H458 HydrophobicContact CG1-CB 3.65Å; V455-Y460 PolarHBondContact N-OH 3.04Å; V455-W480 HydrophobicContact CB-CH2 4.35Å; V455-W480 HydrophobicContact CB-CZ3 4.48Å; V455-W480 HydrophobicContact CG1-CH2 3.45Å; V455-W480 VanDerWaalsContact CG1-CH2 3.45Å; V455-W480 HydrophobicContact CG1-CZ2 3.91Å; V455-W480 HydrophobicContact CG1-CZ3 4.02Å; V455-W480 HydrophobicContact CG2-CE3 3.96Å; V455-W480 HydrophobicContact CG2-CH2 3.88Å; V455-W480 HydrophobicContact CG2-CZ3 3.55Å; V455-L483 HydrophobicContact CG2-CD2 3.73Å
456P90.9Very high93.8Very high41 Ų4142.5 Ų42.527%0.26622%0.215SC..THydrogen-bonded Turntrans-63.5144.2172.825.8-34.3000111.9M444 H458M444-P456 HydrophobicContact CG-CB 3.68Å; P456-H458 VanDerWaalsContact C-N 3.28Å; P456-H458 PolarHBondContact O-N 2.87Å
457T90.5Very high94Very high92 Ų9238.9 Ų38.956%0.56420%0.199SC*.THydrogen-bonded Turntrans5140.5172.7530000114.8T441 G442 M443T441-T457 WeakPolarHBondContact O-CA 2.98Å; T441-T457 PolarHBondContact OG1-N 3.41Å; G442-T457 PolarHBondContact O-N 2.88Å; M443-T457 HydrophobicContact CG-CG2 4.29Å; M443-T457 HydrophobicContact SD-CG2 3.55Å; M443-T457 VanDerWaalsContact SD-CG2 3.55Å
458H93.3Very high94Very high7 Ų737.2 Ų37.23%0.03218%0.179CC..  trans-123.8152.8-167.6-171.460.6000112.1C290 S440 T441 V455 P456 Y460 N478 W480C290-H458 WeakPolarHBondContact CB-CE1 3.43Å; C290-H458 WeakPolarHBondContact CB-ND1 3.41Å; C290-H458 PolarHBondContact SG-ND1 3.5Å; C290-H458 VanDerWaalsContact SG-ND1 3.42Å; S440-H458 VanDerWaalsContact CA-O 3.23Å; S440-H458 WeakPolarHBondContact CA-O 3.41Å; T441-H458 PolarHBondContact N-O 3.47Å; T441-H458 VanDerWaalsContact N-O 3.08Å; T441-H458 PolarHBondContact OG1-N 3.36Å; T441-H458 PolarHBondContact OG1-O 3.45Å; V455-H458 HydrophobicContact CB-CB 3.59Å; V455-H458 HydrophobicContact CG1-CB 3.65Å; P456-H458 VanDerWaalsContact C-N 3.28Å; P456-H458 PolarHBondContact O-N 2.87Å; H458-Y460 HydrophobicContact CB-CE2 4.21Å; H458-Y460 AromaticContact CD2-CE2 3.61Å; H458-Y460 AromaticContact CD2-CZ 3.73Å; H458-N478 PolarHBondContact NE2-OD1 3.22Å; H458-W480 AromaticContact CE1-CD1 3.72Å; H458-W480 AromaticContact CE1-CE2 3.63Å; H458-W480 AromaticContact CE1-NE1 3.31Å; H458-W480 PolarHBondContact CE1-NE1 3.42Å; H458-W480 VanDerWaalsContact CE1-NE1 3.31Å
459A95Very high94.1Very high1 Ų140 Ų401%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-104.9136-176.500000112.8C290 A294 P479C290-A459 PolarHBondContact SG-N 2.82Å; A294-A459 HydrophobicContact CB-CB 4.04Å; A459-P479 WeakPolarHBondContact O-CD 3.31Å; A459-P479 VanDerWaalsContact O-CG 3.3Å; A459-P479 WeakPolarHBondContact O-CG 3.33Å
460Y96.9Very high94Very high0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-123.9134.7-179.3-66.1-104.2000110.7T438 A439 T441 L454 V455 H458 L476 K477 N478 F520 Y531T438-Y460 CarbonylContact C-O 3.58Å; T438-Y460 VanDerWaalsContact CA-O 3.25Å; T438-Y460 WeakPolarHBondContact CA-O 3.31Å; T438-Y460 VanDerWaalsContact CB-O 3.27Å; T438-Y460 WeakPolarHBondContact CB-O 3.39Å; A439-Y460 PolarHBondContact N-O 3.23Å; A439-Y460 PolarHBondContact O-N 3.08Å; T441-Y460 HydrophobicContact CG2-CE2 3.86Å; L454-Y460 WeakPolarHBondContact CA-OH 3.4Å; V455-Y460 PolarHBondContact N-OH 3.04Å; H458-Y460 HydrophobicContact CB-CE2 4.21Å; H458-Y460 AromaticContact CD2-CE2 3.61Å; H458-Y460 AromaticContact CD2-CZ 3.73Å; Y460-L476 HydrophobicContact CD1-CB 4.43Å; Y460-K477 WeakPolarHBondContact CA-O 3.4Å; Y460-N478 HydrophobicContact CD1-CB 4.08Å; Y460-N478 HydrophobicContact CE1-CB 3.79Å; Y460-F520 HydrophobicContact CD1-CE1 4.08Å; Y460-F520 AromaticContact CD1-CZ 3.9Å; Y460-F520 HydrophobicContact CD1-CZ 3.9Å; Y460-F520 AromaticContact CE1-CE1 3.87Å; Y460-F520 HydrophobicContact CE1-CE1 3.87Å; Y460-F520 AromaticContact CE1-CZ 3.77Å; Y460-F520 HydrophobicContact CE1-CZ 3.77Å; Y460-Y531 AromaticContact CD2-CE1 3.59Å; Y460-Y531 HydrophobicContact CD2-CE1 3.59Å; Y460-Y531 HydrophobicContact CE2-CE1 4.05Å; Y460-Y531 HydrophobicContact CG-CE1 4.08Å
461A97.3Very high94.2Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-82.4130177.300000111.2A294 A297 I298 L463 L476 K477A294-A461 HydrophobicContact CB-CB 4.47Å; A297-A461 HydrophobicContact CB-CB 3.97Å; I298-A461 HydrophobicContact CB-CB 4.24Å; A461-L463 HydrophobicContact CB-CD2 4.22Å; A461-L463 PolarHBondContact O-N 2.92Å; A461-L476 CarbonylContact O-C 3.48Å; A461-L476 WeakPolarHBondContact O-CA 3.24Å; A461-K477 HydrophobicContact CB-CB 4.43Å; A461-K477 PolarHBondContact N-O 3.34Å; A461-K477 PolarHBondContact O-N 3.06Å
462V97.8Very high94.3Very high4 Ų435.4 Ų35.42%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-85.997.8177.9172.80000109.7I298 I437 I465 I474 Q475 L476I298-V462 WeakPolarHBondContact CD1-O 3.41Å; I437-V462 HydrophobicContact CB-CB 3.93Å; I437-V462 HydrophobicContact CB-CG1 4.31Å; I437-V462 HydrophobicContact CB-CG2 4.22Å; I437-V462 HydrophobicContact CG2-CB 3.96Å; I437-V462 HydrophobicContact CG2-CG1 4.31Å; I437-V462 HydrophobicContact CG2-CG2 3.71Å; I437-V462 WeakPolarHBondContact O-CB 3.48Å; I437-V462 PolarHBondContact O-N 3.04Å; I437-V462 VanDerWaalsContact O-N 3.16Å; V462-I465 HydrophobicContact CG1-CD1 4.11Å; V462-I465 HydrophobicContact CG1-CG1 3.82Å; V462-I474 HydrophobicContact CB-CG2 4.45Å; V462-I474 HydrophobicContact CG1-CG2 3.79Å; V462-I474 HydrophobicContact CG2-CG2 4.03Å; V462-Q475 CarbonylContact C-O 3.53Å; V462-Q475 WeakPolarHBondContact CA-O 3.4Å; V462-L476 HydrophobicContact CB-CD2 4.36Å; V462-L476 HydrophobicContact CG2-CD2 3.54Å
463L94.3Very high94.5Very high6 Ų632.1 Ų32.13%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-83.3-25.1-172.9-64.1-168.2000114.4F280 A301 R305 F430 A461 Q475 K477 I519F280-L463 HydrophobicContact CE1-CD1 4.28Å; A301-L463 HydrophobicContact CB-CD2 3.84Å; R305-L463 PolarHBondContact NH2-O 3.31Å; F430-L463 WeakPolarHBondContact CZ-O 3.09Å; A461-L463 HydrophobicContact CB-CD2 4.22Å; A461-L463 PolarHBondContact O-N 2.92Å; L463-Q475 HydrophobicContact CB-CG 4.32Å; L463-Q475 PolarHBondContact N-O 2.89Å; L463-K477 HydrophobicContact CD1-CB 3.75Å; L463-K477 HydrophobicContact CD1-CD 4.46Å; L463-K477 HydrophobicContact CG-CB 4.01Å; L463-I519 HydrophobicContact CD1-CD1 3.83Å; L463-I519 HydrophobicContact CD1-CG1 4.4Å; L463-I519 HydrophobicContact CD1-CG2 4.45Å
464D94.6Very high94.7Very high8 Ų832.3 Ų32.34%0.04317%0.172CC..EExtended strand (participates in β ladder)trans-158.5158.3173.8-152.328.9000112.4R305 F430 H431 R466 Q475 W521R305-D464 IonicContact CZ-OD1 2.72Å; R305-D464 VanDerWaalsContact CZ-OD1 3.26Å; R305-D464 IonicContact NH1-OD1 2.69Å; R305-D464 PolarHBondContact NH1-OD1 2.98Å; R305-D464 VanDerWaalsContact NH2-CG 3.34Å; R305-D464 IonicContact NH2-OD1 3.81Å; R305-D464 PolarHBondContact NH2-OD1 3.39Å; F430-D464 WeakPolarHBondContact CE1-OD1 3.46Å; H431-D464 IonicContact CE1-OD1 2.71Å; H431-D464 PolarHBondContact CE1-OD1 2.82Å; D464-R466 IonicContact OD1-NE 2.69Å; D464-R466 IonicContact OD2-CZ 2.68Å; D464-R466 IonicContact OD2-NE 2.89Å; D464-R466 PolarHBondContact OD2-NE 2.83Å; D464-R466 IonicContact OD2-NH2 3.19Å; D464-R466 PolarHBondContact OD2-NH2 2.92Å; D464-Q475 HydrophobicContact CB-CB 4.02Å; D464-Q475 PolarHBondContact O-N 2.72Å; D464-W521 HydrophobicContact CB-CH2 3.91Å
465I96.4Very high94.8Very high1 Ų133.8 Ų33.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-133.6129.4177.7-54.3-175.4000108.6F423 L426 Y427 F430 H431 I437 V462 I474F423-I465 HydrophobicContact CD2-CG2 4.47Å; F423-I465 HydrophobicContact CE2-CG2 3.62Å; F423-I465 HydrophobicContact CZ-CG2 3.79Å; L426-I465 HydrophobicContact CB-CD1 3.89Å; Y427-I465 HydrophobicContact CD2-CB 4.29Å; Y427-I465 HydrophobicContact CD2-CG2 3.79Å; Y427-I465 HydrophobicContact CG-CG2 4.39Å; F430-I465 HydrophobicContact CB-CD1 3.89Å; F430-I465 HydrophobicContact CD1-CB 4.21Å; F430-I465 HydrophobicContact CD1-CD1 4.23Å; F430-I465 HydrophobicContact CD1-CG1 3.97Å; F430-I465 HydrophobicContact CD2-CD1 4.48Å; F430-I465 HydrophobicContact CE1-CG1 4.35Å; F430-I465 HydrophobicContact CG-CD1 3.95Å; F430-I465 HydrophobicContact CG-CG1 4.16Å; H431-I465 PolarHBondContact CE1-O 3.45Å; H431-I465 PolarHBondContact NE2-O 3.28Å; I437-I465 HydrophobicContact CD1-CD1 3.71Å; V462-I465 HydrophobicContact CG1-CD1 4.11Å; V462-I465 HydrophobicContact CG1-CG1 3.82Å; I465-I474 HydrophobicContact CB-CD1 4.33Å; I465-I474 HydrophobicContact CD1-CD1 4.32Å; I465-I474 HydrophobicContact CG1-CD1 3.99Å; I465-I474 HydrophobicContact CG2-CD1 3.78Å
466R95.4Very high95Very high48 Ų4833.2 Ų33.218%0.18118%0.175CC..EExtended strand (participates in β ladder)trans-140.8154.3-172.9-68.2-64.7176.5116.317.2113.3D464 F473 Y504 L505 W521D464-R466 IonicContact OD1-NE 2.69Å; D464-R466 IonicContact OD2-CZ 2.68Å; D464-R466 IonicContact OD2-NE 2.89Å; D464-R466 PolarHBondContact OD2-NE 2.83Å; D464-R466 IonicContact OD2-NH2 3.19Å; D464-R466 PolarHBondContact OD2-NH2 2.92Å; R466-F473 HydrophobicContact CB-CB 4.5Å; R466-F473 PolarHBondContact N-O 3.38Å; R466-F473 PolarHBondContact O-N 2.68Å; R466-Y504 HydrophobicContact CB-CE1 4.09Å; R466-L505 HydrophobicContact CB-CD2 3.45Å; R466-L505 VanDerWaalsContact CB-CD2 3.45Å; R466-L505 HydrophobicContact CG-CD2 3.91Å; R466-W521 HydrophobicContact CB-CH2 4.18Å; R466-W521 HydrophobicContact CB-CZ3 4.14Å; R466-W521 HydrophobicContact CG-CH2 3.51Å; R466-W521 HydrophobicContact CG-CZ2 4.48Å; R466-W521 HydrophobicContact CG-CZ3 3.95Å
467E94.7Very high95.1Very high86 Ų8631.3 Ų31.340%0.40216%0.163SC..EExtended strand (participates in β ladder)trans-135.2126.6174.9-169.5177.7150.800110F423 L471 R472 Y504F423-E467 HydrophobicContact CE1-CB 4.32Å; F423-E467 HydrophobicContact CZ-CB 4.46Å; E467-L471 CarbonylContact C-O 3.52Å; E467-L471 VanDerWaalsContact CA-O 3.29Å; E467-L471 WeakPolarHBondContact CA-O 3.08Å; E467-R472 HydrophobicContact CG-CG 4.14Å; E467-Y504 PolarHBondContact O-OH 3.37Å; E467-Y504 VanDerWaalsContact O-OH 3.08Å
468F93.4Very high95.3Very high33 Ų3327 Ų2715%0.14514%0.136CC..EExtended strand (participates in β ladder)trans-135.2117.1-176.9-175.3-104.6000111G470 L471 F473 E500 L501 Y504F468-G470 PolarHBondContact O-N 2.85Å; F468-G470 VanDerWaalsContact O-N 3.09Å; F468-L471 PolarHBondContact N-O 2.99Å; F468-L471 WeakPolarHBondContact O-CB 3.41Å; F468-L471 PolarHBondContact O-N 2.78Å; F468-F473 HydrophobicContact CB-CE2 4.3Å; F468-E500 HydrophobicContact CE1-CB 4.37Å; F468-E500 HydrophobicContact CZ-CB 3.88Å; F468-L501 HydrophobicContact CB-CD1 3.94Å; F468-L501 HydrophobicContact CD1-CB 4.43Å; F468-L501 HydrophobicContact CD1-CD1 3.56Å; F468-L501 HydrophobicContact CE1-CB 4.35Å; F468-L501 HydrophobicContact CE1-CD1 4.29Å; F468-L501 HydrophobicContact CG-CD1 3.91Å; F468-Y504 HydrophobicContact CB-CD1 3.56Å; F468-Y504 HydrophobicContact CB-CE1 3.71Å; F468-Y504 HydrophobicContact CB-CG 4.33Å; F468-Y504 AromaticContact CD2-CD1 3.42Å; F468-Y504 HydrophobicContact CD2-CD1 3.42Å; F468-Y504 VanDerWaalsContact CD2-CD1 3.42Å; F468-Y504 AromaticContact CD2-CD2 3.74Å; F468-Y504 HydrophobicContact CD2-CD2 3.74Å; F468-Y504 HydrophobicContact CD2-CE1 4.04Å; F468-Y504 HydrophobicContact CD2-CE2 4.3Å; F468-Y504 AromaticContact CD2-CG 3.27Å; F468-Y504 HydrophobicContact CD2-CG 3.27Å; F468-Y504 HydrophobicContact CE2-CD1 4.35Å; F468-Y504 HydrophobicContact CE2-CD2 4.17Å; F468-Y504 AromaticContact CE2-CG 3.8Å; F468-Y504 HydrophobicContact CE2-CG 3.8Å; F468-Y504 AromaticContact CG-CD1 3.74Å; F468-Y504 HydrophobicContact CG-CD1 3.74Å; F468-Y504 HydrophobicContact CG-CE1 4.3Å; F468-Y504 HydrophobicContact CG-CG 4.04Å
469K92.8Very high95Very high149 Ų14926.7 Ų26.765%0.64814%0.135SC*.THydrogen-bonded Turntrans4936.7-179.9-59.9-176.4178.3179.10112.8L471 E500K469-L471 VanDerWaalsContact C-N 3.34Å; K469-L471 PolarHBondContact O-N 3.2Å; K469-E500 IonicContact NZ-OE1 3.78Å; K469-E500 PolarHBondContact NZ-OE1 2.82Å; K469-E500 IonicContact NZ-OE2 2.91Å; K469-E500 PolarHBondContact NZ-OE2 2.72Å
470G90.9Very high94.5Very high52 Ų5230.3 Ų30.354%0.53615%0.148SC..THydrogen-bonded Turntrans84.5-9-177.600000115.9F468F468-G470 PolarHBondContact O-N 2.85Å; F468-G470 VanDerWaalsContact O-N 3.09Å
471L95.1Very high93.7Very high82 Ų8230.9 Ų30.943%0.42915%0.153SC..EExtended strand (participates in β ladder)trans-80.4136170.7-60.9174.1000110.1E467 F468 K469 F473E467-L471 CarbonylContact C-O 3.52Å; E467-L471 VanDerWaalsContact CA-O 3.29Å; E467-L471 WeakPolarHBondContact CA-O 3.08Å; F468-L471 PolarHBondContact N-O 2.99Å; F468-L471 WeakPolarHBondContact O-CB 3.41Å; F468-L471 PolarHBondContact O-N 2.78Å; K469-L471 VanDerWaalsContact C-N 3.34Å; K469-L471 PolarHBondContact O-N 3.2Å; L471-F473 HydrophobicContact CB-CD2 4.4Å; L471-F473 HydrophobicContact CB-CE2 3.41Å; L471-F473 VanDerWaalsContact CB-CE2 3.41Å; L471-F473 HydrophobicContact CB-CZ 3.63Å; L471-F473 HydrophobicContact CD1-CZ 4.13Å
472R97.6Very high92.7Very high48 Ų4835.5 Ų35.518%0.18117%0.174CC..EExtended strand (participates in β ladder)trans-115.5130.7-171.3-64.9174.9-61.9-161.72.8110.2D420 F423 E467 S523 W524 D525D420-R472 IonicContact OD1-NH1 2.78Å; D420-R472 PolarHBondContact OD1-NH1 2.87Å; F423-R472 HydrophobicContact CD1-CB 4.39Å; F423-R472 HydrophobicContact CD1-CG 3.93Å; F423-R472 HydrophobicContact CD2-CB 4.11Å; F423-R472 HydrophobicContact CE1-CB 4.04Å; F423-R472 HydrophobicContact CE1-CG 3.67Å; F423-R472 HydrophobicContact CE2-CB 3.73Å; F423-R472 HydrophobicContact CE2-CG 4.28Å; F423-R472 HydrophobicContact CG-CB 4.43Å; F423-R472 HydrophobicContact CG-CG 4.35Å; F423-R472 HydrophobicContact CZ-CB 3.69Å; F423-R472 HydrophobicContact CZ-CG 3.86Å; E467-R472 HydrophobicContact CG-CG 4.14Å; R472-S523 CarbonylContact O-C 3.56Å; R472-S523 WeakPolarHBondContact O-CA 3.42Å; R472-W524 HydrophobicContact CB-CB 3.67Å; R472-W524 HydrophobicContact CB-CG 4.44Å; R472-W524 PolarHBondContact O-N 2.97Å; R472-D525 IonicContact CZ-OD2 2.78Å; R472-D525 IonicContact NH2-OD1 2.78Å; R472-D525 IonicContact NH2-OD2 2.67Å; R472-D525 PolarHBondContact NH2-OD2 2.89Å
473F97.8Very high92.1Very high1 Ų137.4 Ų37.40%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-135.2144.5-169.5-59.2-85.8000112.8R466 F468 L471 Y489 L501 L505 W521 I522R466-F473 HydrophobicContact CB-CB 4.5Å; R466-F473 PolarHBondContact N-O 3.38Å; R466-F473 PolarHBondContact O-N 2.68Å; F468-F473 HydrophobicContact CB-CE2 4.3Å; L471-F473 HydrophobicContact CB-CD2 4.4Å; L471-F473 HydrophobicContact CB-CE2 3.41Å; L471-F473 VanDerWaalsContact CB-CE2 3.41Å; L471-F473 HydrophobicContact CB-CZ 3.63Å; L471-F473 HydrophobicContact CD1-CZ 4.13Å; F473-Y489 HydrophobicContact CD1-CD2 4.42Å; F473-Y489 AromaticContact CE1-CD1 3.84Å; F473-Y489 HydrophobicContact CE1-CD1 3.84Å; F473-Y489 AromaticContact CE1-CD2 3.75Å; F473-Y489 HydrophobicContact CE1-CD2 3.75Å; F473-Y489 AromaticContact CE1-CE1 3.78Å; F473-Y489 HydrophobicContact CE1-CE1 3.78Å; F473-Y489 AromaticContact CE1-CE2 3.69Å; F473-Y489 HydrophobicContact CE1-CE2 3.69Å; F473-Y489 AromaticContact CE1-CG 3.82Å; F473-Y489 HydrophobicContact CE1-CG 3.82Å; F473-Y489 AromaticContact CE1-CZ 3.71Å; F473-Y489 HydrophobicContact CZ-CD1 4.45Å; F473-Y489 HydrophobicContact CZ-CE1 4.03Å; F473-Y489 HydrophobicContact CZ-CE2 4.39Å; F473-Y489 AromaticContact CZ-CZ 4Å; F473-L501 HydrophobicContact CE1-CD2 4.35Å; F473-L501 HydrophobicContact CE2-CD1 3.66Å; F473-L501 HydrophobicContact CZ-CD1 3.71Å; F473-L501 HydrophobicContact CZ-CD2 3.84Å; F473-L501 HydrophobicContact CZ-CG 4.38Å; F473-L505 HydrophobicContact CB-CD1 4.14Å; F473-L505 HydrophobicContact CB-CD2 3.94Å; F473-L505 HydrophobicContact CD1-CD1 3.62Å; F473-L505 HydrophobicContact CD2-CD1 3.84Å; F473-L505 HydrophobicContact CD2-CD2 3.8Å; F473-L505 HydrophobicContact CD2-CG 4.28Å; F473-L505 HydrophobicContact CE1-CD1 3.85Å; F473-L505 HydrophobicContact CE2-CD1 4.05Å; F473-L505 HydrophobicContact CE2-CD2 4.49Å; F473-L505 HydrophobicContact CG-CD1 3.6Å; F473-L505 HydrophobicContact CG-CD2 3.95Å; F473-L505 HydrophobicContact CG-CG 4.38Å; F473-L505 HydrophobicContact CZ-CD1 4.06Å; F473-W521 HydrophobicContact CB-CE3 3.8Å; F473-W521 HydrophobicContact CB-CZ3 4.06Å; F473-I522 WeakPolarHBondContact CA-O 3.48Å
474I97.9Very high91.9Very high4 Ų437.7 Ų37.72%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-123.4131.2175.5-52.1-63.5000107.9F423 V462 I465 L476 W521 I522 W524 L527F423-I474 HydrophobicContact CD2-CD1 4.32Å; F423-I474 HydrophobicContact CE2-CD1 3.96Å; V462-I474 HydrophobicContact CB-CG2 4.45Å; V462-I474 HydrophobicContact CG1-CG2 3.79Å; V462-I474 HydrophobicContact CG2-CG2 4.03Å; I465-I474 HydrophobicContact CB-CD1 4.33Å; I465-I474 HydrophobicContact CD1-CD1 4.32Å; I465-I474 HydrophobicContact CG1-CD1 3.99Å; I465-I474 HydrophobicContact CG2-CD1 3.78Å; I474-L476 HydrophobicContact CG2-CD2 3.78Å; I474-L476 HydrophobicContact CG2-CG 4.14Å; I474-W521 VanDerWaalsContact C-CE3 3.5Å; I474-I522 HydrophobicContact CB-CG2 4.18Å; I474-I522 PolarHBondContact N-O 2.89Å; I474-I522 PolarHBondContact O-N 3.15Å; I474-W524 HydrophobicContact CD1-CE3 4.05Å; I474-W524 HydrophobicContact CG1-CE3 3.93Å; I474-L527 HydrophobicContact CB-CD1 3.94Å; I474-L527 HydrophobicContact CG1-CD1 3.93Å; I474-L527 HydrophobicContact CG2-CD1 3.87Å
475Q96.6Very high91.9Very high35 Ų3537.4 Ų37.416%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-93.2124.1169.2-173.2176.282.600108.9V462 L463 D464 I519 F520 W521V462-Q475 CarbonylContact C-O 3.53Å; V462-Q475 WeakPolarHBondContact CA-O 3.4Å; L463-Q475 HydrophobicContact CB-CG 4.32Å; L463-Q475 PolarHBondContact N-O 2.89Å; D464-Q475 HydrophobicContact CB-CB 4.02Å; D464-Q475 PolarHBondContact O-N 2.72Å; Q475-I519 HydrophobicContact CG-CG2 3.85Å; Q475-F520 WeakPolarHBondContact CA-O 3.35Å; Q475-W521 HydrophobicContact CB-CD2 3.96Å; Q475-W521 HydrophobicContact CB-CE3 3.7Å; Q475-W521 HydrophobicContact CB-CH2 3.83Å; Q475-W521 HydrophobicContact CB-CZ2 4.08Å; Q475-W521 HydrophobicContact CB-CZ3 3.65Å; Q475-W521 HydrophobicContact CG-CD2 4.4Å
476L96.3Very high91.9Very high0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-113.8144.4179.2-65.5-177.8000110.8A439 Y460 A461 V462 I474 I519 F520 I522 L527 Y531A439-L476 HydrophobicContact CB-CD2 4.46Å; Y460-L476 HydrophobicContact CD1-CB 4.43Å; A461-L476 CarbonylContact O-C 3.48Å; A461-L476 WeakPolarHBondContact O-CA 3.24Å; V462-L476 HydrophobicContact CB-CD2 4.36Å; V462-L476 HydrophobicContact CG2-CD2 3.54Å; I474-L476 HydrophobicContact CG2-CD2 3.78Å; I474-L476 HydrophobicContact CG2-CG 4.14Å; L476-I519 VanDerWaalsContact O-CA 3.31Å; L476-I519 WeakPolarHBondContact O-CA 3.41Å; L476-F520 HydrophobicContact CB-CD2 4.31Å; L476-F520 HydrophobicContact CB-CE1 4.26Å; L476-F520 HydrophobicContact CB-CE2 3.81Å; L476-F520 HydrophobicContact CB-CZ 3.78Å; L476-F520 HydrophobicContact CD1-CE2 3.83Å; L476-F520 HydrophobicContact CD1-CZ 4.03Å; L476-F520 HydrophobicContact CG-CE2 4.27Å; L476-F520 PolarHBondContact N-O 2.63Å; L476-F520 PolarHBondContact O-N 3.09Å; L476-I522 HydrophobicContact CD1-CG2 3.91Å; L476-I522 HydrophobicContact CG-CG2 4.22Å; L476-L527 HydrophobicContact CD1-CD1 4.07Å; L476-L527 HydrophobicContact CD2-CD1 4.43Å; L476-Y531 HydrophobicContact CD1-CE1 3.98Å; L476-Y531 HydrophobicContact CD1-CE2 4.16Å; L476-Y531 WeakPolarHBondContact CD1-OH 3.23Å
477K93.4Very high91.8Very high1 Ų140.5 Ų40.50%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-110.4126.4162.4176.3179.9164.699.20110.1S279 I282 A297 Y460 A461 L463 S481 I519S279-K477 WeakPolarHBondContact O-CD 3.22Å; S279-K477 WeakPolarHBondContact O-CE 3.43Å; S279-K477 PolarHBondContact O-NZ 3.27Å; I282-K477 WeakPolarHBondContact O-CE 3.17Å; I282-K477 PolarHBondContact O-NZ 3.41Å; A297-K477 HydrophobicContact CB-CD 4.17Å; Y460-K477 WeakPolarHBondContact CA-O 3.4Å; A461-K477 HydrophobicContact CB-CB 4.43Å; A461-K477 PolarHBondContact N-O 3.34Å; A461-K477 PolarHBondContact O-N 3.06Å; L463-K477 HydrophobicContact CD1-CB 3.75Å; L463-K477 HydrophobicContact CD1-CD 4.46Å; L463-K477 HydrophobicContact CG-CB 4.01Å; K477-S481 PolarHBondContact NZ-OG 2.85Å; K477-I519 HydrophobicContact CB-CD1 4.36Å; K477-I519 HydrophobicContact CB-CG1 3.84Å; K477-I519 HydrophobicContact CD-CD1 4.31Å; K477-I519 HydrophobicContact CD-CG1 4.38Å; K477-I519 HydrophobicContact CG-CD1 4.31Å; K477-I519 HydrophobicContact CG-CG1 3.85Å
478N93.3Very high91.8Very high0 Ų041.3 Ų41.30%020%0.2CC..  trans-73.6121.8160.4-172.2-16.5000109.5H458 Y460 W480 S481 H482 L483 G518H458-N478 PolarHBondContact NE2-OD1 3.22Å; Y460-N478 HydrophobicContact CD1-CB 4.08Å; Y460-N478 HydrophobicContact CE1-CB 3.79Å; N478-W480 PolarHBondContact O-N 3.49Å; N478-W480 VanDerWaalsContact O-N 3.15Å; N478-W480 WeakPolarHBondContact OD1-CB 3.36Å; N478-W480 PolarHBondContact OD1-N 3.22Å; N478-W480 VanDerWaalsContact OD1-N 3.12Å; N478-S481 PolarHBondContact O-N 3.04Å; N478-H482 PolarHBondContact ND2-O 3.32Å; N478-L483 PolarHBondContact ND2-O 2.84Å; N478-G518 WeakPolarHBondContact CB-O 3.25Å; N478-G518 PolarHBondContact N-O 2.84Å
479P87.9Confident91.9Very high1 Ų140.3 Ų40.31%0.00620%0.196CC..THydrogen-bonded Turntrans-54.4-29.8176.8-29.537.1000114.7Q284 V293 A294 A459 S481Q284-P479 HydrophobicContact CB-CB 4.17Å; Q284-P479 PolarHBondContact N-O 2.81Å; V293-P479 HydrophobicContact CB-CB 3.97Å; V293-P479 HydrophobicContact CG1-CB 3.93Å; A294-P479 HydrophobicContact CB-CG 3.78Å; A459-P479 WeakPolarHBondContact O-CD 3.31Å; A459-P479 VanDerWaalsContact O-CG 3.3Å; A459-P479 WeakPolarHBondContact O-CG 3.33Å; P479-S481 PolarHBondContact O-N 3.31Å; P479-S481 VanDerWaalsContact O-N 3.11Å
480W84.7Confident91.9Very high77 Ų7733.4 Ų33.429%0.29217%0.166SC..THydrogen-bonded Turntrans-64.8-12176.1-63.3-1000113.5V455 H458 N478 H482V455-W480 HydrophobicContact CB-CH2 4.35Å; V455-W480 HydrophobicContact CB-CZ3 4.48Å; V455-W480 HydrophobicContact CG1-CH2 3.45Å; V455-W480 VanDerWaalsContact CG1-CH2 3.45Å; V455-W480 HydrophobicContact CG1-CZ2 3.91Å; V455-W480 HydrophobicContact CG1-CZ3 4.02Å; V455-W480 HydrophobicContact CG2-CE3 3.96Å; V455-W480 HydrophobicContact CG2-CH2 3.88Å; V455-W480 HydrophobicContact CG2-CZ3 3.55Å; H458-W480 AromaticContact CE1-CD1 3.72Å; H458-W480 AromaticContact CE1-CE2 3.63Å; H458-W480 AromaticContact CE1-NE1 3.31Å; H458-W480 PolarHBondContact CE1-NE1 3.42Å; H458-W480 VanDerWaalsContact CE1-NE1 3.31Å; N478-W480 PolarHBondContact O-N 3.49Å; N478-W480 VanDerWaalsContact O-N 3.15Å; N478-W480 WeakPolarHBondContact OD1-CB 3.36Å; N478-W480 PolarHBondContact OD1-N 3.22Å; N478-W480 VanDerWaalsContact OD1-N 3.12Å; W480-H482 PolarHBondContact O-N 3.08Å; W480-H482 VanDerWaalsContact O-N 3.13Å; W480-H482 PolarHBondContact O-ND1 3.46Å
481S78.8Confident91.8Very high13 Ų1331.9 Ų31.99%0.09115%0.145CC..SBendtrans53.827.1-177.5-56.50000114.7I282 K477 N478 P479 N517 G518I282-S481 PolarHBondContact O-OG 3.39Å; K477-S481 PolarHBondContact NZ-OG 2.85Å; N478-S481 PolarHBondContact O-N 3.04Å; P479-S481 PolarHBondContact O-N 3.31Å; P479-S481 VanDerWaalsContact O-N 3.11Å; S481-N517 VanDerWaalsContact C-C 3.41Å; S481-N517 WeakPolarHBondContact CA-O 3.46Å; S481-N517 CarbonylContact O-C 3.17Å; S481-N517 WeakPolarHBondContact O-CA 3.27Å; S481-G518 PolarHBondContact O-N 2.93Å
482H77Confident91.6Very high97 Ų9732.6 Ų32.645%0.44915%0.149SC..  trans-150.6175.6166.266.5-79.8000108.5N478 W480 D516N478-H482 PolarHBondContact ND2-O 3.32Å; W480-H482 PolarHBondContact O-N 3.08Å; W480-H482 VanDerWaalsContact O-N 3.13Å; W480-H482 PolarHBondContact O-ND1 3.46Å; H482-D516 VanDerWaalsContact CA-OD2 3.26Å; H482-D516 WeakPolarHBondContact CA-OD2 3.26Å
483L84.4Confident91.3Very high43 Ų4331.3 Ų31.323%0.22515%0.146CC..  trans61.397.9-175.5-170.172000112.6V455 N478 D516V455-L483 HydrophobicContact CG2-CD2 3.73Å; N478-L483 PolarHBondContact ND2-O 2.84Å; L483-D516 PolarHBondContact N-OD2 2.87Å
484R91.2Very high90.8Very high13 Ų1337.6 Ų37.65%0.04918%0.184CC..  trans-104.1155.6176.1-64.8-175.3-65.3-132-10.8112.4G453 K486 E491 A512 I515 D516 I519 F520G453-R484 VanDerWaalsContact CA-O 3.28Å; G453-R484 WeakPolarHBondContact CA-O 3.44Å; G453-R484 CarbonylContact O-C 3.55Å; R484-K486 PolarHBondContact O-N 2.85Å; R484-E491 IonicContact CZ-OE1 3.37Å; R484-E491 VanDerWaalsContact NE-CD 3.29Å; R484-E491 IonicContact NE-OE1 2.72Å; R484-E491 PolarHBondContact NE-OE1 2.86Å; R484-E491 IonicContact NE-OE2 2.77Å; R484-E491 VanDerWaalsContact NH2-CD 3.35Å; R484-E491 IonicContact NH2-OE1 3.63Å; R484-E491 PolarHBondContact NH2-OE1 2.93Å; R484-A512 VanDerWaalsContact CZ-O 3.31Å; R484-A512 PolarHBondContact NH1-O 2.87Å; R484-A512 VanDerWaalsContact NH1-O 3.08Å; R484-A512 PolarHBondContact NH2-O 3.12Å; R484-I515 PolarHBondContact NH1-O 3.29Å; R484-D516 WeakPolarHBondContact CG-OD1 3.47Å; R484-D516 IonicContact CZ-OD1 3.37Å; R484-D516 IonicContact NE-OD1 3.64Å; R484-D516 IonicContact NH1-OD1 3.64Å; R484-I519 WeakPolarHBondContact CD-O 3.4Å; R484-F520 HydrophobicContact CB-CB 4.1Å; R484-F520 HydrophobicContact CB-CD1 3.93Å; R484-F520 HydrophobicContact CB-CG 4.31Å; R484-F520 HydrophobicContact CG-CB 4.26Å; R484-F520 HydrophobicContact CG-CD1 4.02Å
485W94.7Very high90.5Very high2 Ų246.1 Ų46.11%0.00822%0.221CC..  trans-48.8128.8168.7169.6-113.3000112.9W452 G453 L454 G487 R488 S490 F520 I522 D526 Y530W452-W485 HydrophobicContact CB-CE3 4.29Å; W452-W485 HydrophobicContact CB-CZ3 3.93Å; W452-W485 HydrophobicContact CD2-CZ3 4.44Å; W452-W485 HydrophobicContact CE3-CH2 4.23Å; W452-W485 HydrophobicContact CE3-CZ3 4.26Å; W452-W485 HydrophobicContact CG-CZ3 4.34Å; W452-W485 CarbonylContact O-C 3.58Å; W452-W485 WeakPolarHBondContact O-CA 3.36Å; W452-W485 VanDerWaalsContact O-CE3 3.31Å; G453-W485 PolarHBondContact O-N 3.11Å; L454-W485 HydrophobicContact CD1-CE3 4.13Å; L454-W485 HydrophobicContact CD1-CZ3 4.05Å; L454-W485 HydrophobicContact CD2-CE3 4.18Å; L454-W485 HydrophobicContact CG-CE3 4.1Å; L454-W485 HydrophobicContact CG-CZ3 4.47Å; W485-G487 VanDerWaalsContact CE2-CA 3.49Å; W485-R488 PolarHBondContact NE1-O 2.94Å; W485-S490 WeakPolarHBondContact O-CB 3.25Å; W485-F520 HydrophobicContact CB-CB 4.35Å; W485-F520 HydrophobicContact CB-CD1 4.4Å; W485-F520 HydrophobicContact CB-CD2 3.27Å; W485-F520 HydrophobicContact CB-CE2 3.45Å; W485-F520 VanDerWaalsContact CB-CE2 3.45Å; W485-F520 HydrophobicContact CB-CG 3.78Å; W485-F520 HydrophobicContact CB-CZ 4.1Å; W485-F520 HydrophobicContact CG-CD2 4.14Å; W485-F520 HydrophobicContact CG-CE2 4.32Å; W485-I522 HydrophobicContact CD2-CD1 3.78Å; W485-I522 HydrophobicContact CD2-CG1 4.2Å; W485-I522 HydrophobicContact CE3-CD1 3.94Å; W485-I522 HydrophobicContact CG-CD1 4.3Å; W485-I522 HydrophobicContact CG-CG1 4.45Å; W485-I522 HydrophobicContact CH2-CD1 4.22Å; W485-I522 HydrophobicContact CZ2-CD1 4.06Å; W485-I522 HydrophobicContact CZ2-CG1 4.19Å; W485-I522 HydrophobicContact CZ3-CD1 4.15Å; W485-D526 HydrophobicContact CH2-CB 4.14Å; W485-D526 HydrophobicContact CZ2-CB 3.86Å; W485-Y530 AromaticContact CH2-CD2 3.67Å; W485-Y530 HydrophobicContact CH2-CD2 3.67Å; W485-Y530 AromaticContact CH2-CE2 3.55Å; W485-Y530 HydrophobicContact CH2-CE2 3.55Å; W485-Y530 AromaticContact CZ3-CD2 3.81Å; W485-Y530 HydrophobicContact CZ3-CD2 3.81Å; W485-Y530 HydrophobicContact CZ3-CE2 4.03Å; W485-Y530 HydrophobicContact CZ3-CG 4.34Å
486K94.9Very high90.4Very high102 Ų10247.3 Ų47.344%0.44323%0.229SC..  trans-103.10.1-176.3-62.4176.1-175.2175.50113.9E450 W452 R484E450-K486 WeakPolarHBondContact O-CD 3.39Å; E450-K486 WeakPolarHBondContact O-CE 3.47Å; E450-K486 PolarHBondContact O-NZ 2.83Å; W452-K486 PolarHBondContact O-N 3.38Å; R484-K486 PolarHBondContact O-N 2.85Å
487G94.6Very high90.2Very high12 Ų1248.3 Ų48.312%0.12423%0.232CC..SBendtrans-84.4-146.9-178.600000113.7W485 S490W485-G487 VanDerWaalsContact CE2-CA 3.49Å; G487-S490 WeakPolarHBondContact O-CB 3.44Å; G487-S490 PolarHBondContact O-N 2.91Å; G487-S490 PolarHBondContact O-OG 2.85Å
488R94.8Very high90.1Very high103 Ų10351.2 Ų51.239%0.38925%0.25SS..THydrogen-bonded Turntrans-61.7137.5178-63.3-173.5-66.6168.2-7.6111W485 S490 D493 S523 D526W485-R488 PolarHBondContact NE1-O 2.94Å; R488-S490 PolarHBondContact O-N 2.63Å; R488-D493 VanDerWaalsContact CA-OD2 3.28Å; R488-D493 WeakPolarHBondContact CA-OD2 3.37Å; R488-S523 PolarHBondContact NH2-OG 2.63Å; R488-D526 IonicContact CZ-OD1 3.37Å; R488-D526 IonicContact CZ-OD2 3.37Å; R488-D526 IonicContact NE-OD1 2.62Å; R488-D526 PolarHBondContact NE-OD1 2.93Å; R488-D526 IonicContact NE-OD2 3.34Å; R488-D526 PolarHBondContact NE-OD2 3.47Å; R488-D526 IonicContact NH2-OD1 3.1Å; R488-D526 PolarHBondContact NH2-OD1 3.01Å; R488-D526 IonicContact NH2-OD2 3.45Å; R488-D526 PolarHBondContact NH2-OD2 3.44Å; R488-D526 VanDerWaalsContact NH2-OD2 3.14Å
489Y94.4Very high89.8Confident12 Ų1256.2 Ų56.25%0.04728%0.282CS..THydrogen-bonded Turntrans64.218.9-175.9-43.6-78.6000114.7F473 D493 N496 W497 L501F473-Y489 HydrophobicContact CD1-CD2 4.42Å; F473-Y489 AromaticContact CE1-CD1 3.84Å; F473-Y489 HydrophobicContact CE1-CD1 3.84Å; F473-Y489 AromaticContact CE1-CD2 3.75Å; F473-Y489 HydrophobicContact CE1-CD2 3.75Å; F473-Y489 AromaticContact CE1-CE1 3.78Å; F473-Y489 HydrophobicContact CE1-CE1 3.78Å; F473-Y489 AromaticContact CE1-CE2 3.69Å; F473-Y489 HydrophobicContact CE1-CE2 3.69Å; F473-Y489 AromaticContact CE1-CG 3.82Å; F473-Y489 HydrophobicContact CE1-CG 3.82Å; F473-Y489 AromaticContact CE1-CZ 3.71Å; F473-Y489 HydrophobicContact CZ-CD1 4.45Å; F473-Y489 HydrophobicContact CZ-CE1 4.03Å; F473-Y489 HydrophobicContact CZ-CE2 4.39Å; F473-Y489 AromaticContact CZ-CZ 4Å; Y489-D493 PolarHBondContact N-OD2 3.04Å; Y489-N496 HydrophobicContact CD1-CB 3.96Å; Y489-N496 HydrophobicContact CE1-CB 3.5Å; Y489-N496 WeakPolarHBondContact CE1-O 3.49Å; Y489-W497 HydrophobicContact CD1-CD2 4.4Å; Y489-W497 VanDerWaalsContact O-CZ2 3.22Å; Y489-W497 WeakPolarHBondContact O-CZ2 3.3Å; Y489-W497 PolarHBondContact O-NE1 3.22Å; Y489-L501 HydrophobicContact CD1-CD2 3.77Å; Y489-L501 HydrophobicContact CE1-CD2 3.48Å; Y489-L501 VanDerWaalsContact CE1-CD2 3.48Å
490S94Very high89.9Confident3 Ų361.3 Ų61.32%0.02131%0.306CS..SBendtrans-67.8170163.862.70000112W485 G487 R488 N492 D493 W497W485-S490 WeakPolarHBondContact O-CB 3.25Å; G487-S490 WeakPolarHBondContact O-CB 3.44Å; G487-S490 PolarHBondContact O-N 2.91Å; G487-S490 PolarHBondContact O-OG 2.85Å; R488-S490 PolarHBondContact O-N 2.63Å; S490-N492 PolarHBondContact O-N 2.79Å; S490-N492 PolarHBondContact OG-N 3.34Å; S490-D493 PolarHBondContact O-N 3.13Å; S490-D493 PolarHBondContact OG-N 2.95Å; S490-W497 PolarHBondContact O-NE1 2.93Å
491E88.1Confident90.1Very high21 Ų2157.8 Ų57.810%0.09829%0.293CS..THydrogen-bonded Turntrans-64.4-14.7172.271.8-86.9-144.300113.6R484 F507 P509 A512 Q513R484-E491 IonicContact CZ-OE1 3.37Å; R484-E491 VanDerWaalsContact NE-CD 3.29Å; R484-E491 IonicContact NE-OE1 2.72Å; R484-E491 PolarHBondContact NE-OE1 2.86Å; R484-E491 IonicContact NE-OE2 2.77Å; R484-E491 VanDerWaalsContact NH2-CD 3.35Å; R484-E491 IonicContact NH2-OE1 3.63Å; R484-E491 PolarHBondContact NH2-OE1 2.93Å; E491-F507 HydrophobicContact CB-CZ 4.19Å; E491-P509 WeakPolarHBondContact O-CB 3.28Å; E491-A512 HydrophobicContact CB-CB 3.66Å; E491-Q513 HydrophobicContact CB-CG 4.15Å; E491-Q513 HydrophobicContact CG-CG 3.93Å; E491-Q513 PolarHBondContact O-NE2 2.86Å
492N90.4Very high90.4Very high96 Ų9660.2 Ų60.251%0.51330%0.303SS..THydrogen-bonded Turntrans-102.4-1.5179.9-63-60.1000113.1S490 V494S490-N492 PolarHBondContact O-N 2.79Å; S490-N492 PolarHBondContact OG-N 3.34Å; N492-V494 PolarHBondContact O-N 2.84Å; N492-V494 VanDerWaalsContact O-N 3.08Å
493D92.2Very high90.4Very high21 Ų2164 Ų6411%0.11232%0.318CS..  trans-81.187.9-177.5-174.7-4.9000112.7R488 Y489 S490 K495 N496 W497R488-D493 VanDerWaalsContact CA-OD2 3.28Å; R488-D493 WeakPolarHBondContact CA-OD2 3.37Å; Y489-D493 PolarHBondContact N-OD2 3.04Å; S490-D493 PolarHBondContact O-N 3.13Å; S490-D493 PolarHBondContact OG-N 2.95Å; D493-K495 PolarHBondContact O-N 2.83Å; D493-K495 VanDerWaalsContact O-N 3.16Å; D493-K495 WeakPolarHBondContact OD1-CA 3.45Å; D493-K495 WeakPolarHBondContact OD1-CB 2.98Å; D493-K495 PolarHBondContact OD1-N 2.77Å; D493-N496 VanDerWaalsContact CG-ND2 3.35Å; D493-N496 PolarHBondContact OD1-N 3.03Å; D493-N496 PolarHBondContact OD1-ND2 2.94Å; D493-N496 VanDerWaalsContact OD1-ND2 3.15Å; D493-N496 VanDerWaalsContact OD2-CB 3.29Å; D493-N496 WeakPolarHBondContact OD2-CB 3.39Å; D493-N496 PolarHBondContact OD2-ND2 2.84Å; D493-W497 VanDerWaalsContact O-CD1 3.3Å
494V87.4Confident90.3Very high133 Ų13365.5 Ų65.581%0.80632%0.321SS*.THydrogen-bonded Turntrans-72.13.4175.3-58.10000114.6N492N492-V494 PolarHBondContact O-N 2.84Å; N492-V494 VanDerWaalsContact O-N 3.08Å
495K92.4Very high89.9Confident183 Ų18364.9 Ų64.980%0.79632%0.319SS*.THydrogen-bonded Turntrans-111.7-46.3-172.8-66.3-176.6178.71790114.2D493D493-K495 PolarHBondContact O-N 2.83Å; D493-K495 VanDerWaalsContact O-N 3.16Å; D493-K495 WeakPolarHBondContact OD1-CA 3.45Å; D493-K495 WeakPolarHBondContact OD1-CB 2.98Å; D493-K495 PolarHBondContact OD1-N 2.77Å
496N92.9Very high88.7Confident61 Ų6166.2 Ų66.233%0.32633%0.326SS..THydrogen-bonded Turntrans-92.7-16.6-173.2-55.7-89.6000113.5Y489 D493 T498Y489-N496 HydrophobicContact CD1-CB 3.96Å; Y489-N496 HydrophobicContact CE1-CB 3.5Å; Y489-N496 WeakPolarHBondContact CE1-O 3.49Å; D493-N496 VanDerWaalsContact CG-ND2 3.35Å; D493-N496 PolarHBondContact OD1-N 3.03Å; D493-N496 PolarHBondContact OD1-ND2 2.94Å; D493-N496 VanDerWaalsContact OD1-ND2 3.15Å; D493-N496 VanDerWaalsContact OD2-CB 3.29Å; D493-N496 WeakPolarHBondContact OD2-CB 3.39Å; D493-N496 PolarHBondContact OD2-ND2 2.84Å; N496-T498 PolarHBondContact O-N 2.84Å
497W92.2Very high88Confident21 Ų2162.8 Ų62.88%0.0831%0.311CS..  trans-76.8109.5173.6-78.8120.6000111.8Y489 S490 D493 L501 Q502 L505 F507 P509 W521Y489-W497 HydrophobicContact CD1-CD2 4.4Å; Y489-W497 VanDerWaalsContact O-CZ2 3.22Å; Y489-W497 WeakPolarHBondContact O-CZ2 3.3Å; Y489-W497 PolarHBondContact O-NE1 3.22Å; S490-W497 PolarHBondContact O-NE1 2.93Å; D493-W497 VanDerWaalsContact O-CD1 3.3Å; W497-L501 HydrophobicContact CE3-CB 4.46Å; W497-L501 HydrophobicContact CE3-CD2 3.93Å; W497-L501 HydrophobicContact CE3-CG 4.02Å; W497-L501 HydrophobicContact CZ3-CD2 4.08Å; W497-L501 HydrophobicContact CZ3-CG 3.89Å; W497-Q502 HydrophobicContact CB-CG 4.03Å; W497-Q502 HydrophobicContact CD2-CG 4.11Å; W497-Q502 HydrophobicContact CE3-CB 4.49Å; W497-Q502 HydrophobicContact CE3-CG 3.67Å; W497-Q502 HydrophobicContact CG-CG 4.28Å; W497-Q502 HydrophobicContact CZ3-CG 4.45Å; W497-L505 HydrophobicContact CH2-CB 4.36Å; W497-L505 HydrophobicContact CH2-CD1 3.79Å; W497-L505 HydrophobicContact CZ3-CB 4.24Å; W497-L505 HydrophobicContact CZ3-CD1 3.85Å; W497-F507 HydrophobicContact CD2-CD1 4.34Å; W497-F507 AromaticContact CE2-CD1 3.59Å; W497-F507 AromaticContact CE2-CE1 3.75Å; W497-F507 HydrophobicContact CH2-CB 3.88Å; W497-F507 AromaticContact CH2-CD1 3.59Å; W497-F507 HydrophobicContact CH2-CD1 3.59Å; W497-F507 HydrophobicContact CH2-CE1 4.36Å; W497-F507 AromaticContact CH2-CG 3.94Å; W497-F507 HydrophobicContact CH2-CG 3.94Å; W497-F507 HydrophobicContact CZ2-CB 4.37Å; W497-F507 AromaticContact CZ2-CD1 3.18Å; W497-F507 HydrophobicContact CZ2-CD1 3.18Å; W497-F507 AromaticContact CZ2-CE1 3.53Å; W497-F507 HydrophobicContact CZ2-CE1 3.53Å; W497-F507 AromaticContact CZ2-CG 3.92Å; W497-F507 HydrophobicContact CZ2-CG 3.92Å; W497-F507 HydrophobicContact CZ2-CZ 4.48Å; W497-F507 HydrophobicContact CZ3-CB 4.33Å; W497-F507 HydrophobicContact CZ3-CD1 4.28Å; W497-F507 AromaticContact NE1-CE1 3.8Å; W497-P509 HydrophobicContact CG-CG 4.15Å; W497-W521 HydrophobicContact CH2-CB 4.35Å; W497-W521 AromaticContact CH2-CD1 4Å; W497-W521 HydrophobicContact CH2-CG 4.35Å; W497-W521 HydrophobicContact CZ2-CB 4.44Å
498T91.8Very high87.2Confident62 Ų6265.3 Ų65.338%0.3832%0.322SS..  trans-92.6155.1166.670.90000110.7N496 E500 L501 Q502N496-T498 PolarHBondContact O-N 2.84Å; T498-E500 PolarHBondContact O-N 2.91Å; T498-L501 PolarHBondContact O-N 3.16Å; T498-L501 VanDerWaalsContact O-N 3.09Å; T498-L501 WeakPolarHBondContact OG1-CB 3.39Å; T498-L501 PolarHBondContact OG1-N 2.89Å; T498-Q502 WeakPolarHBondContact O-CB 3.19Å; T498-Q502 WeakPolarHBondContact O-CG 3.35Å; T498-Q502 PolarHBondContact O-N 2.9Å
499P88.1Confident86.6Confident104 Ų10461 Ų6168%0.67531%0.307SS*.Hα-helixtrans-58.5-33.8176.4-26.835.9000113.7K503P499-K503 WeakPolarHBondContact O-CB 3.35Å; P499-K503 PolarHBondContact O-N 3.02Å
500E88.5Confident85.8Confident109 Ų10969.5 Ų69.551%0.50934%0.339SS..Hα-helixtrans-65.3-44.7173.9-58.1179.5134.400112F468 K469 T498 K503 Y504F468-E500 HydrophobicContact CE1-CB 4.37Å; F468-E500 HydrophobicContact CZ-CB 3.88Å; K469-E500 IonicContact NZ-OE1 3.78Å; K469-E500 PolarHBondContact NZ-OE1 2.82Å; K469-E500 IonicContact NZ-OE2 2.91Å; K469-E500 PolarHBondContact NZ-OE2 2.72Å; T498-E500 PolarHBondContact O-N 2.91Å; E500-K503 PolarHBondContact O-N 2.88Å; E500-Y504 WeakPolarHBondContact O-CB 3.32Å; E500-Y504 PolarHBondContact O-N 3.09Å
501L89.7Confident84.6Confident3 Ų372.4 Ų72.42%0.01636%0.357CS..Hα-helixtrans-70.6-40.6-179.8-176.769.8000110.9F468 F473 Y489 W497 T498 K503 Y504 L505F468-L501 HydrophobicContact CB-CD1 3.94Å; F468-L501 HydrophobicContact CD1-CB 4.43Å; F468-L501 HydrophobicContact CD1-CD1 3.56Å; F468-L501 HydrophobicContact CE1-CB 4.35Å; F468-L501 HydrophobicContact CE1-CD1 4.29Å; F468-L501 HydrophobicContact CG-CD1 3.91Å; F473-L501 HydrophobicContact CE1-CD2 4.35Å; F473-L501 HydrophobicContact CE2-CD1 3.66Å; F473-L501 HydrophobicContact CZ-CD1 3.71Å; F473-L501 HydrophobicContact CZ-CD2 3.84Å; F473-L501 HydrophobicContact CZ-CG 4.38Å; Y489-L501 HydrophobicContact CD1-CD2 3.77Å; Y489-L501 HydrophobicContact CE1-CD2 3.48Å; Y489-L501 VanDerWaalsContact CE1-CD2 3.48Å; W497-L501 HydrophobicContact CE3-CB 4.46Å; W497-L501 HydrophobicContact CE3-CD2 3.93Å; W497-L501 HydrophobicContact CE3-CG 4.02Å; W497-L501 HydrophobicContact CZ3-CD2 4.08Å; W497-L501 HydrophobicContact CZ3-CG 3.89Å; T498-L501 PolarHBondContact O-N 3.16Å; T498-L501 VanDerWaalsContact O-N 3.09Å; T498-L501 WeakPolarHBondContact OG1-CB 3.39Å; T498-L501 PolarHBondContact OG1-N 2.89Å; L501-K503 PolarHBondContact O-N 2.71Å; L501-Y504 PolarHBondContact O-N 3.27Å; L501-L505 HydrophobicContact CD1-CD1 3.79Å; L501-L505 HydrophobicContact CD1-CG 3.76Å; L501-L505 HydrophobicContact CD2-CD1 4.49Å; L501-L505 HydrophobicContact CG-CD1 4.04Å; L501-L505 HydrophobicContact CG-CG 4.27Å; L501-L505 WeakPolarHBondContact O-CB 3.15Å; L501-L505 PolarHBondContact O-N 2.88Å
502Q84.6Confident84Confident63 Ų6372 Ų7229%0.29436%0.357SS..Iπ-helixtrans-58-32170.1-76.6178.6-13.800111.9W497 T498 N506 F507W497-Q502 HydrophobicContact CB-CG 4.03Å; W497-Q502 HydrophobicContact CD2-CG 4.11Å; W497-Q502 HydrophobicContact CE3-CB 4.49Å; W497-Q502 HydrophobicContact CE3-CG 3.67Å; W497-Q502 HydrophobicContact CG-CG 4.28Å; W497-Q502 HydrophobicContact CZ3-CG 4.45Å; T498-Q502 WeakPolarHBondContact O-CB 3.19Å; T498-Q502 WeakPolarHBondContact O-CG 3.35Å; T498-Q502 PolarHBondContact O-N 2.9Å; Q502-N506 CarbonylContact O-C 3.55Å; Q502-N506 WeakPolarHBondContact O-CA 3.45Å; Q502-N506 PolarHBondContact O-N 2.88Å; Q502-F507 PolarHBondContact O-N 3.43Å
503K78.1Confident83.4Confident178 Ų17872.5 Ų72.577%0.77436%0.356SS*.Iπ-helixtrans-83.3-30.7173.3-174.4169.3-177.8171.20113.6P499 E500 L501 N506P499-K503 WeakPolarHBondContact O-CB 3.35Å; P499-K503 PolarHBondContact O-N 3.02Å; E500-K503 PolarHBondContact O-N 2.88Å; L501-K503 PolarHBondContact O-N 2.71Å; K503-N506 VanDerWaalsContact O-CB 3.24Å; K503-N506 WeakPolarHBondContact O-CB 3.5Å
504Y80.9Confident82.6Confident74 Ų7479.6 Ų79.629%0.2939%0.387SS..Iπ-helixtrans-84.4-51.5-176.3173.1-90.1000114.1R466 E467 F468 E500 L501 N506R466-Y504 HydrophobicContact CB-CE1 4.09Å; E467-Y504 PolarHBondContact O-OH 3.37Å; E467-Y504 VanDerWaalsContact O-OH 3.08Å; F468-Y504 HydrophobicContact CB-CD1 3.56Å; F468-Y504 HydrophobicContact CB-CE1 3.71Å; F468-Y504 HydrophobicContact CB-CG 4.33Å; F468-Y504 AromaticContact CD2-CD1 3.42Å; F468-Y504 HydrophobicContact CD2-CD1 3.42Å; F468-Y504 VanDerWaalsContact CD2-CD1 3.42Å; F468-Y504 AromaticContact CD2-CD2 3.74Å; F468-Y504 HydrophobicContact CD2-CD2 3.74Å; F468-Y504 HydrophobicContact CD2-CE1 4.04Å; F468-Y504 HydrophobicContact CD2-CE2 4.3Å; F468-Y504 AromaticContact CD2-CG 3.27Å; F468-Y504 HydrophobicContact CD2-CG 3.27Å; F468-Y504 HydrophobicContact CE2-CD1 4.35Å; F468-Y504 HydrophobicContact CE2-CD2 4.17Å; F468-Y504 AromaticContact CE2-CG 3.8Å; F468-Y504 HydrophobicContact CE2-CG 3.8Å; F468-Y504 AromaticContact CG-CD1 3.74Å; F468-Y504 HydrophobicContact CG-CD1 3.74Å; F468-Y504 HydrophobicContact CG-CE1 4.3Å; F468-Y504 HydrophobicContact CG-CG 4.04Å; E500-Y504 WeakPolarHBondContact O-CB 3.32Å; E500-Y504 PolarHBondContact O-N 3.09Å; L501-Y504 PolarHBondContact O-N 3.27Å; Y504-N506 PolarHBondContact O-N 3.41Å
505L83.1Confident81.8Confident0 Ų078.2 Ų78.20%037%0.373CS..Iπ-helixtrans-67.6-28.1165.5-64.7-175.8000109.7R466 F473 W497 L501 W521R466-L505 HydrophobicContact CB-CD2 3.45Å; R466-L505 VanDerWaalsContact CB-CD2 3.45Å; R466-L505 HydrophobicContact CG-CD2 3.91Å; F473-L505 HydrophobicContact CB-CD1 4.14Å; F473-L505 HydrophobicContact CB-CD2 3.94Å; F473-L505 HydrophobicContact CD1-CD1 3.62Å; F473-L505 HydrophobicContact CD2-CD1 3.84Å; F473-L505 HydrophobicContact CD2-CD2 3.8Å; F473-L505 HydrophobicContact CD2-CG 4.28Å; F473-L505 HydrophobicContact CE1-CD1 3.85Å; F473-L505 HydrophobicContact CE2-CD1 4.05Å; F473-L505 HydrophobicContact CE2-CD2 4.49Å; F473-L505 HydrophobicContact CG-CD1 3.6Å; F473-L505 HydrophobicContact CG-CD2 3.95Å; F473-L505 HydrophobicContact CG-CG 4.38Å; F473-L505 HydrophobicContact CZ-CD1 4.06Å; W497-L505 HydrophobicContact CH2-CB 4.36Å; W497-L505 HydrophobicContact CH2-CD1 3.79Å; W497-L505 HydrophobicContact CZ3-CB 4.24Å; W497-L505 HydrophobicContact CZ3-CD1 3.85Å; L501-L505 HydrophobicContact CD1-CD1 3.79Å; L501-L505 HydrophobicContact CD1-CG 3.76Å; L501-L505 HydrophobicContact CD2-CD1 4.49Å; L501-L505 HydrophobicContact CG-CD1 4.04Å; L501-L505 HydrophobicContact CG-CG 4.27Å; L501-L505 WeakPolarHBondContact O-CB 3.15Å; L501-L505 PolarHBondContact O-N 2.88Å; L505-W521 HydrophobicContact CB-CD2 4.35Å; L505-W521 HydrophobicContact CB-CZ2 4.11Å; L505-W521 HydrophobicContact CD1-CD2 4.18Å; L505-W521 HydrophobicContact CD1-CE3 4.44Å; L505-W521 HydrophobicContact CD1-CG 4.27Å; L505-W521 HydrophobicContact CD2-CD2 4.44Å; L505-W521 HydrophobicContact CD2-CE3 4.23Å; L505-W521 HydrophobicContact CD2-CH2 4.09Å; L505-W521 HydrophobicContact CD2-CZ2 4.28Å; L505-W521 HydrophobicContact CD2-CZ3 4.06Å; L505-W521 WeakPolarHBondContact O-CZ2 3.26Å
506N70.7Confident81.2Confident30 Ų3072.7 Ų72.716%0.1635%0.353CS..Iπ-helixtrans67.283.1170.5133.583.6000108.9M45 Q502 K503 Y504M45-N506 WeakPolarHBondContact CA-OD1 3.46Å; M45-N506 WeakPolarHBondContact CB-ND2 3.27Å; M45-N506 VanDerWaalsContact CB-OD1 3.25Å; M45-N506 WeakPolarHBondContact CB-OD1 3.07Å; M45-N506 WeakPolarHBondContact CE-O 3.44Å; M45-N506 WeakPolarHBondContact CE-OD1 3.45Å; M45-N506 VanDerWaalsContact CG-ND2 3.25Å; M45-N506 WeakPolarHBondContact CG-ND2 3Å; M45-N506 WeakPolarHBondContact CG-OD1 3.3Å; M45-N506 VanDerWaalsContact SD-CG 3.59Å; M45-N506 PolarHBondContact SD-ND2 2.93Å; M45-N506 PolarHBondContact SD-OD1 2.85Å; M45-N506 VanDerWaalsContact SD-OD1 3.41Å; Q502-N506 CarbonylContact O-C 3.55Å; Q502-N506 WeakPolarHBondContact O-CA 3.45Å; Q502-N506 PolarHBondContact O-N 2.88Å; K503-N506 VanDerWaalsContact O-CB 3.24Å; K503-N506 WeakPolarHBondContact O-CB 3.5Å; Y504-N506 PolarHBondContact O-N 3.41Å
507F79.6Confident80.4Confident29 Ų2972.4 Ų72.413%0.12735%0.351CS..  trans-158.3118.9-169.2177.5-97.4000108.1E491 W497 Q502 P509 A512 W521E491-F507 HydrophobicContact CB-CZ 4.19Å; W497-F507 HydrophobicContact CD2-CD1 4.34Å; W497-F507 AromaticContact CE2-CD1 3.59Å; W497-F507 AromaticContact CE2-CE1 3.75Å; W497-F507 HydrophobicContact CH2-CB 3.88Å; W497-F507 AromaticContact CH2-CD1 3.59Å; W497-F507 HydrophobicContact CH2-CD1 3.59Å; W497-F507 HydrophobicContact CH2-CE1 4.36Å; W497-F507 AromaticContact CH2-CG 3.94Å; W497-F507 HydrophobicContact CH2-CG 3.94Å; W497-F507 HydrophobicContact CZ2-CB 4.37Å; W497-F507 AromaticContact CZ2-CD1 3.18Å; W497-F507 HydrophobicContact CZ2-CD1 3.18Å; W497-F507 AromaticContact CZ2-CE1 3.53Å; W497-F507 HydrophobicContact CZ2-CE1 3.53Å; W497-F507 AromaticContact CZ2-CG 3.92Å; W497-F507 HydrophobicContact CZ2-CG 3.92Å; W497-F507 HydrophobicContact CZ2-CZ 4.48Å; W497-F507 HydrophobicContact CZ3-CB 4.33Å; W497-F507 HydrophobicContact CZ3-CD1 4.28Å; W497-F507 AromaticContact NE1-CE1 3.8Å; Q502-F507 PolarHBondContact O-N 3.43Å; F507-P509 HydrophobicContact CD1-CG 4.02Å; F507-P509 HydrophobicContact CE1-CB 4.21Å; F507-P509 HydrophobicContact CE1-CG 3.9Å; F507-P509 WeakPolarHBondContact O-CD 3.32Å; F507-A512 HydrophobicContact CE1-CB 4.49Å; F507-A512 HydrophobicContact CE2-CB 3.91Å; F507-A512 HydrophobicContact CZ-CB 3.68Å; F507-W521 AromaticContact CD2-CD1 3.85Å; F507-W521 AromaticContact CG-CD1 3.95Å
508D78.1Confident80.2Confident66 Ų6671.4 Ų71.435%0.35335%0.347SS..  trans-96.3111.6169.7170.732.5000110.1R510 T511 A512D508-R510 PolarHBondContact O-N 3.35Å; D508-R510 VanDerWaalsContact OD1-CB 3.31Å; D508-R510 WeakPolarHBondContact OD1-CB 3.47Å; D508-R510 PolarHBondContact OD1-N 2.9Å; D508-T511 PolarHBondContact O-N 3.27Å; D508-T511 WeakPolarHBondContact OD2-CB 3.44Å; D508-T511 PolarHBondContact OD2-N 2.87Å; D508-T511 PolarHBondContact OD2-OG1 2.95Å; D508-A512 WeakPolarHBondContact O-CB 3.45Å; D508-A512 PolarHBondContact O-N 2.79Å; D508-A512 VanDerWaalsContact O-N 3.07Å
509P81.1Confident80.1Confident12 Ų1269.1 Ų69.18%0.07833%0.333CS..Hα-helixtrans-58.6-30.1173.9-23.334.2000113.4E491 W497 F507 A512 Q513E491-P509 WeakPolarHBondContact O-CB 3.28Å; W497-P509 HydrophobicContact CG-CG 4.15Å; F507-P509 HydrophobicContact CD1-CG 4.02Å; F507-P509 HydrophobicContact CE1-CB 4.21Å; F507-P509 HydrophobicContact CE1-CG 3.9Å; F507-P509 WeakPolarHBondContact O-CD 3.32Å; P509-A512 PolarHBondContact O-N 2.91Å; P509-Q513 WeakPolarHBondContact O-CB 3.39Å; P509-Q513 VanDerWaalsContact O-CG 3.23Å; P509-Q513 WeakPolarHBondContact O-CG 3.41Å; P509-Q513 PolarHBondContact O-N 3.13Å
510R77.4Confident80.3Confident190 Ų19064.3 Ų64.372%0.71730%0.301SS*.Hα-helixtrans-71.5-38.9-176.2-57.7174.4173.7-177.2-1.2112.2D508 K514D508-R510 PolarHBondContact O-N 3.35Å; D508-R510 VanDerWaalsContact OD1-CB 3.31Å; D508-R510 WeakPolarHBondContact OD1-CB 3.47Å; D508-R510 PolarHBondContact OD1-N 2.9Å; R510-K514 WeakPolarHBondContact O-CG 3.36Å
511T69.5Low80.6Confident64 Ų6459.2 Ų59.239%0.39328%0.277SS..Hα-helixtrans-73.7-39.8173.3-61.60000110.5D508 Q513 K514 I515D508-T511 PolarHBondContact O-N 3.27Å; D508-T511 WeakPolarHBondContact OD2-CB 3.44Å; D508-T511 PolarHBondContact OD2-N 2.87Å; D508-T511 PolarHBondContact OD2-OG1 2.95Å; T511-Q513 PolarHBondContact O-N 2.93Å; T511-K514 PolarHBondContact O-N 2.94Å; T511-K514 VanDerWaalsContact O-N 3.09Å; T511-I515 PolarHBondContact O-N 3.49Å
512A75Confident81Confident12 Ų1259.1 Ų59.110%0.09928%0.277CS..Hα-helixtrans-58.8-43.8173.800000112.3R484 E491 F507 D508 P509 K514 I515R484-A512 VanDerWaalsContact CZ-O 3.31Å; R484-A512 PolarHBondContact NH1-O 2.87Å; R484-A512 VanDerWaalsContact NH1-O 3.08Å; R484-A512 PolarHBondContact NH2-O 3.12Å; E491-A512 HydrophobicContact CB-CB 3.66Å; F507-A512 HydrophobicContact CE1-CB 4.49Å; F507-A512 HydrophobicContact CE2-CB 3.91Å; F507-A512 HydrophobicContact CZ-CB 3.68Å; D508-A512 WeakPolarHBondContact O-CB 3.45Å; D508-A512 PolarHBondContact O-N 2.79Å; D508-A512 VanDerWaalsContact O-N 3.07Å; P509-A512 PolarHBondContact O-N 2.91Å; A512-K514 PolarHBondContact O-N 2.95Å; A512-K514 VanDerWaalsContact O-N 3.16Å; A512-I515 CarbonylContact O-C 3.57Å; A512-I515 PolarHBondContact O-N 3.02Å
513Q78.4Confident81.6Confident107 Ų10756.6 Ų56.650%0.527%0.266SS..Hα-helixtrans-56.8-28.2174.8-78.1169.713.800114.1E491 P509 T511E491-Q513 HydrophobicContact CB-CG 4.15Å; E491-Q513 HydrophobicContact CG-CG 3.93Å; E491-Q513 PolarHBondContact O-NE2 2.86Å; P509-Q513 WeakPolarHBondContact O-CB 3.39Å; P509-Q513 VanDerWaalsContact O-CG 3.23Å; P509-Q513 WeakPolarHBondContact O-CG 3.41Å; P509-Q513 PolarHBondContact O-N 3.13Å; T511-Q513 PolarHBondContact O-N 2.93Å
514K74.4Confident82.5Confident171 Ų17148.2 Ų48.274%0.74323%0.229SC*.Hα-helixtrans-84.3-29.3-179.7-65.7170.8-175.8176.30113.7R510 T511 A512R510-K514 WeakPolarHBondContact O-CG 3.36Å; T511-K514 PolarHBondContact O-N 2.94Å; T511-K514 VanDerWaalsContact O-N 3.09Å; A512-K514 PolarHBondContact O-N 2.95Å; A512-K514 VanDerWaalsContact O-N 3.16Å
515I72Confident83.1Confident103 Ų10347.5 Ų47.553%0.52823%0.231SC..  trans-134.7109.9-174-58.2177.9000108.8R484 T511 A512R484-I515 PolarHBondContact NH1-O 3.29Å; T511-I515 PolarHBondContact O-N 3.49Å; A512-I515 CarbonylContact O-C 3.57Å; A512-I515 PolarHBondContact O-N 3.02Å
516D79.8Confident83.7Confident68 Ų6848 Ų4836%0.36423%0.234SC..  trans-81131.4164.1-165.4-0.9000110.1H482 L483 R484 G518H482-D516 VanDerWaalsContact CA-OD2 3.26Å; H482-D516 WeakPolarHBondContact CA-OD2 3.26Å; L483-D516 PolarHBondContact N-OD2 2.87Å; R484-D516 WeakPolarHBondContact CG-OD1 3.47Å; R484-D516 IonicContact CZ-OD1 3.37Å; R484-D516 IonicContact NE-OD1 3.64Å; R484-D516 IonicContact NH1-OD1 3.64Å; D516-G518 PolarHBondContact OD1-N 2.85Å
517N75.9Confident84.8Confident55 Ų5546.7 Ų46.729%0.29423%0.226SC..  trans-133.69.1177.262.44.6000111.6S481 I519S481-N517 VanDerWaalsContact C-C 3.41Å; S481-N517 WeakPolarHBondContact CA-O 3.46Å; S481-N517 CarbonylContact O-C 3.17Å; S481-N517 WeakPolarHBondContact O-CA 3.27Å; N517-I519 VanDerWaalsContact C-N 3.27Å; N517-I519 PolarHBondContact O-N 2.88Å; N517-I519 WeakPolarHBondContact OD1-CB 3.5Å; N517-I519 PolarHBondContact OD1-N 2.82Å
518G86.7Confident85.5Confident0 Ų046 Ų460%023%0.225CC..SBendtrans72.19-176.500000115.1N478 S481 D516N478-G518 WeakPolarHBondContact CB-O 3.25Å; N478-G518 PolarHBondContact N-O 2.84Å; S481-G518 PolarHBondContact O-N 2.93Å; D516-G518 PolarHBondContact OD1-N 2.85Å
519I89.6Confident86.1Confident14 Ų1449 Ų497%0.07224%0.237CC..EExtended strand (participates in β ladder)trans-108.8129.6-174.7-56.6178.7000111.3F280 L463 Q475 L476 K477 R484 N517F280-I519 HydrophobicContact CD1-CD1 3.3Å; F280-I519 HydrophobicContact CE1-CD1 3.39Å; L463-I519 HydrophobicContact CD1-CD1 3.83Å; L463-I519 HydrophobicContact CD1-CG1 4.4Å; L463-I519 HydrophobicContact CD1-CG2 4.45Å; Q475-I519 HydrophobicContact CG-CG2 3.85Å; L476-I519 VanDerWaalsContact O-CA 3.31Å; L476-I519 WeakPolarHBondContact O-CA 3.41Å; K477-I519 HydrophobicContact CB-CD1 4.36Å; K477-I519 HydrophobicContact CB-CG1 3.84Å; K477-I519 HydrophobicContact CD-CD1 4.31Å; K477-I519 HydrophobicContact CD-CG1 4.38Å; K477-I519 HydrophobicContact CG-CD1 4.31Å; K477-I519 HydrophobicContact CG-CG1 3.85Å; R484-I519 WeakPolarHBondContact CD-O 3.4Å; N517-I519 VanDerWaalsContact C-N 3.27Å; N517-I519 PolarHBondContact O-N 2.88Å; N517-I519 WeakPolarHBondContact OD1-CB 3.5Å; N517-I519 PolarHBondContact OD1-N 2.82Å
520F93.3Very high86.7Confident3 Ų350.5 Ų50.51%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-148.2158.8-175.856-89.5000112.4L454 Y460 Q475 L476 R484 W485 I522L454-F520 HydrophobicContact CD2-CZ 4.35Å; Y460-F520 HydrophobicContact CD1-CE1 4.08Å; Y460-F520 AromaticContact CD1-CZ 3.9Å; Y460-F520 HydrophobicContact CD1-CZ 3.9Å; Y460-F520 AromaticContact CE1-CE1 3.87Å; Y460-F520 HydrophobicContact CE1-CE1 3.87Å; Y460-F520 AromaticContact CE1-CZ 3.77Å; Y460-F520 HydrophobicContact CE1-CZ 3.77Å; Q475-F520 WeakPolarHBondContact CA-O 3.35Å; L476-F520 HydrophobicContact CB-CD2 4.31Å; L476-F520 HydrophobicContact CB-CE1 4.26Å; L476-F520 HydrophobicContact CB-CE2 3.81Å; L476-F520 HydrophobicContact CB-CZ 3.78Å; L476-F520 HydrophobicContact CD1-CE2 3.83Å; L476-F520 HydrophobicContact CD1-CZ 4.03Å; L476-F520 HydrophobicContact CG-CE2 4.27Å; L476-F520 PolarHBondContact N-O 2.63Å; L476-F520 PolarHBondContact O-N 3.09Å; R484-F520 HydrophobicContact CB-CB 4.1Å; R484-F520 HydrophobicContact CB-CD1 3.93Å; R484-F520 HydrophobicContact CB-CG 4.31Å; R484-F520 HydrophobicContact CG-CB 4.26Å; R484-F520 HydrophobicContact CG-CD1 4.02Å; W485-F520 HydrophobicContact CB-CB 4.35Å; W485-F520 HydrophobicContact CB-CD1 4.4Å; W485-F520 HydrophobicContact CB-CD2 3.27Å; W485-F520 HydrophobicContact CB-CE2 3.45Å; W485-F520 VanDerWaalsContact CB-CE2 3.45Å; W485-F520 HydrophobicContact CB-CG 3.78Å; W485-F520 HydrophobicContact CB-CZ 4.1Å; W485-F520 HydrophobicContact CG-CD2 4.14Å; W485-F520 HydrophobicContact CG-CE2 4.32Å; F520-I522 HydrophobicContact CD2-CB 4.37Å; F520-I522 HydrophobicContact CE2-CB 4.36Å; F520-I522 HydrophobicContact CE2-CG2 4.48Å
521W95.6Very high87.4Confident2 Ų241.6 Ų41.61%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-93142165.3-71.4103.6000109.8D464 R466 F473 I474 Q475 W497 L505 F507D464-W521 HydrophobicContact CB-CH2 3.91Å; R466-W521 HydrophobicContact CB-CH2 4.18Å; R466-W521 HydrophobicContact CB-CZ3 4.14Å; R466-W521 HydrophobicContact CG-CH2 3.51Å; R466-W521 HydrophobicContact CG-CZ2 4.48Å; R466-W521 HydrophobicContact CG-CZ3 3.95Å; F473-W521 HydrophobicContact CB-CE3 3.8Å; F473-W521 HydrophobicContact CB-CZ3 4.06Å; I474-W521 VanDerWaalsContact C-CE3 3.5Å; Q475-W521 HydrophobicContact CB-CD2 3.96Å; Q475-W521 HydrophobicContact CB-CE3 3.7Å; Q475-W521 HydrophobicContact CB-CH2 3.83Å; Q475-W521 HydrophobicContact CB-CZ2 4.08Å; Q475-W521 HydrophobicContact CB-CZ3 3.65Å; Q475-W521 HydrophobicContact CG-CD2 4.4Å; W497-W521 HydrophobicContact CH2-CB 4.35Å; W497-W521 AromaticContact CH2-CD1 4Å; W497-W521 HydrophobicContact CH2-CG 4.35Å; W497-W521 HydrophobicContact CZ2-CB 4.44Å; L505-W521 HydrophobicContact CB-CD2 4.35Å; L505-W521 HydrophobicContact CB-CZ2 4.11Å; L505-W521 HydrophobicContact CD1-CD2 4.18Å; L505-W521 HydrophobicContact CD1-CE3 4.44Å; L505-W521 HydrophobicContact CD1-CG 4.27Å; L505-W521 HydrophobicContact CD2-CD2 4.44Å; L505-W521 HydrophobicContact CD2-CE3 4.23Å; L505-W521 HydrophobicContact CD2-CH2 4.09Å; L505-W521 HydrophobicContact CD2-CZ2 4.28Å; L505-W521 HydrophobicContact CD2-CZ3 4.06Å; L505-W521 WeakPolarHBondContact O-CZ2 3.26Å; F507-W521 AromaticContact CD2-CD1 3.85Å; F507-W521 AromaticContact CG-CD1 3.95Å
522I96.9Very high88.5Confident0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-133.1147.3170.8-171.3167000108.9F473 I474 L476 W485 F520 D526 L527 Y531F473-I522 WeakPolarHBondContact CA-O 3.48Å; I474-I522 HydrophobicContact CB-CG2 4.18Å; I474-I522 PolarHBondContact N-O 2.89Å; I474-I522 PolarHBondContact O-N 3.15Å; L476-I522 HydrophobicContact CD1-CG2 3.91Å; L476-I522 HydrophobicContact CG-CG2 4.22Å; W485-I522 HydrophobicContact CD2-CD1 3.78Å; W485-I522 HydrophobicContact CD2-CG1 4.2Å; W485-I522 HydrophobicContact CE3-CD1 3.94Å; W485-I522 HydrophobicContact CG-CD1 4.3Å; W485-I522 HydrophobicContact CG-CG1 4.45Å; W485-I522 HydrophobicContact CH2-CD1 4.22Å; W485-I522 HydrophobicContact CZ2-CD1 4.06Å; W485-I522 HydrophobicContact CZ2-CG1 4.19Å; W485-I522 HydrophobicContact CZ3-CD1 4.15Å; F520-I522 HydrophobicContact CD2-CB 4.37Å; F520-I522 HydrophobicContact CE2-CB 4.36Å; F520-I522 HydrophobicContact CE2-CG2 4.48Å; I522-D526 HydrophobicContact CD1-CB 4.04Å; I522-D526 HydrophobicContact CG1-CB 3.78Å; I522-L527 HydrophobicContact CD1-CB 4.5Å; I522-L527 HydrophobicContact CG2-CB 4.24Å; I522-L527 HydrophobicContact CG2-CD1 4.07Å; I522-Y531 HydrophobicContact CD1-CE2 4.19Å
523S97.1Very high89.4Confident10 Ų1041.1 Ų41.17%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-71.8148.5173.486.60000110.4R472 R488 D525 D526 L527R472-S523 CarbonylContact O-C 3.56Å; R472-S523 WeakPolarHBondContact O-CA 3.42Å; R488-S523 PolarHBondContact NH2-OG 2.63Å; S523-D525 PolarHBondContact O-N 3.17Å; S523-D526 WeakPolarHBondContact CB-OD2 3.34Å; S523-D526 PolarHBondContact O-N 3.26Å; S523-D526 PolarHBondContact OG-N 3.04Å; S523-D526 VanDerWaalsContact OG-N 3.16Å; S523-D526 PolarHBondContact OG-OD2 2.74Å; S523-L527 PolarHBondContact O-N 3.35Å
524W96.6Very high90.2Very high2 Ų236.2 Ų36.21%0.00818%0.179CC..Hα-helixtrans-57.5-36.4178.1174.5-116.3000112.3M410 F417 K419 F423 L426 R472 I474 L527 C528 I534M410-W524 HydrophobicContact CE-CH2 3.75Å; M410-W524 HydrophobicContact CE-CZ2 4.28Å; M410-W524 HydrophobicContact CE-CZ3 4.11Å; F417-W524 HydrophobicContact CZ-CH2 4.48Å; F417-W524 HydrophobicContact CZ-CZ2 4.09Å; K419-W524 WeakPolarHBondContact O-CZ2 3.48Å; K419-W524 PolarHBondContact O-NE1 3.16Å; F423-W524 HydrophobicContact CB-CD2 4.17Å; F423-W524 HydrophobicContact CB-CG 4.33Å; F423-W524 HydrophobicContact CB-CZ2 4.21Å; F423-W524 HydrophobicContact CD2-CB 4.06Å; F423-W524 AromaticContact CD2-CD2 3.76Å; F423-W524 HydrophobicContact CD2-CD2 3.76Å; F423-W524 HydrophobicContact CD2-CE3 4.09Å; F423-W524 AromaticContact CD2-CG 3.75Å; F423-W524 HydrophobicContact CD2-CG 3.75Å; F423-W524 HydrophobicContact CE2-CB 4.39Å; F423-W524 HydrophobicContact CG-CD2 4.41Å; F423-W524 HydrophobicContact CG-CG 4.32Å; L426-W524 HydrophobicContact CD1-CH2 3.6Å; L426-W524 HydrophobicContact CD1-CZ3 3.81Å; R472-W524 HydrophobicContact CB-CB 3.67Å; R472-W524 HydrophobicContact CB-CG 4.44Å; R472-W524 PolarHBondContact O-N 2.97Å; I474-W524 HydrophobicContact CD1-CE3 4.05Å; I474-W524 HydrophobicContact CG1-CE3 3.93Å; W524-L527 HydrophobicContact CE3-CD2 4.49Å; W524-L527 HydrophobicContact CZ3-CD2 4.16Å; W524-L527 PolarHBondContact O-N 3.08Å; W524-C528 VanDerWaalsContact CZ2-SG 3.59Å; W524-C528 WeakPolarHBondContact O-CB 3.44Å; W524-C528 PolarHBondContact O-N 3.19Å; W524-C528 PolarHBondContact O-SG 3.34Å; W524-I534 HydrophobicContact CH2-CD1 3.62Å; W524-I534 HydrophobicContact CZ3-CD1 3.65Å
525D94.3Very high91.3Very high60 Ų6029.3 Ų29.332%0.32115%0.148SC..Hα-helixtrans-75.2-31.5-178.6-76.1-73.5000112.9K419 R472 S523 Q529K419-D525 WeakPolarHBondContact CD-OD1 3.46Å; K419-D525 IonicContact NZ-OD1 2.68Å; K419-D525 PolarHBondContact NZ-OD1 2.6Å; K419-D525 VanDerWaalsContact NZ-OD1 3.1Å; R472-D525 IonicContact CZ-OD2 2.78Å; R472-D525 IonicContact NH2-OD1 2.78Å; R472-D525 IonicContact NH2-OD2 2.67Å; R472-D525 PolarHBondContact NH2-OD2 2.89Å; S523-D525 PolarHBondContact O-N 3.17Å; D525-Q529 PolarHBondContact O-N 3.43Å
526D95.1Very high92.5Very high11 Ų1124.4 Ų24.46%0.05912%0.123CC..Hα-helixtrans-70.8-40.6167.9-59.1-48.9000111.1W485 R488 I522 S523 C528 Q529 Y530W485-D526 HydrophobicContact CH2-CB 4.14Å; W485-D526 HydrophobicContact CZ2-CB 3.86Å; R488-D526 IonicContact CZ-OD1 3.37Å; R488-D526 IonicContact CZ-OD2 3.37Å; R488-D526 IonicContact NE-OD1 2.62Å; R488-D526 PolarHBondContact NE-OD1 2.93Å; R488-D526 IonicContact NE-OD2 3.34Å; R488-D526 PolarHBondContact NE-OD2 3.47Å; R488-D526 IonicContact NH2-OD1 3.1Å; R488-D526 PolarHBondContact NH2-OD1 3.01Å; R488-D526 IonicContact NH2-OD2 3.45Å; R488-D526 PolarHBondContact NH2-OD2 3.44Å; R488-D526 VanDerWaalsContact NH2-OD2 3.14Å; I522-D526 HydrophobicContact CD1-CB 4.04Å; I522-D526 HydrophobicContact CG1-CB 3.78Å; S523-D526 WeakPolarHBondContact CB-OD2 3.34Å; S523-D526 PolarHBondContact O-N 3.26Å; S523-D526 PolarHBondContact OG-N 3.04Å; S523-D526 VanDerWaalsContact OG-N 3.16Å; S523-D526 PolarHBondContact OG-OD2 2.74Å; D526-C528 VanDerWaalsContact C-N 3.31Å; D526-C528 PolarHBondContact O-N 2.92Å; D526-Q529 WeakPolarHBondContact O-CA 3.25Å; D526-Q529 WeakPolarHBondContact O-CB 3.43Å; D526-Q529 PolarHBondContact O-N 2.99Å; D526-Y530 VanDerWaalsContact O-CD2 3.25Å; D526-Y530 WeakPolarHBondContact O-CD2 3.44Å; D526-Y530 PolarHBondContact O-N 2.91Å; D526-Y530 VanDerWaalsContact O-N 3.14Å
527L95.4Very high93.4Very high1 Ų121.1 Ų21.11%0.00511%0.106CC..Hα-helixtrans-59-45.6175.7-168156.1000110.4M410 A439 I474 L476 I522 S523 W524 Q529 Y530 Y531 I534M410-L527 HydrophobicContact CE-CD2 3.64Å; M410-L527 HydrophobicContact SD-CD2 3.75Å; A439-L527 HydrophobicContact CB-CD1 4.45Å; I474-L527 HydrophobicContact CB-CD1 3.94Å; I474-L527 HydrophobicContact CG1-CD1 3.93Å; I474-L527 HydrophobicContact CG2-CD1 3.87Å; L476-L527 HydrophobicContact CD1-CD1 4.07Å; L476-L527 HydrophobicContact CD2-CD1 4.43Å; I522-L527 HydrophobicContact CD1-CB 4.5Å; I522-L527 HydrophobicContact CG2-CB 4.24Å; I522-L527 HydrophobicContact CG2-CD1 4.07Å; S523-L527 PolarHBondContact O-N 3.35Å; W524-L527 HydrophobicContact CE3-CD2 4.49Å; W524-L527 HydrophobicContact CZ3-CD2 4.16Å; W524-L527 PolarHBondContact O-N 3.08Å; L527-Q529 PolarHBondContact O-N 2.81Å; L527-Y530 PolarHBondContact O-N 3.38Å; L527-Y531 HydrophobicContact CB-CD2 4.42Å; L527-Y531 HydrophobicContact CD2-CD2 4.35Å; L527-Y531 HydrophobicContact CD2-CG 4.15Å; L527-Y531 HydrophobicContact CG-CD2 3.76Å; L527-Y531 HydrophobicContact CG-CE2 4.29Å; L527-Y531 HydrophobicContact CG-CG 4Å; L527-Y531 WeakPolarHBondContact O-CB 3.24Å; L527-Y531 PolarHBondContact O-N 3.16Å; L527-I534 HydrophobicContact CD2-CD1 4.15Å
528C93.1Very high94.5Very high16 Ų1618.9 Ų18.911%0.1089%0.093CC..Hα-helixtrans-65.8-0.8173.1-62.50000115.2M410 K419 W524 D526M410-C528 HydrophobicContact CE-CB 4.08Å; M410-C528 WeakPolarHBondContact CE-SG 3.43Å; K419-C528 HydrophobicContact CD-CB 3.94Å; K419-C528 VanDerWaalsContact CE-CB 3.47Å; K419-C528 HydrophobicContact CG-CB 4.36Å; W524-C528 VanDerWaalsContact CZ2-SG 3.59Å; W524-C528 WeakPolarHBondContact O-CB 3.44Å; W524-C528 PolarHBondContact O-N 3.19Å; W524-C528 PolarHBondContact O-SG 3.34Å; D526-C528 VanDerWaalsContact C-N 3.31Å; D526-C528 PolarHBondContact O-N 2.92Å
529Q91.2Very high95Very high127 Ų12720.2 Ų20.259%0.59310%0.1SC*.Hα-helixtrans-105.6-32.9175.7179.7176.9-6.500112.4D525 D526 L527D525-Q529 PolarHBondContact O-N 3.43Å; D526-Q529 WeakPolarHBondContact O-CA 3.25Å; D526-Q529 WeakPolarHBondContact O-CB 3.43Å; D526-Q529 PolarHBondContact O-N 2.99Å; L527-Q529 PolarHBondContact O-N 2.81Å
530Y92.7Very high95.3Very high44 Ų4421.6 Ų21.617%0.17311%0.11CC..Hα-helixtrans-113-4-173.2-60.5-77.3000114.8W452 L454 W485 D526 L527W452-Y530 AromaticContact CD1-CE1 3.71Å; W452-Y530 HydrophobicContact CD2-CE1 4.4Å; W452-Y530 AromaticContact CE2-CZ 3.92Å; W452-Y530 HydrophobicContact CG-CE1 4.22Å; W452-Y530 WeakPolarHBondContact CZ2-OH 3.19Å; W452-Y530 AromaticContact NE1-CE1 3.54Å; W452-Y530 AromaticContact NE1-CZ 3.94Å; L454-Y530 HydrophobicContact CD1-CG 4.08Å; W485-Y530 AromaticContact CH2-CD2 3.67Å; W485-Y530 HydrophobicContact CH2-CD2 3.67Å; W485-Y530 AromaticContact CH2-CE2 3.55Å; W485-Y530 HydrophobicContact CH2-CE2 3.55Å; W485-Y530 AromaticContact CZ3-CD2 3.81Å; W485-Y530 HydrophobicContact CZ3-CD2 3.81Å; W485-Y530 HydrophobicContact CZ3-CE2 4.03Å; W485-Y530 HydrophobicContact CZ3-CG 4.34Å; D526-Y530 VanDerWaalsContact O-CD2 3.25Å; D526-Y530 WeakPolarHBondContact O-CD2 3.44Å; D526-Y530 PolarHBondContact O-N 2.91Å; D526-Y530 VanDerWaalsContact O-N 3.14Å; L527-Y530 PolarHBondContact O-N 3.38Å
531Y93.8Very high95.3Very high4 Ų424.5 Ų24.52%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-118.5130.8178.5-68-108.1000110.5M410 A439 T441 L454 Y460 L476 I522 L527M410-Y531 WeakPolarHBondContact CB-O 3.39Å; A439-Y531 HydrophobicContact CB-CD1 3.61Å; A439-Y531 HydrophobicContact CB-CE1 4Å; A439-Y531 HydrophobicContact CB-CG 4.41Å; T441-Y531 HydrophobicContact CG2-CD1 3.98Å; T441-Y531 HydrophobicContact CG2-CE1 3.75Å; T441-Y531 HydrophobicContact CG2-CE2 4.35Å; T441-Y531 HydrophobicContact CG2-CG 4.38Å; L454-Y531 HydrophobicContact CD1-CE2 4.28Å; L454-Y531 HydrophobicContact CD2-CE2 4.22Å; L454-Y531 WeakPolarHBondContact CD2-OH 3.45Å; Y460-Y531 AromaticContact CD2-CE1 3.59Å; Y460-Y531 HydrophobicContact CD2-CE1 3.59Å; Y460-Y531 HydrophobicContact CE2-CE1 4.05Å; Y460-Y531 HydrophobicContact CG-CE1 4.08Å; L476-Y531 HydrophobicContact CD1-CE1 3.98Å; L476-Y531 HydrophobicContact CD1-CE2 4.16Å; L476-Y531 WeakPolarHBondContact CD1-OH 3.23Å; I522-Y531 HydrophobicContact CD1-CE2 4.19Å; L527-Y531 HydrophobicContact CB-CD2 4.42Å; L527-Y531 HydrophobicContact CD2-CD2 4.35Å; L527-Y531 HydrophobicContact CD2-CG 4.15Å; L527-Y531 HydrophobicContact CG-CD2 3.76Å; L527-Y531 HydrophobicContact CG-CE2 4.29Å; L527-Y531 HydrophobicContact CG-CG 4Å; L527-Y531 WeakPolarHBondContact O-CB 3.24Å; L527-Y531 PolarHBondContact O-N 3.16Å
532D92Very high95.1Very high58 Ų5826.7 Ų26.731%0.3115%0.152SC..EExtended strand (participates in β ladder)trans-84.4-28.6-177.5-82.4-5.5000112.3M410 H411 S440 G442M410-D532 PolarHBondContact N-O 2.73Å; H411-D532 IonicContact CE1-OD1 2.66Å; H411-D532 PolarHBondContact CE1-OD1 2.93Å; H411-D532 IonicContact CE1-OD2 3.86Å; H411-D532 PolarHBondContact CE1-OD2 3.39Å; H411-D532 IonicContact ND1-OD1 2.72Å; H411-D532 PolarHBondContact ND1-OD1 2.98Å; S440-D532 PolarHBondContact O-N 2.83Å; S440-D532 VanDerWaalsContact O-N 3.09Å; G442-D532 VanDerWaalsContact CA-CG 3.46Å; G442-D532 WeakPolarHBondContact CA-OD2 3.48Å
533V93.4Very high95Very high8 Ų828.1 Ų28.15%0.04816%0.159CC..EExtended strand (participates in β ladder)trans-144.3137-166.2-1630000111.9R407 I408 A439 S440 Y535R407-V533 HydrophobicContact CG-CG1 3.51Å; R407-V533 VanDerWaalsContact NH2-CG2 3.27Å; I408-V533 WeakPolarHBondContact O-CA 3.44Å; A439-V533 WeakPolarHBondContact CA-O 3.4Å; S440-V533 PolarHBondContact N-O 3.19Å; S440-V533 PolarHBondContact O-N 2.99Å; V533-Y535 HydrophobicContact CB-CE2 4.08Å; V533-Y535 HydrophobicContact CG1-CD1 4.01Å; V533-Y535 HydrophobicContact CG1-CD2 4.18Å; V533-Y535 HydrophobicContact CG1-CE1 3.65Å; V533-Y535 HydrophobicContact CG1-CE2 3.82Å; V533-Y535 HydrophobicContact CG1-CG 4.27Å
534I95.9Very high94.6Very high4 Ų436 Ų362%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-108.3127.9158.6-73.7165.3000108.7I408 M410 L426 I437 A439 W524 L527 L536I408-I534 HydrophobicContact CB-CB 4.5Å; I408-I534 PolarHBondContact N-O 2.81Å; I408-I534 PolarHBondContact O-N 3.07Å; M410-I534 HydrophobicContact CE-CD1 3.67Å; M410-I534 HydrophobicContact CE-CG1 4.4Å; M410-I534 HydrophobicContact SD-CD1 3.57Å; M410-I534 VanDerWaalsContact SD-CD1 3.57Å; M410-I534 HydrophobicContact SD-CG1 3.62Å; L426-I534 HydrophobicContact CD1-CD1 3.96Å; L426-I534 HydrophobicContact CD2-CG2 4.28Å; I437-I534 HydrophobicContact CG2-CG2 3.89Å; A439-I534 HydrophobicContact CB-CG1 4.23Å; W524-I534 HydrophobicContact CH2-CD1 3.62Å; W524-I534 HydrophobicContact CZ3-CD1 3.65Å; L527-I534 HydrophobicContact CD2-CD1 4.15Å; I534-L536 HydrophobicContact CG2-CD2 3.59Å; I534-L536 HydrophobicContact CG2-CG 4.08Å
535Y96.9Very high94.3Very high25 Ų2538.7 Ų38.710%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-102.3129.8174.1-65.6-68.3000109.2N392 N394 R407 T438 S440 V533N392-Y535 HydrophobicContact CB-CE1 4.36Å; N392-Y535 HydrophobicContact CB-CE2 4.21Å; N394-Y535 HydrophobicContact CB-CD1 4.11Å; N394-Y535 WeakPolarHBondContact OD1-CB 3.27Å; R407-Y535 HydrophobicContact CB-CD1 4.31Å; R407-Y535 HydrophobicContact CB-CE1 4.29Å; R407-Y535 HydrophobicContact CG-CD1 4.11Å; R407-Y535 HydrophobicContact CG-CE1 3.75Å; T438-Y535 PolarHBondContact N-O 2.86Å; T438-Y535 PolarHBondContact O-N 2.87Å; S440-Y535 WeakPolarHBondContact OG-CE2 3.31Å; V533-Y535 HydrophobicContact CB-CE2 4.08Å; V533-Y535 HydrophobicContact CG1-CD1 4.01Å; V533-Y535 HydrophobicContact CG1-CD2 4.18Å; V533-Y535 HydrophobicContact CG1-CE1 3.65Å; V533-Y535 HydrophobicContact CG1-CE2 3.82Å; V533-Y535 HydrophobicContact CG1-CG 4.27Å
536L98.1Very high94.3Very high0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-119.8130.3-178-56.8-180000109.2N394 P405 E406 I408 M425 L426 V435 L436 I437 I534 W538N394-L536 PolarHBondContact OD1-O 2.83Å; P405-L536 CarbonylContact C-O 3.44Å; P405-L536 WeakPolarHBondContact CA-O 3.33Å; E406-L536 HydrophobicContact CB-CB 4.27Å; E406-L536 PolarHBondContact N-O 3.22Å; E406-L536 PolarHBondContact O-N 2.86Å; I408-L536 HydrophobicContact CD1-CD1 3.64Å; I408-L536 HydrophobicContact CG1-CD1 4.23Å; M425-L536 HydrophobicContact CE-CD1 3.65Å; L426-L536 HydrophobicContact CD2-CD1 4.25Å; L426-L536 HydrophobicContact CD2-CD2 3.49Å; L426-L536 VanDerWaalsContact CD2-CD2 3.49Å; L426-L536 HydrophobicContact CD2-CG 4.49Å; V435-L536 HydrophobicContact CG2-CB 3.92Å; V435-L536 HydrophobicContact CG2-CD2 4.04Å; V435-L536 HydrophobicContact CG2-CG 4.45Å; L436-L536 WeakPolarHBondContact O-CA 3.19Å; I437-L536 HydrophobicContact CB-CD2 4.23Å; I437-L536 HydrophobicContact CG1-CD2 3.82Å; I437-L536 HydrophobicContact CG2-CD2 3.85Å; I534-L536 HydrophobicContact CG2-CD2 3.59Å; I534-L536 HydrophobicContact CG2-CG 4.08Å; L536-W538 HydrophobicContact CD1-CZ2 3.73Å
537S98.3Very high94.3Very high0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-113119.2165-153.10000108.5W403 I404 V435 L436W403-S537 WeakPolarHBondContact CB-OG 3.29Å; W403-S537 PolarHBondContact O-OG 3.12Å; I404-S537 CarbonylContact O-C 3.54Å; I404-S537 WeakPolarHBondContact O-CA 3.37Å; V435-S537 CarbonylContact C-O 3.54Å; V435-S537 WeakPolarHBondContact CA-O 3.23Å; V435-S537 WeakPolarHBondContact CG2-O 3.5Å; L436-S537 PolarHBondContact N-O 3.19Å; L436-S537 PolarHBondContact O-N 3.08Å
538W98.3Very high94.3Very high7 Ų737.3 Ų37.33%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-97.6138.8-172.2-65.592.9000112.1W403 I404 E406 M425 R429 V435 L536 P540 L542 W586W403-W538 WeakPolarHBondContact CB-O 3.34Å; I404-W538 HydrophobicContact CB-CB 4.22Å; I404-W538 PolarHBondContact N-O 3.15Å; I404-W538 PolarHBondContact O-N 3.13Å; E406-W538 PolarHBondContact OE2-NE1 2.95Å; M425-W538 HydrophobicContact CE-CH2 4.08Å; M425-W538 HydrophobicContact CE-CZ2 4Å; M425-W538 HydrophobicContact CG-CH2 4.18Å; M425-W538 HydrophobicContact SD-CH2 3.84Å; M425-W538 HydrophobicContact SD-CZ2 3.92Å; R429-W538 HydrophobicContact CB-CH2 4.28Å; R429-W538 HydrophobicContact CB-CZ3 3.86Å; R429-W538 HydrophobicContact CG-CH2 3.94Å; R429-W538 HydrophobicContact CG-CZ3 3.66Å; V435-W538 HydrophobicContact CB-CD2 4.22Å; V435-W538 HydrophobicContact CB-CE3 3.79Å; V435-W538 HydrophobicContact CB-CZ3 4.04Å; V435-W538 HydrophobicContact CG2-CD2 3.84Å; V435-W538 HydrophobicContact CG2-CE3 3.93Å; V435-W538 HydrophobicContact CG2-CG 4.29Å; V435-W538 HydrophobicContact CG2-CZ2 4.49Å; V435-W538 HydrophobicContact CG2-CZ3 4.3Å; L536-W538 HydrophobicContact CD1-CZ2 3.73Å; W538-P540 WeakPolarHBondContact O-CD 3.1Å; W538-L542 HydrophobicContact CB-CD1 4.43Å; W538-L542 HydrophobicContact CE3-CD1 3.88Å; W538-W586 HydrophobicContact CB-CH2 4.37Å; W538-W586 HydrophobicContact CB-CZ3 3.86Å; W538-W586 AromaticContact CD1-CZ3 3.7Å; W538-W586 AromaticContact CD2-CH2 3.75Å; W538-W586 HydrophobicContact CD2-CH2 3.75Å; W538-W586 HydrophobicContact CD2-CZ3 4.07Å; W538-W586 AromaticContact CE2-CH2 3.9Å; W538-W586 HydrophobicContact CE3-CH2 4.24Å; W538-W586 AromaticContact CG-CH2 3.82Å; W538-W586 HydrophobicContact CG-CH2 3.82Å; W538-W586 AromaticContact CG-CZ3 3.61Å; W538-W586 HydrophobicContact CG-CZ3 3.61Å; W538-W586 HydrophobicContact CZ2-CH2 4.48Å
539N97.1Very high94.5Very high28 Ų2837.4 Ų37.415%0.1520%0.198CC..  trans-62.3118.4178.8-169.5-25.6000110.4W403 G433 D434 G541 L542W403-N539 HydrophobicContact CD2-CB 4.26Å; W403-N539 HydrophobicContact CE3-CB 3.99Å; W403-N539 VanDerWaalsContact CE3-N 3.3Å; W403-N539 HydrophobicContact CH2-CB 3.57Å; W403-N539 HydrophobicContact CZ2-CB 3.88Å; W403-N539 HydrophobicContact CZ3-CB 3.63Å; G433-N539 PolarHBondContact O-ND2 2.94Å; D434-N539 WeakPolarHBondContact O-CB 3.38Å; D434-N539 PolarHBondContact O-N 2.97Å; N539-G541 PolarHBondContact O-N 2.85Å; N539-G541 PolarHBondContact OD1-N 2.89Å; N539-L542 HydrophobicContact CB-CG 4.47Å; N539-L542 VanDerWaalsContact O-CB 3.32Å; N539-L542 WeakPolarHBondContact O-CB 3.36Å; N539-L542 WeakPolarHBondContact O-CD1 3.29Å; N539-L542 VanDerWaalsContact O-CG 3.28Å; N539-L542 WeakPolarHBondContact O-CG 3.48Å; N539-L542 PolarHBondContact O-N 2.94Å
540P95.4Very high94.8Very high44 Ų4431.4 Ų31.429%0.28617%0.17SC..G310 helixtrans-64.9-20.718026.7-33.5000112.5I404 W538 L542 F543 Y672I404-P540 HydrophobicContact CG1-CB 4.43Å; W538-P540 WeakPolarHBondContact O-CD 3.1Å; P540-L542 PolarHBondContact O-N 3.05Å; P540-L542 VanDerWaalsContact O-N 3.1Å; P540-F543 PolarHBondContact O-N 2.92Å; P540-Y672 HydrophobicContact CB-CD1 4.47Å; P540-Y672 HydrophobicContact CB-CE1 3.9Å
541G93.2Very high95Very high63 Ų6329.9 Ų29.965%0.64917%0.166SC*.G310 helixtrans-66.6-0.8171.600000115.2N539 F543N539-G541 PolarHBondContact O-N 2.85Å; N539-G541 PolarHBondContact OD1-N 2.89Å; G541-F543 PolarHBondContact O-N 2.88Å
542L93.1Very high95Very high49 Ų4932.4 Ų32.426%0.25718%0.182SC..G310 helixtrans-66.8-17.1163.6-73.3170000113.1D434 W538 N539 P540D434-L542 HydrophobicContact CB-CD1 4.28Å; D434-L542 HydrophobicContact CB-CD2 4.08Å; W538-L542 HydrophobicContact CB-CD1 4.43Å; W538-L542 HydrophobicContact CE3-CD1 3.88Å; N539-L542 HydrophobicContact CB-CG 4.47Å; N539-L542 VanDerWaalsContact O-CB 3.32Å; N539-L542 WeakPolarHBondContact O-CB 3.36Å; N539-L542 WeakPolarHBondContact O-CD1 3.29Å; N539-L542 VanDerWaalsContact O-CG 3.28Å; N539-L542 WeakPolarHBondContact O-CG 3.48Å; N539-L542 PolarHBondContact O-N 2.94Å; P540-L542 PolarHBondContact O-N 3.05Å; P540-L542 VanDerWaalsContact O-N 3.1Å
543F94Very high95Very high30 Ų3029.9 Ų29.913%0.13217%0.168CC..  trans-116.8150.4-174.1-57.8-82.2000110.6I404 P540 G541 W586 Y672 S673I404-F543 HydrophobicContact CD1-CD2 3.96Å; I404-F543 HydrophobicContact CD1-CE2 3.66Å; P540-F543 PolarHBondContact O-N 2.92Å; G541-F543 PolarHBondContact O-N 2.88Å; F543-W586 HydrophobicContact CE1-CD2 4.29Å; F543-W586 HydrophobicContact CE1-CG 4.25Å; F543-W586 HydrophobicContact CE2-CD2 4.26Å; F543-W586 AromaticContact CE2-CE3 3.95Å; F543-W586 HydrophobicContact CE2-CE3 3.95Å; F543-W586 HydrophobicContact CE2-CZ3 4.2Å; F543-W586 HydrophobicContact CZ-CB 4.45Å; F543-W586 AromaticContact CZ-CD2 3.49Å; F543-W586 HydrophobicContact CZ-CD2 3.49Å; F543-W586 VanDerWaalsContact CZ-CD2 3.49Å; F543-W586 AromaticContact CZ-CE2 3.77Å; F543-W586 AromaticContact CZ-CE3 3.65Å; F543-W586 HydrophobicContact CZ-CE3 3.65Å; F543-W586 AromaticContact CZ-CG 3.88Å; F543-W586 HydrophobicContact CZ-CG 3.88Å; F543-W586 HydrophobicContact CZ-CH2 4.31Å; F543-W586 HydrophobicContact CZ-CZ2 4.18Å; F543-W586 HydrophobicContact CZ-CZ3 4.07Å; F543-Y672 HydrophobicContact CD2-CD1 4.18Å; F543-Y672 HydrophobicContact CD2-CG 4.34Å; F543-S673 WeakPolarHBondContact CB-O 3.45Å
544K89.6Confident94.8Very high174 Ų17431.5 Ų31.576%0.75718%0.177SC*.SBendtrans-93.5-32.7-178.6-63.7-176.4-174.6169.90112.6S673K544-S673 PolarHBondContact N-O 3.47Å
545E90.4Very high94.4Very high60 Ų6033 Ų3328%0.2819%0.189SC..BIsolated β-bridgetrans-129.3136.3-175.7-69.3169.9-125.400108.6S673 S676 F677E545-S673 PolarHBondContact N-O 2.73Å; E545-S673 VanDerWaalsContact N-O 3.14Å; E545-S673 PolarHBondContact O-N 2.71Å; E545-S676 VanDerWaalsContact OE1-CA 3.24Å; E545-S676 WeakPolarHBondContact OE1-CA 3.3Å; E545-S676 WeakPolarHBondContact OE1-CB 3.33Å; E545-S676 VanDerWaalsContact OE2-CA 3.26Å; E545-S676 WeakPolarHBondContact OE2-CA 3.03Å; E545-S676 PolarHBondContact OE2-OG 2.86Å; E545-F677 HydrophobicContact CB-CD1 4.15Å; E545-F677 HydrophobicContact CB-CE1 3.59Å
546S94.4Very high93.9Very high18 Ų1840.6 Ų40.613%0.12622%0.223CC..  trans-156.4106.8176.8-179.40000113Q200 V671 Y672Q200-S546 PolarHBondContact NE2-O 2.79Å; Q200-S546 VanDerWaalsContact OE1-C 3.24Å; Q200-S546 PolarHBondContact OE1-O 2.83Å; Q200-S546 VanDerWaalsContact OE1-O 3.06Å; S546-V671 CarbonylContact C-O 3.54Å; S546-V671 WeakPolarHBondContact CA-O 3.39Å; S546-V671 VanDerWaalsContact CB-O 3.27Å; S546-V671 WeakPolarHBondContact CB-O 3.46Å; S546-V671 PolarHBondContact OG-O 2.85Å; S546-Y672 WeakPolarHBondContact OG-CD1 3.39Å; S546-Y672 WeakPolarHBondContact OG-CE1 3.37Å
547T94.3Very high93.1Very high22 Ų2245.3 Ų45.314%0.13525%0.245CC..  trans-109.1144.4-178.2-44.70000109.8Q200 R670 V671Q200-T547 PolarHBondContact OE1-OG1 3.43Å; T547-R670 WeakPolarHBondContact O-CA 3.45Å; T547-V671 PolarHBondContact N-O 2.76Å; T547-V671 PolarHBondContact O-N 2.68Å
548C95.6Very high92.2Very high2 Ų247 Ų471%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-119.4162.2171580000112.8D198 T668 V669 R670D198-C548 PolarHBondContact OD2-SG 3.1Å; D198-C548 VanDerWaalsContact OD2-SG 3.36Å; C548-T668 HydrophobicContact CB-CG2 3.8Å; C548-V669 CarbonylContact C-O 3.58Å; C548-V669 WeakPolarHBondContact CA-O 3.49Å; C548-R670 HydrophobicContact CB-CB 3.87Å; C548-R670 HydrophobicContact CB-CG 3.87Å; C548-R670 PolarHBondContact SG-NH1 3.05Å; C548-R670 PolarHBondContact SG-NH2 3Å
549I97Very high91.4Very high19 Ų1947 Ų4710%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-132.3129.8163.5-63.4171.3000108.2E208 Y572 T668 V669 F679 K681E208-I549 VanDerWaalsContact OE1-CA 3.31Å; E208-I549 WeakPolarHBondContact OE1-CA 3.33Å; I549-Y572 HydrophobicContact CB-CE1 4.07Å; I549-Y572 HydrophobicContact CD1-CD1 3.95Å; I549-Y572 HydrophobicContact CD1-CE1 3.97Å; I549-Y572 HydrophobicContact CG2-CE1 3.95Å; I549-T668 WeakPolarHBondContact O-CA 3.22Å; I549-V669 PolarHBondContact N-O 2.66Å; I549-V669 PolarHBondContact O-N 2.74Å; I549-F679 HydrophobicContact CB-CE1 4.1Å; I549-F679 HydrophobicContact CD1-CD1 3.9Å; I549-F679 HydrophobicContact CD1-CE1 3.59Å; I549-F679 HydrophobicContact CD1-CZ 4.04Å; I549-F679 HydrophobicContact CG1-CD1 4.11Å; I549-F679 HydrophobicContact CG1-CE1 3.65Å; I549-F679 HydrophobicContact CG1-CZ 4.4Å; I549-K681 HydrophobicContact CD1-CG 4.36Å; I549-K681 VanDerWaalsContact CG2-CE 3.48Å; I549-K681 HydrophobicContact CG2-CG 4.29Å
550H97.3Very high90.7Very high0 Ų049.1 Ų49.10%028%0.277CS..EExtended strand (participates in β ladder)trans-90.8144.2170.4-49.6-79.5000110.5Y204 E208 V211 T668Y204-H550 AromaticContact CD1-CD2 3.94Å; Y204-H550 AromaticContact CE1-CD2 3.8Å; Y204-H550 AromaticContact CE1-NE2 3.52Å; E208-H550 HydrophobicContact CB-CB 4.08Å; E208-H550 HydrophobicContact CG-CB 3.91Å; E208-H550 VanDerWaalsContact CG-O 3.32Å; E208-H550 WeakPolarHBondContact CG-O 3.38Å; E208-H550 IonicContact OE1-CD2 3.44Å; E208-H550 PolarHBondContact OE1-N 2.92Å; V211-H550 HydrophobicContact CB-CB 4.35Å; V211-H550 HydrophobicContact CG1-CB 4.16Å; H550-T668 PolarHBondContact CE1-OG1 3.47Å; H550-T668 PolarHBondContact ND1-OG1 2.92Å
551S96.6Very high90.2Very high13 Ų1350.7 Ų50.79%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-162.1170.5-172.4-1660000113Y572 H666 Y667S551-Y572 WeakPolarHBondContact CB-OH 3.27Å; S551-H666 WeakPolarHBondContact O-CA 3.35Å; S551-Y667 VanDerWaalsContact CB-CZ 3.49Å; S551-Y667 VanDerWaalsContact CB-OH 3.26Å; S551-Y667 WeakPolarHBondContact CB-OH 3Å; S551-Y667 PolarHBondContact N-O 2.81Å; S551-Y667 PolarHBondContact O-N 3.46Å; S551-Y667 PolarHBondContact OG-OH 2.85Å
552T94.9Very high89.7Confident56 Ų5648.7 Ų48.734%0.34425%0.254SS..EExtended strand (participates in β ladder)trans-126.7146.3177-54.20000109.5V211 T664 I665 H666V211-T552 WeakPolarHBondContact CG2-OG1 3.44Å; T552-T664 HydrophobicContact CG2-CG2 3.57Å; T552-I665 CarbonylContact C-O 3.54Å; T552-I665 WeakPolarHBondContact CA-O 3.43Å; T552-H666 PolarHBondContact OG1-CE1 2.87Å; T552-H666 PolarHBondContact OG1-ND1 3.03Å
553W91.8Very high89.1Confident5 Ų550.2 Ų50.22%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-123.2116.5165.8-170.721.1000109.4N568 N569 P570 V656 Q658 K661 T664 I665 Y667W553-N568 PolarHBondContact NE1-O 3.46Å; W553-N569 HydrophobicContact CH2-CB 4.43Å; W553-N569 WeakPolarHBondContact CH2-ND2 3.45Å; W553-N569 HydrophobicContact CZ2-CB 4.03Å; W553-N569 VanDerWaalsContact CZ2-CG 3.42Å; W553-N569 WeakPolarHBondContact CZ2-ND2 3.44Å; W553-P570 HydrophobicContact CB-CG 3.8Å; W553-P570 HydrophobicContact CD2-CG 4.08Å; W553-P570 HydrophobicContact CG-CG 3.71Å; W553-V656 HydrophobicContact CE3-CG1 4.38Å; W553-Q658 HydrophobicContact CE3-CG 4.42Å; W553-Q658 HydrophobicContact CH2-CB 4.35Å; W553-Q658 HydrophobicContact CZ3-CB 3.9Å; W553-Q658 HydrophobicContact CZ3-CG 3.87Å; W553-K661 HydrophobicContact CD2-CD 3.91Å; W553-K661 HydrophobicContact CE3-CD 4.34Å; W553-K661 HydrophobicContact CG-CD 4.35Å; W553-K661 HydrophobicContact CH2-CD 4.36Å; W553-K661 HydrophobicContact CZ2-CD 3.96Å; W553-T664 CarbonylContact O-C 3.56Å; W553-T664 VanDerWaalsContact O-CA 3.29Å; W553-T664 WeakPolarHBondContact O-CA 3.28Å; W553-T664 WeakPolarHBondContact O-CG2 3.39Å; W553-I665 HydrophobicContact CB-CG1 4.09Å; W553-I665 HydrophobicContact CE3-CD1 4.29Å; W553-I665 PolarHBondContact N-O 2.9Å; W553-I665 PolarHBondContact O-N 3.24Å; W553-Y667 HydrophobicContact CB-CE1 4.13Å
554D89.6Confident88.5Confident43 Ų4351.7 Ų51.723%0.2328%0.278CS..  trans-77.5129.4-176.9178.9-1.6000111.5K556 Q557 K661D554-K556 PolarHBondContact O-N 3.41Å; D554-K556 WeakPolarHBondContact OD1-CB 3.36Å; D554-K556 WeakPolarHBondContact OD1-CG 3.43Å; D554-K556 PolarHBondContact OD1-N 3.25Å; D554-Q557 HydrophobicContact CB-CG 3.99Å; D554-Q557 PolarHBondContact O-N 2.9Å; D554-K661 WeakPolarHBondContact O-CE 3.45Å
555A86.4Confident88.5Confident34 Ų3443.5 Ų43.528%0.28124%0.243SC..THydrogen-bonded Turntrans-49-32.2174.500000113.5Q557 K661 T664A555-Q557 VanDerWaalsContact C-N 3.31Å; A555-Q557 PolarHBondContact O-N 3.22Å; A555-K661 VanDerWaalsContact O-CE 3.23Å; A555-K661 WeakPolarHBondContact O-CE 3.49Å; A555-T664 PolarHBondContact N-OG1 3.28Å
556K85.9Confident88.5Confident186 Ų18640.8 Ų40.881%0.80923%0.231SC*.THydrogen-bonded Turntrans-77.7-10.4-175.6-60.8164.1-174.3167.20114D554D554-K556 PolarHBondContact O-N 3.41Å; D554-K556 WeakPolarHBondContact OD1-CB 3.36Å; D554-K556 WeakPolarHBondContact OD1-CG 3.43Å; D554-K556 PolarHBondContact OD1-N 3.25Å
557Q81.7Confident88.3Confident98 Ų9840.1 Ų40.146%0.45823%0.226SC..SBendtrans-98.7120.4-172.3-64.8-176.52500112.5D554 A555 N568 K661D554-Q557 HydrophobicContact CB-CG 3.99Å; D554-Q557 PolarHBondContact O-N 2.9Å; A555-Q557 VanDerWaalsContact C-N 3.31Å; A555-Q557 PolarHBondContact O-N 3.22Å; Q557-N568 HydrophobicContact CB-CB 4.46Å; Q557-K661 WeakPolarHBondContact O-CE 3.43Å; Q557-K661 PolarHBondContact O-NZ 3.25Å
558G80.6Confident88Confident36 Ų3641.2 Ų41.237%0.37123%0.231SC..SBendtrans74.5-163.5178.600000114.6
559P80.4Confident87.9Confident6 Ų641.4 Ų41.44%0.03923%0.232CC..  trans-76.5161.6-176.734.2-37000112.7K561 Y564 K661P559-K561 VanDerWaalsContact CB-O 3.3Å; P559-K561 WeakPolarHBondContact CB-O 3.42Å; P559-K561 WeakPolarHBondContact CG-O 3.23Å; P559-Y564 HydrophobicContact CB-CD1 4.45Å; P559-Y564 HydrophobicContact CB-CE1 3.6Å; P559-Y564 HydrophobicContact CG-CE1 4.43Å; P559-K661 PolarHBondContact O-NZ 3.16Å
560V82.9Confident87.8Confident73 Ų7341.5 Ų41.544%0.44223%0.234SC..SBendtrans-72.1-34.3172.3176.70000111.4E660 K661V560-E660 CarbonylContact O-C 3.56Å; V560-E660 WeakPolarHBondContact O-CA 3.49Å; V560-K661 PolarHBondContact O-N 2.76Å
561K83.9Confident87.8Confident78 Ų7842.2 Ų42.234%0.33924%0.237SC..SBendtrans-120.9141172.2-57.6-162.6-175.6-129.90109.6P559 A563 Y659 E660P559-K561 VanDerWaalsContact CB-O 3.3Å; P559-K561 WeakPolarHBondContact CB-O 3.42Å; P559-K561 WeakPolarHBondContact CG-O 3.23Å; K561-A563 HydrophobicContact CB-CB 4.4Å; K561-A563 PolarHBondContact O-N 3.37Å; K561-Y659 PolarHBondContact NZ-OH 3.21Å; K561-E660 HydrophobicContact CD-CG 4.19Å; K561-E660 WeakPolarHBondContact CE-OE1 2.99Å; K561-E660 HydrophobicContact CG-CG 3.95Å; K561-E660 IonicContact NZ-OE1 3.87Å; K561-E660 PolarHBondContact NZ-OE1 3.39Å
562D83.8Confident87.8Confident21 Ų2141.7 Ų41.711%0.11223%0.233CC..SBendtrans-71.842.2178.2-66.6-21.9000112.9L566 N569 P621 S657 Q658D562-L566 HydrophobicContact CB-CD2 3.76Å; D562-N569 PolarHBondContact OD1-ND2 2.79Å; D562-N569 PolarHBondContact OD2-ND2 2.88Å; D562-N569 VanDerWaalsContact OD2-ND2 3.14Å; D562-P621 WeakPolarHBondContact O-CG 3.37Å; D562-S657 WeakPolarHBondContact OD2-CA 3.01Å; D562-S657 VanDerWaalsContact OD2-CB 3.22Å; D562-S657 WeakPolarHBondContact OD2-CB 3.32Å; D562-S657 PolarHBondContact OD2-OG 3.04Å; D562-Q658 PolarHBondContact OD2-N 3.4Å
563A80.1Confident88Confident80 Ų8041.8 Ų41.866%0.66123%0.229SC*.SBendtrans-91.7-17.7-169.200000114.6K561K561-A563 HydrophobicContact CB-CB 4.4Å; K561-A563 PolarHBondContact O-N 3.37Å
564Y81.8Confident88.2Confident61 Ų6141.5 Ų41.524%0.23923%0.228CC..SBendtrans-147.1-10.2-174.766.4-82.5000115.1P559 R735 F769P559-Y564 HydrophobicContact CB-CD1 4.45Å; P559-Y564 HydrophobicContact CB-CE1 3.6Å; P559-Y564 HydrophobicContact CG-CE1 4.43Å; Y564-R735 HydrophobicContact CE1-CG 4.29Å; Y564-R735 VanDerWaalsContact CZ-NE 3.33Å; Y564-R735 PolarHBondContact OH-NE 3.33Å; Y564-R735 PolarHBondContact OH-NH2 3.47Å; Y564-R735 VanDerWaalsContact OH-NH2 3.1Å; Y564-F769 HydrophobicContact CD2-CB 3.69Å; Y564-F769 HydrophobicContact CE2-CB 4.09Å
565S89.1Confident88.6Confident3 Ų341.7 Ų41.72%0.02123%0.227CC..  trans-155.1136.6176-173.10000110.7A567 Y619 F769S565-A567 WeakPolarHBondContact OG-CB 3.34Å; S565-A567 PolarHBondContact OG-N 3.42Å; S565-Y619 WeakPolarHBondContact CA-O 3.31Å; S565-F769 VanDerWaalsContact CB-CD1 3.48Å; S565-F769 WeakPolarHBondContact OG-CD1 3.37Å; S565-F769 WeakPolarHBondContact OG-CE1 3.31Å
566L91.1Very high89Confident3 Ų340.1 Ų40.12%0.01621%0.214CC..  trans-109.15168.1-68.6178.4000112.3D562 N568 N569 Q571 Y611 V618 Y619 P621 V655D562-L566 HydrophobicContact CB-CD2 3.76Å; L566-N568 PolarHBondContact O-N 3.08Å; L566-N569 WeakPolarHBondContact CD2-ND2 3.35Å; L566-N569 WeakPolarHBondContact O-CB 3.49Å; L566-N569 PolarHBondContact O-N 3.19Å; L566-Q571 PolarHBondContact O-NE2 3.45Å; L566-Y611 HydrophobicContact CD1-CE2 4.05Å; L566-Y611 VanDerWaalsContact CD1-OH 3.26Å; L566-Y611 WeakPolarHBondContact CD1-OH 3.21Å; L566-V618 HydrophobicContact CD1-CG1 3.93Å; L566-Y619 PolarHBondContact N-O 3.19Å; L566-P621 HydrophobicContact CD1-CB 4.37Å; L566-P621 HydrophobicContact CG-CB 4.42Å; L566-P621 HydrophobicContact CG-CG 4.18Å; L566-V655 HydrophobicContact CD1-CG1 4.29Å; L566-V655 HydrophobicContact CD2-CG1 4.3Å
567A88.9Confident89.4Confident4 Ų435.2 Ų35.23%0.03319%0.194CC..THydrogen-bonded Turntrans-62.9-17.1-168.900000114.8S565 K617 Y619 F769S565-A567 WeakPolarHBondContact OG-CB 3.34Å; S565-A567 PolarHBondContact OG-N 3.42Å; A567-K617 WeakPolarHBondContact O-CE 3.46Å; A567-K617 PolarHBondContact O-NZ 3.27Å; A567-Y619 HydrophobicContact CB-CD1 3.66Å; A567-Y619 HydrophobicContact CB-CE1 4.2Å; A567-F769 HydrophobicContact CB-CE1 4.35Å; A567-F769 HydrophobicContact CB-CZ 3.89Å
568N89.5Confident90Very high44 Ų4430.9 Ų30.924%0.23517%0.174CC..THydrogen-bonded Turntrans-115.66.2-178.7-58.9-94.1000112.3W553 Q557 L566 R732W553-N568 PolarHBondContact NE1-O 3.46Å; Q557-N568 HydrophobicContact CB-CB 4.46Å; L566-N568 PolarHBondContact O-N 3.08Å; N568-R732 PolarHBondContact ND2-NH2 2.78Å; N568-R732 VanDerWaalsContact ND2-NH2 3.19Å
569N93.3Very high90.6Very high7 Ų732.1 Ų32.14%0.03718%0.176CC..SBendtrans-82149.6174.5-64.647.8000108.8W553 D562 L566 Q571 V655 V656W553-N569 HydrophobicContact CH2-CB 4.43Å; W553-N569 WeakPolarHBondContact CH2-ND2 3.45Å; W553-N569 HydrophobicContact CZ2-CB 4.03Å; W553-N569 VanDerWaalsContact CZ2-CG 3.42Å; W553-N569 WeakPolarHBondContact CZ2-ND2 3.44Å; D562-N569 PolarHBondContact OD1-ND2 2.79Å; D562-N569 PolarHBondContact OD2-ND2 2.88Å; D562-N569 VanDerWaalsContact OD2-ND2 3.14Å; L566-N569 WeakPolarHBondContact CD2-ND2 3.35Å; L566-N569 WeakPolarHBondContact O-CB 3.49Å; L566-N569 PolarHBondContact O-N 3.19Å; N569-Q571 VanDerWaalsContact O-CG 3.28Å; N569-Q571 WeakPolarHBondContact O-CG 3.49Å; N569-Q571 PolarHBondContact O-N 3.39Å; N569-V655 HydrophobicContact CB-CG1 3.77Å; N569-V656 PolarHBondContact ND2-O 3.03Å
570P94.6Very high91.1Very high21 Ų2140.6 Ų40.614%0.13622%0.215CC..  trans-66.3128.1174.6-17.529.9000111W553 Y572 V656 Y667W553-P570 HydrophobicContact CB-CG 3.8Å; W553-P570 HydrophobicContact CD2-CG 4.08Å; W553-P570 HydrophobicContact CG-CG 3.71Å; P570-Y572 HydrophobicContact CB-CE2 4.08Å; P570-V656 HydrophobicContact CB-CB 4.23Å; P570-V656 HydrophobicContact CB-CG2 4.36Å; P570-V656 HydrophobicContact CG-CB 4.23Å; P570-V656 PolarHBondContact O-N 2.99Å; P570-Y667 WeakPolarHBondContact CB-OH 3.36Å; P570-Y667 HydrophobicContact CG-CE1 4.27Å; P570-Y667 VanDerWaalsContact CG-OH 3.22Å; P570-Y667 WeakPolarHBondContact CG-OH 3.28Å
571Q96.5Very high91.2Very high15 Ų1541 Ų417%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-129.2143.6-177.9-44-166.610.200112.1L566 N569 V618 T653 L654 V655 I682L566-Q571 PolarHBondContact O-NE2 3.45Å; N569-Q571 VanDerWaalsContact O-CG 3.28Å; N569-Q571 WeakPolarHBondContact O-CG 3.49Å; N569-Q571 PolarHBondContact O-N 3.39Å; Q571-V618 PolarHBondContact NE2-O 3.05Å; Q571-T653 HydrophobicContact CB-CG2 4.33Å; Q571-L654 CarbonylContact C-O 3.53Å; Q571-L654 VanDerWaalsContact CA-O 3.27Å; Q571-L654 WeakPolarHBondContact CA-O 3.46Å; Q571-V655 HydrophobicContact CB-CG2 4.45Å; Q571-V655 HydrophobicContact CG-CG1 4.24Å; Q571-V655 HydrophobicContact CG-CG2 3.98Å; Q571-I682 HydrophobicContact CB-CD1 3.91Å; Q571-I682 HydrophobicContact CB-CG1 4.49Å; Q571-I682 PolarHBondContact O-N 3.11Å
572Y97.5Very high91.6Very high2 Ų238.1 Ų38.11%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-132.9140.5-173.7-58.2-101.5000110.9I549 S551 P570 T653 L654 V656 Y667 V669 F679 S680 K681I549-Y572 HydrophobicContact CB-CE1 4.07Å; I549-Y572 HydrophobicContact CD1-CD1 3.95Å; I549-Y572 HydrophobicContact CD1-CE1 3.97Å; I549-Y572 HydrophobicContact CG2-CE1 3.95Å; S551-Y572 WeakPolarHBondContact CB-OH 3.27Å; P570-Y572 HydrophobicContact CB-CE2 4.08Å; Y572-T653 WeakPolarHBondContact O-CA 3.24Å; Y572-L654 PolarHBondContact N-O 3.43Å; Y572-L654 PolarHBondContact O-N 2.85Å; Y572-V656 HydrophobicContact CE2-CG2 4.01Å; Y572-Y667 HydrophobicContact CE2-CE2 4.4Å; Y572-Y667 VanDerWaalsContact OH-CE2 3.3Å; Y572-Y667 WeakPolarHBondContact OH-CE2 3.22Å; Y572-Y667 PolarHBondContact OH-OH 2.79Å; Y572-V669 HydrophobicContact CE2-CG2 4.19Å; Y572-F679 AromaticContact CD1-CE2 3.78Å; Y572-F679 HydrophobicContact CD1-CE2 3.78Å; Y572-F679 AromaticContact CD1-CZ 3.64Å; Y572-F679 HydrophobicContact CD1-CZ 3.64Å; Y572-F679 HydrophobicContact CE1-CZ 4.2Å; Y572-F679 AromaticContact CG-CE2 3.87Å; Y572-F679 HydrophobicContact CG-CE2 3.87Å; Y572-F679 HydrophobicContact CG-CZ 4.08Å; Y572-S680 CarbonylContact C-O 3.57Å; Y572-S680 WeakPolarHBondContact CA-O 3.28Å; Y572-S680 WeakPolarHBondContact CB-O 3.26Å; Y572-K681 HydrophobicContact CD1-CG 4.09Å; Y572-K681 HydrophobicContact CE1-CG 3.71Å
573K97.6Very high91.9Very high57 Ų5737.9 Ų37.925%0.24823%0.227CC..EExtended strand (participates in β ladder)trans-85.4131.5168.5-174.6-175.1-179.8-157.60108.1E575 T651 F679 S680 I682K573-E575 VanDerWaalsContact CE-OE2 3.32Å; K573-E575 WeakPolarHBondContact CE-OE2 3.37Å; K573-E575 IonicContact NZ-OE2 2.76Å; K573-E575 PolarHBondContact NZ-OE2 2.75Å; K573-T651 HydrophobicContact CD-CG2 4.33Å; K573-T651 HydrophobicContact CG-CG2 4.04Å; K573-F679 WeakPolarHBondContact O-CA 3.01Å; K573-S680 PolarHBondContact N-O 2.89Å; K573-S680 PolarHBondContact O-N 2.86Å; K573-S680 VanDerWaalsContact O-N 3.08Å; K573-I682 HydrophobicContact CB-CG1 4.18Å
574L97.4Very high92.5Very high0 Ų036 Ų360%021%0.212CC..EExtended strand (participates in β ladder)trans-124.6116.4167.5170.161.4000108.5V576 V585 V587 I642 T651 F652 L654 V671 F677 T678 F679L574-V576 HydrophobicContact CD1-CG2 3.94Å; L574-V576 HydrophobicContact CD2-CG2 4.33Å; L574-V576 HydrophobicContact CG-CG2 3.87Å; L574-V585 HydrophobicContact CD2-CG1 4.03Å; L574-V587 HydrophobicContact CD2-CG2 4.06Å; L574-I642 HydrophobicContact CD2-CD1 4.11Å; L574-T651 WeakPolarHBondContact O-CA 3.5Å; L574-F652 HydrophobicContact CB-CB 4.41Å; L574-F652 PolarHBondContact N-O 2.76Å; L574-F652 PolarHBondContact O-N 2.91Å; L574-L654 HydrophobicContact CB-CD1 3.75Å; L574-L654 HydrophobicContact CB-CG 4.08Å; L574-L654 HydrophobicContact CD2-CD1 3.92Å; L574-L654 HydrophobicContact CD2-CD2 4.39Å; L574-L654 HydrophobicContact CG-CD1 4.47Å; L574-V671 HydrophobicContact CD1-CG1 4.03Å; L574-V671 HydrophobicContact CD1-CG2 4.5Å; L574-V671 HydrophobicContact CD2-CG1 4.44Å; L574-F677 HydrophobicContact CD1-CB 4.13Å; L574-F677 HydrophobicContact CD1-CD2 3.66Å; L574-F677 HydrophobicContact CD1-CE2 4.47Å; L574-F677 HydrophobicContact CD1-CG 4.18Å; L574-T678 WeakPolarHBondContact CA-O 3.41Å; L574-F679 HydrophobicContact CB-CD2 4.46Å; L574-F679 HydrophobicContact CD1-CB 4.44Å
575E97Very high93.1Very high47 Ų4733 Ų3322%0.2220%0.2CC..EExtended strand (participates in β ladder)trans-116.8121.6178.9-177.7179.4104.600109.4K573 T649 H650 T651 F677 T678K573-E575 VanDerWaalsContact CE-OE2 3.32Å; K573-E575 WeakPolarHBondContact CE-OE2 3.37Å; K573-E575 IonicContact NZ-OE2 2.76Å; K573-E575 PolarHBondContact NZ-OE2 2.75Å; E575-T649 HydrophobicContact CG-CG2 3.45Å; E575-T649 VanDerWaalsContact CG-CG2 3.45Å; E575-H650 WeakPolarHBondContact CA-O 3.19Å; E575-T651 HydrophobicContact CB-CG2 4.34Å; E575-F677 CarbonylContact O-C 3.52Å; E575-F677 WeakPolarHBondContact O-CA 3.39Å; E575-F677 VanDerWaalsContact O-CB 3.27Å; E575-F677 WeakPolarHBondContact O-CB 3.28Å; E575-T678 PolarHBondContact N-O 3.15Å; E575-T678 PolarHBondContact O-N 2.69Å
576V95.4Very high93.6Very high0 Ų034.3 Ų34.30%021%0.205CC..EExtended strand (participates in β ladder)trans-119.7129.8-169.1-175.90000110.5L574 C578 V585 L644 T649 H650 F677L574-V576 HydrophobicContact CD1-CG2 3.94Å; L574-V576 HydrophobicContact CD2-CG2 4.33Å; L574-V576 HydrophobicContact CG-CG2 3.87Å; V576-C578 PolarHBondContact O-N 3.16Å; V576-V585 HydrophobicContact CB-CG2 4.45Å; V576-V585 HydrophobicContact CG1-CG2 3.64Å; V576-V585 HydrophobicContact CG2-CG2 3.94Å; V576-L644 HydrophobicContact CB-CD1 3.94Å; V576-L644 HydrophobicContact CG1-CD1 3.64Å; V576-T649 WeakPolarHBondContact O-CA 3.21Å; V576-H650 PolarHBondContact N-O 2.9Å; V576-H650 PolarHBondContact O-N 2.96Å; V576-F677 HydrophobicContact CG2-CB 4.27Å
577Q95.3Very high93.9Very high83 Ų8334.1 Ų34.139%0.38820%0.204SC..EExtended strand (participates in β ladder)trans-90.197.1175-59.7-58.6-2300109.9T649 C675 S676Q577-T649 PolarHBondContact NE2-OG1 3.09Å; Q577-T649 PolarHBondContact OE1-OG1 2.86Å; Q577-T649 VanDerWaalsContact OE1-OG1 3.09Å; Q577-C675 WeakPolarHBondContact O-CB 3.38Å; Q577-C675 PolarHBondContact O-SG 2.91Å; Q577-S676 WeakPolarHBondContact CB-O 3.47Å; Q577-S676 PolarHBondContact N-O 2.89Å
578C94.2Very high94.3Very high7 Ų734.1 Ų34.15%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-84.6124.2-175.4-169.90000111.5V576 L644 T646 P647 G648V576-C578 PolarHBondContact O-N 3.16Å; C578-L644 HydrophobicContact CB-CB 4.33Å; C578-L644 HydrophobicContact CB-CD1 3.94Å; C578-L644 VanDerWaalsContact SG-CB 3.51Å; C578-T646 PolarHBondContact SG-O 3.15Å; C578-P647 CarbonylContact O-C 3.51Å; C578-P647 VanDerWaalsContact O-CA 3.31Å; C578-P647 WeakPolarHBondContact O-CA 3.33Å; C578-G648 VanDerWaalsContact CB-O 3.25Å; C578-G648 WeakPolarHBondContact CB-O 3.29Å; C578-G648 PolarHBondContact N-O 2.87Å; C578-G648 PolarHBondContact O-N 2.95Å
579P93.4Very high94.7Very high63 Ų6332.1 Ų32.141%0.40919%0.192SC..  trans-80171.8176.334.9-34.9000111.9G581 G582P579-G581 PolarHBondContact O-N 2.87Å; P579-G581 VanDerWaalsContact O-N 3.12Å; P579-G582 WeakPolarHBondContact CG-O 3.21Å; P579-G582 PolarHBondContact O-N 3.5Å
580Q88.9Confident94.9Very high183 Ų18332 Ų3286%0.85519%0.192SC*.THydrogen-bonded Turntrans-59.1-24.4-178.6-68.7179.3-12.200114.7G582 P647Q580-G582 VanDerWaalsContact C-N 3.29Å; Q580-G582 PolarHBondContact O-N 3.09Å; Q580-P647 HydrophobicContact CG-CB 4.33Å
581G86.3Confident94.9Very high82 Ų8231.4 Ų31.485%0.84519%0.187SC*.THydrogen-bonded Turntrans-82.22.3174.400000115.2P579P579-G581 PolarHBondContact O-N 2.87Å; P579-G581 VanDerWaalsContact O-N 3.12Å
582G91.6Very high94.8Very high17 Ų1731.1 Ų31.118%0.17519%0.186CC..  trans79178.7-169.500000113.3P579 Q580 L644P579-G582 WeakPolarHBondContact CG-O 3.21Å; P579-G582 PolarHBondContact O-N 3.5Å; Q580-G582 VanDerWaalsContact C-N 3.29Å; Q580-G582 PolarHBondContact O-N 3.09Å; G582-L644 CarbonylContact C-O 3.38Å; G582-L644 WeakPolarHBondContact CA-O 3.22Å
583A90.1Very high94.5Very high16 Ų1631.9 Ų31.913%0.13219%0.19CC..EExtended strand (participates in β ladder)trans-145.5160.6179.400000112.3L644 C675A583-L644 HydrophobicContact CB-CB 4.24Å; A583-L644 HydrophobicContact CB-CD1 4.3Å; A583-L644 PolarHBondContact N-O 2.64Å; A583-L644 PolarHBondContact O-N 2.8Å; A583-C675 VanDerWaalsContact CB-SG 3.54Å
584A92.5Very high94.2Very high40 Ų4032 Ų3233%0.33120%0.195SC..EExtended strand (participates in β ladder)trans-126.1126.9165.900000108.5I642A584-I642 WeakPolarHBondContact CA-O 3.35Å
585V95.8Very high93.7Very high0 Ų035.6 Ų35.60%022%0.215CC..EExtended strand (participates in β ladder)trans-123.3125.5176.4-176.70000108.1L574 V576 I642 V671 Y672L574-V585 HydrophobicContact CD2-CG1 4.03Å; V576-V585 HydrophobicContact CB-CG2 4.45Å; V576-V585 HydrophobicContact CG1-CG2 3.64Å; V576-V585 HydrophobicContact CG2-CG2 3.94Å; V585-I642 PolarHBondContact N-O 2.92Å; V585-I642 PolarHBondContact O-N 3.02Å; V585-V671 HydrophobicContact CG1-CG1 3.59Å; V585-Y672 WeakPolarHBondContact CA-O 3.25Å
586W97.9Very high93.1Very high29 Ų2935.6 Ų35.611%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-109.6137.9-178.3-65.79.9000109.1I404 W538 F543 L639 T640 K641 V671 Y672I404-W586 HydrophobicContact CD1-CE3 4.19Å; I404-W586 HydrophobicContact CG2-CE3 4.34Å; W538-W586 HydrophobicContact CB-CH2 4.37Å; W538-W586 HydrophobicContact CB-CZ3 3.86Å; W538-W586 AromaticContact CD1-CZ3 3.7Å; W538-W586 AromaticContact CD2-CH2 3.75Å; W538-W586 HydrophobicContact CD2-CH2 3.75Å; W538-W586 HydrophobicContact CD2-CZ3 4.07Å; W538-W586 AromaticContact CE2-CH2 3.9Å; W538-W586 HydrophobicContact CE3-CH2 4.24Å; W538-W586 AromaticContact CG-CH2 3.82Å; W538-W586 HydrophobicContact CG-CH2 3.82Å; W538-W586 AromaticContact CG-CZ3 3.61Å; W538-W586 HydrophobicContact CG-CZ3 3.61Å; W538-W586 HydrophobicContact CZ2-CH2 4.48Å; F543-W586 HydrophobicContact CE1-CD2 4.29Å; F543-W586 HydrophobicContact CE1-CG 4.25Å; F543-W586 HydrophobicContact CE2-CD2 4.26Å; F543-W586 AromaticContact CE2-CE3 3.95Å; F543-W586 HydrophobicContact CE2-CE3 3.95Å; F543-W586 HydrophobicContact CE2-CZ3 4.2Å; F543-W586 HydrophobicContact CZ-CB 4.45Å; F543-W586 AromaticContact CZ-CD2 3.49Å; F543-W586 HydrophobicContact CZ-CD2 3.49Å; F543-W586 VanDerWaalsContact CZ-CD2 3.49Å; F543-W586 AromaticContact CZ-CE2 3.77Å; F543-W586 AromaticContact CZ-CE3 3.65Å; F543-W586 HydrophobicContact CZ-CE3 3.65Å; F543-W586 AromaticContact CZ-CG 3.88Å; F543-W586 HydrophobicContact CZ-CG 3.88Å; F543-W586 HydrophobicContact CZ-CH2 4.31Å; F543-W586 HydrophobicContact CZ-CZ2 4.18Å; F543-W586 HydrophobicContact CZ-CZ3 4.07Å; W586-L639 HydrophobicContact CB-CD1 4.14Å; W586-L639 HydrophobicContact CE3-CD1 4.43Å; W586-L639 HydrophobicContact CE3-CD2 3.94Å; W586-L639 HydrophobicContact CZ3-CD2 4.29Å; W586-T640 CarbonylContact C-O 3.48Å; W586-T640 WeakPolarHBondContact CA-O 3.38Å; W586-K641 HydrophobicContact CD2-CD 4.14Å; W586-K641 HydrophobicContact CD2-CG 4.03Å; W586-K641 VanDerWaalsContact CE2-CE 3.45Å; W586-K641 HydrophobicContact CG-CG 3.93Å; W586-K641 HydrophobicContact CZ2-CD 3.94Å; W586-K641 VanDerWaalsContact CZ2-CE 3.43Å; W586-V671 CarbonylContact O-C 3.6Å; W586-V671 WeakPolarHBondContact O-CA 3.36Å; W586-Y672 PolarHBondContact N-O 3.49Å; W586-Y672 PolarHBondContact O-N 3.32Å
587V98.2Very high92.5Very high0 Ų040 Ų400%024%0.237CC..EExtended strand (participates in β ladder)trans-123111.2179.5-175.30000107.9L574 M608 T640 I642 L654 V669 V671L574-V587 HydrophobicContact CD2-CG2 4.06Å; V587-M608 HydrophobicContact CG1-CE 4.26Å; V587-T640 PolarHBondContact N-O 3.04Å; V587-T640 PolarHBondContact O-N 3.44Å; V587-I642 HydrophobicContact CG2-CD1 4.48Å; V587-L654 HydrophobicContact CG1-CD1 4.17Å; V587-L654 HydrophobicContact CG2-CD1 4.12Å; V587-V669 HydrophobicContact CG1-CG1 3.6Å; V587-V671 HydrophobicContact CG2-CG2 4.35Å
588L98.3Very high91.6Very high3 Ų337.8 Ų37.82%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-94.6115.7175.6-179.965.2000109.1I404 P405 H637 L639 V669 R670 Y672I404-L588 HydrophobicContact CG2-CD2 4.35Å; P405-L588 HydrophobicContact CG-CD1 3.94Å; L588-H637 HydrophobicContact CD1-CB 4.22Å; L588-L639 HydrophobicContact CB-CD1 4.11Å; L588-L639 HydrophobicContact CD1-CB 4.45Å; L588-L639 HydrophobicContact CD1-CD1 4.31Å; L588-V669 WeakPolarHBondContact O-CA 3.41Å; L588-R670 PolarHBondContact N-O 2.67Å; L588-R670 PolarHBondContact O-N 3.11Å; L588-Y672 HydrophobicContact CB-CE2 4.04Å; L588-Y672 HydrophobicContact CD2-CE2 4.41Å
589L97.8Very high90.7Very high2 Ų238.9 Ų38.91%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-91.7119164.6173.665000108.1I606 T607 M608 H637 Y638 V656 Y667 V669L589-I606 HydrophobicContact CD2-CB 4.2Å; L589-I606 HydrophobicContact CD2-CD1 4.16Å; L589-I606 HydrophobicContact CD2-CG1 4.3Å; L589-I606 HydrophobicContact CG-CD1 4.21Å; L589-T607 WeakPolarHBondContact CD2-O 3.42Å; L589-M608 HydrophobicContact CB-CE 4.29Å; L589-H637 WeakPolarHBondContact O-CA 3.47Å; L589-Y638 PolarHBondContact N-O 2.76Å; L589-Y638 PolarHBondContact O-N 2.88Å; L589-V656 HydrophobicContact CD1-CG1 4.32Å; L589-V656 HydrophobicContact CD1-CG2 4.22Å; L589-V656 HydrophobicContact CD2-CG1 4.24Å; L589-Y667 HydrophobicContact CD1-CD2 3.61Å; L589-Y667 HydrophobicContact CD1-CE2 4.4Å; L589-Y667 HydrophobicContact CD1-CG 4.06Å; L589-V669 HydrophobicContact CD1-CG2 3.86Å
590S96.6Very high89.5Confident4 Ų439 Ų393%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-119103.6176.6-700000110.1H592 P636 H637 Y667 T668S590-H592 PolarHBondContact O-CD2 2.86Å; S590-P636 CarbonylContact C-O 3.59Å; S590-P636 VanDerWaalsContact CA-O 3.28Å; S590-P636 WeakPolarHBondContact CA-O 3.29Å; S590-H637 PolarHBondContact OG-ND1 2.8Å; S590-Y667 CarbonylContact O-C 3.54Å; S590-Y667 VanDerWaalsContact O-CA 3.25Å; S590-Y667 WeakPolarHBondContact O-CA 3.43Å; S590-Y667 WeakPolarHBondContact O-CB 3.43Å; S590-T668 PolarHBondContact N-O 3.41Å; S590-T668 PolarHBondContact O-N 2.84Å
591R94.6Very high88.6Confident9 Ų934 Ų343%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-64.8138.3167.9-178.9173.866.878.2-7.2109.3D598 I606 P636 I665R591-D598 IonicContact CZ-OD1 2.67Å; R591-D598 IonicContact CZ-OD2 3.24Å; R591-D598 IonicContact NH1-OD1 3.32Å; R591-D598 PolarHBondContact NH1-OD1 3.38Å; R591-D598 IonicContact NH1-OD2 2.71Å; R591-D598 PolarHBondContact NH1-OD2 3.1Å; R591-D598 IonicContact NH2-OD1 2.9Å; R591-D598 PolarHBondContact NH2-OD1 2.99Å; R591-D598 IonicContact NH2-OD2 3.68Å; R591-D598 PolarHBondContact NH2-OD2 2.67Å; R591-I606 HydrophobicContact CB-CD1 3.75Å; R591-I606 HydrophobicContact CB-CG2 4.47Å; R591-P636 PolarHBondContact N-O 3.24Å; R591-I665 HydrophobicContact CG-CB 4.48Å
592H94.6Very high87.8Confident9 Ų932.1 Ų32.14%0.04219%0.188CC..  trans-83.2142.1177.6-63.3-171.4000109.5T215 N339 S590 H666 Y667 T668T215-H592 HydrophobicContact CG2-CB 3.84Å; T215-H592 PolarHBondContact OG1-ND1 2.86Å; N339-H592 HydrophobicContact CB-CB 3.94Å; N339-H592 PolarHBondContact O-CE1 2.79Å; N339-H592 PolarHBondContact O-NE2 3.42Å; N339-H592 VanDerWaalsContact OD1-CA 3.24Å; N339-H592 WeakPolarHBondContact OD1-CA 3.4Å; S590-H592 PolarHBondContact O-CD2 2.86Å; H592-H666 HydrophobicContact CB-CB 4.04Å; H592-H666 PolarHBondContact N-O 3.22Å; H592-Y667 VanDerWaalsContact NE2-C 3.3Å; H592-T668 PolarHBondContact NE2-N 3.05Å; H592-T668 PolarHBondContact NE2-OG1 3.11Å
593I90.7Very high86.9Confident19 Ų1938.6 Ų38.610%0.09721%0.207CC..  trans-114.1131.1178-56160.4000108.3N339 D595 D598 F599 P636N339-I593 PolarHBondContact ND2-O 2.78Å; N339-I593 PolarHBondContact OD1-N 3.47Å; N339-I593 PolarHBondContact OD1-O 3.15Å; I593-D595 WeakPolarHBondContact CG2-O 3.48Å; I593-D598 HydrophobicContact CG2-CB 4.04Å; I593-F599 HydrophobicContact CD1-CE1 4.23Å; I593-F599 HydrophobicContact CD1-CE2 3.99Å; I593-F599 HydrophobicContact CD1-CZ 3.61Å; I593-F599 HydrophobicContact CG2-CD2 4.28Å; I593-F599 HydrophobicContact CG2-CE2 3.73Å; I593-F599 HydrophobicContact CG2-CZ 4.46Å; I593-P636 HydrophobicContact CD1-CB 3.67Å; I593-P636 HydrophobicContact CD1-CG 3.81Å; I593-P636 HydrophobicContact CG1-CB 4.15Å
594T91.1Very high86.5Confident58 Ų5838.2 Ų38.236%0.35620%0.203SC..  trans-127.1-3.1-177.650.80000113.4T215 K217 I218 N219T215-T594 HydrophobicContact CG2-CG2 4.01Å; K217-T594 WeakPolarHBondContact O-CB 3.21Å; I218-T594 CarbonylContact C-O 3.59Å; I218-T594 WeakPolarHBondContact CA-O 3.48Å; N219-T594 PolarHBondContact N-O 3.39Å
595D87.3Confident86.4Confident77 Ų7739.9 Ų39.941%0.41220%0.203SC..  trans-146.4144.4-177-158.8-57.4000110I593 D597 D598I593-D595 WeakPolarHBondContact CG2-O 3.48Å; D595-D597 VanDerWaalsContact C-N 3.32Å; D595-D597 WeakPolarHBondContact OD1-CB 3.46Å; D595-D597 PolarHBondContact OD1-N 2.9Å; D595-D598 VanDerWaalsContact O-CB 3.24Å; D595-D598 WeakPolarHBondContact O-CB 3.48Å; D595-D598 PolarHBondContact O-N 2.95Å
596K84.3Confident86.2Confident46 Ų4639.9 Ų39.920%0.220%0.203CC..THydrogen-bonded Turntrans-72.7-25.617774.4-177.8-167.2178.70112.9N219 M383 G384 D387 D598 F599 A600N219-K596 WeakPolarHBondContact OD1-CB 3.12Å; N219-K596 PolarHBondContact OD1-N 2.95Å; M383-K596 WeakPolarHBondContact O-CB 3.36Å; G384-K596 PolarHBondContact O-NZ 2.86Å; D387-K596 IonicContact OD1-NZ 3.21Å; D387-K596 PolarHBondContact OD1-NZ 2.8Å; D387-K596 IonicContact OD2-NZ 3.33Å; D387-K596 PolarHBondContact OD2-NZ 3.01Å; K596-D598 PolarHBondContact O-N 3.06Å; K596-F599 PolarHBondContact O-N 3.34Å; K596-F599 VanDerWaalsContact O-N 3.08Å; K596-A600 PolarHBondContact O-N 2.8Å
597D82.8Confident86.1Confident92 Ų9238.5 Ų38.549%0.49220%0.198SC..Hα-helixtrans-66.7-17177.4-80.18000112.2D595 F599 A600 N601D595-D597 VanDerWaalsContact C-N 3.32Å; D595-D597 WeakPolarHBondContact OD1-CB 3.46Å; D595-D597 PolarHBondContact OD1-N 2.9Å; D597-F599 VanDerWaalsContact C-N 3.35Å; D597-A600 PolarHBondContact O-N 2.76Å; D597-N601 VanDerWaalsContact O-CB 3.3Å; D597-N601 WeakPolarHBondContact O-CB 3.36Å; D597-N601 PolarHBondContact O-N 3.02Å; D597-N601 PolarHBondContact O-ND2 3.48Å
598D77.6Confident86Confident38 Ų3838.5 Ų38.520%0.20320%0.198CC..Hα-helixtrans-58.2-44.1169-169.687.1000111.7R591 I593 D595 K596 N602R591-D598 IonicContact CZ-OD1 2.67Å; R591-D598 IonicContact CZ-OD2 3.24Å; R591-D598 IonicContact NH1-OD1 3.32Å; R591-D598 PolarHBondContact NH1-OD1 3.38Å; R591-D598 IonicContact NH1-OD2 2.71Å; R591-D598 PolarHBondContact NH1-OD2 3.1Å; R591-D598 IonicContact NH2-OD1 2.9Å; R591-D598 PolarHBondContact NH2-OD1 2.99Å; R591-D598 IonicContact NH2-OD2 3.68Å; R591-D598 PolarHBondContact NH2-OD2 2.67Å; I593-D598 HydrophobicContact CG2-CB 4.04Å; D595-D598 VanDerWaalsContact O-CB 3.24Å; D595-D598 WeakPolarHBondContact O-CB 3.48Å; D595-D598 PolarHBondContact O-N 2.95Å; K596-D598 PolarHBondContact O-N 3.06Å; D598-N602 WeakPolarHBondContact O-CA 3.36Å; D598-N602 PolarHBondContact O-N 2.7Å
599F73.5Confident85.9Confident30 Ų3038.4 Ų38.413%0.13220%0.197CC..Hα-helixtrans-71.1-38.7175.7-66.8-94.2000112.2M383 F388 I395 I593 K596 D597M383-F599 HydrophobicContact CE-CE2 4.22Å; M383-F599 HydrophobicContact CE-CZ 3.69Å; M383-F599 HydrophobicContact SD-CE2 3.55Å; M383-F599 VanDerWaalsContact SD-CE2 3.55Å; M383-F599 HydrophobicContact SD-CZ 3.64Å; F388-F599 HydrophobicContact CE2-CB 4.02Å; F388-F599 AromaticContact CE2-CD1 3.99Å; F388-F599 HydrophobicContact CE2-CD1 3.99Å; F388-F599 AromaticContact CE2-CD2 3.67Å; F388-F599 HydrophobicContact CE2-CD2 3.67Å; F388-F599 HydrophobicContact CE2-CE1 4.28Å; F388-F599 AromaticContact CE2-CE2 3.97Å; F388-F599 HydrophobicContact CE2-CE2 3.97Å; F388-F599 AromaticContact CE2-CG 3.66Å; F388-F599 HydrophobicContact CE2-CG 3.66Å; F388-F599 HydrophobicContact CE2-CZ 4.26Å; F388-F599 AromaticContact CZ-CD1 3.87Å; F388-F599 HydrophobicContact CZ-CD1 3.87Å; F388-F599 HydrophobicContact CZ-CD2 4.3Å; F388-F599 AromaticContact CZ-CE1 3.95Å; F388-F599 HydrophobicContact CZ-CE1 3.95Å; F388-F599 HydrophobicContact CZ-CE2 4.35Å; F388-F599 HydrophobicContact CZ-CG 4.04Å; F388-F599 HydrophobicContact CZ-CZ 4.18Å; I395-F599 HydrophobicContact CD1-CE1 3.88Å; I395-F599 HydrophobicContact CG2-CE1 4.31Å; I593-F599 HydrophobicContact CD1-CE1 4.23Å; I593-F599 HydrophobicContact CD1-CE2 3.99Å; I593-F599 HydrophobicContact CD1-CZ 3.61Å; I593-F599 HydrophobicContact CG2-CD2 4.28Å; I593-F599 HydrophobicContact CG2-CE2 3.73Å; I593-F599 HydrophobicContact CG2-CZ 4.46Å; K596-F599 PolarHBondContact O-N 3.34Å; K596-F599 VanDerWaalsContact O-N 3.08Å; D597-F599 VanDerWaalsContact C-N 3.35Å
600A69.4Low85.9Confident65 Ų6538.3 Ų38.354%0.53720%0.197SC..Hα-helixtrans-71.4-32.6-177.400000113.1K596 D597K596-A600 PolarHBondContact O-N 2.8Å; D597-A600 PolarHBondContact O-N 2.76Å
601N70.2Confident85.9Confident77 Ų7738.4 Ų38.441%0.41220%0.196SC..Hα-helixtrans-101-31.7-178.7-71.5-89.1000113.4D597 R603D597-N601 VanDerWaalsContact O-CB 3.3Å; D597-N601 WeakPolarHBondContact O-CB 3.36Å; D597-N601 PolarHBondContact O-N 3.02Å; D597-N601 PolarHBondContact O-ND2 3.48Å; N601-R603 HydrophobicContact CB-CG 4.09Å; N601-R603 VanDerWaalsContact O-CG 3.27Å; N601-R603 WeakPolarHBondContact O-CG 3.44Å; N601-R603 PolarHBondContact O-N 3.31Å; N601-R603 VanDerWaalsContact O-N 3.15Å; N601-R603 PolarHBondContact OD1-NH2 3.02Å
602N68.8Low85.9Confident44 Ų4443 Ų4324%0.23522%0.216CC..  trans36.453175.9-151.66000116.9D598 N634D598-N602 WeakPolarHBondContact O-CA 3.36Å; D598-N602 PolarHBondContact O-N 2.7Å; N602-N634 VanDerWaalsContact CG-O 3.31Å; N602-N634 PolarHBondContact ND2-ND2 2.89Å; N602-N634 PolarHBondContact ND2-O 2.85Å; N602-N634 PolarHBondContact O-ND2 3.22Å; N602-N634 WeakPolarHBondContact OD1-CB 3.4Å; N602-N634 PolarHBondContact OD1-O 3.19Å
603R73.6Confident85.7Confident152 Ų15243.6 Ų43.657%0.57422%0.221SC*.  trans-88.4-17-172.9-53.5-175.9-170.1170.87.4114.4N601 F605N601-R603 HydrophobicContact CB-CG 4.09Å; N601-R603 VanDerWaalsContact O-CG 3.27Å; N601-R603 WeakPolarHBondContact O-CG 3.44Å; N601-R603 PolarHBondContact O-N 3.31Å; N601-R603 VanDerWaalsContact O-N 3.15Å; N601-R603 PolarHBondContact OD1-NH2 3.02Å; R603-F605 WeakPolarHBondContact O-CD2 3.26Å; R603-F605 PolarHBondContact O-N 3.18Å
604E81.8Confident85.6Confident9 Ų948.8 Ų48.84%0.04225%0.249CC..  trans-94.293.1-170.5-69.2-62.4165.400112Q658 N663E604-Q658 PolarHBondContact OE2-NE2 2.96Å; E604-N663 WeakPolarHBondContact OE1-CB 3.48Å; E604-N663 PolarHBondContact OE1-N 3.17Å; E604-N663 VanDerWaalsContact OE1-N 3.11Å; E604-N663 PolarHBondContact OE1-ND2 2.73Å
605F89.3Confident85.3Confident74 Ų7446.6 Ų46.633%0.32524%0.238SC..  trans-87109.9177.6-68.8-103.2000111.1R603 R632 I633 N634 Q658 Y659R603-F605 WeakPolarHBondContact O-CD2 3.26Å; R603-F605 PolarHBondContact O-N 3.18Å; F605-R632 HydrophobicContact CB-CB 4.48Å; F605-I633 CarbonylContact C-O 3.2Å; F605-I633 WeakPolarHBondContact CA-O 3.5Å; F605-N634 HydrophobicContact CD1-CB 3.81Å; F605-N634 HydrophobicContact CD2-CB 4.17Å; F605-N634 HydrophobicContact CE1-CB 3.68Å; F605-N634 HydrophobicContact CE2-CB 4.04Å; F605-N634 HydrophobicContact CG-CB 4.04Å; F605-N634 HydrophobicContact CZ-CB 3.8Å; F605-Q658 VanDerWaalsContact O-CA 3.29Å; F605-Q658 WeakPolarHBondContact O-CA 3.48Å; F605-Y659 PolarHBondContact O-N 2.59Å
606I92.3Very high85.4Confident1 Ų148.3 Ų48.31%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-102.9157.8-178.667-178.7000112.1L589 R591 R632 I633 S635 P636 S657 Q658 I665L589-I606 HydrophobicContact CD2-CB 4.2Å; L589-I606 HydrophobicContact CD2-CD1 4.16Å; L589-I606 HydrophobicContact CD2-CG1 4.3Å; L589-I606 HydrophobicContact CG-CD1 4.21Å; R591-I606 HydrophobicContact CB-CD1 3.75Å; R591-I606 HydrophobicContact CB-CG2 4.47Å; I606-R632 WeakPolarHBondContact O-CA 3.36Å; I606-I633 PolarHBondContact N-O 2.83Å; I606-I633 PolarHBondContact O-N 2.78Å; I606-S635 WeakPolarHBondContact CD1-O 3.43Å; I606-P636 WeakPolarHBondContact CD1-O 3.28Å; I606-S657 CarbonylContact C-O 3.51Å; I606-Q658 HydrophobicContact CG2-CG 4.42Å; I606-I665 HydrophobicContact CG2-CD1 4.14Å
607T94.6Very high85.8Confident0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans-156.4173.2162.6-150.90000112.8L589 V609 G630 I631 R632 Y638 S657L589-T607 WeakPolarHBondContact CD2-O 3.42Å; T607-V609 HydrophobicContact CG2-CG2 3.99Å; T607-G630 WeakPolarHBondContact OG1-CA 3.11Å; T607-G630 PolarHBondContact OG1-O 2.95Å; T607-I631 WeakPolarHBondContact CB-O 3.39Å; T607-I631 PolarHBondContact OG1-O 3.37Å; T607-R632 HydrophobicContact CG2-CG 3.45Å; T607-R632 VanDerWaalsContact CG2-CG 3.45Å; T607-Y638 WeakPolarHBondContact OG1-CE1 3.41Å; T607-S657 PolarHBondContact N-O 3.14Å; T607-S657 PolarHBondContact O-N 3.32Å
608M96Very high86.4Confident0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-117127.4168.8-177.166.571.100109.2V587 L589 Y638 L654 V656 V669V587-M608 HydrophobicContact CG1-CE 4.26Å; L589-M608 HydrophobicContact CB-CE 4.29Å; M608-Y638 HydrophobicContact CB-CD1 3.92Å; M608-Y638 HydrophobicContact CB-CE1 3.99Å; M608-L654 HydrophobicContact SD-CB 3.74Å; M608-V656 HydrophobicContact CE-CG2 3.77Å; M608-V656 HydrophobicContact SD-CG2 4.35Å; M608-V669 HydrophobicContact CE-CG1 3.91Å; M608-V669 HydrophobicContact CE-CG2 3.74Å
609V96.7Very high87.1Confident1 Ų143.7 Ų43.71%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-107.7135.4175-171.10000108.8T607 Y611 P626 I628 V655T607-V609 HydrophobicContact CG2-CG2 3.99Å; V609-Y611 HydrophobicContact CB-CE2 3.94Å; V609-Y611 HydrophobicContact CG1-CD2 4.12Å; V609-Y611 HydrophobicContact CG1-CE2 3.33Å; V609-P626 HydrophobicContact CG1-CB 3.68Å; V609-I628 WeakPolarHBondContact CA-O 3.23Å; V609-I628 WeakPolarHBondContact CG1-O 3.33Å; V609-V655 HydrophobicContact CB-CB 4.48Å; V609-V655 PolarHBondContact N-O 3.01Å; V609-V655 PolarHBondContact O-N 3.41Å
610V97.4Very high88.1Confident0 Ų043.2 Ų43.20%021%0.213CC..EExtended strand (participates in β ladder)trans-114.4130-176.7-1760000110.2Y627 I628 T640 I642 F652 L654V610-Y627 HydrophobicContact CG1-CD1 4.11Å; V610-Y627 WeakPolarHBondContact O-CA 3.34Å; V610-Y627 WeakPolarHBondContact O-CB 3.27Å; V610-Y627 PolarHBondContact O-N 3.29Å; V610-I628 HydrophobicContact CB-CB 3.98Å; V610-I628 HydrophobicContact CB-CD1 4.44Å; V610-I628 HydrophobicContact CB-CG1 4.23Å; V610-I628 HydrophobicContact CG2-CB 4.13Å; V610-I628 HydrophobicContact CG2-CD1 4.24Å; V610-I628 HydrophobicContact CG2-CG1 4.45Å; V610-I628 PolarHBondContact N-O 3Å; V610-I628 PolarHBondContact O-N 2.86Å; V610-I628 VanDerWaalsContact O-N 3.09Å; V610-T640 HydrophobicContact CG2-CG2 3.84Å; V610-I642 HydrophobicContact CG1-CD1 4.16Å; V610-I642 HydrophobicContact CG2-CD1 4.43Å; V610-F652 HydrophobicContact CG1-CB 4.18Å; V610-F652 HydrophobicContact CG1-CD1 3.6Å; V610-F652 HydrophobicContact CG1-CE1 4.38Å; V610-F652 HydrophobicContact CG1-CG 4.19Å; V610-L654 HydrophobicContact CB-CD2 4.35Å; V610-L654 HydrophobicContact CG1-CD2 3.98Å; V610-L654 HydrophobicContact CG2-CD2 3.77Å
611Y97.3Very high89.1Confident5 Ų541.7 Ų41.72%0.0220%0.198CC..EExtended strand (participates in β ladder)trans-122.3155.1176.4-62.7-94.6000111.3L566 V609 V618 P621 P624 P626 F652 T653 V655L566-Y611 HydrophobicContact CD1-CE2 4.05Å; L566-Y611 VanDerWaalsContact CD1-OH 3.26Å; L566-Y611 WeakPolarHBondContact CD1-OH 3.21Å; V609-Y611 HydrophobicContact CB-CE2 3.94Å; V609-Y611 HydrophobicContact CG1-CD2 4.12Å; V609-Y611 HydrophobicContact CG1-CE2 3.33Å; Y611-V618 HydrophobicContact CD1-CG1 4.21Å; Y611-V618 HydrophobicContact CD1-CG2 4.23Å; Y611-V618 HydrophobicContact CD2-CB 4.38Å; Y611-V618 HydrophobicContact CD2-CG1 4.24Å; Y611-V618 HydrophobicContact CD2-CG2 3.78Å; Y611-V618 HydrophobicContact CE1-CG1 4.01Å; Y611-V618 HydrophobicContact CE2-CB 4.49Å; Y611-V618 HydrophobicContact CE2-CG1 4.02Å; Y611-V618 HydrophobicContact CE2-CG2 4.36Å; Y611-V618 HydrophobicContact CG-CG1 4.33Å; Y611-V618 HydrophobicContact CG-CG2 3.7Å; Y611-P621 PolarHBondContact OH-O 3Å; Y611-P624 HydrophobicContact CD1-CG 4.5Å; Y611-P624 WeakPolarHBondContact CD1-O 3.24Å; Y611-P624 VanDerWaalsContact CE1-O 3.29Å; Y611-P624 WeakPolarHBondContact CE1-O 3.24Å; Y611-P626 HydrophobicContact CD1-CB 4.28Å; Y611-P626 HydrophobicContact CE1-CB 3.81Å; Y611-F652 WeakPolarHBondContact O-CA 3.31Å; Y611-T653 PolarHBondContact N-O 3.01Å; Y611-T653 PolarHBondContact O-N 3.34Å; Y611-V655 HydrophobicContact CD2-CG2 3.9Å; Y611-V655 HydrophobicContact CE2-CB 4.35Å; Y611-V655 HydrophobicContact CE2-CG2 3.86Å
612K94.1Very high90.1Very high105 Ų10541.7 Ų41.746%0.45721%0.208SC..  trans-106.885.9169.8-71.1-172.3175.4-169.80109.5Y627 F652K612-Y627 HydrophobicContact CD-CD2 4.24Å; K612-Y627 HydrophobicContact CD-CG 4.25Å; K612-Y627 HydrophobicContact CG-CD1 4.38Å; K612-Y627 HydrophobicContact CG-CG 4.13Å; K612-F652 HydrophobicContact CD-CE1 4.3Å; K612-F652 VanDerWaalsContact CE-CE1 3.48Å; K612-F652 HydrophobicContact CG-CD1 3.99Å; K612-F652 HydrophobicContact CG-CE1 3.85Å
613T90.5Very high91Very high23 Ų2343 Ų4314%0.14122%0.215CC..SBendtrans-126.324.5-179.449.50000111.7G615 K616 V618 P624 T653T613-G615 PolarHBondContact O-N 3.03Å; T613-K616 VanDerWaalsContact O-CB 3.28Å; T613-K616 WeakPolarHBondContact O-CB 3.39Å; T613-K616 WeakPolarHBondContact O-CG 3.09Å; T613-K616 PolarHBondContact O-N 2.95Å; T613-K616 PolarHBondContact OG1-O 3.3Å; T613-V618 HydrophobicContact CG2-CG2 4.14Å; T613-P624 HydrophobicContact CG2-CG 3.46Å; T613-P624 VanDerWaalsContact CG2-CG 3.46Å; T613-T653 WeakPolarHBondContact OG1-CB 3.48Å; T613-T653 PolarHBondContact OG1-OG1 3.48Å
614D88.6Confident91.9Very high128 Ų12838.2 Ų38.268%0.68420%0.204SC*.THydrogen-bonded Turntrans54.225.9-178-55.1-41.3000114.9K616 T651D614-K616 VanDerWaalsContact C-N 3.35Å; D614-T651 WeakPolarHBondContact O-CG2 3.12Å
615G85.3Confident92.5Very high12 Ų1242.5 Ų42.512%0.12423%0.232CC..THydrogen-bonded Turntrans85.33.1-176.600000114.2T613 T653 I682T613-G615 PolarHBondContact O-N 3.03Å; G615-T653 VanDerWaalsContact CA-OG1 3.31Å; G615-T653 WeakPolarHBondContact CA-OG1 3.38Å; G615-I682 WeakPolarHBondContact O-CD1 3.19Å
616K90.4Very high92.8Very high113 Ų11341.1 Ų41.149%0.49123%0.231SC..PPolyproline II helixtrans-71.4149.6169.6-59.9-164-178-167.10110.8T613 D614 T653 E775T613-K616 VanDerWaalsContact O-CB 3.28Å; T613-K616 WeakPolarHBondContact O-CB 3.39Å; T613-K616 WeakPolarHBondContact O-CG 3.09Å; T613-K616 PolarHBondContact O-N 2.95Å; T613-K616 PolarHBondContact OG1-O 3.3Å; D614-K616 VanDerWaalsContact C-N 3.35Å; K616-T653 PolarHBondContact O-OG1 3.39Å; K616-E775 IonicContact NZ-OE1 2.79Å; K616-E775 PolarHBondContact NZ-OE1 2.87Å
617K92.4Very high93Very high73 Ų7345.8 Ų45.832%0.31725%0.249SC..PPolyproline II helixtrans-66.1137.7-177.7-169.4175.8177.2-176.80111.2A567 Y619 I682A567-K617 WeakPolarHBondContact O-CE 3.46Å; A567-K617 PolarHBondContact O-NZ 3.27Å; K617-Y619 HydrophobicContact CB-CE2 4.05Å; K617-Y619 HydrophobicContact CD-CE1 4.24Å; K617-Y619 HydrophobicContact CD-CE2 4.41Å; K617-Y619 HydrophobicContact CG-CE2 4.29Å; K617-Y619 WeakPolarHBondContact O-CD2 3.49Å; K617-I682 HydrophobicContact CB-CG2 4.41Å
618V94.2Very high93.1Very high2 Ų247.9 Ų47.91%0.01226%0.26CS..PPolyproline II helixtrans-95.1122.2178.4179.50000109.5L566 Q571 Y611 T613 Y620 T653 V655L566-V618 HydrophobicContact CD1-CG1 3.93Å; Q571-V618 PolarHBondContact NE2-O 3.05Å; Y611-V618 HydrophobicContact CD1-CG1 4.21Å; Y611-V618 HydrophobicContact CD1-CG2 4.23Å; Y611-V618 HydrophobicContact CD2-CB 4.38Å; Y611-V618 HydrophobicContact CD2-CG1 4.24Å; Y611-V618 HydrophobicContact CD2-CG2 3.78Å; Y611-V618 HydrophobicContact CE1-CG1 4.01Å; Y611-V618 HydrophobicContact CE2-CB 4.49Å; Y611-V618 HydrophobicContact CE2-CG1 4.02Å; Y611-V618 HydrophobicContact CE2-CG2 4.36Å; Y611-V618 HydrophobicContact CG-CG1 4.33Å; Y611-V618 HydrophobicContact CG-CG2 3.7Å; T613-V618 HydrophobicContact CG2-CG2 4.14Å; V618-Y620 VanDerWaalsContact CG1-O 3.3Å; V618-Y620 WeakPolarHBondContact CG1-O 3.28Å; V618-T653 HydrophobicContact CG2-CG2 3.84Å; V618-V655 HydrophobicContact CB-CG2 4.41Å
619Y93.3Very high93Very high4 Ų452.2 Ų52.22%0.01628%0.283CS..  trans-100.8-30.6-176.6-71.5-88.5000113.3S565 L566 A567 K617 L728 F769 Y771 E773S565-Y619 WeakPolarHBondContact CA-O 3.31Å; L566-Y619 PolarHBondContact N-O 3.19Å; A567-Y619 HydrophobicContact CB-CD1 3.66Å; A567-Y619 HydrophobicContact CB-CE1 4.2Å; K617-Y619 HydrophobicContact CB-CE2 4.05Å; K617-Y619 HydrophobicContact CD-CE1 4.24Å; K617-Y619 HydrophobicContact CD-CE2 4.41Å; K617-Y619 HydrophobicContact CG-CE2 4.29Å; K617-Y619 WeakPolarHBondContact O-CD2 3.49Å; Y619-L728 HydrophobicContact CE1-CD1 4.04Å; Y619-L728 HydrophobicContact CE1-CD2 4.08Å; Y619-L728 WeakPolarHBondContact OH-CD2 3.43Å; Y619-F769 HydrophobicContact CD1-CZ 4.39Å; Y619-Y771 HydrophobicContact CD1-CD1 4.18Å; Y619-Y771 HydrophobicContact CD1-CD2 4.14Å; Y619-Y771 HydrophobicContact CD1-CE1 4.38Å; Y619-Y771 HydrophobicContact CD1-CE2 4.33Å; Y619-Y771 HydrophobicContact CD1-CG 4.07Å; Y619-Y771 HydrophobicContact CD2-CD1 4.46Å; Y619-Y771 HydrophobicContact CD2-CD2 4.07Å; Y619-Y771 AromaticContact CD2-CE1 3.9Å; Y619-Y771 HydrophobicContact CD2-CE1 3.9Å; Y619-Y771 AromaticContact CD2-CE2 3.44Å; Y619-Y771 HydrophobicContact CD2-CE2 3.44Å; Y619-Y771 VanDerWaalsContact CD2-CE2 3.44Å; Y619-Y771 AromaticContact CD2-CZ 3.35Å; Y619-Y771 HydrophobicContact CE1-CD2 4.26Å; Y619-Y771 HydrophobicContact CE2-CD2 4.16Å; Y619-Y771 AromaticContact CE2-CE2 3.65Å; Y619-Y771 HydrophobicContact CE2-CE2 3.65Å; Y619-Y771 AromaticContact CG-CD1 3.86Å; Y619-Y771 HydrophobicContact CG-CD1 3.86Å; Y619-Y771 HydrophobicContact CG-CD2 4.06Å; Y619-Y771 AromaticContact CG-CE1 3.62Å; Y619-Y771 HydrophobicContact CG-CE1 3.62Å; Y619-Y771 AromaticContact CG-CE2 3.81Å; Y619-Y771 HydrophobicContact CG-CE2 3.81Å; Y619-Y771 HydrophobicContact CG-CG 4.09Å; Y619-Y771 AromaticContact CG-CZ 3.59Å; Y619-E773 PolarHBondContact OH-OE1 2.7Å
620Y93.1Very high92.7Very high20 Ų2052.2 Ų52.28%0.07828%0.283CS..BIsolated β-bridgetrans-117.3143.6-179.5-55.7-56.6000111.3V618 A622 D623 F769 C770 Y771V618-Y620 VanDerWaalsContact CG1-O 3.3Å; V618-Y620 WeakPolarHBondContact CG1-O 3.28Å; Y620-A622 PolarHBondContact O-N 3.33Å; Y620-D623 HydrophobicContact CD2-CB 4.28Å; Y620-F769 HydrophobicContact CD1-CD1 4.09Å; Y620-F769 HydrophobicContact CD1-CE1 4.23Å; Y620-F769 AromaticContact CE1-CD1 3.75Å; Y620-F769 HydrophobicContact CE1-CD1 3.75Å; Y620-F769 AromaticContact CE1-CE1 3.92Å; Y620-F769 HydrophobicContact CE1-CE1 3.92Å; Y620-C770 WeakPolarHBondContact OH-CA 3.25Å; Y620-Y771 HydrophobicContact CD2-CE1 4.07Å; Y620-Y771 HydrophobicContact CE1-CD1 4.22Å; Y620-Y771 HydrophobicContact CE1-CE1 4.41Å; Y620-Y771 AromaticContact CE2-CD1 3.96Å; Y620-Y771 HydrophobicContact CE2-CD1 3.96Å; Y620-Y771 AromaticContact CE2-CE1 3.46Å; Y620-Y771 HydrophobicContact CE2-CE1 3.46Å; Y620-Y771 VanDerWaalsContact CE2-CE1 3.46Å; Y620-Y771 AromaticContact CZ-CD1 3.62Å; Y620-Y771 AromaticContact CZ-CE1 3.64Å; Y620-Y771 WeakPolarHBondContact OH-CD1 3.42Å; Y620-Y771 PolarHBondContact OH-N 2.78Å
621P91.1Very high92.3Very high33 Ų3358.4 Ų58.421%0.21432%0.315CS..THydrogen-bonded Turntrans-64.8-34.2-176.2-21.431.4000115.6D562 L566 Y611D562-P621 WeakPolarHBondContact O-CG 3.37Å; L566-P621 HydrophobicContact CD1-CB 4.37Å; L566-P621 HydrophobicContact CG-CB 4.42Å; L566-P621 HydrophobicContact CG-CG 4.18Å; Y611-P621 PolarHBondContact OH-O 3Å
622A90.6Very high92Very high76 Ų7661.7 Ų61.763%0.62833%0.327SS*.THydrogen-bonded Turntrans-1158.1-172.500000113.7Y620 P624Y620-A622 PolarHBondContact O-N 3.33Å; A622-P624 CarbonylContact C-O 3.52Å; A622-P624 CarbonylContact O-C 3.5Å
623D89.2Confident91.7Very high73 Ų7359 Ų5939%0.3932%0.317SS..BIsolated β-bridgetrans-141.6102-175-173.510.8000111.1Y620 R766Y620-D623 HydrophobicContact CD2-CB 4.28Å; D623-R766 IonicContact OD2-CZ 3.95Å; D623-R766 IonicContact OD2-NH1 3.67Å; D623-R766 PolarHBondContact OD2-NH1 2.93Å; D623-R766 IonicContact OD2-NH2 3.71Å; D623-R766 PolarHBondContact OD2-NH2 2.88Å
624P92.3Very high91.6Very high50 Ų5060.9 Ų60.933%0.32533%0.326SS..SBendcis-66.6160.7-429.9-35.2000112.1Y611 T613 A622Y611-P624 HydrophobicContact CD1-CG 4.5Å; Y611-P624 WeakPolarHBondContact CD1-O 3.24Å; Y611-P624 VanDerWaalsContact CE1-O 3.29Å; Y611-P624 WeakPolarHBondContact CE1-O 3.24Å; T613-P624 HydrophobicContact CG2-CG 3.46Å; T613-P624 VanDerWaalsContact CG2-CG 3.46Å; A622-P624 CarbonylContact C-O 3.52Å; A622-P624 CarbonylContact O-C 3.5Å
625P94.6Very high91.6Very high99 Ų9955.6 Ų55.664%0.64330%0.3SS*.PPolyproline II helixtrans-60.4144.5176.125-34.6000111.5
626P96.1Very high91.9Very high45 Ų4555.2 Ų55.229%0.29230%0.295SS..PPolyproline II helixtrans-64.4139179.826.4-34.1000111.6V609 Y611 D629V609-P626 HydrophobicContact CG1-CB 3.68Å; Y611-P626 HydrophobicContact CD1-CB 4.28Å; Y611-P626 HydrophobicContact CE1-CB 3.81Å; P626-D629 HydrophobicContact CB-CB 4.19Å; P626-D629 HydrophobicContact CG-CB 3.85Å
627Y95.9Very high92.2Very high99 Ų9950.9 Ų50.939%0.38828%0.277SS..SBendtrans-76.5-31.4172.4177.3-117.1000111.7V610 K612 F652V610-Y627 HydrophobicContact CG1-CD1 4.11Å; V610-Y627 WeakPolarHBondContact O-CA 3.34Å; V610-Y627 WeakPolarHBondContact O-CB 3.27Å; V610-Y627 PolarHBondContact O-N 3.29Å; K612-Y627 HydrophobicContact CD-CD2 4.24Å; K612-Y627 HydrophobicContact CD-CG 4.25Å; K612-Y627 HydrophobicContact CG-CD1 4.38Å; K612-Y627 HydrophobicContact CG-CG 4.13Å; Y627-F652 HydrophobicContact CD1-CD1 4.19Å; Y627-F652 AromaticContact CD1-CE1 3.64Å; Y627-F652 HydrophobicContact CD1-CE1 3.64Å; Y627-F652 AromaticContact CE1-CE1 3.63Å; Y627-F652 HydrophobicContact CE1-CE1 3.63Å; Y627-F652 HydrophobicContact CE1-CZ 4.3Å
628I95.8Very high92.3Very high44 Ų4448.9 Ų48.923%0.22627%0.267CS..BIsolated β-bridgetrans-139.5114.7163.6-51.7176.7000106.9V609 V610 T640 I642V609-I628 WeakPolarHBondContact CA-O 3.23Å; V609-I628 WeakPolarHBondContact CG1-O 3.33Å; V610-I628 HydrophobicContact CB-CB 3.98Å; V610-I628 HydrophobicContact CB-CD1 4.44Å; V610-I628 HydrophobicContact CB-CG1 4.23Å; V610-I628 HydrophobicContact CG2-CB 4.13Å; V610-I628 HydrophobicContact CG2-CD1 4.24Å; V610-I628 HydrophobicContact CG2-CG1 4.45Å; V610-I628 PolarHBondContact N-O 3Å; V610-I628 PolarHBondContact O-N 2.86Å; V610-I628 VanDerWaalsContact O-N 3.09Å; I628-T640 HydrophobicContact CD1-CG2 3.84Å; I628-T640 HydrophobicContact CG2-CG2 4.45Å; I628-I642 HydrophobicContact CD1-CG1 4.03Å
629D93.7Very high92.4Very high91 Ų9150 Ų5049%0.48727%0.273SS..PPolyproline II helixtrans-90.1119.8163.7-17224000109P626 R632P626-D629 HydrophobicContact CB-CB 4.19Å; P626-D629 HydrophobicContact CG-CB 3.85Å; D629-R632 IonicContact OD1-CZ 3.35Å; D629-R632 VanDerWaalsContact OD1-CZ 3.32Å; D629-R632 IonicContact OD1-NH1 3.59Å; D629-R632 PolarHBondContact OD1-NH1 2.84Å; D629-R632 IonicContact OD1-NH2 2.9Å; D629-R632 PolarHBondContact OD1-NH2 3.29Å; D629-R632 IonicContact OD2-NH1 2.62Å; D629-R632 PolarHBondContact OD2-NH1 2.82Å
630G90.8Very high92.6Very high1 Ų150 Ų501%0.0127%0.273CS..PPolyproline II helixtrans-79.4138.6-174.300000112.2T607 R632 Y638T607-G630 WeakPolarHBondContact OG1-CA 3.11Å; T607-G630 PolarHBondContact OG1-O 2.95Å; G630-R632 PolarHBondContact O-N 2.84Å; G630-R632 PolarHBondContact O-NH1 2.89Å; G630-Y638 WeakPolarHBondContact CA-OH 3.44Å
631I89.4Confident92.7Very high130 Ų13052.3 Ų52.367%0.66728%0.284SS*.PPolyproline II helixtrans-62.1128.9167.8-57.1178.8000107.6T607 I633 Y638T607-I631 WeakPolarHBondContact CB-O 3.39Å; T607-I631 PolarHBondContact OG1-O 3.37Å; I631-I633 HydrophobicContact CB-CG2 4.48Å; I631-I633 HydrophobicContact CG2-CG2 3.86Å; I631-Y638 VanDerWaalsContact O-CE2 3.31Å; I631-Y638 WeakPolarHBondContact O-CE2 3.39Å
632R90.1Very high92.9Very high74 Ų7450.8 Ų50.828%0.27927%0.274SS..PPolyproline II helixtrans-85.3117-179.3-71.2155.5-176.384.6-4.7108.5F605 I606 T607 D629 G630 S657F605-R632 HydrophobicContact CB-CB 4.48Å; I606-R632 WeakPolarHBondContact O-CA 3.36Å; T607-R632 HydrophobicContact CG2-CG 3.45Å; T607-R632 VanDerWaalsContact CG2-CG 3.45Å; D629-R632 IonicContact OD1-CZ 3.35Å; D629-R632 VanDerWaalsContact OD1-CZ 3.32Å; D629-R632 IonicContact OD1-NH1 3.59Å; D629-R632 PolarHBondContact OD1-NH1 2.84Å; D629-R632 IonicContact OD1-NH2 2.9Å; D629-R632 PolarHBondContact OD1-NH2 3.29Å; D629-R632 IonicContact OD2-NH1 2.62Å; D629-R632 PolarHBondContact OD2-NH1 2.82Å; G630-R632 PolarHBondContact O-N 2.84Å; G630-R632 PolarHBondContact O-NH1 2.89Å; R632-S657 PolarHBondContact NE-OG 3.19Å; R632-S657 PolarHBondContact NH2-OG 3.11Å
633I89.2Confident93.1Very high48 Ų4854.5 Ų54.525%0.24628%0.276CS..BIsolated β-bridgetrans-128.7146.6-171.665.3174.7000111.5F605 I606 I631 S635 Y638F605-I633 CarbonylContact C-O 3.2Å; F605-I633 WeakPolarHBondContact CA-O 3.5Å; I606-I633 PolarHBondContact N-O 2.83Å; I606-I633 PolarHBondContact O-N 2.78Å; I631-I633 HydrophobicContact CB-CG2 4.48Å; I631-I633 HydrophobicContact CG2-CG2 3.86Å; I633-S635 PolarHBondContact O-N 2.93Å; I633-Y638 HydrophobicContact CD1-CD2 3.71Å; I633-Y638 HydrophobicContact CG1-CD2 3.94Å
634N87.3Confident93.3Very high63 Ų6351.3 Ų51.334%0.33726%0.259SS..SBendtrans-90.438.317365.6-17.2000111.3N602 F605N602-N634 VanDerWaalsContact CG-O 3.31Å; N602-N634 PolarHBondContact ND2-ND2 2.89Å; N602-N634 PolarHBondContact ND2-O 2.85Å; N602-N634 PolarHBondContact O-ND2 3.22Å; N602-N634 WeakPolarHBondContact OD1-CB 3.4Å; N602-N634 PolarHBondContact OD1-O 3.19Å; F605-N634 HydrophobicContact CD1-CB 3.81Å; F605-N634 HydrophobicContact CD2-CB 4.17Å; F605-N634 HydrophobicContact CE1-CB 3.68Å; F605-N634 HydrophobicContact CE2-CB 4.04Å; F605-N634 HydrophobicContact CG-CB 4.04Å; F605-N634 HydrophobicContact CZ-CB 3.8Å
635S89.3Confident93.2Very high17 Ų1754 Ų5412%0.11927%0.274CS..SBendtrans-95.9142.2162.1168.20000107.1I606 I633 H637I606-S635 WeakPolarHBondContact CD1-O 3.43Å; I633-S635 PolarHBondContact O-N 2.93Å; S635-H637 WeakPolarHBondContact CB-O 3.42Å; S635-H637 PolarHBondContact O-N 3.42Å; S635-H637 PolarHBondContact OG-N 3.47Å; S635-H637 PolarHBondContact OG-O 2.59Å
636P92.4Very high93.2Very high4 Ų453 Ų533%0.02627%0.266CS..SBendtrans-61.8-21.717028.1-35.6000112.1I395 S590 R591 I593 I606I395-P636 HydrophobicContact CD1-CG 3.75Å; I395-P636 HydrophobicContact CG1-CG 3.8Å; I395-P636 HydrophobicContact CG2-CG 4.36Å; S590-P636 CarbonylContact C-O 3.59Å; S590-P636 VanDerWaalsContact CA-O 3.28Å; S590-P636 WeakPolarHBondContact CA-O 3.29Å; R591-P636 PolarHBondContact N-O 3.24Å; I593-P636 HydrophobicContact CD1-CB 3.67Å; I593-P636 HydrophobicContact CD1-CG 3.81Å; I593-P636 HydrophobicContact CG1-CB 4.15Å; I606-P636 WeakPolarHBondContact CD1-O 3.28Å
637H94.9Very high93.1Very high23 Ų2354.5 Ų54.511%0.10628%0.276CS..EExtended strand (participates in β ladder)trans-113.3123.4-178.6-53.8-54.8000112H398 P405 L588 L589 S590 S635H398-H637 AromaticContact CD2-CE1 3.2Å; H398-H637 PolarHBondContact CD2-CE1 3.24Å; H398-H637 AromaticContact CD2-ND1 3.84Å; H398-H637 AromaticContact CD2-NE2 3.38Å; H398-H637 PolarHBondContact CD2-NE2 3Å; H398-H637 AromaticContact NE2-CE1 3.69Å; P405-H637 HydrophobicContact CB-CB 4.45Å; P405-H637 HydrophobicContact CG-CB 3.56Å; L588-H637 HydrophobicContact CD1-CB 4.22Å; L589-H637 WeakPolarHBondContact O-CA 3.47Å; S590-H637 PolarHBondContact OG-ND1 2.8Å; S635-H637 WeakPolarHBondContact CB-O 3.42Å; S635-H637 PolarHBondContact O-N 3.42Å; S635-H637 PolarHBondContact OG-N 3.47Å; S635-H637 PolarHBondContact OG-O 2.59Å
638Y95.6Very high93Very high31 Ų3151.5 Ų51.512%0.12228%0.275CS..EExtended strand (participates in β ladder)trans-122.6123.4170.8-178.6-104.8000110.6L589 T607 M608 G630 I631 I633 T640L589-Y638 PolarHBondContact N-O 2.76Å; L589-Y638 PolarHBondContact O-N 2.88Å; T607-Y638 WeakPolarHBondContact OG1-CE1 3.41Å; M608-Y638 HydrophobicContact CB-CD1 3.92Å; M608-Y638 HydrophobicContact CB-CE1 3.99Å; G630-Y638 WeakPolarHBondContact CA-OH 3.44Å; I631-Y638 VanDerWaalsContact O-CE2 3.31Å; I631-Y638 WeakPolarHBondContact O-CE2 3.39Å; I633-Y638 HydrophobicContact CD1-CD2 3.71Å; I633-Y638 HydrophobicContact CG1-CD2 3.94Å; Y638-T640 VanDerWaalsContact CE1-OG1 3.29Å; Y638-T640 WeakPolarHBondContact CE1-OG1 3.22Å
639L96.9Very high93Very high26 Ų2653.1 Ų53.114%0.13629%0.288CS..EExtended strand (participates in β ladder)trans-107.4119.9-178.8-175.167.8000111.3I404 P405 E406 W586 L588 K641I404-L639 HydrophobicContact CG2-CD1 3.62Å; I404-L639 HydrophobicContact CG2-CD2 4.11Å; I404-L639 HydrophobicContact CG2-CG 4.49Å; P405-L639 WeakPolarHBondContact O-CB 3.32Å; P405-L639 WeakPolarHBondContact O-CD2 3.29Å; E406-L639 HydrophobicContact CB-CD2 3.98Å; W586-L639 HydrophobicContact CB-CD1 4.14Å; W586-L639 HydrophobicContact CE3-CD1 4.43Å; W586-L639 HydrophobicContact CE3-CD2 3.94Å; W586-L639 HydrophobicContact CZ3-CD2 4.29Å; L588-L639 HydrophobicContact CB-CD1 4.11Å; L588-L639 HydrophobicContact CD1-CB 4.45Å; L588-L639 HydrophobicContact CD1-CD1 4.31Å; L639-K641 VanDerWaalsContact CD2-CE 3.49Å; L639-K641 HydrophobicContact CD2-CG 4.37Å; L639-K641 HydrophobicContact CG-CG 4.37Å
640T96.6Very high93.1Very high3 Ų350.2 Ų50.22%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-98.1137.5169.8-520000109.9W586 V587 V610 I628 Y638 I642W586-T640 CarbonylContact C-O 3.48Å; W586-T640 WeakPolarHBondContact CA-O 3.38Å; V587-T640 PolarHBondContact N-O 3.04Å; V587-T640 PolarHBondContact O-N 3.44Å; V610-T640 HydrophobicContact CG2-CG2 3.84Å; I628-T640 HydrophobicContact CD1-CG2 3.84Å; I628-T640 HydrophobicContact CG2-CG2 4.45Å; Y638-T640 VanDerWaalsContact CE1-OG1 3.29Å; Y638-T640 WeakPolarHBondContact CE1-OG1 3.22Å; T640-I642 HydrophobicContact CG2-CG1 4.42Å
641K95.6Very high93.4Very high68 Ų6851.2 Ų51.230%0.29628%0.277SS..EExtended strand (participates in β ladder)trans-120.5108.8176.6-63.7-172.8174.8178.60110.8E406 W586 L639E406-K641 VanDerWaalsContact OE1-CE 3.24Å; E406-K641 WeakPolarHBondContact OE1-CE 3.47Å; E406-K641 IonicContact OE1-NZ 3.89Å; E406-K641 PolarHBondContact OE1-NZ 2.62Å; E406-K641 IonicContact OE2-NZ 3.64Å; E406-K641 PolarHBondContact OE2-NZ 2.86Å; W586-K641 HydrophobicContact CD2-CD 4.14Å; W586-K641 HydrophobicContact CD2-CG 4.03Å; W586-K641 VanDerWaalsContact CE2-CE 3.45Å; W586-K641 HydrophobicContact CG-CG 3.93Å; W586-K641 HydrophobicContact CZ2-CD 3.94Å; W586-K641 VanDerWaalsContact CZ2-CE 3.43Å; L639-K641 VanDerWaalsContact CD2-CE 3.49Å; L639-K641 HydrophobicContact CD2-CG 4.37Å; L639-K641 HydrophobicContact CG-CG 4.37Å
642I95.6Very high93.7Very high2 Ų245 Ų451%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-92.4124.2175.9-58.1173.2000108.2L574 A584 V585 V587 V610 I628 T640 L644 F652 L654L574-I642 HydrophobicContact CD2-CD1 4.11Å; A584-I642 WeakPolarHBondContact CA-O 3.35Å; V585-I642 PolarHBondContact N-O 2.92Å; V585-I642 PolarHBondContact O-N 3.02Å; V587-I642 HydrophobicContact CG2-CD1 4.48Å; V610-I642 HydrophobicContact CG1-CD1 4.16Å; V610-I642 HydrophobicContact CG2-CD1 4.43Å; I628-I642 HydrophobicContact CD1-CG1 4.03Å; T640-I642 HydrophobicContact CG2-CG1 4.42Å; I642-L644 HydrophobicContact CG2-CD2 3.72Å; I642-L644 HydrophobicContact CG2-CG 4.37Å; I642-F652 HydrophobicContact CD1-CG 4.47Å; I642-F652 HydrophobicContact CG2-CE1 4.29Å; I642-F652 HydrophobicContact CG2-CE2 4.1Å; I642-F652 HydrophobicContact CG2-CZ 3.81Å; I642-L654 HydrophobicContact CD1-CD2 4.28Å
643K93.8Very high94.1Very high154 Ų15441.5 Ų41.567%0.6723%0.232SC*.EExtended strand (participates in β ladder)trans-111.4120.2176-175.5-178.2178.7-176.60109.8
644L92.8Very high94.5Very high5 Ų539.2 Ų39.23%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-104.3128.5178-51.1-176.7000109.4V576 C578 G582 A583 I642 H650 F652V576-L644 HydrophobicContact CB-CD1 3.94Å; V576-L644 HydrophobicContact CG1-CD1 3.64Å; C578-L644 HydrophobicContact CB-CB 4.33Å; C578-L644 HydrophobicContact CB-CD1 3.94Å; C578-L644 VanDerWaalsContact SG-CB 3.51Å; G582-L644 CarbonylContact C-O 3.38Å; G582-L644 WeakPolarHBondContact CA-O 3.22Å; A583-L644 HydrophobicContact CB-CB 4.24Å; A583-L644 HydrophobicContact CB-CD1 4.3Å; A583-L644 PolarHBondContact N-O 2.64Å; A583-L644 PolarHBondContact O-N 2.8Å; I642-L644 HydrophobicContact CG2-CD2 3.72Å; I642-L644 HydrophobicContact CG2-CG 4.37Å; L644-H650 HydrophobicContact CD1-CB 4.01Å; L644-H650 HydrophobicContact CD2-CB 4.26Å; L644-F652 HydrophobicContact CD2-CE2 3.92Å; L644-F652 HydrophobicContact CD2-CZ 3.62Å
645T91.9Very high94.9Very high107 Ų10736.2 Ų36.266%0.65620%0.204SC*.  trans-112.3-14.7-178.148.60000113.8
646T93.4Very high95.2Very high78 Ų7835.4 Ų35.448%0.47920%0.198SC..SBendtrans-111.7140.3176.953.50000110.7C578 H650C578-T646 PolarHBondContact SG-O 3.15Å; T646-H650 PolarHBondContact O-NE2 3.43Å; T646-H650 PolarHBondContact OG1-CE1 2.84Å; T646-H650 VanDerWaalsContact OG1-CE1 3.24Å; T646-H650 PolarHBondContact OG1-NE2 3.09Å
647P94.3Very high95.2Very high76 Ų7635.2 Ų35.249%0.49420%0.197SC..  trans-68.1164.7176.227.2-33.8000112.9C578 Q580C578-P647 CarbonylContact O-C 3.51Å; C578-P647 VanDerWaalsContact O-CA 3.31Å; C578-P647 WeakPolarHBondContact O-CA 3.33Å; Q580-P647 HydrophobicContact CG-CB 4.33Å
648G94.3Very high94.8Very high36 Ų3634.2 Ų34.237%0.37119%0.193SC..EExtended strand (participates in β ladder)trans109.2-175.6177.500000113.4C578 H650C578-G648 VanDerWaalsContact CB-O 3.25Å; C578-G648 WeakPolarHBondContact CB-O 3.29Å; C578-G648 PolarHBondContact N-O 2.87Å; C578-G648 PolarHBondContact O-N 2.95Å; G648-H650 PolarHBondContact O-CD2 2.76Å
649T95.9Very high94.3Very high79 Ų7938.8 Ų38.849%0.48521%0.211SC..EExtended strand (participates in β ladder)trans-74.1127.6175.6-480000110.5E575 V576 Q577E575-T649 HydrophobicContact CG-CG2 3.45Å; E575-T649 VanDerWaalsContact CG-CG2 3.45Å; V576-T649 WeakPolarHBondContact O-CA 3.21Å; Q577-T649 PolarHBondContact NE2-OG1 3.09Å; Q577-T649 PolarHBondContact OE1-OG1 2.86Å; Q577-T649 VanDerWaalsContact OE1-OG1 3.09Å
650H95.2Very high93.7Very high29 Ų2940.3 Ų40.313%0.13422%0.217CC..EExtended strand (participates in β ladder)trans-118.8124.4170.4-68.8-108.9000110E575 V576 L644 T646 G648 F652E575-H650 WeakPolarHBondContact CA-O 3.19Å; V576-H650 PolarHBondContact N-O 2.9Å; V576-H650 PolarHBondContact O-N 2.96Å; L644-H650 HydrophobicContact CD1-CB 4.01Å; L644-H650 HydrophobicContact CD2-CB 4.26Å; T646-H650 PolarHBondContact O-NE2 3.43Å; T646-H650 PolarHBondContact OG1-CE1 2.84Å; T646-H650 VanDerWaalsContact OG1-CE1 3.24Å; T646-H650 PolarHBondContact OG1-NE2 3.09Å; G648-H650 PolarHBondContact O-CD2 2.76Å; H650-F652 HydrophobicContact CB-CE2 3.64Å; H650-F652 HydrophobicContact CB-CZ 4.08Å
651T96.6Very high93Very high22 Ų2240.4 Ų40.414%0.13522%0.217CC..EExtended strand (participates in β ladder)trans-115.2129.7-176.7-50.80000111.5K573 L574 E575 D614K573-T651 HydrophobicContact CD-CG2 4.33Å; K573-T651 HydrophobicContact CG-CG2 4.04Å; L574-T651 WeakPolarHBondContact O-CA 3.5Å; E575-T651 HydrophobicContact CB-CG2 4.34Å; D614-T651 WeakPolarHBondContact O-CG2 3.12Å
652F96.8Very high92.3Very high1 Ų141.6 Ų41.60%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-123.8147.3-175.9-61.2-83.3000111L574 V610 Y611 K612 Y627 I642 L644 H650 L654L574-F652 HydrophobicContact CB-CB 4.41Å; L574-F652 PolarHBondContact N-O 2.76Å; L574-F652 PolarHBondContact O-N 2.91Å; V610-F652 HydrophobicContact CG1-CB 4.18Å; V610-F652 HydrophobicContact CG1-CD1 3.6Å; V610-F652 HydrophobicContact CG1-CE1 4.38Å; V610-F652 HydrophobicContact CG1-CG 4.19Å; Y611-F652 WeakPolarHBondContact O-CA 3.31Å; K612-F652 HydrophobicContact CD-CE1 4.3Å; K612-F652 VanDerWaalsContact CE-CE1 3.48Å; K612-F652 HydrophobicContact CG-CD1 3.99Å; K612-F652 HydrophobicContact CG-CE1 3.85Å; Y627-F652 HydrophobicContact CD1-CD1 4.19Å; Y627-F652 AromaticContact CD1-CE1 3.64Å; Y627-F652 HydrophobicContact CD1-CE1 3.64Å; Y627-F652 AromaticContact CE1-CE1 3.63Å; Y627-F652 HydrophobicContact CE1-CE1 3.63Å; Y627-F652 HydrophobicContact CE1-CZ 4.3Å; I642-F652 HydrophobicContact CD1-CG 4.47Å; I642-F652 HydrophobicContact CG2-CE1 4.29Å; I642-F652 HydrophobicContact CG2-CE2 4.1Å; I642-F652 HydrophobicContact CG2-CZ 3.81Å; L644-F652 HydrophobicContact CD2-CE2 3.92Å; L644-F652 HydrophobicContact CD2-CZ 3.62Å; H650-F652 HydrophobicContact CB-CE2 3.64Å; H650-F652 HydrophobicContact CB-CZ 4.08Å; F652-L654 HydrophobicContact CB-CD2 4.3Å
653T97.6Very high91.8Very high0 Ų045.7 Ų45.70%025%0.246CC..EExtended strand (participates in β ladder)trans-104.3120.3162.3-68.80000108.3Q571 Y572 Y611 T613 G615 K616 V618 V655 I682Q571-T653 HydrophobicContact CB-CG2 4.33Å; Y572-T653 WeakPolarHBondContact O-CA 3.24Å; Y611-T653 PolarHBondContact N-O 3.01Å; Y611-T653 PolarHBondContact O-N 3.34Å; T613-T653 WeakPolarHBondContact OG1-CB 3.48Å; T613-T653 PolarHBondContact OG1-OG1 3.48Å; G615-T653 VanDerWaalsContact CA-OG1 3.31Å; G615-T653 WeakPolarHBondContact CA-OG1 3.38Å; K616-T653 PolarHBondContact O-OG1 3.39Å; V618-T653 HydrophobicContact CG2-CG2 3.84Å; T653-V655 HydrophobicContact CG2-CG2 4.05Å; T653-I682 HydrophobicContact CG2-CD1 3.58Å
654L97.9Very high91.6Very high0 Ų041.3 Ų41.30%023%0.232CC..EExtended strand (participates in β ladder)trans-100.7125.7178.4-50.6176.5000108.4Q571 Y572 L574 V587 M608 V610 I642 F652 F679Q571-L654 CarbonylContact C-O 3.53Å; Q571-L654 VanDerWaalsContact CA-O 3.27Å; Q571-L654 WeakPolarHBondContact CA-O 3.46Å; Y572-L654 PolarHBondContact N-O 3.43Å; Y572-L654 PolarHBondContact O-N 2.85Å; L574-L654 HydrophobicContact CB-CD1 3.75Å; L574-L654 HydrophobicContact CB-CG 4.08Å; L574-L654 HydrophobicContact CD2-CD1 3.92Å; L574-L654 HydrophobicContact CD2-CD2 4.39Å; L574-L654 HydrophobicContact CG-CD1 4.47Å; V587-L654 HydrophobicContact CG1-CD1 4.17Å; V587-L654 HydrophobicContact CG2-CD1 4.12Å; M608-L654 HydrophobicContact SD-CB 3.74Å; V610-L654 HydrophobicContact CB-CD2 4.35Å; V610-L654 HydrophobicContact CG1-CD2 3.98Å; V610-L654 HydrophobicContact CG2-CD2 3.77Å; I642-L654 HydrophobicContact CD1-CD2 4.28Å; F652-L654 HydrophobicContact CB-CD2 4.3Å; L654-F679 HydrophobicContact CD1-CD2 4.46Å; L654-F679 HydrophobicContact CD1-CE2 4.03Å
655V96.6Very high91.5Very high0 Ų041.5 Ų41.50%023%0.233CC..EExtended strand (participates in β ladder)trans-119.1122.3-177.2-175.80000110.1L566 N569 Q571 V609 Y611 V618 T653L566-V655 HydrophobicContact CD1-CG1 4.29Å; L566-V655 HydrophobicContact CD2-CG1 4.3Å; N569-V655 HydrophobicContact CB-CG1 3.77Å; Q571-V655 HydrophobicContact CB-CG2 4.45Å; Q571-V655 HydrophobicContact CG-CG1 4.24Å; Q571-V655 HydrophobicContact CG-CG2 3.98Å; V609-V655 HydrophobicContact CB-CB 4.48Å; V609-V655 PolarHBondContact N-O 3.01Å; V609-V655 PolarHBondContact O-N 3.41Å; Y611-V655 HydrophobicContact CD2-CG2 3.9Å; Y611-V655 HydrophobicContact CE2-CB 4.35Å; Y611-V655 HydrophobicContact CE2-CG2 3.86Å; V618-V655 HydrophobicContact CB-CG2 4.41Å; T653-V655 HydrophobicContact CG2-CG2 4.05Å
656V95.4Very high91.7Very high0 Ų038.4 Ų38.40%021%0.211CC..EExtended strand (participates in β ladder)trans-75.2129.6171.3179.20000108.7W553 N569 P570 Y572 L589 M608 Y667 V669W553-V656 HydrophobicContact CE3-CG1 4.38Å; N569-V656 PolarHBondContact ND2-O 3.03Å; P570-V656 HydrophobicContact CB-CB 4.23Å; P570-V656 HydrophobicContact CB-CG2 4.36Å; P570-V656 HydrophobicContact CG-CB 4.23Å; P570-V656 PolarHBondContact O-N 2.99Å; Y572-V656 HydrophobicContact CE2-CG2 4.01Å; L589-V656 HydrophobicContact CD1-CG1 4.32Å; L589-V656 HydrophobicContact CD1-CG2 4.22Å; L589-V656 HydrophobicContact CD2-CG1 4.24Å; M608-V656 HydrophobicContact CE-CG2 3.77Å; M608-V656 HydrophobicContact SD-CG2 4.35Å; V656-Y667 HydrophobicContact CG2-CE2 3.89Å; V656-V669 HydrophobicContact CG2-CG2 4.16Å
657S92.5Very high91.8Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-133.8149.4-173171.90000110.9D562 I606 T607 R632D562-S657 WeakPolarHBondContact OD2-CA 3.01Å; D562-S657 VanDerWaalsContact OD2-CB 3.22Å; D562-S657 WeakPolarHBondContact OD2-CB 3.32Å; D562-S657 PolarHBondContact OD2-OG 3.04Å; I606-S657 CarbonylContact C-O 3.51Å; T607-S657 PolarHBondContact N-O 3.14Å; T607-S657 PolarHBondContact O-N 3.32Å; R632-S657 PolarHBondContact NE-OG 3.19Å; R632-S657 PolarHBondContact NH2-OG 3.11Å
658Q86.6Confident92Very high2 Ų231.2 Ų31.21%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-122.1151.3172.7-89164.4-64.400109.1W553 D562 E604 F605 I606 K661 I665W553-Q658 HydrophobicContact CE3-CG 4.42Å; W553-Q658 HydrophobicContact CH2-CB 4.35Å; W553-Q658 HydrophobicContact CZ3-CB 3.9Å; W553-Q658 HydrophobicContact CZ3-CG 3.87Å; D562-Q658 PolarHBondContact OD2-N 3.4Å; E604-Q658 PolarHBondContact OE2-NE2 2.96Å; F605-Q658 VanDerWaalsContact O-CA 3.29Å; F605-Q658 WeakPolarHBondContact O-CA 3.48Å; I606-Q658 HydrophobicContact CG2-CG 4.42Å; Q658-K661 HydrophobicContact CB-CB 4.4Å; Q658-K661 VanDerWaalsContact OE1-CG 3.32Å; Q658-I665 HydrophobicContact CG-CD1 4.27Å
659Y84.4Confident92.2Very high127 Ų12729.5 Ų29.550%0.49815%0.147SC..SBendtrans-67-47.6170178.5-96.5000111.4K561 F605K561-Y659 PolarHBondContact NZ-OH 3.21Å; F605-Y659 PolarHBondContact O-N 2.59Å
660E84.5Confident92.3Very high57 Ų5726.9 Ų26.927%0.26613%0.129SC..SBendtrans-138.8117.7169.5-81.5-179.3-161.300108.1V560 K561 Q662V560-E660 CarbonylContact O-C 3.56Å; V560-E660 WeakPolarHBondContact O-CA 3.49Å; K561-E660 HydrophobicContact CD-CG 4.19Å; K561-E660 WeakPolarHBondContact CE-OE1 2.99Å; K561-E660 HydrophobicContact CG-CG 3.95Å; K561-E660 IonicContact NZ-OE1 3.87Å; K561-E660 PolarHBondContact NZ-OE1 3.39Å; E660-Q662 HydrophobicContact CB-CG 4.19Å; E660-Q662 PolarHBondContact O-N 2.57Å; E660-Q662 VanDerWaalsContact O-N 3.15Å; E660-Q662 PolarHBondContact OE2-NE2 3.14Å
661K81.9Confident92.4Very high6 Ų625.5 Ų25.53%0.02612%0.122CC..  trans-78.197.5170.9-177.4169.570.4-94.40109W553 D554 A555 Q557 P559 V560 Q658W553-K661 HydrophobicContact CD2-CD 3.91Å; W553-K661 HydrophobicContact CE3-CD 4.34Å; W553-K661 HydrophobicContact CG-CD 4.35Å; W553-K661 HydrophobicContact CH2-CD 4.36Å; W553-K661 HydrophobicContact CZ2-CD 3.96Å; D554-K661 WeakPolarHBondContact O-CE 3.45Å; A555-K661 VanDerWaalsContact O-CE 3.23Å; A555-K661 WeakPolarHBondContact O-CE 3.49Å; Q557-K661 WeakPolarHBondContact O-CE 3.43Å; Q557-K661 PolarHBondContact O-NZ 3.25Å; P559-K661 PolarHBondContact O-NZ 3.16Å; V560-K661 PolarHBondContact O-N 2.76Å; Q658-K661 HydrophobicContact CB-CB 4.4Å; Q658-K661 VanDerWaalsContact OE1-CG 3.32Å
662Q80.3Confident92.5Very high92 Ų9224.9 Ų24.943%0.4312%0.118SC..  trans-97.8-44175.1-59.7-1724.100111E660E660-Q662 HydrophobicContact CB-CG 4.19Å; E660-Q662 PolarHBondContact O-N 2.57Å; E660-Q662 VanDerWaalsContact O-N 3.15Å; E660-Q662 PolarHBondContact OE2-NE2 3.14Å
663N84.8Confident92.4Very high89 Ų8924.8 Ų24.848%0.47612%0.117SC..SBendtrans-117.2161.7-178.8-57.6-80.7000113.1E604 I665E604-N663 WeakPolarHBondContact OE1-CB 3.48Å; E604-N663 PolarHBondContact OE1-N 3.17Å; E604-N663 VanDerWaalsContact OE1-N 3.11Å; E604-N663 PolarHBondContact OE1-ND2 2.73Å; N663-I665 PolarHBondContact O-N 3.29Å
664T89.7Confident92Very high62 Ų6227 Ų2738%0.3814%0.136SC..  trans-72122.5170.6-69.20000108.6T552 W553 A555T552-T664 HydrophobicContact CG2-CG2 3.57Å; W553-T664 CarbonylContact O-C 3.56Å; W553-T664 VanDerWaalsContact O-CA 3.29Å; W553-T664 WeakPolarHBondContact O-CA 3.28Å; W553-T664 WeakPolarHBondContact O-CG2 3.39Å; A555-T664 PolarHBondContact N-OG1 3.28Å
665I91.3Very high91.7Very high8 Ų828 Ų284%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-107.1136.6179.862.4166.3000111.6T552 W553 R591 I606 Q658 N663 Y667T552-I665 CarbonylContact C-O 3.54Å; T552-I665 WeakPolarHBondContact CA-O 3.43Å; W553-I665 HydrophobicContact CB-CG1 4.09Å; W553-I665 HydrophobicContact CE3-CD1 4.29Å; W553-I665 PolarHBondContact N-O 2.9Å; W553-I665 PolarHBondContact O-N 3.24Å; R591-I665 HydrophobicContact CG-CB 4.48Å; I606-I665 HydrophobicContact CG2-CD1 4.14Å; Q658-I665 HydrophobicContact CG-CD1 4.27Å; N663-I665 PolarHBondContact O-N 3.29Å; I665-Y667 HydrophobicContact CD1-CD1 4.36Å; I665-Y667 HydrophobicContact CG1-CD1 4.28Å
666H95.3Very high91.5Very high43 Ų4330.9 Ų30.920%0.19916%0.162CC..EExtended strand (participates in β ladder)trans-98143.2165-59.7-71.5000108.7V211 T215 S551 T552 H592V211-H666 HydrophobicContact CG1-CB 4.17Å; T215-H666 HydrophobicContact CG2-CB 3.45Å; T215-H666 VanDerWaalsContact CG2-CB 3.45Å; S551-H666 WeakPolarHBondContact O-CA 3.35Å; T552-H666 PolarHBondContact OG1-CE1 2.87Å; T552-H666 PolarHBondContact OG1-ND1 3.03Å; H592-H666 HydrophobicContact CB-CB 4.04Å; H592-H666 PolarHBondContact N-O 3.22Å
667Y96.6Very high91.5Very high0 Ų031.6 Ų31.60%017%0.166CC..EExtended strand (participates in β ladder)trans-158.2163.7-17663.2-85.7000112.8S551 W553 P570 Y572 L589 S590 H592 V656 I665 V669S551-Y667 VanDerWaalsContact CB-CZ 3.49Å; S551-Y667 VanDerWaalsContact CB-OH 3.26Å; S551-Y667 WeakPolarHBondContact CB-OH 3Å; S551-Y667 PolarHBondContact N-O 2.81Å; S551-Y667 PolarHBondContact O-N 3.46Å; S551-Y667 PolarHBondContact OG-OH 2.85Å; W553-Y667 HydrophobicContact CB-CE1 4.13Å; P570-Y667 WeakPolarHBondContact CB-OH 3.36Å; P570-Y667 HydrophobicContact CG-CE1 4.27Å; P570-Y667 VanDerWaalsContact CG-OH 3.22Å; P570-Y667 WeakPolarHBondContact CG-OH 3.28Å; Y572-Y667 HydrophobicContact CE2-CE2 4.4Å; Y572-Y667 VanDerWaalsContact OH-CE2 3.3Å; Y572-Y667 WeakPolarHBondContact OH-CE2 3.22Å; Y572-Y667 PolarHBondContact OH-OH 2.79Å; L589-Y667 HydrophobicContact CD1-CD2 3.61Å; L589-Y667 HydrophobicContact CD1-CE2 4.4Å; L589-Y667 HydrophobicContact CD1-CG 4.06Å; S590-Y667 CarbonylContact O-C 3.54Å; S590-Y667 VanDerWaalsContact O-CA 3.25Å; S590-Y667 WeakPolarHBondContact O-CA 3.43Å; S590-Y667 WeakPolarHBondContact O-CB 3.43Å; H592-Y667 VanDerWaalsContact NE2-C 3.3Å; V656-Y667 HydrophobicContact CG2-CE2 3.89Å; I665-Y667 HydrophobicContact CD1-CD1 4.36Å; I665-Y667 HydrophobicContact CG1-CD1 4.28Å; Y667-V669 HydrophobicContact CD2-CG2 3.9Å; Y667-V669 HydrophobicContact CE2-CG2 3.81Å
668T97.9Very high91.7Very high2 Ų235.3 Ų35.31%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-113.3135.7168.3-57.80000109G340 C548 I549 H550 S590 H592 R670G340-T668 WeakPolarHBondContact CA-OG1 3.21Å; C548-T668 HydrophobicContact CB-CG2 3.8Å; I549-T668 WeakPolarHBondContact O-CA 3.22Å; H550-T668 PolarHBondContact CE1-OG1 3.47Å; H550-T668 PolarHBondContact ND1-OG1 2.92Å; S590-T668 PolarHBondContact N-O 3.41Å; S590-T668 PolarHBondContact O-N 2.84Å; H592-T668 PolarHBondContact NE2-N 3.05Å; H592-T668 PolarHBondContact NE2-OG1 3.11Å; T668-R670 HydrophobicContact CG2-CB 4.39Å
669V98.3Very high92.1Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-108.3118.2160.7-179.50000107.3C548 I549 Y572 V587 L588 L589 M608 V656 Y667 F679C548-V669 CarbonylContact C-O 3.58Å; C548-V669 WeakPolarHBondContact CA-O 3.49Å; I549-V669 PolarHBondContact N-O 2.66Å; I549-V669 PolarHBondContact O-N 2.74Å; Y572-V669 HydrophobicContact CE2-CG2 4.19Å; V587-V669 HydrophobicContact CG1-CG1 3.6Å; L588-V669 WeakPolarHBondContact O-CA 3.41Å; L589-V669 HydrophobicContact CD1-CG2 3.86Å; M608-V669 HydrophobicContact CE-CG1 3.91Å; M608-V669 HydrophobicContact CE-CG2 3.74Å; V656-V669 HydrophobicContact CG2-CG2 4.16Å; Y667-V669 HydrophobicContact CD2-CG2 3.9Å; Y667-V669 HydrophobicContact CE2-CG2 3.81Å; V669-F679 HydrophobicContact CB-CZ 3.95Å; V669-F679 HydrophobicContact CG1-CE1 4.38Å; V669-F679 HydrophobicContact CG1-CE2 4.22Å; V669-F679 HydrophobicContact CG1-CZ 3.56Å
670R98.1Very high92.7Very high24 Ų2432.7 Ų32.79%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-118121.6178-169.2174.3-68.3-88.27.3110D198 G340 T547 C548 L588 T668 Y672D198-R670 IonicContact OD1-CZ 2.67Å; D198-R670 IonicContact OD1-NH1 3.05Å; D198-R670 PolarHBondContact OD1-NH1 2.81Å; D198-R670 IonicContact OD1-NH2 3.83Å; G340-R670 PolarHBondContact O-NH2 3.44Å; T547-R670 WeakPolarHBondContact O-CA 3.45Å; C548-R670 HydrophobicContact CB-CB 3.87Å; C548-R670 HydrophobicContact CB-CG 3.87Å; C548-R670 PolarHBondContact SG-NH1 3.05Å; C548-R670 PolarHBondContact SG-NH2 3Å; L588-R670 PolarHBondContact N-O 2.67Å; L588-R670 PolarHBondContact O-N 3.11Å; T668-R670 HydrophobicContact CG2-CB 4.39Å; R670-Y672 HydrophobicContact CB-CE2 4.18Å; R670-Y672 WeakPolarHBondContact CD-OH 3.46Å; R670-Y672 HydrophobicContact CG-CD2 4.48Å; R670-Y672 HydrophobicContact CG-CE2 3.86Å
671V98.3Very high93.1Very high0 Ų033.1 Ų33.10%019%0.187CC..EExtended strand (participates in β ladder)trans-91.5146.6175.9-176.30000108.8S546 T547 L574 V585 W586 V587 F677 F679S546-V671 CarbonylContact C-O 3.54Å; S546-V671 WeakPolarHBondContact CA-O 3.39Å; S546-V671 VanDerWaalsContact CB-O 3.27Å; S546-V671 WeakPolarHBondContact CB-O 3.46Å; S546-V671 PolarHBondContact OG-O 2.85Å; T547-V671 PolarHBondContact N-O 2.76Å; T547-V671 PolarHBondContact O-N 2.68Å; L574-V671 HydrophobicContact CD1-CG1 4.03Å; L574-V671 HydrophobicContact CD1-CG2 4.5Å; L574-V671 HydrophobicContact CD2-CG1 4.44Å; V585-V671 HydrophobicContact CG1-CG1 3.59Å; W586-V671 CarbonylContact O-C 3.6Å; W586-V671 WeakPolarHBondContact O-CA 3.36Å; V587-V671 HydrophobicContact CG2-CG2 4.35Å; V671-F677 HydrophobicContact CB-CD2 4.5Å; V671-F677 HydrophobicContact CB-CE2 3.68Å; V671-F677 HydrophobicContact CB-CZ 3.84Å; V671-F677 HydrophobicContact CG1-CD2 3.96Å; V671-F677 HydrophobicContact CG1-CE1 4.2Å; V671-F677 HydrophobicContact CG1-CE2 3.54Å; V671-F677 HydrophobicContact CG1-CG 4.47Å; V671-F677 HydrophobicContact CG1-CZ 3.68Å; V671-F677 HydrophobicContact CG2-CE2 4.35Å; V671-F679 HydrophobicContact CG2-CB 4.31Å; V671-F679 HydrophobicContact CG2-CD1 3.82Å; V671-F679 HydrophobicContact CG2-CD2 3.74Å; V671-F679 HydrophobicContact CG2-CE1 4.01Å; V671-F679 HydrophobicContact CG2-CE2 3.94Å; V671-F679 HydrophobicContact CG2-CG 3.69Å; V671-F679 HydrophobicContact CG2-CZ 4.09Å
672Y97.4Very high93.6Very high9 Ų934.4 Ų34.44%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-134.4131174.3-61.7-98.1000109.3I404 P540 F543 S546 V585 W586 L588 R670I404-Y672 HydrophobicContact CD1-CD1 3.57Å; I404-Y672 HydrophobicContact CD1-CD2 3.86Å; I404-Y672 HydrophobicContact CD1-CE1 3.59Å; I404-Y672 HydrophobicContact CD1-CE2 3.87Å; I404-Y672 HydrophobicContact CD1-CG 3.7Å; I404-Y672 HydrophobicContact CG1-CD1 4.35Å; I404-Y672 HydrophobicContact CG1-CD2 4.5Å; I404-Y672 HydrophobicContact CG1-CE1 3.84Å; I404-Y672 HydrophobicContact CG1-CE2 4.01Å; I404-Y672 HydrophobicContact CG2-CE2 4.28Å; P540-Y672 HydrophobicContact CB-CD1 4.47Å; P540-Y672 HydrophobicContact CB-CE1 3.9Å; F543-Y672 HydrophobicContact CD2-CD1 4.18Å; F543-Y672 HydrophobicContact CD2-CG 4.34Å; S546-Y672 WeakPolarHBondContact OG-CD1 3.39Å; S546-Y672 WeakPolarHBondContact OG-CE1 3.37Å; V585-Y672 WeakPolarHBondContact CA-O 3.25Å; W586-Y672 PolarHBondContact N-O 3.49Å; W586-Y672 PolarHBondContact O-N 3.32Å; L588-Y672 HydrophobicContact CB-CE2 4.04Å; L588-Y672 HydrophobicContact CD2-CE2 4.41Å; R670-Y672 HydrophobicContact CB-CE2 4.18Å; R670-Y672 WeakPolarHBondContact CD-OH 3.46Å; R670-Y672 HydrophobicContact CG-CD2 4.48Å; R670-Y672 HydrophobicContact CG-CE2 3.86Å
673S94.6Very high93.7Very high0 Ų035 Ų350%021%0.205CC..EExtended strand (participates in β ladder)trans-145.3148.9-177.1-170.80000113.9F543 K544 E545 C675 F677F543-S673 WeakPolarHBondContact CB-O 3.45Å; K544-S673 PolarHBondContact N-O 3.47Å; E545-S673 PolarHBondContact N-O 2.73Å; E545-S673 VanDerWaalsContact N-O 3.14Å; E545-S673 PolarHBondContact O-N 2.71Å; S673-C675 VanDerWaalsContact CB-O 3.22Å; S673-C675 WeakPolarHBondContact CB-O 3.49Å; S673-C675 PolarHBondContact OG-N 2.93Å; S673-C675 VanDerWaalsContact OG-N 3.16Å; S673-C675 PolarHBondContact OG-O 3.39Å; S673-F677 VanDerWaalsContact CB-CD1 3.43Å
674A88.8Confident93.5Very high47 Ų4734.6 Ų34.639%0.38821%0.21SC..SBendtrans-90.9-5.6171.400000113.4
675C91.5Very high93.2Very high19 Ų1935 Ų3513%0.12821%0.213CC..SBendtrans-138.1163.5177.765.80000110.8Q577 A583 S673Q577-C675 WeakPolarHBondContact O-CB 3.38Å; Q577-C675 PolarHBondContact O-SG 2.91Å; A583-C675 VanDerWaalsContact CB-SG 3.54Å; S673-C675 VanDerWaalsContact CB-O 3.22Å; S673-C675 WeakPolarHBondContact CB-O 3.49Å; S673-C675 PolarHBondContact OG-N 2.93Å; S673-C675 VanDerWaalsContact OG-N 3.16Å; S673-C675 PolarHBondContact OG-O 3.39Å
676S93.3Very high93.1Very high61 Ų6136 Ų3643%0.42722%0.217SC..  trans-71.2145.4-169.2-161.90000114.1E545 Q577E545-S676 VanDerWaalsContact OE1-CA 3.24Å; E545-S676 WeakPolarHBondContact OE1-CA 3.3Å; E545-S676 WeakPolarHBondContact OE1-CB 3.33Å; E545-S676 VanDerWaalsContact OE2-CA 3.26Å; E545-S676 WeakPolarHBondContact OE2-CA 3.03Å; E545-S676 PolarHBondContact OE2-OG 2.86Å; Q577-S676 WeakPolarHBondContact CB-O 3.47Å; Q577-S676 PolarHBondContact N-O 2.89Å
677F95.6Very high92.9Very high16 Ų1639.1 Ų39.17%0.0724%0.239CC..EExtended strand (participates in β ladder)trans-146.3161-179.470.1-84.5000112E545 L574 E575 V576 V671 S673 F679E545-F677 HydrophobicContact CB-CD1 4.15Å; E545-F677 HydrophobicContact CB-CE1 3.59Å; L574-F677 HydrophobicContact CD1-CB 4.13Å; L574-F677 HydrophobicContact CD1-CD2 3.66Å; L574-F677 HydrophobicContact CD1-CE2 4.47Å; L574-F677 HydrophobicContact CD1-CG 4.18Å; E575-F677 CarbonylContact O-C 3.52Å; E575-F677 WeakPolarHBondContact O-CA 3.39Å; E575-F677 VanDerWaalsContact O-CB 3.27Å; E575-F677 WeakPolarHBondContact O-CB 3.28Å; V576-F677 HydrophobicContact CG2-CB 4.27Å; V671-F677 HydrophobicContact CB-CD2 4.5Å; V671-F677 HydrophobicContact CB-CE2 3.68Å; V671-F677 HydrophobicContact CB-CZ 3.84Å; V671-F677 HydrophobicContact CG1-CD2 3.96Å; V671-F677 HydrophobicContact CG1-CE1 4.2Å; V671-F677 HydrophobicContact CG1-CE2 3.54Å; V671-F677 HydrophobicContact CG1-CG 4.47Å; V671-F677 HydrophobicContact CG1-CZ 3.68Å; V671-F677 HydrophobicContact CG2-CE2 4.35Å; S673-F677 VanDerWaalsContact CB-CD1 3.43Å; F677-F679 HydrophobicContact CD2-CB 3.92Å; F677-F679 HydrophobicContact CE2-CB 3.75Å
678T96.3Very high92.7Very high77 Ų7742.5 Ų42.547%0.47226%0.257SS..EExtended strand (participates in β ladder)trans-116.3141.916369.90000109.9L574 E575L574-T678 WeakPolarHBondContact CA-O 3.41Å; E575-T678 PolarHBondContact N-O 3.15Å; E575-T678 PolarHBondContact O-N 2.69Å
679F96.3Very high92.4Very high23 Ų2346.4 Ų46.410%0.10128%0.284CS..EExtended strand (participates in β ladder)trans-139.4128.9-176.8174.3-121.6000109.8I549 Y572 K573 L574 L654 V669 V671 F677I549-F679 HydrophobicContact CB-CE1 4.1Å; I549-F679 HydrophobicContact CD1-CD1 3.9Å; I549-F679 HydrophobicContact CD1-CE1 3.59Å; I549-F679 HydrophobicContact CD1-CZ 4.04Å; I549-F679 HydrophobicContact CG1-CD1 4.11Å; I549-F679 HydrophobicContact CG1-CE1 3.65Å; I549-F679 HydrophobicContact CG1-CZ 4.4Å; Y572-F679 AromaticContact CD1-CE2 3.78Å; Y572-F679 HydrophobicContact CD1-CE2 3.78Å; Y572-F679 AromaticContact CD1-CZ 3.64Å; Y572-F679 HydrophobicContact CD1-CZ 3.64Å; Y572-F679 HydrophobicContact CE1-CZ 4.2Å; Y572-F679 AromaticContact CG-CE2 3.87Å; Y572-F679 HydrophobicContact CG-CE2 3.87Å; Y572-F679 HydrophobicContact CG-CZ 4.08Å; K573-F679 WeakPolarHBondContact O-CA 3.01Å; L574-F679 HydrophobicContact CB-CD2 4.46Å; L574-F679 HydrophobicContact CD1-CB 4.44Å; L654-F679 HydrophobicContact CD1-CD2 4.46Å; L654-F679 HydrophobicContact CD1-CE2 4.03Å; V669-F679 HydrophobicContact CB-CZ 3.95Å; V669-F679 HydrophobicContact CG1-CE1 4.38Å; V669-F679 HydrophobicContact CG1-CE2 4.22Å; V669-F679 HydrophobicContact CG1-CZ 3.56Å; V671-F679 HydrophobicContact CG2-CB 4.31Å; V671-F679 HydrophobicContact CG2-CD1 3.82Å; V671-F679 HydrophobicContact CG2-CD2 3.74Å; V671-F679 HydrophobicContact CG2-CE1 4.01Å; V671-F679 HydrophobicContact CG2-CE2 3.94Å; V671-F679 HydrophobicContact CG2-CG 3.69Å; V671-F679 HydrophobicContact CG2-CZ 4.09Å; F677-F679 HydrophobicContact CD2-CB 3.92Å; F677-F679 HydrophobicContact CE2-CB 3.75Å
680S95.5Very high92.3Very high51 Ų5150.4 Ų50.436%0.35730%0.301SS..EExtended strand (participates in β ladder)trans-156.4157.5-177.1580000112.3Y572 K573Y572-S680 CarbonylContact C-O 3.57Å; Y572-S680 WeakPolarHBondContact CA-O 3.28Å; Y572-S680 WeakPolarHBondContact CB-O 3.26Å; K573-S680 PolarHBondContact N-O 2.89Å; K573-S680 PolarHBondContact O-N 2.86Å; K573-S680 VanDerWaalsContact O-N 3.08Å
681K94.5Very high92.2Very high67 Ų6755.5 Ų55.529%0.29132%0.321SS..EExtended strand (participates in β ladder)trans-60.4138.5162.9-60.7-175.7-173.9-171.40108.3E207 I549 Y572 P683E207-K681 IonicContact OE2-NZ 3.55Å; E207-K681 PolarHBondContact OE2-NZ 2.91Å; I549-K681 HydrophobicContact CD1-CG 4.36Å; I549-K681 VanDerWaalsContact CG2-CE 3.48Å; I549-K681 HydrophobicContact CG2-CG 4.29Å; Y572-K681 HydrophobicContact CD1-CG 4.09Å; Y572-K681 HydrophobicContact CE1-CG 3.71Å; K681-P683 WeakPolarHBondContact O-CD 3.15Å
682I91.8Very high92.1Very high33 Ų3357 Ų5717%0.16933%0.328CS..PPolyproline II helixtrans-68.3118.8171.5-68.2176.1000107.8Q571 K573 G615 K617 T653Q571-I682 HydrophobicContact CB-CD1 3.91Å; Q571-I682 HydrophobicContact CB-CG1 4.49Å; Q571-I682 PolarHBondContact O-N 3.11Å; K573-I682 HydrophobicContact CB-CG1 4.18Å; G615-I682 WeakPolarHBondContact O-CD1 3.19Å; K617-I682 HydrophobicContact CB-CG2 4.41Å; T653-I682 HydrophobicContact CG2-CD1 3.58Å
683P81.5Confident92.1Very high104 Ų10462.2 Ų62.268%0.67536%0.357SS*.PPolyproline II helixtrans-71.2142.3-178.829.7-34.3000110.6K681 P685K681-P683 WeakPolarHBondContact O-CD 3.15Å; P683-P685 WeakPolarHBondContact O-CD 3.4Å
684S81.9Confident92.1Very high81 Ų8162.8 Ų62.857%0.56636%0.363SS*.PPolyproline II helixtrans-73120.6158.8178.40000108Y686S684-Y686 PolarHBondContact O-N 3.43Å; S684-Y686 WeakPolarHBondContact OG-CB 3.27Å; S684-Y686 PolarHBondContact OG-N 2.89Å; S684-Y686 VanDerWaalsContact OG-N 3.16Å; S684-Y686 PolarHBondContact OG-O 2.89Å
685P82.8Confident92.5Very high70 Ų7066.6 Ų66.646%0.45537%0.37SS..SBendtrans-70.9-14.9168.531.7-34.9000111.3P683 I804P683-P685 WeakPolarHBondContact O-CD 3.4Å; P685-I804 WeakPolarHBondContact O-CG2 3.2Å
686Y89.6Confident92.8Very high28 Ų2865.7 Ų65.711%0.1137%0.365CS..  trans-87.9123.9-177.6-44.5-64.1000110.8S684 P726 L728 E773 N802 S803S684-Y686 PolarHBondContact O-N 3.43Å; S684-Y686 WeakPolarHBondContact OG-CB 3.27Å; S684-Y686 PolarHBondContact OG-N 2.89Å; S684-Y686 VanDerWaalsContact OG-N 3.16Å; S684-Y686 PolarHBondContact OG-O 2.89Å; Y686-P726 HydrophobicContact CE1-CB 4.09Å; Y686-L728 HydrophobicContact CD2-CB 4.19Å; Y686-L728 HydrophobicContact CD2-CD2 4.17Å; Y686-L728 HydrophobicContact CE1-CB 3.92Å; Y686-L728 HydrophobicContact CE2-CB 3.52Å; Y686-L728 HydrophobicContact CE2-CD2 3.78Å; Y686-L728 HydrophobicContact CE2-CG 4.3Å; Y686-E773 WeakPolarHBondContact OH-CG 3.41Å; Y686-E773 PolarHBondContact OH-OE1 3.26Å; Y686-N802 VanDerWaalsContact CD1-C 3.46Å; Y686-N802 HydrophobicContact CD1-CB 4.28Å; Y686-N802 WeakPolarHBondContact CD1-O 3.26Å; Y686-N802 HydrophobicContact CD2-CB 3.99Å; Y686-N802 HydrophobicContact CG-CB 3.73Å; Y686-S803 WeakPolarHBondContact CA-O 3.44Å
687T90.8Very high92.9Very high110 Ų11064.5 Ų64.568%0.67536%0.356SS*.  trans-103.3-16.517854.40000112.9S803T687-S803 PolarHBondContact N-O 3.42Å
688L91.8Very high92.9Very high71 Ų7165.9 Ų65.937%0.37238%0.375SS..EExtended strand (participates in β ladder)trans-125.6133.6-179.4-63173.8000109.8N802 S803 P806L688-N802 CarbonylContact O-C 3.52Å; L688-N802 WeakPolarHBondContact O-CA 3.38Å; L688-S803 PolarHBondContact N-O 2.91Å; L688-S803 PolarHBondContact O-N 2.67Å; L688-P806 HydrophobicContact CD1-CB 4.37Å; L688-P806 HydrophobicContact CD1-CG 3.73Å
689S92.9Very high92.8Very high83 Ų8370.2 Ų70.258%0.5839%0.39SS*.EExtended strand (participates in β ladder)trans-125138.2174.5-170.10000110.2F801 N802S689-F801 CarbonylContact C-O 3.57Å; S689-F801 WeakPolarHBondContact CA-O 3.12Å; S689-N802 VanDerWaalsContact CB-OD1 3.26Å; S689-N802 WeakPolarHBondContact CB-OD1 3.33Å; S689-N802 PolarHBondContact OG-OD1 3.44Å
690K94.8Very high92.6Very high84 Ų8470.2 Ų70.237%0.36539%0.393SS..EExtended strand (participates in β ladder)trans-137.5112.7178.8-175.5168175.9174.80110.8F801 I807 I809K690-F801 PolarHBondContact N-O 2.85Å; K690-F801 PolarHBondContact O-N 3.32Å; K690-I807 WeakPolarHBondContact CD-O 3.46Å; K690-I807 PolarHBondContact NZ-O 2.93Å; K690-I809 HydrophobicContact CD-CD1 3.75Å; K690-I809 HydrophobicContact CD-CG1 4.29Å; K690-I809 HydrophobicContact CG-CD1 4.04Å
691R95.6Very high92.7Very high131 Ų13168 Ų6849%0.49438%0.378SS..EExtended strand (participates in β ladder)trans-85.7136.7175.2-179.8161.8-69.3163.43.9111.7N693 F798 D800R691-N693 WeakPolarHBondContact CD-OD1 3.43Å; R691-N693 WeakPolarHBondContact CG-OD1 3.43Å; R691-F798 HydrophobicContact CG-CD1 4.44Å; R691-D800 WeakPolarHBondContact CA-OD1 3.38Å; R691-D800 WeakPolarHBondContact CB-OD1 3.22Å; R691-D800 VanDerWaalsContact CG-OD1 3.27Å; R691-D800 WeakPolarHBondContact CG-OD1 3.47Å; R691-D800 IonicContact CZ-OD1 2.78Å; R691-D800 IonicContact CZ-OD2 2.86Å; R691-D800 IonicContact NE-OD1 2.69Å; R691-D800 PolarHBondContact NE-OD1 3.19Å; R691-D800 IonicContact NE-OD2 3.66Å; R691-D800 PolarHBondContact NE-OD2 3.31Å; R691-D800 IonicContact NH2-OD1 2.64Å; R691-D800 PolarHBondContact NH2-OD1 2.84Å; R691-D800 IonicContact NH2-OD2 3.67Å; R691-D800 PolarHBondContact NH2-OD2 2.81Å
692I96.6Very high92.7Very high32 Ų3264.9 Ų64.916%0.16436%0.364CS..EExtended strand (participates in β ladder)trans-111.3132.5161-57.2-61.7000108.3Y717 F798 L799 F801 I809I692-Y717 HydrophobicContact CG2-CD1 4.04Å; I692-Y717 HydrophobicContact CG2-CE1 3.64Å; I692-F798 WeakPolarHBondContact O-CA 3.24Å; I692-L799 HydrophobicContact CB-CB 4.38Å; I692-L799 PolarHBondContact N-O 2.81Å; I692-L799 PolarHBondContact O-N 2.91Å; I692-F801 HydrophobicContact CG1-CE2 4.17Å; I692-I809 HydrophobicContact CD1-CB 4.27Å; I692-I809 HydrophobicContact CD1-CD1 4.13Å; I692-I809 HydrophobicContact CD1-CG2 4.06Å; I692-I809 HydrophobicContact CG1-CD1 4.06Å; I692-I809 HydrophobicContact CG1-CG2 4.14Å
693N96.9Very high92.9Very high119 Ų11963.3 Ų63.364%0.63636%0.356SS*.EExtended strand (participates in β ladder)trans-98.1110.8173.3-60.6-14.4000108R691 F798R691-N693 WeakPolarHBondContact CD-OD1 3.43Å; R691-N693 WeakPolarHBondContact CG-OD1 3.43Å; N693-F798 VanDerWaalsContact OD1-CD1 3.28Å; N693-F798 WeakPolarHBondContact OD1-CD1 3.43Å
694G96.1Very high93.6Very high12 Ų1258.5 Ų58.512%0.12433%0.325CS..EExtended strand (participates in β ladder)trans-118.3-179.7-179.800000113P796 F797G694-P796 WeakPolarHBondContact O-CA 3.5Å; G694-F797 PolarHBondContact N-O 3.14Å; G694-F797 PolarHBondContact O-N 3.09Å
695K96.8Very high94.1Very high126 Ų12656.1 Ų56.155%0.54831%0.313SS..EExtended strand (participates in β ladder)trans-152.7149.317262.8172.1-175.2160.50112.1S697 P715 G795 F797K695-S697 VanDerWaalsContact CE-OG 3.28Å; K695-S697 WeakPolarHBondContact CE-OG 3.36Å; K695-S697 PolarHBondContact NZ-OG 2.87Å; K695-P715 WeakPolarHBondContact O-CG 3.31Å; K695-G795 CarbonylContact C-O 3.15Å; K695-G795 VanDerWaalsContact CA-O 3.3Å; K695-G795 WeakPolarHBondContact CA-O 3.31Å; K695-F797 VanDerWaalsContact C-CE1 3.47Å; K695-F797 VanDerWaalsContact N-CE1 3.3Å
696W97.4Very high94.6Very high1 Ų159 Ų590%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-95122.3160.3-56.8-68.5000107.7A701 L731 V739 P786 T788 E794 G795 F797W696-A701 HydrophobicContact CB-CB 4.13Å; W696-L731 HydrophobicContact CH2-CD1 4.34Å; W696-L731 HydrophobicContact CH2-CD2 4.37Å; W696-L731 HydrophobicContact CZ2-CD1 4.45Å; W696-L731 HydrophobicContact CZ2-CD2 4.28Å; W696-V739 HydrophobicContact CH2-CB 4.22Å; W696-V739 HydrophobicContact CH2-CG1 3.58Å; W696-V739 HydrophobicContact CZ3-CG1 3.92Å; W696-P786 HydrophobicContact CZ2-CB 4.19Å; W696-P786 PolarHBondContact NE1-O 3.42Å; W696-T788 HydrophobicContact CD2-CG2 3.77Å; W696-T788 HydrophobicContact CE3-CG2 3.59Å; W696-T788 HydrophobicContact CG-CG2 4.34Å; W696-T788 HydrophobicContact CH2-CG2 4.29Å; W696-T788 HydrophobicContact CZ2-CG2 4.44Å; W696-T788 HydrophobicContact CZ3-CG2 3.87Å; W696-E794 CarbonylContact O-C 3.48Å; W696-E794 VanDerWaalsContact O-CA 3.31Å; W696-E794 WeakPolarHBondContact O-CA 3.15Å; W696-E794 WeakPolarHBondContact O-CB 3.33Å; W696-G795 PolarHBondContact N-O 3.16Å; W696-G795 PolarHBondContact O-N 2.83Å; W696-F797 AromaticContact CD2-CD1 3.56Å; W696-F797 HydrophobicContact CD2-CD1 3.56Å; W696-F797 AromaticContact CD2-CE1 3.87Å; W696-F797 HydrophobicContact CD2-CE1 3.87Å; W696-F797 AromaticContact CE2-CD1 3.46Å; W696-F797 VanDerWaalsContact CE2-CD1 3.46Å; W696-F797 AromaticContact CE2-CE1 3.58Å; W696-F797 HydrophobicContact CE3-CB 4.48Å; W696-F797 AromaticContact CE3-CD1 3.7Å; W696-F797 HydrophobicContact CE3-CD1 3.7Å; W696-F797 HydrophobicContact CE3-CE1 4.46Å; W696-F797 HydrophobicContact CG-CD1 4.26Å; W696-F797 HydrophobicContact CG-CE1 4.16Å; W696-F797 HydrophobicContact CH2-CB 3.72Å; W696-F797 AromaticContact CH2-CD1 3.72Å; W696-F797 HydrophobicContact CH2-CD1 3.72Å; W696-F797 AromaticContact CH2-CG 3.93Å; W696-F797 HydrophobicContact CH2-CG 3.93Å; W696-F797 HydrophobicContact CZ2-CB 4.33Å; W696-F797 AromaticContact CZ2-CD1 3.56Å; W696-F797 HydrophobicContact CZ2-CD1 3.56Å; W696-F797 AromaticContact CZ2-CE1 3.99Å; W696-F797 HydrophobicContact CZ2-CE1 3.99Å; W696-F797 HydrophobicContact CZ2-CG 4.02Å; W696-F797 HydrophobicContact CZ3-CB 3.81Å; W696-F797 AromaticContact CZ3-CD1 3.79Å; W696-F797 HydrophobicContact CZ3-CD1 3.79Å; W696-F797 HydrophobicContact CZ3-CG 4.19Å; W696-F797 AromaticContact NE1-CE1 3.66Å
697S95.6Very high94.9Very high36 Ų3661.3 Ų61.325%0.25234%0.335SS..  trans-156134.2179.160.80000112.7K695 Q699 S700 E794K695-S697 VanDerWaalsContact CE-OG 3.28Å; K695-S697 WeakPolarHBondContact CE-OG 3.36Å; K695-S697 PolarHBondContact NZ-OG 2.87Å; S697-Q699 PolarHBondContact O-N 2.56Å; S697-S700 PolarHBondContact N-OG 2.92Å; S697-S700 PolarHBondContact O-N 3.42Å; S697-S700 PolarHBondContact O-OG 3.35Å; S697-S700 VanDerWaalsContact O-OG 3.11Å; S697-E794 VanDerWaalsContact CA-OE2 3.29Å; S697-E794 WeakPolarHBondContact CA-OE2 3.37Å
698G95.3Very high95Very high45 Ų4563.9 Ų63.946%0.46434%0.34SS..G310 helixtrans56.5-125.7-17500000111.8S700 A701 E794G698-S700 PolarHBondContact O-N 2.69Å; G698-A701 PolarHBondContact O-N 3.37Å; G698-E794 WeakPolarHBondContact CA-OE1 3.43Å; G698-E794 PolarHBondContact N-OE1 2.86Å; G698-E794 PolarHBondContact N-OE2 3.27Å
699Q93.7Very high95.1Very high168 Ų16868.2 Ų68.279%0.78536%0.358SS*.G310 helixtrans-62.1-24.3-178.5-63.1-174.39.600113.5S697 A701 N713S697-Q699 PolarHBondContact O-N 2.56Å; Q699-A701 VanDerWaalsContact C-N 3.3Å; Q699-A701 PolarHBondContact O-N 3.1Å; Q699-N713 WeakPolarHBondContact O-CB 3.26Å
700S93.6Very high95.2Very high23 Ų2366.7 Ų66.716%0.16135%0.345CS..G310 helixtrans-81.2-3-18077.10000114.9S697 G698 G702 N713 N714S697-S700 PolarHBondContact N-OG 2.92Å; S697-S700 PolarHBondContact O-N 3.42Å; S697-S700 PolarHBondContact O-OG 3.35Å; S697-S700 VanDerWaalsContact O-OG 3.11Å; G698-S700 PolarHBondContact O-N 2.69Å; S700-G702 PolarHBondContact O-N 2.9Å; S700-N713 VanDerWaalsContact CA-O 3.31Å; S700-N713 WeakPolarHBondContact CA-O 3.36Å; S700-N714 PolarHBondContact O-OD1 2.79Å
701A96.1Very high95.2Very high5 Ų563.7 Ų63.74%0.04133%0.333CS..  trans-8163.5166.100000110.2W696 G698 Q699 G703 P791 K792 E794W696-A701 HydrophobicContact CB-CB 4.13Å; G698-A701 PolarHBondContact O-N 3.37Å; Q699-A701 VanDerWaalsContact C-N 3.3Å; Q699-A701 PolarHBondContact O-N 3.1Å; A701-G703 PolarHBondContact O-N 2.92Å; A701-P791 CarbonylContact O-C 3.55Å; A701-P791 VanDerWaalsContact O-CA 3.29Å; A701-P791 WeakPolarHBondContact O-CA 3.48Å; A701-K792 PolarHBondContact O-N 3.3Å; A701-E794 HydrophobicContact CB-CG 4.02Å
702G96.1Very high95.1Very high0 Ų064.3 Ų64.30%034%0.339CS..  trans-76-19.1-166.700000115.7S700 T710 H711 N714S700-G702 PolarHBondContact O-N 2.9Å; G702-T710 WeakPolarHBondContact CA-O 3.47Å; G702-T710 CarbonylContact O-C 3.57Å; G702-T710 WeakPolarHBondContact O-CB 3.37Å; G702-T710 PolarHBondContact O-OG1 3.07Å; G702-H711 PolarHBondContact O-N 3.27Å; G702-N714 WeakPolarHBondContact CA-OD1 3.49Å; G702-N714 PolarHBondContact N-OD1 2.8Å
703G95.8Very high95.1Very high0 Ų065.1 Ų65.10%034%0.343CS..  trans77.2-178.7-174.300000113.5A701 H711 N714 T788A701-G703 PolarHBondContact O-N 2.92Å; G703-H711 PolarHBondContact O-ND1 2.91Å; G703-N714 PolarHBondContact O-ND2 2.87Å; G703-T788 CarbonylContact C-O 3.58Å; G703-T788 VanDerWaalsContact CA-O 3.26Å; G703-T788 WeakPolarHBondContact CA-O 3.48Å
704C95.8Very high95.1Very high4 Ų459.5 Ų59.53%0.02731%0.313CS..SBendtrans-75.5172.6-178.373.90000112.8N706 F707 H711 Y765 T788 F789C704-N706 PolarHBondContact O-N 2.64Å; C704-F707 PolarHBondContact O-N 3.08Å; C704-H711 VanDerWaalsContact C-ND1 3.32Å; C704-Y765 HydrophobicContact CB-CD1 4.37Å; C704-Y765 HydrophobicContact CB-CE1 3.62Å; C704-Y765 HydrophobicContact CB-CE2 3.97Å; C704-Y765 VanDerWaalsContact CB-CZ 3.4Å; C704-Y765 WeakPolarHBondContact CB-OH 3.42Å; C704-T788 PolarHBondContact N-O 3.31Å; C704-F789 HydrophobicContact CB-CD2 4.33Å; C704-F789 PolarHBondContact N-O 3.25Å; C704-F789 PolarHBondContact SG-O 3.02Å
705G92.3Very high95.1Very high31 Ų3159 Ų5932%0.3231%0.308SS..THydrogen-bonded Turntrans-57.1-15.4-176.700000116.2F707 H711G705-F707 PolarHBondContact O-N 3.45Å; G705-H711 PolarHBondContact N-ND1 3.47Å
706N94.2Very high95.2Very high129 Ų12953.9 Ų53.969%0.6929%0.287SS*.THydrogen-bonded Turntrans-64.3-24.8171.9-62.9-11.2000112.4C704 Q708C704-N706 PolarHBondContact O-N 2.64Å; N706-Q708 PolarHBondContact O-N 3.34Å
707F95.6Very high95.2Very high78 Ų7854.1 Ų54.134%0.34229%0.288SS..  trans-101.659.5-177.1-59.2-85.2000111C704 G705 E709 T710 H711 F789 L790 P791C704-F707 PolarHBondContact O-N 3.08Å; G705-F707 PolarHBondContact O-N 3.45Å; F707-E709 PolarHBondContact O-N 3.37Å; F707-T710 PolarHBondContact O-N 2.94Å; F707-T710 PolarHBondContact O-OG1 3.05Å; F707-H711 WeakPolarHBondContact O-CB 3.45Å; F707-H711 PolarHBondContact O-N 3.49Å; F707-F789 WeakPolarHBondContact CE2-O 3.3Å; F707-L790 HydrophobicContact CE2-CD2 4.13Å; F707-L790 HydrophobicContact CZ-CD2 3.88Å; F707-P791 HydrophobicContact CB-CG 3.84Å; F707-P791 HydrophobicContact CD1-CG 3.65Å; F707-P791 HydrophobicContact CD2-CG 3.92Å; F707-P791 HydrophobicContact CE1-CG 4.16Å; F707-P791 HydrophobicContact CE2-CG 4.4Å; F707-P791 HydrophobicContact CG-CG 3.51Å
708Q91.9Very high95.3Very high164 Ų16455.1 Ų55.177%0.76629%0.289SS*.Hα-helixtrans-49.7-37.5-167.6-62.4-176.93.300115N706 T710N706-Q708 PolarHBondContact O-N 3.34Å; Q708-T710 VanDerWaalsContact C-N 3.34Å; Q708-T710 PolarHBondContact O-N 3.06Å
709E93.6Very high95.3Very high162 Ų16253 Ų5376%0.75727%0.267SS*.Hα-helixtrans-63.2-35.9179.7-63.1-171.5161.600113.7F707 K712F707-E709 PolarHBondContact O-N 3.37Å; E709-K712 WeakPolarHBondContact O-CE 3.3Å; E709-K712 PolarHBondContact O-NZ 3.01Å
710T95.6Very high95.3Very high50 Ų5048.3 Ų48.331%0.30725%0.245SC..Hα-helixtrans-105.5-26-176.954.40000113.1G702 F707 Q708 K712 N713G702-T710 WeakPolarHBondContact CA-O 3.47Å; G702-T710 CarbonylContact O-C 3.57Å; G702-T710 WeakPolarHBondContact O-CB 3.37Å; G702-T710 PolarHBondContact O-OG1 3.07Å; F707-T710 PolarHBondContact O-N 2.94Å; F707-T710 PolarHBondContact O-OG1 3.05Å; Q708-T710 VanDerWaalsContact C-N 3.34Å; Q708-T710 PolarHBondContact O-N 3.06Å; T710-K712 PolarHBondContact O-N 3.41Å; T710-N713 VanDerWaalsContact O-CB 3.26Å; T710-N713 WeakPolarHBondContact O-CB 3.46Å; T710-N713 PolarHBondContact O-N 2.87Å
711H94.9Very high95.3Very high22 Ų2247.8 Ų47.810%0.10224%0.24CC..Hα-helixtrans-58.7-35.1-177.6177.471.5000112.6G702 G703 C704 G705 F707 N713 N714 E742G702-H711 PolarHBondContact O-N 3.27Å; G703-H711 PolarHBondContact O-ND1 2.91Å; C704-H711 VanDerWaalsContact C-ND1 3.32Å; G705-H711 PolarHBondContact N-ND1 3.47Å; F707-H711 WeakPolarHBondContact O-CB 3.45Å; F707-H711 PolarHBondContact O-N 3.49Å; H711-N713 PolarHBondContact O-N 3.1Å; H711-N713 VanDerWaalsContact O-N 3.09Å; H711-N714 WeakPolarHBondContact CA-ND2 3.29Å; H711-N714 PolarHBondContact ND1-ND2 2.83Å; H711-N714 VanDerWaalsContact ND1-ND2 3.15Å; H711-N714 WeakPolarHBondContact O-CB 3.24Å; H711-N714 PolarHBondContact O-N 2.81Å; H711-N714 VanDerWaalsContact O-N 3.16Å; H711-N714 PolarHBondContact O-ND2 2.92Å; H711-E742 IonicContact NE2-OE2 3.97Å
712K93.2Very high95Very high144 Ų14452 Ų5263%0.62626%0.259SS*.THydrogen-bonded Turntrans-60.1-16.5175.176.1-164.8-175.3-160.80114.3E709 T710 Q813E709-K712 WeakPolarHBondContact O-CE 3.3Å; E709-K712 PolarHBondContact O-NZ 3.01Å; T710-K712 PolarHBondContact O-N 3.41Å; K712-Q813 PolarHBondContact O-NE2 3.03Å
713N95.9Very high94.7Very high48 Ų4859 Ų5926%0.25729%0.289SS..THydrogen-bonded Turntrans-91-9.8-179.1-52.4-15.7000113.1Q699 S700 T710 H711 Q813Q699-N713 WeakPolarHBondContact O-CB 3.26Å; S700-N713 VanDerWaalsContact CA-O 3.31Å; S700-N713 WeakPolarHBondContact CA-O 3.36Å; T710-N713 VanDerWaalsContact O-CB 3.26Å; T710-N713 WeakPolarHBondContact O-CB 3.46Å; T710-N713 PolarHBondContact O-N 2.87Å; H711-N713 PolarHBondContact O-N 3.1Å; H711-N713 VanDerWaalsContact O-N 3.09Å; N713-Q813 VanDerWaalsContact C-NE2 3.34Å; N713-Q813 PolarHBondContact O-NE2 3.46Å
714N97.3Very high94.4Very high1 Ų161.7 Ų61.71%0.00531%0.306CS..SBendtrans-57156.7177.9-74.7-65.7000111.4S700 G702 G703 H711 I785 S787 Q813S700-N714 PolarHBondContact O-OD1 2.79Å; G702-N714 WeakPolarHBondContact CA-OD1 3.49Å; G702-N714 PolarHBondContact N-OD1 2.8Å; G703-N714 PolarHBondContact O-ND2 2.87Å; H711-N714 WeakPolarHBondContact CA-ND2 3.29Å; H711-N714 PolarHBondContact ND1-ND2 2.83Å; H711-N714 VanDerWaalsContact ND1-ND2 3.15Å; H711-N714 WeakPolarHBondContact O-CB 3.24Å; H711-N714 PolarHBondContact O-N 2.81Å; H711-N714 VanDerWaalsContact O-N 3.16Å; H711-N714 PolarHBondContact O-ND2 2.92Å; N714-I785 HydrophobicContact CB-CG2 3.79Å; N714-S787 WeakPolarHBondContact OD1-CB 3.12Å; N714-Q813 PolarHBondContact O-NE2 3.34Å
715P97.4Very high94.1Very high2 Ų262 Ų621%0.01331%0.309CS..  trans-56.4144.9174.1-23.434.9000111.6K695 Y717 P786 F797 Q813K695-P715 WeakPolarHBondContact O-CG 3.31Å; P715-Y717 HydrophobicContact CB-CE2 3.84Å; P715-P786 WeakPolarHBondContact O-CD 3.28Å; P715-F797 HydrophobicContact CB-CZ 4.27Å; P715-F797 HydrophobicContact CG-CE1 4.16Å; P715-F797 HydrophobicContact CG-CZ 4.17Å; P715-Q813 CarbonylContact C-O 3.57Å; P715-Q813 VanDerWaalsContact CA-O 3.24Å; P715-Q813 WeakPolarHBondContact CA-O 3.11Å
716V97.3Very high94.2Very high19 Ų1962.1 Ų62.112%0.11530%0.304CS..  trans-130.5122.2178.6-175.60000109N783 I785 L812 Q813V716-N783 HydrophobicContact CG1-CB 4.07Å; V716-I785 HydrophobicContact CG2-CG1 4.26Å; V716-L812 HydrophobicContact CB-CB 4.4Å; V716-L812 HydrophobicContact CG1-CB 4.42Å; V716-L812 HydrophobicContact CG1-CD1 4.32Å; V716-L812 PolarHBondContact O-N 3.43Å; V716-Q813 HydrophobicContact CB-CB 4Å; V716-Q813 HydrophobicContact CG2-CB 4.07Å; V716-Q813 PolarHBondContact N-O 3.28Å; V716-Q813 PolarHBondContact O-N 2.93Å
717Y97.6Very high94.2Very high6 Ų656 Ų562%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-112.2129.3174.1-55.1-88.9000109.5I692 P715 N783 I784 P786 F797 L799 T810 Q811I692-Y717 HydrophobicContact CG2-CD1 4.04Å; I692-Y717 HydrophobicContact CG2-CE1 3.64Å; P715-Y717 HydrophobicContact CB-CE2 3.84Å; Y717-N783 CarbonylContact O-C 3.46Å; Y717-N783 WeakPolarHBondContact O-CA 3.36Å; Y717-I784 PolarHBondContact N-O 2.85Å; Y717-I784 WeakPolarHBondContact O-CG2 3.35Å; Y717-I784 PolarHBondContact O-N 3.26Å; Y717-P786 HydrophobicContact CD2-CG 4.15Å; Y717-P786 HydrophobicContact CE2-CG 3.91Å; Y717-F797 HydrophobicContact CE2-CE2 4.02Å; Y717-F797 AromaticContact CE2-CZ 3.91Å; Y717-F797 HydrophobicContact CE2-CZ 3.91Å; Y717-L799 HydrophobicContact CD2-CD2 4.21Å; Y717-T810 CarbonylContact C-O 3.51Å; Y717-T810 WeakPolarHBondContact CA-O 3.4Å; Y717-Q811 HydrophobicContact CD1-CB 3.7Å; Y717-Q811 HydrophobicContact CD1-CG 3.87Å; Y717-Q811 HydrophobicContact CE1-CB 3.66Å; Y717-Q811 HydrophobicContact CE1-CG 3.54Å
718Q97.4Very high94.2Very high57 Ų5752.5 Ų52.527%0.26626%0.257SS..EExtended strand (participates in β ladder)trans-92.3136.6170.2-176.516399.900109.8I781 F782 N783 I809 T810 L812Q718-I781 HydrophobicContact CG-CG2 3.49Å; Q718-I781 VanDerWaalsContact CG-CG2 3.49Å; Q718-F782 CarbonylContact C-O 3.4Å; Q718-F782 WeakPolarHBondContact CA-O 3.27Å; Q718-N783 WeakPolarHBondContact CB-OD1 3.33Å; Q718-N783 WeakPolarHBondContact CG-OD1 3.47Å; Q718-N783 PolarHBondContact NE2-OD1 3.11Å; Q718-I809 CarbonylContact O-C 3.54Å; Q718-I809 VanDerWaalsContact O-CA 3.28Å; Q718-I809 WeakPolarHBondContact O-CA 3.26Å; Q718-T810 PolarHBondContact N-O 3.31Å; Q718-T810 PolarHBondContact O-N 3.23Å; Q718-L812 HydrophobicContact CB-CD1 3.89Å; Q718-L812 HydrophobicContact CB-CD2 4.17Å; Q718-L812 HydrophobicContact CB-CG 3.91Å
719F96Very high94.4Very high1 Ų144.7 Ų44.70%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-131.7147.1174.169.6-86.5000112.1I721 L727 I729 V743 I777 F782 I784 F801 I807 K808 I809F719-I721 HydrophobicContact CD2-CD1 3.88Å; F719-I721 HydrophobicContact CD2-CG1 4.08Å; F719-I721 HydrophobicContact CE2-CD1 3.97Å; F719-I721 HydrophobicContact CE2-CG1 3.98Å; F719-L727 HydrophobicContact CE2-CD2 3.74Å; F719-L727 HydrophobicContact CZ-CD2 4.19Å; F719-I729 HydrophobicContact CE1-CD1 4.43Å; F719-I729 HydrophobicContact CZ-CD1 4.11Å; F719-V743 HydrophobicContact CE1-CG1 4.02Å; F719-V743 HydrophobicContact CZ-CG1 3.86Å; F719-I777 HydrophobicContact CE2-CD1 4.09Å; F719-I777 HydrophobicContact CZ-CD1 4.35Å; F719-F782 HydrophobicContact CD1-CB 4.04Å; F719-F782 WeakPolarHBondContact CD1-O 3.37Å; F719-F782 HydrophobicContact CD2-CB 4.3Å; F719-F782 HydrophobicContact CD2-CD2 4.39Å; F719-F782 HydrophobicContact CE1-CB 3.56Å; F719-F782 HydrophobicContact CE2-CB 3.84Å; F719-F782 AromaticContact CE2-CD2 3.93Å; F719-F782 HydrophobicContact CE2-CD2 3.93Å; F719-F782 HydrophobicContact CE2-CG 4.11Å; F719-F782 HydrophobicContact CG-CB 4.4Å; F719-F782 HydrophobicContact CZ-CB 3.46Å; F719-F782 VanDerWaalsContact CZ-CB 3.46Å; F719-F782 HydrophobicContact CZ-CD2 4.32Å; F719-F782 HydrophobicContact CZ-CG 4.02Å; F719-F782 PolarHBondContact N-O 2.85Å; F719-F782 PolarHBondContact O-N 2.86Å; F719-I784 HydrophobicContact CD1-CB 4.49Å; F719-I784 HydrophobicContact CD1-CG2 4.06Å; F719-I784 HydrophobicContact CE1-CB 4.12Å; F719-I784 HydrophobicContact CE1-CG2 4.17Å; F719-F801 HydrophobicContact CB-CE1 4.27Å; F719-F801 AromaticContact CD1-CE1 3.73Å; F719-F801 HydrophobicContact CD1-CE1 3.73Å; F719-F801 HydrophobicContact CD1-CZ 4.26Å; F719-F801 HydrophobicContact CD2-CE1 4.25Å; F719-F801 HydrophobicContact CE1-CE1 4.02Å; F719-F801 AromaticContact CG-CE1 3.85Å; F719-F801 HydrophobicContact CG-CE1 3.85Å; F719-F801 HydrophobicContact CZ-CE1 4.4Å; F719-I807 HydrophobicContact CB-CG2 3.78Å; F719-I807 HydrophobicContact CD2-CG2 4.18Å; F719-I807 HydrophobicContact CG-CG2 4.43Å; F719-K808 VanDerWaalsContact CA-O 3.26Å; F719-K808 WeakPolarHBondContact CA-O 3.29Å; F719-I809 HydrophobicContact CB-CG1 4.04Å
720H94.9Very high94.5Very high69 Ų6937.6 Ų37.632%0.31919%0.187SC..EExtended strand (participates in β ladder)trans-115.8123.2-178.1-179.9-169.8000109.7G780 K808H720-G780 PolarHBondContact CD2-O 3.1Å; H720-K808 HydrophobicContact CB-CB 4.46Å; H720-K808 PolarHBondContact N-O 2.94Å
721I92.1Very high94.6Very high12 Ų1235.2 Ų35.26%0.06217%0.173CC..EExtended strand (participates in β ladder)trans-98107.2170.4-57.1-56.4000107.9F719 K723 L727 I777 S779 G780 F782 I807F719-I721 HydrophobicContact CD2-CD1 3.88Å; F719-I721 HydrophobicContact CD2-CG1 4.08Å; F719-I721 HydrophobicContact CE2-CD1 3.97Å; F719-I721 HydrophobicContact CE2-CG1 3.98Å; I721-K723 VanDerWaalsContact C-N 3.35Å; I721-K723 VanDerWaalsContact CG2-O 3.24Å; I721-K723 WeakPolarHBondContact CG2-O 3.35Å; I721-L727 HydrophobicContact CD1-CD2 4.22Å; I721-I777 HydrophobicContact CD1-CG2 4.47Å; I721-I777 HydrophobicContact CG1-CD1 4.19Å; I721-I777 HydrophobicContact CG1-CG1 4.5Å; I721-I777 HydrophobicContact CG1-CG2 4.19Å; I721-I777 HydrophobicContact CG2-CG2 4.27Å; I721-S779 CarbonylContact O-C 3.51Å; I721-S779 VanDerWaalsContact O-CA 3.24Å; I721-S779 WeakPolarHBondContact O-CA 3.45Å; I721-G780 PolarHBondContact N-O 2.96Å; I721-G780 PolarHBondContact O-N 3.14Å; I721-F782 HydrophobicContact CB-CE2 4.19Å; I721-F782 HydrophobicContact CG1-CD2 4.06Å; I721-F782 HydrophobicContact CG1-CE2 3.9Å; I721-I807 HydrophobicContact CD1-CD1 3.67Å; I721-I807 HydrophobicContact CD1-CG1 3.96Å; I721-I807 HydrophobicContact CD1-CG2 4.43Å
722E90Very high94.6Very high92 Ų9236.3 Ų36.343%0.4318%0.176SC..SBendtrans-74.2-25.5-175.2-59.7-171.7158.100113.1K808E722-K808 WeakPolarHBondContact OE1-CE 3.33Å; E722-K808 IonicContact OE1-NZ 3.83Å; E722-K808 PolarHBondContact OE1-NZ 3.26Å
723K89.4Confident94.6Very high147 Ų14730.3 Ų30.364%0.63916%0.155SC*.SBendtrans-146.9138.6176.4172.4179.5176.3-177.10110.5I721 I805I721-K723 VanDerWaalsContact C-N 3.35Å; I721-K723 VanDerWaalsContact CG2-O 3.24Å; I721-K723 WeakPolarHBondContact CG2-O 3.35Å; K723-I805 HydrophobicContact CB-CD1 3.87Å; K723-I805 HydrophobicContact CD-CD1 4.47Å; K723-I805 HydrophobicContact CG-CD1 4.2Å; K723-I805 WeakPolarHBondContact O-CD1 3.43Å
724T89.6Confident94.4Very high58 Ų5829 Ų2936%0.35615%0.149SC..  trans-51.9133.6176.4-57.80000113.1N776 I777 S779T724-N776 WeakPolarHBondContact CG2-OD1 3.4Å; T724-I777 VanDerWaalsContact CA-O 3.28Å; T724-I777 WeakPolarHBondContact CA-O 3.28Å; T724-S779 PolarHBondContact OG1-N 3.01Å; T724-S779 PolarHBondContact OG1-OG 3.45Å
725G90.4Very high94Very high9 Ų935.6 Ų35.69%0.09317%0.174CC..EExtended strand (participates in β ladder)trans171.4-173.6-179.200000113.9N776 I777G725-N776 WeakPolarHBondContact O-CA 3.35Å; G725-I777 PolarHBondContact N-O 3.09Å; G725-I777 VanDerWaalsContact O-CG2 3.31Å; G725-I777 WeakPolarHBondContact O-CG2 3.44Å; G725-I777 PolarHBondContact O-N 3.43Å
726P93.2Very high93.7Very high34 Ų3441.7 Ų41.722%0.22120%0.202CC..EExtended strand (participates in β ladder)trans-75.2142.6-177.129.8-36.6000113.7Y686 L774 E775 I804Y686-P726 HydrophobicContact CE1-CB 4.09Å; P726-L774 WeakPolarHBondContact CA-O 3.41Å; P726-E775 WeakPolarHBondContact CA-O 3.44Å; P726-E775 WeakPolarHBondContact CB-O 3.42Å; P726-I804 HydrophobicContact CG-CD1 4.32Å; P726-I804 HydrophobicContact CG-CG1 4.22Å; P726-I804 HydrophobicContact CG-CG2 4.2Å
727L94.4Very high93.5Very high1 Ų143 Ų431%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-141.5128.1178.117461.7000111F719 I721 I729 L774 I777 F801 I807F719-L727 HydrophobicContact CE2-CD2 3.74Å; F719-L727 HydrophobicContact CZ-CD2 4.19Å; I721-L727 HydrophobicContact CD1-CD2 4.22Å; L727-I729 HydrophobicContact CD1-CG1 4.17Å; L727-I729 HydrophobicContact CD2-CD1 4.07Å; L727-I729 HydrophobicContact CD2-CG1 4.11Å; L727-I729 HydrophobicContact CG-CD1 4.47Å; L727-I729 HydrophobicContact CG-CG1 3.98Å; L727-L774 PolarHBondContact N-O 2.89Å; L727-L774 PolarHBondContact O-N 2.83Å; L727-I777 HydrophobicContact CB-CG2 3.61Å; L727-I777 HydrophobicContact CD2-CD1 3.77Å; L727-I777 HydrophobicContact CD2-CG2 3.98Å; L727-I777 HydrophobicContact CG-CG2 4.46Å; L727-F801 HydrophobicContact CD1-CD1 4.43Å; L727-I807 HydrophobicContact CD1-CD1 3.66Å
728L95.4Very high93.5Very high5 Ų544.5 Ų44.53%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-111.3128.6165.5162.871.3000109Y619 Y686 E730 Y771 E773 N802Y619-L728 HydrophobicContact CE1-CD1 4.04Å; Y619-L728 HydrophobicContact CE1-CD2 4.08Å; Y619-L728 WeakPolarHBondContact OH-CD2 3.43Å; Y686-L728 HydrophobicContact CD2-CB 4.19Å; Y686-L728 HydrophobicContact CD2-CD2 4.17Å; Y686-L728 HydrophobicContact CE1-CB 3.92Å; Y686-L728 HydrophobicContact CE2-CB 3.52Å; Y686-L728 HydrophobicContact CE2-CD2 3.78Å; Y686-L728 HydrophobicContact CE2-CG 4.3Å; L728-E730 HydrophobicContact CD1-CG 4.17Å; L728-E730 HydrophobicContact CD2-CG 4.28Å; L728-E730 HydrophobicContact CG-CG 4.16Å; L728-Y771 HydrophobicContact CD1-CD2 3.74Å; L728-Y771 HydrophobicContact CD1-CG 4.37Å; L728-E773 HydrophobicContact CD1-CB 4.26Å; L728-N802 HydrophobicContact CB-CB 4.17Å; L728-N802 HydrophobicContact CD2-CB 4.26Å; L728-N802 HydrophobicContact CG-CB 4.42Å; L728-N802 PolarHBondContact N-O 2.76Å; L728-N802 PolarHBondContact O-N 3.17Å
729I96.8Very high93.4Very high0 Ų041.8 Ų41.80%020%0.204CC..EExtended strand (participates in β ladder)trans-112.7127171-53.9176.6000108.3F719 L727 F741 V743 Y771 L772 I784 L799 D800 F801F719-I729 HydrophobicContact CE1-CD1 4.43Å; F719-I729 HydrophobicContact CZ-CD1 4.11Å; L727-I729 HydrophobicContact CD1-CG1 4.17Å; L727-I729 HydrophobicContact CD2-CD1 4.07Å; L727-I729 HydrophobicContact CD2-CG1 4.11Å; L727-I729 HydrophobicContact CG-CD1 4.47Å; L727-I729 HydrophobicContact CG-CG1 3.98Å; I729-F741 HydrophobicContact CB-CE2 4.06Å; I729-F741 HydrophobicContact CB-CZ 3.77Å; I729-F741 HydrophobicContact CD1-CE2 4.42Å; I729-F741 HydrophobicContact CG2-CE1 4.22Å; I729-F741 HydrophobicContact CG2-CE2 3.89Å; I729-F741 HydrophobicContact CG2-CZ 3.61Å; I729-V743 HydrophobicContact CD1-CG2 3.97Å; I729-Y771 CarbonylContact O-C 3.47Å; I729-Y771 WeakPolarHBondContact O-CA 3.36Å; I729-Y771 WeakPolarHBondContact O-CB 3.41Å; I729-L772 PolarHBondContact N-O 2.84Å; I729-L772 PolarHBondContact O-N 2.83Å; I729-I784 HydrophobicContact CD1-CD1 4.02Å; I729-I784 HydrophobicContact CG2-CD1 3.73Å; I729-L799 HydrophobicContact CG2-CD1 3.62Å; I729-L799 HydrophobicContact CG2-CG 4.4Å; I729-D800 WeakPolarHBondContact CA-O 3.31Å; I729-F801 HydrophobicContact CD1-CD1 4.23Å; I729-F801 HydrophobicContact CD1-CE1 4.04Å; I729-F801 HydrophobicContact CG1-CD1 4Å; I729-F801 HydrophobicContact CG1-CE1 4.28Å
730E96.2Very high93.5Very high13 Ų1341.7 Ų41.76%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-115.4130.6172.6-62.9-175.790.300110.6L728 R732 F769 L799 D800L728-E730 HydrophobicContact CD1-CG 4.17Å; L728-E730 HydrophobicContact CD2-CG 4.28Å; L728-E730 HydrophobicContact CG-CG 4.16Å; E730-R732 IonicContact OE1-CZ 2.68Å; E730-R732 IonicContact OE1-NE 2.67Å; E730-R732 IonicContact OE1-NH2 2.7Å; E730-R732 PolarHBondContact OE1-NH2 2.86Å; E730-R732 IonicContact OE2-CZ 2.67Å; E730-R732 IonicContact OE2-NH1 3.93Å; E730-R732 IonicContact OE2-NH2 3.19Å; E730-R732 PolarHBondContact OE2-NH2 2.87Å; E730-F769 HydrophobicContact CB-CE2 4.09Å; E730-F769 HydrophobicContact CG-CE2 4.15Å; E730-F769 HydrophobicContact CG-CZ 4.49Å; E730-F769 VanDerWaalsContact OE1-CE2 3.24Å; E730-F769 WeakPolarHBondContact OE1-CE2 3.4Å; E730-F769 WeakPolarHBondContact OE1-CZ 3.42Å; E730-L799 WeakPolarHBondContact O-CA 3.29Å; E730-D800 HydrophobicContact CB-CB 4.28Å; E730-D800 PolarHBondContact N-O 3.47Å; E730-D800 PolarHBondContact O-N 3.05Å
731L96.6Very high93.6Very high0 Ų038.5 Ų38.50%019%0.189CC..EExtended strand (participates in β ladder)trans-108.8125.4170175.963.5000109.4W696 V739 G740 F741 F769 C770 P786 F797 L799W696-L731 HydrophobicContact CH2-CD1 4.34Å; W696-L731 HydrophobicContact CH2-CD2 4.37Å; W696-L731 HydrophobicContact CZ2-CD1 4.45Å; W696-L731 HydrophobicContact CZ2-CD2 4.28Å; L731-V739 HydrophobicContact CD2-CB 4.04Å; L731-V739 HydrophobicContact CD2-CG2 4.37Å; L731-V739 HydrophobicContact CG-CB 4.49Å; L731-V739 HydrophobicContact CG-CG2 4.39Å; L731-G740 WeakPolarHBondContact CD2-O 3.36Å; L731-F741 HydrophobicContact CB-CD1 3.6Å; L731-F741 HydrophobicContact CB-CE1 3.82Å; L731-F741 HydrophobicContact CD2-CB 4.32Å; L731-F741 HydrophobicContact CD2-CD1 3.95Å; L731-F741 HydrophobicContact CG-CD1 4.42Å; L731-F769 WeakPolarHBondContact O-CA 3.42Å; L731-C770 PolarHBondContact N-O 3.4Å; L731-C770 PolarHBondContact O-N 3.06Å; L731-P786 HydrophobicContact CD1-CB 3.96Å; L731-P786 HydrophobicContact CD2-CB 3.93Å; L731-F797 HydrophobicContact CD1-CB 3.95Å; L731-F797 HydrophobicContact CD1-CD2 3.72Å; L731-F797 HydrophobicContact CD1-CE2 4.5Å; L731-F797 HydrophobicContact CD1-CG 4.01Å; L731-L799 HydrophobicContact CB-CD1 4.15Å; L731-L799 HydrophobicContact CD1-CD1 4.25Å
732R94.8Very high93.8Very high44 Ų4439.2 Ų39.217%0.16619%0.192CC..EExtended strand (participates in β ladder)trans-123.7120-179.1-68.4161.4176.5165.4-7.5108.9N568 E730 G768 F769 F797 F798 D800N568-R732 PolarHBondContact ND2-NH2 2.78Å; N568-R732 VanDerWaalsContact ND2-NH2 3.19Å; E730-R732 IonicContact OE1-CZ 2.68Å; E730-R732 IonicContact OE1-NE 2.67Å; E730-R732 IonicContact OE1-NH2 2.7Å; E730-R732 PolarHBondContact OE1-NH2 2.86Å; E730-R732 IonicContact OE2-CZ 2.67Å; E730-R732 IonicContact OE2-NH1 3.93Å; E730-R732 IonicContact OE2-NH2 3.19Å; E730-R732 PolarHBondContact OE2-NH2 2.87Å; R732-G768 WeakPolarHBondContact CA-O 3.46Å; R732-F769 HydrophobicContact CG-CD2 3.79Å; R732-F769 HydrophobicContact CG-CE2 4.3Å; R732-F797 CarbonylContact O-C 3.58Å; R732-F797 VanDerWaalsContact O-CA 3.25Å; R732-F797 WeakPolarHBondContact O-CA 3.47Å; R732-F797 WeakPolarHBondContact O-CB 3.41Å; R732-F798 HydrophobicContact CB-CB 4.33Å; R732-F798 PolarHBondContact N-O 3.22Å; R732-F798 PolarHBondContact O-N 2.94Å; R732-D800 IonicContact CZ-OD2 3.62Å; R732-D800 IonicContact NH1-OD2 3.64Å; R732-D800 PolarHBondContact NH1-OD2 2.71Å
733G93.7Very high94.2Very high19 Ų1934.9 Ų34.920%0.19617%0.172CC..  trans-135.3-171.9-175.800000113.1R735 G768G733-R735 PolarHBondContact O-N 3.46Å; G733-G768 PolarHBondContact N-O 2.62Å; G733-G768 WeakPolarHBondContact O-CA 3.43Å
734P92.5Very high94.5Very high21 Ų2129.4 Ų29.414%0.13615%0.15CC..  trans-65132.3179.4-18.332.8000111Q736 Y737 P796P734-Q736 VanDerWaalsContact CB-CD 3.48Å; P734-Q736 VanDerWaalsContact CB-OE1 3.28Å; P734-Q736 PolarHBondContact O-N 2.63Å; P734-Q736 VanDerWaalsContact O-N 3.09Å; P734-Y737 HydrophobicContact CB-CD2 3.74Å; P734-Y737 HydrophobicContact CB-CE2 3.94Å; P734-Y737 HydrophobicContact CG-CD2 3.78Å; P734-Y737 HydrophobicContact CG-CE2 3.95Å; P734-Y737 PolarHBondContact O-N 3.4Å; P734-P796 WeakPolarHBondContact CD-O 3.41Å
735R87.9Confident94.8Very high139 Ų13927.7 Ų27.753%0.52514%0.14SC..THydrogen-bonded Turntrans-60.7-24.4-172.4-67.1-179-177.4158.62.5114.1Y564 G733 Y737Y564-R735 HydrophobicContact CE1-CG 4.29Å; Y564-R735 VanDerWaalsContact CZ-NE 3.33Å; Y564-R735 PolarHBondContact OH-NE 3.33Å; Y564-R735 PolarHBondContact OH-NH2 3.47Å; Y564-R735 VanDerWaalsContact OH-NH2 3.1Å; G733-R735 PolarHBondContact O-N 3.46Å; R735-Y737 PolarHBondContact O-N 3.15Å
736Q91.6Very high94.9Very high130 Ų13031 Ų3161%0.60716%0.158SC*.THydrogen-bonded Turntrans-76.1-6.3177.770.9-8417.400114.2P734P734-Q736 VanDerWaalsContact CB-CD 3.48Å; P734-Q736 VanDerWaalsContact CB-OE1 3.28Å; P734-Q736 PolarHBondContact O-N 2.63Å; P734-Q736 VanDerWaalsContact O-N 3.09Å
737Y94Very high94.9Very high47 Ų4731.7 Ų31.718%0.18416%0.164CC..SBendtrans-117.3134.1177.6-51.3-43.3000110.9P734 R735 V739 C767 G768 T788 Q793 E794P734-Y737 HydrophobicContact CB-CD2 3.74Å; P734-Y737 HydrophobicContact CB-CE2 3.94Å; P734-Y737 HydrophobicContact CG-CD2 3.78Å; P734-Y737 HydrophobicContact CG-CE2 3.95Å; P734-Y737 PolarHBondContact O-N 3.4Å; R735-Y737 PolarHBondContact O-N 3.15Å; Y737-V739 PolarHBondContact O-N 2.99Å; Y737-C767 WeakPolarHBondContact O-CA 3.45Å; Y737-G768 PolarHBondContact O-N 2.88Å; Y737-T788 HydrophobicContact CD2-CG2 4.45Å; Y737-Q793 HydrophobicContact CD1-CB 3.76Å; Y737-Q793 VanDerWaalsContact CD1-CD 3.43Å; Y737-Q793 HydrophobicContact CD1-CG 3.7Å; Y737-Q793 HydrophobicContact CD2-CB 4.19Å; Y737-Q793 HydrophobicContact CE1-CB 3.83Å; Y737-Q793 HydrophobicContact CE1-CG 3.8Å; Y737-Q793 HydrophobicContact CE2-CB 4.28Å; Y737-Q793 HydrophobicContact CG-CB 3.97Å; Y737-Q793 HydrophobicContact CG-CG 4.35Å; Y737-E794 WeakPolarHBondContact CE2-O 3.48Å; Y737-E794 PolarHBondContact OH-O 3.15Å
738S95.7Very high94.6Very high36 Ų3634 Ų3425%0.25218%0.178SC..EExtended strand (participates in β ladder)trans-72.1121.5164.5-58.30000108.7R766 T788 F789S738-R766 WeakPolarHBondContact CA-O 3.02Å; S738-T788 CarbonylContact O-C 3.6Å; S738-F789 PolarHBondContact O-N 3.43Å
739V96.7Very high94Very high0 Ų038.7 Ų38.70%021%0.207CC..EExtended strand (participates in β ladder)trans-113.6149.3-176-63.60000111.2W696 L731 Y737 Y765 R766 C770W696-V739 HydrophobicContact CH2-CB 4.22Å; W696-V739 HydrophobicContact CH2-CG1 3.58Å; W696-V739 HydrophobicContact CZ3-CG1 3.92Å; L731-V739 HydrophobicContact CD2-CB 4.04Å; L731-V739 HydrophobicContact CD2-CG2 4.37Å; L731-V739 HydrophobicContact CG-CB 4.49Å; L731-V739 HydrophobicContact CG-CG2 4.39Å; Y737-V739 PolarHBondContact O-N 2.99Å; V739-Y765 WeakPolarHBondContact O-CA 3.43Å; V739-R766 WeakPolarHBondContact CG2-O 3.42Å; V739-R766 PolarHBondContact N-O 3.13Å; V739-R766 PolarHBondContact O-N 2.89Å; V739-R766 VanDerWaalsContact O-N 3.09Å; V739-C770 PolarHBondContact O-SG 2.78Å
740G97.4Very high93Very high0 Ų041.6 Ų41.60%024%0.237CC..EExtended strand (participates in β ladder)trans-154.9164.6-179.500000110.9L731 S762 S787L731-G740 WeakPolarHBondContact CD2-O 3.36Å; G740-S762 WeakPolarHBondContact CA-OG 3.18Å; G740-S787 PolarHBondContact N-O 3.21Å; G740-S787 PolarHBondContact O-N 3.44Å
741F97.8Very high92Very high1 Ų148 Ų480%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-145.4155171.760.9-95.1000112.6I729 L731 V743 S761 S762 L772 I784 I785 P786I729-F741 HydrophobicContact CB-CE2 4.06Å; I729-F741 HydrophobicContact CB-CZ 3.77Å; I729-F741 HydrophobicContact CD1-CE2 4.42Å; I729-F741 HydrophobicContact CG2-CE1 4.22Å; I729-F741 HydrophobicContact CG2-CE2 3.89Å; I729-F741 HydrophobicContact CG2-CZ 3.61Å; L731-F741 HydrophobicContact CB-CD1 3.6Å; L731-F741 HydrophobicContact CB-CE1 3.82Å; L731-F741 HydrophobicContact CD2-CB 4.32Å; L731-F741 HydrophobicContact CD2-CD1 3.95Å; L731-F741 HydrophobicContact CG-CD1 4.42Å; F741-V743 HydrophobicContact CD2-CG2 4.08Å; F741-V743 HydrophobicContact CE2-CG2 4.1Å; F741-S761 CarbonylContact O-C 3.53Å; F741-S761 VanDerWaalsContact O-CA 3.26Å; F741-S761 WeakPolarHBondContact O-CA 3.43Å; F741-S762 PolarHBondContact N-OG 2.79Å; F741-S762 PolarHBondContact O-N 3.09Å; F741-L772 HydrophobicContact CE2-CB 3.58Å; F741-L772 HydrophobicContact CE2-CD2 4.08Å; F741-L772 HydrophobicContact CE2-CG 4.49Å; F741-L772 HydrophobicContact CZ-CB 3.52Å; F741-I784 HydrophobicContact CB-CD1 4.18Å; F741-I784 HydrophobicContact CB-CG1 4.13Å; F741-I784 HydrophobicContact CD2-CD1 3.34Å; F741-I784 HydrophobicContact CD2-CG1 3.95Å; F741-I784 HydrophobicContact CE2-CD1 3.74Å; F741-I784 HydrophobicContact CG-CD1 3.83Å; F741-I784 HydrophobicContact CG-CG1 4.3Å; F741-I785 WeakPolarHBondContact CA-O 3.38Å; F741-P786 HydrophobicContact CB-CB 4.48Å
742E96.6Very high90.9Very high28 Ų2850 Ų5013%0.13129%0.285CS..EExtended strand (participates in β ladder)trans-112.3141.2169.2-60.4-167.5119.300110.3H711 R759 K760 I784 I785H711-E742 IonicContact NE2-OE2 3.97Å; E742-R759 WeakPolarHBondContact OE1-CD 3.49Å; E742-R759 IonicContact OE1-CZ 3.26Å; E742-R759 IonicContact OE1-NE 2.63Å; E742-R759 IonicContact OE1-NH1 2.79Å; E742-R759 PolarHBondContact OE1-NH1 2.82Å; E742-R759 IonicContact OE2-CZ 3.22Å; E742-R759 IonicContact OE2-NH1 2.82Å; E742-R759 PolarHBondContact OE2-NH1 3.27Å; E742-R759 IonicContact OE2-NH2 2.76Å; E742-K760 CarbonylContact C-O 3.57Å; E742-K760 WeakPolarHBondContact CA-O 3.37Å; E742-I784 CarbonylContact O-C 3.58Å; E742-I784 VanDerWaalsContact O-CA 3.27Å; E742-I784 WeakPolarHBondContact O-CA 3.26Å; E742-I785 PolarHBondContact N-O 3.25Å; E742-I785 PolarHBondContact O-N 2.81Å
743V96.9Very high90.1Very high0 Ų049.7 Ų49.70%029%0.294CS..EExtended strand (participates in β ladder)trans-110.2124.7168.1-176.70000107.9F719 I729 F741 F757 R759 K760 L772 F782 N783 I784F719-V743 HydrophobicContact CE1-CG1 4.02Å; F719-V743 HydrophobicContact CZ-CG1 3.86Å; I729-V743 HydrophobicContact CD1-CG2 3.97Å; F741-V743 HydrophobicContact CD2-CG2 4.08Å; F741-V743 HydrophobicContact CE2-CG2 4.1Å; V743-F757 HydrophobicContact CB-CE2 4.36Å; V743-F757 HydrophobicContact CG1-CE2 3.98Å; V743-F757 HydrophobicContact CG1-CZ 4.15Å; V743-R759 CarbonylContact O-C 3.36Å; V743-R759 VanDerWaalsContact O-CA 3.3Å; V743-R759 WeakPolarHBondContact O-CA 3.28Å; V743-K760 PolarHBondContact N-O 2.86Å; V743-K760 PolarHBondContact O-N 3.04Å; V743-L772 HydrophobicContact CG2-CD2 3.92Å; V743-F782 HydrophobicContact CG1-CB 4.11Å; V743-F782 HydrophobicContact CG1-CD1 4.35Å; V743-N783 CarbonylContact C-O 3.44Å; V743-N783 WeakPolarHBondContact CA-O 3.45Å; V743-I784 HydrophobicContact CG2-CB 4.39Å; V743-I784 HydrophobicContact CG2-CD1 4.06Å; V743-I784 HydrophobicContact CG2-CG1 4.26Å
744V95.8Very high89.4Confident32 Ų3254.8 Ų54.819%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-120.5129.4-178.7-178.80000109.1L758 R759 F782 N783V744-L758 WeakPolarHBondContact CA-O 3.3Å; V744-R759 HydrophobicContact CG2-CG 4.3Å; V744-F782 CarbonylContact O-C 3.56Å; V744-F782 WeakPolarHBondContact O-CA 3.48Å; V744-N783 PolarHBondContact N-O 3.35Å; V744-N783 PolarHBondContact O-N 3.24Å
745T95.3Very high88.8Confident23 Ų2358.5 Ų58.514%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-78126.9180-58.30000110.4T748 F757 L758 F782T745-T748 HydrophobicContact CG2-CG2 3.8Å; T745-F757 VanDerWaalsContact CB-O 3.28Å; T745-F757 WeakPolarHBondContact CB-O 3.35Å; T745-F757 PolarHBondContact OG1-O 2.81Å; T745-L758 PolarHBondContact N-O 2.9Å; T745-F782 HydrophobicContact CG2-CD1 4.19Å; T745-F782 HydrophobicContact CG2-CE1 3.9Å; T745-F782 WeakPolarHBondContact OG1-CD1 3.32Å; T745-F782 WeakPolarHBondContact OG1-CE1 3.39Å
746V94.4Very high88.7Confident77 Ų7753.5 Ų53.547%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-94.9-43.8176.6-175.30000110.2I781 N783V746-I781 WeakPolarHBondContact CA-O 3.45Å; V746-I781 HydrophobicContact CB-CB 4.28Å; V746-I781 HydrophobicContact CB-CG2 4.08Å; V746-I781 WeakPolarHBondContact CB-O 3.37Å; V746-I781 HydrophobicContact CG1-CG2 4.5Å; V746-I781 HydrophobicContact CG2-CG2 4.37Å; V746-I781 PolarHBondContact N-O 2.72Å; V746-N783 HydrophobicContact CG2-CB 4.24Å; V746-N783 VanDerWaalsContact CG2-CG 3.5Å; V746-N783 WeakPolarHBondContact CG2-OD1 3.3Å
747S92.5Very high88.7Confident49 Ų4948.8 Ų48.834%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-156.5155.2173.261.40000110.9G780 I781S747-G780 CarbonylContact O-C 3.56Å; S747-G780 WeakPolarHBondContact O-CA 3.42Å; S747-I781 PolarHBondContact N-O 2.89Å; S747-I781 VanDerWaalsContact N-O 3.14Å; S747-I781 PolarHBondContact O-N 2.66Å
748T88.1Confident88.6Confident51 Ų5153.1 Ų53.131%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-126.2153.2169.844.20000109.7T745 P752 P778 S779 F782T745-T748 HydrophobicContact CG2-CG2 3.8Å; T748-P752 HydrophobicContact CG2-CB 4.21Å; T748-P778 HydrophobicContact CG2-CB 4.1Å; T748-S779 WeakPolarHBondContact CA-O 3.45Å; T748-F782 HydrophobicContact CG2-CZ 4.38Å
749V81.8Confident88.5Confident103 Ų10358 Ų5862%0.62435%0.347SS*.SBendtrans-103.1113.6179.2-177.10000108.7S779V749-S779 PolarHBondContact N-O 2.96Å
750G77.3Confident88.4Confident61 Ų6162.8 Ų62.863%0.62937%0.368SS*.SBendtrans84-169.3-173.500000113.1P752G750-P752 WeakPolarHBondContact O-CD 3.09Å
751D75.1Confident88.3Confident146 Ų14665.6 Ų65.678%0.78139%0.388SS*.  trans-74.4119169.7179.90.6000109.2G753D751-G753 PolarHBondContact O-N 2.91Å; D751-G753 PolarHBondContact OD1-N 2.8Å
752P72.9Confident88.2Confident44 Ų4465.9 Ų65.929%0.28639%0.39SS..  trans-76-8.717933.9-37.6000113.5T748 G750 G756 P778T748-P752 HydrophobicContact CG2-CB 4.21Å; G750-P752 WeakPolarHBondContact O-CD 3.09Å; P752-G756 PolarHBondContact O-N 3.46Å; P752-P778 HydrophobicContact CB-CB 4.06Å; P752-P778 HydrophobicContact CB-CG 3.81Å
753G77.7Confident88Confident36 Ų3666.7 Ų66.737%0.37141%0.406SS..G310 helixtrans58-151.5175.100000114D751 H755 G756D751-G753 PolarHBondContact O-N 2.91Å; D751-G753 PolarHBondContact OD1-N 2.8Å; G753-H755 PolarHBondContact O-N 3.01Å; G753-H755 VanDerWaalsContact O-N 3.08Å; G753-G756 PolarHBondContact O-N 2.89Å; G753-G756 VanDerWaalsContact O-N 3.1Å
754P78.7Confident87.9Confident127 Ų12771.7 Ų71.783%0.82543%0.432SS*.G310 helixtrans-69.8-6.4-175.930.8-36.9000114.2
755H80.8Confident87.8Confident98 Ų9872.6 Ų72.645%0.45443%0.433SS..G310 helixtrans-99.2-5.3176.4-55.1-64.2000112.9G753 N776G753-H755 PolarHBondContact O-N 3.01Å; G753-H755 VanDerWaalsContact O-N 3.08Å; H755-N776 WeakPolarHBondContact CB-O 3.39Å; H755-N776 PolarHBondContact CD2-ND2 2.86Å; H755-N776 PolarHBondContact NE2-ND2 3.01Å
756G85.5Confident87.7Confident34 Ų3474.4 Ų74.435%0.35144%0.437SS..  trans-63.5141.8172.700000112.6P752 G753P752-G756 PolarHBondContact O-N 3.46Å; G753-G756 PolarHBondContact O-N 2.89Å; G753-G756 VanDerWaalsContact O-N 3.1Å
757F92.4Very high87.6Confident31 Ų3174.1 Ų74.114%0.13644%0.437CS..  trans-145.3150.1171.860.3-93.9000110.1V743 T745 K760 L774 I777 F782V743-F757 HydrophobicContact CB-CE2 4.36Å; V743-F757 HydrophobicContact CG1-CE2 3.98Å; V743-F757 HydrophobicContact CG1-CZ 4.15Å; T745-F757 VanDerWaalsContact CB-O 3.28Å; T745-F757 WeakPolarHBondContact CB-O 3.35Å; T745-F757 PolarHBondContact OG1-O 2.81Å; F757-K760 HydrophobicContact CB-CG 4.12Å; F757-K760 HydrophobicContact CD1-CG 3.89Å; F757-K760 HydrophobicContact CD2-CB 4.15Å; F757-K760 HydrophobicContact CD2-CG 3.55Å; F757-K760 HydrophobicContact CE1-CG 4.14Å; F757-K760 HydrophobicContact CE2-CB 4.1Å; F757-K760 HydrophobicContact CE2-CG 3.82Å; F757-K760 HydrophobicContact CG-CG 3.58Å; F757-K760 HydrophobicContact CZ-CG 4.11Å; F757-L774 HydrophobicContact CE1-CD1 4.09Å; F757-L774 HydrophobicContact CZ-CD1 4.13Å; F757-I777 HydrophobicContact CE1-CG1 4.38Å; F757-I777 HydrophobicContact CZ-CD1 4.25Å; F757-F782 HydrophobicContact CE2-CD1 4.34Å; F757-F782 HydrophobicContact CE2-CE1 4.4Å; F757-F782 HydrophobicContact CZ-CD1 4.18Å; F757-F782 HydrophobicContact CZ-CE1 4.02Å
758L91.7Very high87.6Confident139 Ų13971.9 Ų71.973%0.72842%0.422SS*.SBendtrans-83.2-38.7168-178.361.5000111.2V744 T745V744-L758 WeakPolarHBondContact CA-O 3.3Å; T745-L758 PolarHBondContact N-O 2.9Å
759R93.1Very high87.9Confident138 Ų13869.6 Ų69.652%0.52141%0.408SS..EExtended strand (participates in β ladder)trans-145.6143.7179.3-178.4178.3-73.3-137.5-6.6111.1E742 V743 V744E742-R759 WeakPolarHBondContact OE1-CD 3.49Å; E742-R759 IonicContact OE1-CZ 3.26Å; E742-R759 IonicContact OE1-NE 2.63Å; E742-R759 IonicContact OE1-NH1 2.79Å; E742-R759 PolarHBondContact OE1-NH1 2.82Å; E742-R759 IonicContact OE2-CZ 3.22Å; E742-R759 IonicContact OE2-NH1 2.82Å; E742-R759 PolarHBondContact OE2-NH1 3.27Å; E742-R759 IonicContact OE2-NH2 2.76Å; V743-R759 CarbonylContact O-C 3.36Å; V743-R759 VanDerWaalsContact O-CA 3.3Å; V743-R759 WeakPolarHBondContact O-CA 3.28Å; V744-R759 HydrophobicContact CG2-CG 4.3Å
760K95.3Very high88.5Confident101 Ų10164.7 Ų64.744%0.43938%0.378SS..EExtended strand (participates in β ladder)trans-133.2158.8165.3-74.4-75.8-177.1174.50109E742 V743 F757 L772E742-K760 CarbonylContact C-O 3.57Å; E742-K760 WeakPolarHBondContact CA-O 3.37Å; V743-K760 PolarHBondContact N-O 2.86Å; V743-K760 PolarHBondContact O-N 3.04Å; F757-K760 HydrophobicContact CB-CG 4.12Å; F757-K760 HydrophobicContact CD1-CG 3.89Å; F757-K760 HydrophobicContact CD2-CB 4.15Å; F757-K760 HydrophobicContact CD2-CG 3.55Å; F757-K760 HydrophobicContact CE1-CG 4.14Å; F757-K760 HydrophobicContact CE2-CB 4.1Å; F757-K760 HydrophobicContact CE2-CG 3.82Å; F757-K760 HydrophobicContact CG-CG 3.58Å; F757-K760 HydrophobicContact CZ-CG 4.11Å; K760-L772 HydrophobicContact CB-CD2 3.95Å
761S94.4Very high89.4Confident58 Ų5864.6 Ų64.641%0.40636%0.359SS..EExtended strand (participates in β ladder)trans-129.9165.5171.3650000111F741 G763F741-S761 CarbonylContact O-C 3.53Å; F741-S761 VanDerWaalsContact O-CA 3.26Å; F741-S761 WeakPolarHBondContact O-CA 3.43Å; S761-G763 PolarHBondContact O-N 3.28Å; S761-G763 VanDerWaalsContact O-N 3.09Å
762S95.3Very high90.4Very high8 Ų858.6 Ų58.66%0.05633%0.327CS..  trans-7216.1173.663.20000114.8G740 F741 Y771G740-S762 WeakPolarHBondContact CA-OG 3.18Å; F741-S762 PolarHBondContact N-OG 2.79Å; F741-S762 PolarHBondContact O-N 3.09Å; S762-Y771 WeakPolarHBondContact CA-O 3.42Å
763G93.9Very high91.4Very high44 Ų4459.4 Ų59.445%0.45433%0.327SS..SBendtrans71-145.6-167.600000112.6S761S761-G763 PolarHBondContact O-N 3.28Å; S761-G763 VanDerWaalsContact O-N 3.09Å
764D93.4Very high92.1Very high105 Ų10558.7 Ų58.756%0.56132%0.315SS*.SBendtrans-64.1151.3-179.8-42-62.1000112.5R766D764-R766 HydrophobicContact CB-CG 4.44Å; D764-R766 PolarHBondContact O-N 2.99Å; D764-R766 IonicContact OD2-CZ 3.68Å; D764-R766 IonicContact OD2-NE 2.67Å; D764-R766 IonicContact OD2-NH2 2.88Å; D764-R766 PolarHBondContact OD2-NH2 2.99Å
765Y94.9Very high92.6Very high51 Ų5159.1 Ų59.120%0.231%0.305CS..  trans-75.1120.7174-77.5-118.3000109.6C704 V739 S787 F789C704-Y765 HydrophobicContact CB-CD1 4.37Å; C704-Y765 HydrophobicContact CB-CE1 3.62Å; C704-Y765 HydrophobicContact CB-CE2 3.97Å; C704-Y765 VanDerWaalsContact CB-CZ 3.4Å; C704-Y765 WeakPolarHBondContact CB-OH 3.42Å; V739-Y765 WeakPolarHBondContact O-CA 3.43Å; Y765-S787 PolarHBondContact OH-OG 3.03Å; Y765-F789 HydrophobicContact CD1-CB 3.84Å; Y765-F789 HydrophobicContact CD1-CD2 4.16Å; Y765-F789 HydrophobicContact CD2-CD2 4.28Å; Y765-F789 HydrophobicContact CG-CB 4.2Å; Y765-F789 AromaticContact CG-CD2 3.85Å; Y765-F789 HydrophobicContact CG-CD2 3.85Å
766R93.6Very high92.9Very high62 Ų6257.1 Ų57.123%0.23430%0.298CS..EExtended strand (participates in β ladder)trans-126.1147.5-169.6-71.4171.3-173.8-140.3-0.3111.9D623 S738 V739 D764 G768 F769D623-R766 IonicContact OD2-CZ 3.95Å; D623-R766 IonicContact OD2-NH1 3.67Å; D623-R766 PolarHBondContact OD2-NH1 2.93Å; D623-R766 IonicContact OD2-NH2 3.71Å; D623-R766 PolarHBondContact OD2-NH2 2.88Å; S738-R766 WeakPolarHBondContact CA-O 3.02Å; V739-R766 WeakPolarHBondContact CG2-O 3.42Å; V739-R766 PolarHBondContact N-O 3.13Å; V739-R766 PolarHBondContact O-N 2.89Å; V739-R766 VanDerWaalsContact O-N 3.09Å; D764-R766 HydrophobicContact CB-CG 4.44Å; D764-R766 PolarHBondContact O-N 2.99Å; D764-R766 IonicContact OD2-CZ 3.68Å; D764-R766 IonicContact OD2-NE 2.67Å; D764-R766 IonicContact OD2-NH2 2.88Å; D764-R766 PolarHBondContact OD2-NH2 2.99Å; R766-G768 PolarHBondContact O-N 2.97Å; R766-G768 VanDerWaalsContact O-N 3.13Å; R766-F769 WeakPolarHBondContact CB-O 3.18Å
767C91.9Very high93.2Very high70 Ų7055.6 Ų55.647%0.47328%0.282SS..EExtended strand (participates in β ladder)trans-63.8111.5-167.6-61.60000112.5Y737 F769Y737-C767 WeakPolarHBondContact O-CA 3.45Å; C767-F769 PolarHBondContact O-N 3.09Å
768G91.6Very high93.2Very high2 Ų254.4 Ų54.42%0.02128%0.277CS..SBendtrans66.3-7.9176.200000117.4R732 G733 Y737 R766R732-G768 WeakPolarHBondContact CA-O 3.46Å; G733-G768 PolarHBondContact N-O 2.62Å; G733-G768 WeakPolarHBondContact O-CA 3.43Å; Y737-G768 PolarHBondContact O-N 2.88Å; R766-G768 PolarHBondContact O-N 2.97Å; R766-G768 VanDerWaalsContact O-N 3.13Å
769F94.6Very high93.2Very high3 Ų348.8 Ų48.81%0.01325%0.25CC..EExtended strand (participates in β ladder)trans-152.3134.3179.3178.2-116.3000112.6Y564 S565 A567 Y619 Y620 E730 L731 R732 R766 C767 Y771Y564-F769 HydrophobicContact CD2-CB 3.69Å; Y564-F769 HydrophobicContact CE2-CB 4.09Å; S565-F769 VanDerWaalsContact CB-CD1 3.48Å; S565-F769 WeakPolarHBondContact OG-CD1 3.37Å; S565-F769 WeakPolarHBondContact OG-CE1 3.31Å; A567-F769 HydrophobicContact CB-CE1 4.35Å; A567-F769 HydrophobicContact CB-CZ 3.89Å; Y619-F769 HydrophobicContact CD1-CZ 4.39Å; Y620-F769 HydrophobicContact CD1-CD1 4.09Å; Y620-F769 HydrophobicContact CD1-CE1 4.23Å; Y620-F769 AromaticContact CE1-CD1 3.75Å; Y620-F769 HydrophobicContact CE1-CD1 3.75Å; Y620-F769 AromaticContact CE1-CE1 3.92Å; Y620-F769 HydrophobicContact CE1-CE1 3.92Å; E730-F769 HydrophobicContact CB-CE2 4.09Å; E730-F769 HydrophobicContact CG-CE2 4.15Å; E730-F769 HydrophobicContact CG-CZ 4.49Å; E730-F769 VanDerWaalsContact OE1-CE2 3.24Å; E730-F769 WeakPolarHBondContact OE1-CE2 3.4Å; E730-F769 WeakPolarHBondContact OE1-CZ 3.42Å; L731-F769 WeakPolarHBondContact O-CA 3.42Å; R732-F769 HydrophobicContact CG-CD2 3.79Å; R732-F769 HydrophobicContact CG-CE2 4.3Å; R766-F769 WeakPolarHBondContact CB-O 3.18Å; C767-F769 PolarHBondContact O-N 3.09Å; F769-Y771 HydrophobicContact CE1-CD1 4.49Å
770C95.7Very high93.2Very high0 Ų042.2 Ų42.20%023%0.225CC..EExtended strand (participates in β ladder)trans-149.5165.3162.561.30000110.7Y620 L731 V739Y620-C770 WeakPolarHBondContact OH-CA 3.25Å; L731-C770 PolarHBondContact N-O 3.4Å; L731-C770 PolarHBondContact O-N 3.06Å; V739-C770 PolarHBondContact O-SG 2.78Å
771Y95.9Very high93.2Very high59 Ų5939.7 Ų39.723%0.23122%0.216CC..EExtended strand (participates in β ladder)trans-143.2166.1-179.779-76000112.2Y619 Y620 L728 I729 S762 F769 E773Y619-Y771 HydrophobicContact CD1-CD1 4.18Å; Y619-Y771 HydrophobicContact CD1-CD2 4.14Å; Y619-Y771 HydrophobicContact CD1-CE1 4.38Å; Y619-Y771 HydrophobicContact CD1-CE2 4.33Å; Y619-Y771 HydrophobicContact CD1-CG 4.07Å; Y619-Y771 HydrophobicContact CD2-CD1 4.46Å; Y619-Y771 HydrophobicContact CD2-CD2 4.07Å; Y619-Y771 AromaticContact CD2-CE1 3.9Å; Y619-Y771 HydrophobicContact CD2-CE1 3.9Å; Y619-Y771 AromaticContact CD2-CE2 3.44Å; Y619-Y771 HydrophobicContact CD2-CE2 3.44Å; Y619-Y771 VanDerWaalsContact CD2-CE2 3.44Å; Y619-Y771 AromaticContact CD2-CZ 3.35Å; Y619-Y771 HydrophobicContact CE1-CD2 4.26Å; Y619-Y771 HydrophobicContact CE2-CD2 4.16Å; Y619-Y771 AromaticContact CE2-CE2 3.65Å; Y619-Y771 HydrophobicContact CE2-CE2 3.65Å; Y619-Y771 AromaticContact CG-CD1 3.86Å; Y619-Y771 HydrophobicContact CG-CD1 3.86Å; Y619-Y771 HydrophobicContact CG-CD2 4.06Å; Y619-Y771 AromaticContact CG-CE1 3.62Å; Y619-Y771 HydrophobicContact CG-CE1 3.62Å; Y619-Y771 AromaticContact CG-CE2 3.81Å; Y619-Y771 HydrophobicContact CG-CE2 3.81Å; Y619-Y771 HydrophobicContact CG-CG 4.09Å; Y619-Y771 AromaticContact CG-CZ 3.59Å; Y620-Y771 HydrophobicContact CD2-CE1 4.07Å; Y620-Y771 HydrophobicContact CE1-CD1 4.22Å; Y620-Y771 HydrophobicContact CE1-CE1 4.41Å; Y620-Y771 AromaticContact CE2-CD1 3.96Å; Y620-Y771 HydrophobicContact CE2-CD1 3.96Å; Y620-Y771 AromaticContact CE2-CE1 3.46Å; Y620-Y771 HydrophobicContact CE2-CE1 3.46Å; Y620-Y771 VanDerWaalsContact CE2-CE1 3.46Å; Y620-Y771 AromaticContact CZ-CD1 3.62Å; Y620-Y771 AromaticContact CZ-CE1 3.64Å; Y620-Y771 WeakPolarHBondContact OH-CD1 3.42Å; Y620-Y771 PolarHBondContact OH-N 2.78Å; L728-Y771 HydrophobicContact CD1-CD2 3.74Å; L728-Y771 HydrophobicContact CD1-CG 4.37Å; I729-Y771 CarbonylContact O-C 3.47Å; I729-Y771 WeakPolarHBondContact O-CA 3.36Å; I729-Y771 WeakPolarHBondContact O-CB 3.41Å; S762-Y771 WeakPolarHBondContact CA-O 3.42Å; F769-Y771 HydrophobicContact CE1-CD1 4.49Å; Y771-E773 HydrophobicContact CD2-CB 4.13Å; Y771-E773 HydrophobicContact CE2-CB 3.92Å
772L96Very high93.3Very high21 Ų2137 Ų3711%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-138.7118.9167.1176.559.4000108.1I729 F741 V743 K760 L774I729-L772 PolarHBondContact N-O 2.84Å; I729-L772 PolarHBondContact O-N 2.83Å; F741-L772 HydrophobicContact CE2-CB 3.58Å; F741-L772 HydrophobicContact CE2-CD2 4.08Å; F741-L772 HydrophobicContact CE2-CG 4.49Å; F741-L772 HydrophobicContact CZ-CB 3.52Å; V743-L772 HydrophobicContact CG2-CD2 3.92Å; K760-L772 HydrophobicContact CB-CD2 3.95Å; L772-L774 HydrophobicContact CD1-CD2 4.06Å; L772-L774 HydrophobicContact CD1-CG 4.49Å; L772-L774 HydrophobicContact CD2-CD1 4.33Å; L772-L774 HydrophobicContact CD2-CD2 4.4Å; L772-L774 HydrophobicContact CD2-CG 4.39Å; L772-L774 HydrophobicContact CG-CD2 4.18Å; L772-L774 HydrophobicContact CG-CG 4.1Å
773E93.4Very high93.5Very high61 Ų6138.3 Ų38.329%0.28520%0.203SC..EExtended strand (participates in β ladder)trans-104.4126.5174.6-170.4162.5-102.300109.4Y619 Y686 L728 Y771Y619-E773 PolarHBondContact OH-OE1 2.7Å; Y686-E773 WeakPolarHBondContact OH-CG 3.41Å; Y686-E773 PolarHBondContact OH-OE1 3.26Å; L728-E773 HydrophobicContact CD1-CB 4.26Å; Y771-E773 HydrophobicContact CD2-CB 4.13Å; Y771-E773 HydrophobicContact CE2-CB 3.92Å
774L92Very high93.6Very high21 Ų2136.2 Ų36.211%0.1118%0.182CC..EExtended strand (participates in β ladder)trans-122.7107.4178.8-61.3174.9000107.7P726 L727 F757 L772 N776 I777P726-L774 WeakPolarHBondContact CA-O 3.41Å; L727-L774 PolarHBondContact N-O 2.89Å; L727-L774 PolarHBondContact O-N 2.83Å; F757-L774 HydrophobicContact CE1-CD1 4.09Å; F757-L774 HydrophobicContact CZ-CD1 4.13Å; L772-L774 HydrophobicContact CD1-CD2 4.06Å; L772-L774 HydrophobicContact CD1-CG 4.49Å; L772-L774 HydrophobicContact CD2-CD1 4.33Å; L772-L774 HydrophobicContact CD2-CD2 4.4Å; L772-L774 HydrophobicContact CD2-CG 4.39Å; L772-L774 HydrophobicContact CG-CD2 4.18Å; L772-L774 HydrophobicContact CG-CG 4.1Å; L774-N776 PolarHBondContact O-N 2.94Å; L774-I777 HydrophobicContact CB-CB 4.41Å; L774-I777 HydrophobicContact CD1-CB 4.15Å; L774-I777 HydrophobicContact CD1-CD1 3.93Å; L774-I777 HydrophobicContact CD1-CG1 4.33Å
775E88.4Confident93.8Very high135 Ų13532.6 Ų32.663%0.63116%0.162SC*.EExtended strand (participates in β ladder)trans-60.7-27.2179.7-63.3-179167.700112.2K616 P726K616-E775 IonicContact NZ-OE1 2.79Å; K616-E775 PolarHBondContact NZ-OE1 2.87Å; P726-E775 WeakPolarHBondContact CA-O 3.44Å; P726-E775 WeakPolarHBondContact CB-O 3.42Å
776N88.7Confident94Very high56 Ų5630.1 Ų30.130%0.29915%0.152SC..EExtended strand (participates in β ladder)trans-15492.8-179.4-157.920.5000110.9T724 G725 H755 L774T724-N776 WeakPolarHBondContact CG2-OD1 3.4Å; G725-N776 WeakPolarHBondContact O-CA 3.35Å; H755-N776 WeakPolarHBondContact CB-O 3.39Å; H755-N776 PolarHBondContact CD2-ND2 2.86Å; H755-N776 PolarHBondContact NE2-ND2 3.01Å; L774-N776 PolarHBondContact O-N 2.94Å
777I91.4Very high94.2Very high2 Ų227.2 Ų27.21%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-87.5133.2171.2-175.6167.8000109.8F719 I721 T724 G725 L727 F757 L774 F782F719-I777 HydrophobicContact CE2-CD1 4.09Å; F719-I777 HydrophobicContact CZ-CD1 4.35Å; I721-I777 HydrophobicContact CD1-CG2 4.47Å; I721-I777 HydrophobicContact CG1-CD1 4.19Å; I721-I777 HydrophobicContact CG1-CG1 4.5Å; I721-I777 HydrophobicContact CG1-CG2 4.19Å; I721-I777 HydrophobicContact CG2-CG2 4.27Å; T724-I777 VanDerWaalsContact CA-O 3.28Å; T724-I777 WeakPolarHBondContact CA-O 3.28Å; G725-I777 PolarHBondContact N-O 3.09Å; G725-I777 VanDerWaalsContact O-CG2 3.31Å; G725-I777 WeakPolarHBondContact O-CG2 3.44Å; G725-I777 PolarHBondContact O-N 3.43Å; L727-I777 HydrophobicContact CB-CG2 3.61Å; L727-I777 HydrophobicContact CD2-CD1 3.77Å; L727-I777 HydrophobicContact CD2-CG2 3.98Å; L727-I777 HydrophobicContact CG-CG2 4.46Å; F757-I777 HydrophobicContact CE1-CG1 4.38Å; F757-I777 HydrophobicContact CZ-CD1 4.25Å; L774-I777 HydrophobicContact CB-CB 4.41Å; L774-I777 HydrophobicContact CD1-CB 4.15Å; L774-I777 HydrophobicContact CD1-CD1 3.93Å; L774-I777 HydrophobicContact CD1-CG1 4.33Å; I777-F782 HydrophobicContact CD1-CD1 4.19Å; I777-F782 HydrophobicContact CD1-CD2 4Å; I777-F782 HydrophobicContact CD1-CE1 3.96Å; I777-F782 HydrophobicContact CD1-CE2 3.76Å; I777-F782 HydrophobicContact CD1-CG 4.22Å; I777-F782 HydrophobicContact CD1-CZ 3.75Å; I777-F782 HydrophobicContact CG1-CE1 4.12Å; I777-F782 HydrophobicContact CG1-CE2 3.93Å; I777-F782 HydrophobicContact CG1-CZ 3.63Å
778P92Very high94.4Very high6 Ų623.9 Ų23.94%0.03912%0.118CC..PPolyproline II helixtrans-63.2154.8177.2-23.434.1000113.7T748 P752 G780 F782T748-P778 HydrophobicContact CG2-CB 4.1Å; P752-P778 HydrophobicContact CB-CB 4.06Å; P752-P778 HydrophobicContact CB-CG 3.81Å; P778-G780 PolarHBondContact O-N 2.83Å; P778-F782 WeakPolarHBondContact O-CE2 3.42Å; P778-F782 WeakPolarHBondContact O-CZ 3.44Å
779S91.9Very high94.7Very high21 Ų2128 Ų2815%0.14714%0.136CC..SBendtrans-61.7128.4165.2420000111.3I721 T724 T748 V749I721-S779 CarbonylContact O-C 3.51Å; I721-S779 VanDerWaalsContact O-CA 3.24Å; I721-S779 WeakPolarHBondContact O-CA 3.45Å; T724-S779 PolarHBondContact OG1-N 3.01Å; T724-S779 PolarHBondContact OG1-OG 3.45Å; T748-S779 WeakPolarHBondContact CA-O 3.45Å; V749-S779 PolarHBondContact N-O 2.96Å
780G93.6Very high94.8Very high0 Ų031.6 Ų31.60%016%0.155CC..EExtended strand (participates in β ladder)trans164.6-177.2-170.500000114.7H720 I721 S747 P778H720-G780 PolarHBondContact CD2-O 3.1Å; I721-G780 PolarHBondContact N-O 2.96Å; I721-G780 PolarHBondContact O-N 3.14Å; S747-G780 CarbonylContact O-C 3.56Å; S747-G780 WeakPolarHBondContact O-CA 3.42Å; P778-G780 PolarHBondContact O-N 2.83Å
781I95.5Very high94.8Very high49 Ų4933.1 Ų33.125%0.25117%0.165SC..EExtended strand (participates in β ladder)trans-110.9130.7178.2-56.8177.5000108.6Q718 V746 S747Q718-I781 HydrophobicContact CG-CG2 3.49Å; Q718-I781 VanDerWaalsContact CG-CG2 3.49Å; V746-I781 WeakPolarHBondContact CA-O 3.45Å; V746-I781 HydrophobicContact CB-CB 4.28Å; V746-I781 HydrophobicContact CB-CG2 4.08Å; V746-I781 WeakPolarHBondContact CB-O 3.37Å; V746-I781 HydrophobicContact CG1-CG2 4.5Å; V746-I781 HydrophobicContact CG2-CG2 4.37Å; V746-I781 PolarHBondContact N-O 2.72Å; S747-I781 PolarHBondContact N-O 2.89Å; S747-I781 VanDerWaalsContact N-O 3.14Å; S747-I781 PolarHBondContact O-N 2.66Å
782F96.7Very high94.8Very high1 Ų139 Ų390%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-133142.3-175.3-56.1-91.7000110Q718 F719 I721 V743 V744 T745 T748 F757 I777 P778Q718-F782 CarbonylContact C-O 3.4Å; Q718-F782 WeakPolarHBondContact CA-O 3.27Å; F719-F782 HydrophobicContact CD1-CB 4.04Å; F719-F782 WeakPolarHBondContact CD1-O 3.37Å; F719-F782 HydrophobicContact CD2-CB 4.3Å; F719-F782 HydrophobicContact CD2-CD2 4.39Å; F719-F782 HydrophobicContact CE1-CB 3.56Å; F719-F782 HydrophobicContact CE2-CB 3.84Å; F719-F782 AromaticContact CE2-CD2 3.93Å; F719-F782 HydrophobicContact CE2-CD2 3.93Å; F719-F782 HydrophobicContact CE2-CG 4.11Å; F719-F782 HydrophobicContact CG-CB 4.4Å; F719-F782 HydrophobicContact CZ-CB 3.46Å; F719-F782 VanDerWaalsContact CZ-CB 3.46Å; F719-F782 HydrophobicContact CZ-CD2 4.32Å; F719-F782 HydrophobicContact CZ-CG 4.02Å; F719-F782 PolarHBondContact N-O 2.85Å; F719-F782 PolarHBondContact O-N 2.86Å; I721-F782 HydrophobicContact CB-CE2 4.19Å; I721-F782 HydrophobicContact CG1-CD2 4.06Å; I721-F782 HydrophobicContact CG1-CE2 3.9Å; V743-F782 HydrophobicContact CG1-CB 4.11Å; V743-F782 HydrophobicContact CG1-CD1 4.35Å; V744-F782 CarbonylContact O-C 3.56Å; V744-F782 WeakPolarHBondContact O-CA 3.48Å; T745-F782 HydrophobicContact CG2-CD1 4.19Å; T745-F782 HydrophobicContact CG2-CE1 3.9Å; T745-F782 WeakPolarHBondContact OG1-CD1 3.32Å; T745-F782 WeakPolarHBondContact OG1-CE1 3.39Å; T748-F782 HydrophobicContact CG2-CZ 4.38Å; F757-F782 HydrophobicContact CE2-CD1 4.34Å; F757-F782 HydrophobicContact CE2-CE1 4.4Å; F757-F782 HydrophobicContact CZ-CD1 4.18Å; F757-F782 HydrophobicContact CZ-CE1 4.02Å; I777-F782 HydrophobicContact CD1-CD1 4.19Å; I777-F782 HydrophobicContact CD1-CD2 4Å; I777-F782 HydrophobicContact CD1-CE1 3.96Å; I777-F782 HydrophobicContact CD1-CE2 3.76Å; I777-F782 HydrophobicContact CD1-CG 4.22Å; I777-F782 HydrophobicContact CD1-CZ 3.75Å; I777-F782 HydrophobicContact CG1-CE1 4.12Å; I777-F782 HydrophobicContact CG1-CE2 3.93Å; I777-F782 HydrophobicContact CG1-CZ 3.63Å; P778-F782 WeakPolarHBondContact O-CE2 3.42Å; P778-F782 WeakPolarHBondContact O-CZ 3.44Å
783N97.4Very high94.8Very high36 Ų3639.6 Ų39.619%0.19319%0.194CC..EExtended strand (participates in β ladder)trans-101.9140.7169.3-70.7-7.1000109.1V716 Y717 Q718 V743 V744 V746V716-N783 HydrophobicContact CG1-CB 4.07Å; Y717-N783 CarbonylContact O-C 3.46Å; Y717-N783 WeakPolarHBondContact O-CA 3.36Å; Q718-N783 WeakPolarHBondContact CB-OD1 3.33Å; Q718-N783 WeakPolarHBondContact CG-OD1 3.47Å; Q718-N783 PolarHBondContact NE2-OD1 3.11Å; V743-N783 CarbonylContact C-O 3.44Å; V743-N783 WeakPolarHBondContact CA-O 3.45Å; V744-N783 PolarHBondContact N-O 3.35Å; V744-N783 PolarHBondContact O-N 3.24Å; V746-N783 HydrophobicContact CG2-CB 4.24Å; V746-N783 VanDerWaalsContact CG2-CG 3.5Å; V746-N783 WeakPolarHBondContact CG2-OD1 3.3Å
784I97.6Very high95Very high0 Ų041.2 Ų41.20%020%0.201CC..EExtended strand (participates in β ladder)trans-119.8136.2170.6-180163.5000110.9Y717 F719 I729 F741 E742 V743 P786 L799 F801Y717-I784 PolarHBondContact N-O 2.85Å; Y717-I784 WeakPolarHBondContact O-CG2 3.35Å; Y717-I784 PolarHBondContact O-N 3.26Å; F719-I784 HydrophobicContact CD1-CB 4.49Å; F719-I784 HydrophobicContact CD1-CG2 4.06Å; F719-I784 HydrophobicContact CE1-CB 4.12Å; F719-I784 HydrophobicContact CE1-CG2 4.17Å; I729-I784 HydrophobicContact CD1-CD1 4.02Å; I729-I784 HydrophobicContact CG2-CD1 3.73Å; F741-I784 HydrophobicContact CB-CD1 4.18Å; F741-I784 HydrophobicContact CB-CG1 4.13Å; F741-I784 HydrophobicContact CD2-CD1 3.34Å; F741-I784 HydrophobicContact CD2-CG1 3.95Å; F741-I784 HydrophobicContact CE2-CD1 3.74Å; F741-I784 HydrophobicContact CG-CD1 3.83Å; F741-I784 HydrophobicContact CG-CG1 4.3Å; E742-I784 CarbonylContact O-C 3.58Å; E742-I784 VanDerWaalsContact O-CA 3.27Å; E742-I784 WeakPolarHBondContact O-CA 3.26Å; V743-I784 HydrophobicContact CG2-CB 4.39Å; V743-I784 HydrophobicContact CG2-CD1 4.06Å; V743-I784 HydrophobicContact CG2-CG1 4.26Å; I784-P786 WeakPolarHBondContact O-CD 3.24Å; I784-L799 HydrophobicContact CD1-CD1 3.91Å; I784-L799 HydrophobicContact CD1-CD2 4.1Å; I784-L799 HydrophobicContact CG1-CD2 4.46Å; I784-L799 HydrophobicContact CG2-CD2 3.98Å; I784-F801 HydrophobicContact CG2-CZ 3.94Å
785I97.6Very high95.2Very high28 Ų2840.9 Ų40.914%0.14420%0.203CC..EExtended strand (participates in β ladder)trans-120.487.8-175.8-47.6-179.4000108.7N714 V716 F741 E742N714-I785 HydrophobicContact CB-CG2 3.79Å; V716-I785 HydrophobicContact CG2-CG1 4.26Å; F741-I785 WeakPolarHBondContact CA-O 3.38Å; E742-I785 PolarHBondContact N-O 3.25Å; E742-I785 PolarHBondContact O-N 2.81Å
786P97.8Very high95.6Very high0 Ų038.7 Ų38.70%020%0.201CC..EExtended strand (participates in β ladder)trans-72.3131.7172.729.8-34.6000111.1W696 P715 Y717 L731 F741 I784 F797W696-P786 HydrophobicContact CZ2-CB 4.19Å; W696-P786 PolarHBondContact NE1-O 3.42Å; P715-P786 WeakPolarHBondContact O-CD 3.28Å; Y717-P786 HydrophobicContact CD2-CG 4.15Å; Y717-P786 HydrophobicContact CE2-CG 3.91Å; L731-P786 HydrophobicContact CD1-CB 3.96Å; L731-P786 HydrophobicContact CD2-CB 3.93Å; F741-P786 HydrophobicContact CB-CB 4.48Å; I784-P786 WeakPolarHBondContact O-CD 3.24Å; P786-F797 HydrophobicContact CB-CE2 4.1Å; P786-F797 HydrophobicContact CB-CZ 4.16Å; P786-F797 HydrophobicContact CG-CE1 4.37Å; P786-F797 HydrophobicContact CG-CE2 3.69Å; P786-F797 HydrophobicContact CG-CZ 3.55Å
787S97.7Very high96Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-147.4156.7-177.656.90000113.3N714 G740 Y765N714-S787 WeakPolarHBondContact OD1-CB 3.12Å; G740-S787 PolarHBondContact N-O 3.21Å; G740-S787 PolarHBondContact O-N 3.44Å; Y765-S787 PolarHBondContact OH-OG 3.03Å
788T97.8Very high96.2Very high0 Ų040.1 Ų40.10%021%0.205CC..EExtended strand (participates in β ladder)trans-82.8160.8167.653.20000110.6W696 G703 C704 Y737 S738 L790 Q793W696-T788 HydrophobicContact CD2-CG2 3.77Å; W696-T788 HydrophobicContact CE3-CG2 3.59Å; W696-T788 HydrophobicContact CG-CG2 4.34Å; W696-T788 HydrophobicContact CH2-CG2 4.29Å; W696-T788 HydrophobicContact CZ2-CG2 4.44Å; W696-T788 HydrophobicContact CZ3-CG2 3.87Å; G703-T788 CarbonylContact C-O 3.58Å; G703-T788 VanDerWaalsContact CA-O 3.26Å; G703-T788 WeakPolarHBondContact CA-O 3.48Å; C704-T788 PolarHBondContact N-O 3.31Å; Y737-T788 HydrophobicContact CD2-CG2 4.45Å; S738-T788 CarbonylContact O-C 3.6Å; T788-L790 PolarHBondContact OG1-O 3.19Å; T788-Q793 HydrophobicContact CG2-CB 3.79Å
789F96.9Very high96.5Very high90 Ų9039.9 Ų39.940%0.39520%0.203SC..SBendtrans-66.4-44.2178.3-175-108.7000112.1C704 F707 S738 Y765C704-F789 HydrophobicContact CB-CD2 4.33Å; C704-F789 PolarHBondContact N-O 3.25Å; C704-F789 PolarHBondContact SG-O 3.02Å; F707-F789 WeakPolarHBondContact CE2-O 3.3Å; S738-F789 PolarHBondContact O-N 3.43Å; Y765-F789 HydrophobicContact CD1-CB 3.84Å; Y765-F789 HydrophobicContact CD1-CD2 4.16Å; Y765-F789 HydrophobicContact CD2-CD2 4.28Å; Y765-F789 HydrophobicContact CG-CB 4.2Å; Y765-F789 AromaticContact CG-CD2 3.85Å; Y765-F789 HydrophobicContact CG-CD2 3.85Å
790L97Very high96.6Very high77 Ų7739 Ų3940%0.40320%0.196SC..SBendtrans-103.7148.1176.1-56.2179000111.1F707 T788 Q793F707-L790 HydrophobicContact CE2-CD2 4.13Å; F707-L790 HydrophobicContact CZ-CD2 3.88Å; T788-L790 PolarHBondContact OG1-O 3.19Å; L790-Q793 HydrophobicContact CB-CG 4.19Å; L790-Q793 PolarHBondContact O-OE1 3.39Å
791P96.1Very high96.8Very high32 Ų3239 Ų3921%0.20820%0.196CC..THydrogen-bonded Turntrans-62.3162.6168.9-18.630.9000112.1A701 F707 Q793A701-P791 CarbonylContact O-C 3.55Å; A701-P791 VanDerWaalsContact O-CA 3.29Å; A701-P791 WeakPolarHBondContact O-CA 3.48Å; F707-P791 HydrophobicContact CB-CG 3.84Å; F707-P791 HydrophobicContact CD1-CG 3.65Å; F707-P791 HydrophobicContact CD2-CG 3.92Å; F707-P791 HydrophobicContact CE1-CG 4.16Å; F707-P791 HydrophobicContact CE2-CG 4.4Å; F707-P791 HydrophobicContact CG-CG 3.51Å; P791-Q793 PolarHBondContact O-N 3.49Å; P791-Q793 VanDerWaalsContact O-N 3.17Å
792K95.3Very high96.7Very high182 Ų18237.6 Ų37.679%0.79119%0.19SC*.THydrogen-bonded Turntrans6213179.5-49.5177.7-176.3177.10115.1A701 E794A701-K792 PolarHBondContact O-N 3.3Å; K792-E794 PolarHBondContact O-N 2.83Å
793Q96.8Very high96.6Very high35 Ų3538 Ų3816%0.16419%0.192CC..  trans-84.1100.1168.9-68.5-175.6-35.700108.8Y737 T788 L790 P791Y737-Q793 HydrophobicContact CD1-CB 3.76Å; Y737-Q793 VanDerWaalsContact CD1-CD 3.43Å; Y737-Q793 HydrophobicContact CD1-CG 3.7Å; Y737-Q793 HydrophobicContact CD2-CB 4.19Å; Y737-Q793 HydrophobicContact CE1-CB 3.83Å; Y737-Q793 HydrophobicContact CE1-CG 3.8Å; Y737-Q793 HydrophobicContact CE2-CB 4.28Å; Y737-Q793 HydrophobicContact CG-CB 3.97Å; Y737-Q793 HydrophobicContact CG-CG 4.35Å; T788-Q793 HydrophobicContact CG2-CB 3.79Å; L790-Q793 HydrophobicContact CB-CG 4.19Å; L790-Q793 PolarHBondContact O-OE1 3.39Å; P791-Q793 PolarHBondContact O-N 3.49Å; P791-Q793 VanDerWaalsContact O-N 3.17Å
794E96.7Very high96.4Very high94 Ų9439.6 Ų39.644%0.43920%0.2SC..  trans-96.9141.2-174.1-61-161.9-165.200113W696 S697 G698 A701 Y737 K792W696-E794 CarbonylContact O-C 3.48Å; W696-E794 VanDerWaalsContact O-CA 3.31Å; W696-E794 WeakPolarHBondContact O-CA 3.15Å; W696-E794 WeakPolarHBondContact O-CB 3.33Å; S697-E794 VanDerWaalsContact CA-OE2 3.29Å; S697-E794 WeakPolarHBondContact CA-OE2 3.37Å; G698-E794 WeakPolarHBondContact CA-OE1 3.43Å; G698-E794 PolarHBondContact N-OE1 2.86Å; G698-E794 PolarHBondContact N-OE2 3.27Å; A701-E794 HydrophobicContact CB-CG 4.02Å; Y737-E794 WeakPolarHBondContact CE2-O 3.48Å; Y737-E794 PolarHBondContact OH-O 3.15Å; K792-E794 PolarHBondContact O-N 2.83Å
795G96Very high95.8Very high15 Ų1541.3 Ų41.316%0.15521%0.209CC..EExtended strand (participates in β ladder)trans166.4167.2176.100000114.4K695 W696K695-G795 CarbonylContact C-O 3.15Å; K695-G795 VanDerWaalsContact CA-O 3.3Å; K695-G795 WeakPolarHBondContact CA-O 3.31Å; W696-G795 PolarHBondContact N-O 3.16Å; W696-G795 PolarHBondContact O-N 2.83Å
796P97.3Very high95.4Very high89 Ų8944.3 Ų44.358%0.57823%0.23SC*.EExtended strand (participates in β ladder)trans-74.4152.9175.132.8-35.4000111.6G694 P734G694-P796 WeakPolarHBondContact O-CA 3.5Å; P734-P796 WeakPolarHBondContact CD-O 3.41Å
797F96.9Very high95.1Very high1 Ų144.8 Ų44.80%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-139.7157.4169.462.4-99.6000112.2G694 K695 W696 P715 Y717 L731 R732 P786 L799G694-F797 PolarHBondContact N-O 3.14Å; G694-F797 PolarHBondContact O-N 3.09Å; K695-F797 VanDerWaalsContact C-CE1 3.47Å; K695-F797 VanDerWaalsContact N-CE1 3.3Å; W696-F797 AromaticContact CD2-CD1 3.56Å; W696-F797 HydrophobicContact CD2-CD1 3.56Å; W696-F797 AromaticContact CD2-CE1 3.87Å; W696-F797 HydrophobicContact CD2-CE1 3.87Å; W696-F797 AromaticContact CE2-CD1 3.46Å; W696-F797 VanDerWaalsContact CE2-CD1 3.46Å; W696-F797 AromaticContact CE2-CE1 3.58Å; W696-F797 HydrophobicContact CE3-CB 4.48Å; W696-F797 AromaticContact CE3-CD1 3.7Å; W696-F797 HydrophobicContact CE3-CD1 3.7Å; W696-F797 HydrophobicContact CE3-CE1 4.46Å; W696-F797 HydrophobicContact CG-CD1 4.26Å; W696-F797 HydrophobicContact CG-CE1 4.16Å; W696-F797 HydrophobicContact CH2-CB 3.72Å; W696-F797 AromaticContact CH2-CD1 3.72Å; W696-F797 HydrophobicContact CH2-CD1 3.72Å; W696-F797 AromaticContact CH2-CG 3.93Å; W696-F797 HydrophobicContact CH2-CG 3.93Å; W696-F797 HydrophobicContact CZ2-CB 4.33Å; W696-F797 AromaticContact CZ2-CD1 3.56Å; W696-F797 HydrophobicContact CZ2-CD1 3.56Å; W696-F797 AromaticContact CZ2-CE1 3.99Å; W696-F797 HydrophobicContact CZ2-CE1 3.99Å; W696-F797 HydrophobicContact CZ2-CG 4.02Å; W696-F797 HydrophobicContact CZ3-CB 3.81Å; W696-F797 AromaticContact CZ3-CD1 3.79Å; W696-F797 HydrophobicContact CZ3-CD1 3.79Å; W696-F797 HydrophobicContact CZ3-CG 4.19Å; W696-F797 AromaticContact NE1-CE1 3.66Å; P715-F797 HydrophobicContact CB-CZ 4.27Å; P715-F797 HydrophobicContact CG-CE1 4.16Å; P715-F797 HydrophobicContact CG-CZ 4.17Å; Y717-F797 HydrophobicContact CE2-CE2 4.02Å; Y717-F797 AromaticContact CE2-CZ 3.91Å; Y717-F797 HydrophobicContact CE2-CZ 3.91Å; L731-F797 HydrophobicContact CD1-CB 3.95Å; L731-F797 HydrophobicContact CD1-CD2 3.72Å; L731-F797 HydrophobicContact CD1-CE2 4.5Å; L731-F797 HydrophobicContact CD1-CG 4.01Å; R732-F797 CarbonylContact O-C 3.58Å; R732-F797 VanDerWaalsContact O-CA 3.25Å; R732-F797 WeakPolarHBondContact O-CA 3.47Å; R732-F797 WeakPolarHBondContact O-CB 3.41Å; P786-F797 HydrophobicContact CB-CE2 4.1Å; P786-F797 HydrophobicContact CB-CZ 4.16Å; P786-F797 HydrophobicContact CG-CE1 4.37Å; P786-F797 HydrophobicContact CG-CE2 3.69Å; P786-F797 HydrophobicContact CG-CZ 3.55Å; F797-L799 HydrophobicContact CD2-CB 4.45Å; F797-L799 HydrophobicContact CE2-CB 4.49Å
798F96.4Very high94.7Very high87 Ų8750.8 Ų50.838%0.38226%0.259SS..EExtended strand (participates in β ladder)trans-112.4131.7169.3-52.5-65.8000108.9R691 I692 N693 R732R691-F798 HydrophobicContact CG-CD1 4.44Å; I692-F798 WeakPolarHBondContact O-CA 3.24Å; N693-F798 VanDerWaalsContact OD1-CD1 3.28Å; N693-F798 WeakPolarHBondContact OD1-CD1 3.43Å; R732-F798 HydrophobicContact CB-CB 4.33Å; R732-F798 PolarHBondContact N-O 3.22Å; R732-F798 PolarHBondContact O-N 2.94Å
799L96.7Very high94.6Very high0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-118.3106.2175.2-175.167.2000108I692 Y717 I729 E730 L731 I784 F797 F801I692-L799 HydrophobicContact CB-CB 4.38Å; I692-L799 PolarHBondContact N-O 2.81Å; I692-L799 PolarHBondContact O-N 2.91Å; Y717-L799 HydrophobicContact CD2-CD2 4.21Å; I729-L799 HydrophobicContact CG2-CD1 3.62Å; I729-L799 HydrophobicContact CG2-CG 4.4Å; E730-L799 WeakPolarHBondContact O-CA 3.29Å; L731-L799 HydrophobicContact CB-CD1 4.15Å; L731-L799 HydrophobicContact CD1-CD1 4.25Å; I784-L799 HydrophobicContact CD1-CD1 3.91Å; I784-L799 HydrophobicContact CD1-CD2 4.1Å; I784-L799 HydrophobicContact CG1-CD2 4.46Å; I784-L799 HydrophobicContact CG2-CD2 3.98Å; F797-L799 HydrophobicContact CD2-CB 4.45Å; F797-L799 HydrophobicContact CE2-CB 4.49Å; L799-F801 HydrophobicContact CD2-CE2 3.65Å; L799-F801 HydrophobicContact CD2-CZ 3.8Å; L799-F801 HydrophobicContact CG-CD2 4.36Å; L799-F801 HydrophobicContact CG-CE2 3.64Å; L799-F801 HydrophobicContact CG-CZ 4.14Å
800D95.6Very high94.5Very high2 Ų251.9 Ų51.91%0.01127%0.272CS..EExtended strand (participates in β ladder)trans-102.2120.4-174.7-68-39000110.3R691 I729 E730 R732R691-D800 WeakPolarHBondContact CA-OD1 3.38Å; R691-D800 WeakPolarHBondContact CB-OD1 3.22Å; R691-D800 VanDerWaalsContact CG-OD1 3.27Å; R691-D800 WeakPolarHBondContact CG-OD1 3.47Å; R691-D800 IonicContact CZ-OD1 2.78Å; R691-D800 IonicContact CZ-OD2 2.86Å; R691-D800 IonicContact NE-OD1 2.69Å; R691-D800 PolarHBondContact NE-OD1 3.19Å; R691-D800 IonicContact NE-OD2 3.66Å; R691-D800 PolarHBondContact NE-OD2 3.31Å; R691-D800 IonicContact NH2-OD1 2.64Å; R691-D800 PolarHBondContact NH2-OD1 2.84Å; R691-D800 IonicContact NH2-OD2 3.67Å; R691-D800 PolarHBondContact NH2-OD2 2.81Å; I729-D800 WeakPolarHBondContact CA-O 3.31Å; E730-D800 HydrophobicContact CB-CB 4.28Å; E730-D800 PolarHBondContact N-O 3.47Å; E730-D800 PolarHBondContact O-N 3.05Å; R732-D800 IonicContact CZ-OD2 3.62Å; R732-D800 IonicContact NH1-OD2 3.64Å; R732-D800 PolarHBondContact NH1-OD2 2.71Å
801F96.2Very high94.3Very high0 Ų053.2 Ų53.20%028%0.276CS..EExtended strand (participates in β ladder)trans-102.9116.6174.9-63.6-107.2000109.4S689 K690 I692 F719 L727 I729 I784 L799 I807 I809S689-F801 CarbonylContact C-O 3.57Å; S689-F801 WeakPolarHBondContact CA-O 3.12Å; K690-F801 PolarHBondContact N-O 2.85Å; K690-F801 PolarHBondContact O-N 3.32Å; I692-F801 HydrophobicContact CG1-CE2 4.17Å; F719-F801 HydrophobicContact CB-CE1 4.27Å; F719-F801 AromaticContact CD1-CE1 3.73Å; F719-F801 HydrophobicContact CD1-CE1 3.73Å; F719-F801 HydrophobicContact CD1-CZ 4.26Å; F719-F801 HydrophobicContact CD2-CE1 4.25Å; F719-F801 HydrophobicContact CE1-CE1 4.02Å; F719-F801 AromaticContact CG-CE1 3.85Å; F719-F801 HydrophobicContact CG-CE1 3.85Å; F719-F801 HydrophobicContact CZ-CE1 4.4Å; L727-F801 HydrophobicContact CD1-CD1 4.43Å; I729-F801 HydrophobicContact CD1-CD1 4.23Å; I729-F801 HydrophobicContact CD1-CE1 4.04Å; I729-F801 HydrophobicContact CG1-CD1 4Å; I729-F801 HydrophobicContact CG1-CE1 4.28Å; I784-F801 HydrophobicContact CG2-CZ 3.94Å; L799-F801 HydrophobicContact CD2-CE2 3.65Å; L799-F801 HydrophobicContact CD2-CZ 3.8Å; L799-F801 HydrophobicContact CG-CD2 4.36Å; L799-F801 HydrophobicContact CG-CE2 3.64Å; L799-F801 HydrophobicContact CG-CZ 4.14Å; F801-I807 HydrophobicContact CB-CD1 4.23Å; F801-I807 HydrophobicContact CD1-CD1 4.46Å; F801-I809 HydrophobicContact CD1-CD1 4.41Å; F801-I809 HydrophobicContact CD2-CD1 3.51Å; F801-I809 HydrophobicContact CE1-CD1 4.49Å; F801-I809 HydrophobicContact CE2-CD1 3.61Å; F801-I809 HydrophobicContact CG-CD1 3.93Å; F801-I809 HydrophobicContact CZ-CD1 4.09Å
802N95Very high94.1Very high21 Ų2156.2 Ų56.211%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-112.1126179.7-55.6-69.6000109.1Y686 L688 S689 L728Y686-N802 VanDerWaalsContact CD1-C 3.46Å; Y686-N802 HydrophobicContact CD1-CB 4.28Å; Y686-N802 WeakPolarHBondContact CD1-O 3.26Å; Y686-N802 HydrophobicContact CD2-CB 3.99Å; Y686-N802 HydrophobicContact CG-CB 3.73Å; L688-N802 CarbonylContact O-C 3.52Å; L688-N802 WeakPolarHBondContact O-CA 3.38Å; S689-N802 VanDerWaalsContact CB-OD1 3.26Å; S689-N802 WeakPolarHBondContact CB-OD1 3.33Å; S689-N802 PolarHBondContact OG-OD1 3.44Å; L728-N802 HydrophobicContact CB-CB 4.17Å; L728-N802 HydrophobicContact CD2-CB 4.26Å; L728-N802 HydrophobicContact CG-CB 4.42Å; L728-N802 PolarHBondContact N-O 2.76Å; L728-N802 PolarHBondContact O-N 3.17Å
803S93.9Very high93.6Very high8 Ų852.9 Ų52.96%0.05628%0.277CS..EExtended strand (participates in β ladder)trans-156.5177.1-166.558.90000112.4Y686 T687 L688 I805Y686-S803 WeakPolarHBondContact CA-O 3.44Å; T687-S803 PolarHBondContact N-O 3.42Å; L688-S803 PolarHBondContact N-O 2.91Å; L688-S803 PolarHBondContact O-N 2.67Å; S803-I805 PolarHBondContact OG-O 2.82Å; S803-I805 VanDerWaalsContact OG-O 3.1Å
804I92.3Very high93.4Very high70 Ų7053.8 Ų53.836%0.35928%0.283SS..SBendtrans-102.1-7.6172.155.7160000114.3P685 P726P685-I804 WeakPolarHBondContact O-CG2 3.2Å; P726-I804 HydrophobicContact CG-CD1 4.32Å; P726-I804 HydrophobicContact CG-CG1 4.22Å; P726-I804 HydrophobicContact CG-CG2 4.2Å
805I86.9Confident93.2Very high36 Ų3651.7 Ų51.719%0.18528%0.275CS..SBendtrans-134.4138-171.7-69.4149.3000108.4K723 S803 I807K723-I805 HydrophobicContact CB-CD1 3.87Å; K723-I805 HydrophobicContact CD-CD1 4.47Å; K723-I805 HydrophobicContact CG-CD1 4.2Å; K723-I805 WeakPolarHBondContact O-CD1 3.43Å; S803-I805 PolarHBondContact OG-O 2.82Å; S803-I805 VanDerWaalsContact OG-O 3.1Å; I805-I807 WeakPolarHBondContact O-CG1 3.34Å; I805-I807 PolarHBondContact O-N 2.97Å
806P88.4Confident93.1Very high91 Ų9153.7 Ų53.759%0.59128%0.281SS*.PPolyproline II helixtrans-60.3122-177.2-23.633.3000113.5L688L688-P806 HydrophobicContact CD1-CB 4.37Å; L688-P806 HydrophobicContact CD1-CG 3.73Å
807I90.7Very high92.8Very high11 Ų1151.6 Ų51.66%0.05626%0.264CS..PPolyproline II helixtrans-93.5121.4-178.9-56.1-178.1000110.8K690 F719 I721 L727 F801 I805 I809K690-I807 WeakPolarHBondContact CD-O 3.46Å; K690-I807 PolarHBondContact NZ-O 2.93Å; F719-I807 HydrophobicContact CB-CG2 3.78Å; F719-I807 HydrophobicContact CD2-CG2 4.18Å; F719-I807 HydrophobicContact CG-CG2 4.43Å; I721-I807 HydrophobicContact CD1-CD1 3.67Å; I721-I807 HydrophobicContact CD1-CG1 3.96Å; I721-I807 HydrophobicContact CD1-CG2 4.43Å; L727-I807 HydrophobicContact CD1-CD1 3.66Å; F801-I807 HydrophobicContact CB-CD1 4.23Å; F801-I807 HydrophobicContact CD1-CD1 4.46Å; I805-I807 WeakPolarHBondContact O-CG1 3.34Å; I805-I807 PolarHBondContact O-N 2.97Å; I807-I809 HydrophobicContact CB-CG1 4.43Å; I807-I809 HydrophobicContact CG2-CD1 4.21Å; I807-I809 HydrophobicContact CG2-CG1 3.69Å
808K90.8Very high92.6Very high125 Ų12554.8 Ų54.854%0.54328%0.28SS..EExtended strand (participates in β ladder)trans-79.6129.9167.2-71.9161.8-178.4163.20108.1F719 H720 E722F719-K808 VanDerWaalsContact CA-O 3.26Å; F719-K808 WeakPolarHBondContact CA-O 3.29Å; H720-K808 HydrophobicContact CB-CB 4.46Å; H720-K808 PolarHBondContact N-O 2.94Å; E722-K808 WeakPolarHBondContact OE1-CE 3.33Å; E722-K808 IonicContact OE1-NZ 3.83Å; E722-K808 PolarHBondContact OE1-NZ 3.26Å
809I94.1Very high92.3Very high25 Ų2552.7 Ų52.713%0.12827%0.273CS..EExtended strand (participates in β ladder)trans-136.9133.2-174.6-49.8173.9000108.2K690 I692 Q718 F719 F801 I807K690-I809 HydrophobicContact CD-CD1 3.75Å; K690-I809 HydrophobicContact CD-CG1 4.29Å; K690-I809 HydrophobicContact CG-CD1 4.04Å; I692-I809 HydrophobicContact CD1-CB 4.27Å; I692-I809 HydrophobicContact CD1-CD1 4.13Å; I692-I809 HydrophobicContact CD1-CG2 4.06Å; I692-I809 HydrophobicContact CG1-CD1 4.06Å; I692-I809 HydrophobicContact CG1-CG2 4.14Å; Q718-I809 CarbonylContact O-C 3.54Å; Q718-I809 VanDerWaalsContact O-CA 3.28Å; Q718-I809 WeakPolarHBondContact O-CA 3.26Å; F719-I809 HydrophobicContact CB-CG1 4.04Å; F801-I809 HydrophobicContact CD1-CD1 4.41Å; F801-I809 HydrophobicContact CD2-CD1 3.51Å; F801-I809 HydrophobicContact CE1-CD1 4.49Å; F801-I809 HydrophobicContact CE2-CD1 3.61Å; F801-I809 HydrophobicContact CG-CD1 3.93Å; F801-I809 HydrophobicContact CZ-CD1 4.09Å; I807-I809 HydrophobicContact CB-CG1 4.43Å; I807-I809 HydrophobicContact CG2-CD1 4.21Å; I807-I809 HydrophobicContact CG2-CG1 3.69Å
810T94.6Very high92Very high88 Ų8856.4 Ų56.454%0.5429%0.293SS..EExtended strand (participates in β ladder)trans-133.8133.5179.9-56.50000109Y717 Q718Y717-T810 CarbonylContact C-O 3.51Å; Y717-T810 WeakPolarHBondContact CA-O 3.4Å; Q718-T810 PolarHBondContact N-O 3.31Å; Q718-T810 PolarHBondContact O-N 3.23Å
811Q93.9Very high91.7Very high105 Ų10560.6 Ų60.649%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-76.4127.5169.6-171.1170.5-9.200109.3Y717 Q813Y717-Q811 HydrophobicContact CD1-CB 3.7Å; Y717-Q811 HydrophobicContact CD1-CG 3.87Å; Y717-Q811 HydrophobicContact CE1-CB 3.66Å; Y717-Q811 HydrophobicContact CE1-CG 3.54Å; Q811-Q813 WeakPolarHBondContact CG-O 3.4Å; Q811-Q813 PolarHBondContact NE2-O 2.8Å; Q811-Q813 PolarHBondContact NE2-OXT 2.97Å
812L91.6Very high91.3Very high96 Ų9665.7 Ų65.750%0.50334%0.341SS..  trans-96-30.5173.1-58.5-173.6000111.9V716 Q718V716-L812 HydrophobicContact CB-CB 4.4Å; V716-L812 HydrophobicContact CG1-CB 4.42Å; V716-L812 HydrophobicContact CG1-CD1 4.32Å; V716-L812 PolarHBondContact O-N 3.43Å; Q718-L812 HydrophobicContact CB-CD1 3.89Å; Q718-L812 HydrophobicContact CB-CD2 4.17Å; Q718-L812 HydrophobicContact CB-CG 3.91Å
813Q83.9Confident91Very high112 Ų11269.7 Ų69.752%0.52336%0.361SS..  trans-150.30-176.9-167.2171.4-86.100109.9K712 N713 N714 P715 V716 Q811K712-Q813 PolarHBondContact O-NE2 3.03Å; N713-Q813 VanDerWaalsContact C-NE2 3.34Å; N713-Q813 PolarHBondContact O-NE2 3.46Å; N714-Q813 PolarHBondContact O-NE2 3.34Å; P715-Q813 CarbonylContact C-O 3.57Å; P715-Q813 VanDerWaalsContact CA-O 3.24Å; P715-Q813 WeakPolarHBondContact CA-O 3.11Å; V716-Q813 HydrophobicContact CB-CB 4Å; V716-Q813 HydrophobicContact CG2-CB 4.07Å; V716-Q813 PolarHBondContact N-O 3.28Å; V716-Q813 PolarHBondContact O-N 2.93Å; Q811-Q813 WeakPolarHBondContact CG-O 3.4Å; Q811-Q813 PolarHBondContact NE2-O 2.8Å; Q811-Q813 PolarHBondContact NE2-OXT 2.97Å

Retrieved 813 of 813 residues in 301.3 ms (Link to these results)

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