A0A077YYJ7_TRITR Loading...

DUF4147 and MOFRL domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 513 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
1M44.7Very low67.4Low203 Ų203106.8 Ų106.8100%155%0.547SS*.  0-52.10-82.1179.2171.100113K3 V4M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.97Å; M1-V4 PolarHBondContact O-N 3.27Å
2A43Very low69.6Low83 Ų8399.6 Ų99.669%0.68651%0.509SS*.Hα-helixtrans-52.8-41.6-177.500000115.2V4 V5A2-V4 VanDerWaalsContact C-N 3.3Å; A2-V4 PolarHBondContact O-N 2.85Å; A2-V5 PolarHBondContact O-N 3.33Å
3K40.7Very low71.4Confident192 Ų19293.2 Ų93.284%0.83548%0.477SS*.Hα-helixtrans-68.3-17.8179.1-73.2-171.4175.4-175.50115.7M1 P7M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 2.97Å; K3-P7 WeakPolarHBondContact O-CD 3.45Å
4V56.5Low73.1Confident99 Ų9990.5 Ų90.560%0.648%0.476SS*.Hα-helixtrans-92.1-20.9-179.9-178.10000111.2M1 A2 P7 I8M1-V4 PolarHBondContact O-N 3.27Å; A2-V4 VanDerWaalsContact C-N 3.3Å; A2-V4 PolarHBondContact O-N 2.85Å; V4-P7 WeakPolarHBondContact O-CD 3.45Å; V4-I8 HydrophobicContact CG1-CD1 4.41Å
5V58.1Low74.6Confident39 Ų3985.3 Ų85.324%0.23645%0.453CS..Hα-helixtrans-77.2-35.3-176.31770000112.2A2 I8 F9A2-V5 PolarHBondContact O-N 3.33Å; V5-I8 PolarHBondContact O-N 3.2Å; V5-F9 WeakPolarHBondContact O-CB 3.35Å; V5-F9 PolarHBondContact O-N 2.87Å
6E62.6Low76Confident133 Ų13380 Ų8062%0.62143%0.425SS*.Hα-helixtrans-59.9-48.9178.5-77.5175-178.700112.7I8 F9 D10E6-I8 VanDerWaalsContact C-N 3.26Å; E6-I8 PolarHBondContact O-N 3.46Å; E6-F9 PolarHBondContact O-N 3.28Å; E6-D10 PolarHBondContact O-N 3.48Å
7P79.1Confident77.1Confident74 Ų7477.4 Ų77.448%0.48141%0.411SS..Hα-helixtrans-59.7-31.3176.5-25.932.9000115.1K3 V4 R11K3-P7 WeakPolarHBondContact O-CD 3.45Å; V4-P7 WeakPolarHBondContact O-CD 3.45Å; P7-R11 WeakPolarHBondContact O-CB 2.98Å; P7-R11 PolarHBondContact O-N 3.19Å
8I86.5Confident78.2Confident43 Ų4377.4 Ų77.422%0.22141%0.408CS..Hα-helixtrans-75.6-46.8179.4-65173.9000109.9V4 V5 E6 D10 R11 H12 Y436V4-I8 HydrophobicContact CG1-CD1 4.41Å; V5-I8 PolarHBondContact O-N 3.2Å; E6-I8 VanDerWaalsContact C-N 3.26Å; E6-I8 PolarHBondContact O-N 3.46Å; I8-D10 PolarHBondContact O-N 2.9Å; I8-R11 PolarHBondContact O-N 3.1Å; I8-H12 WeakPolarHBondContact CG2-CE1 3.23Å; I8-H12 PolarHBondContact O-N 2.91Å; I8-Y436 HydrophobicContact CD1-CE2 3.98Å; I8-Y436 HydrophobicContact CG2-CD2 3.92Å; I8-Y436 HydrophobicContact CG2-CE2 3.86Å; I8-Y436 HydrophobicContact CG2-CG 4.47Å
9F87.9Confident79.3Confident23 Ų2373.4 Ų73.410%0.10139%0.387CS..Hα-helixtrans-55-52.5175.7173.3-94.7000111.1V5 E6 R11 H12 V13 L457 H459V5-F9 WeakPolarHBondContact O-CB 3.35Å; V5-F9 PolarHBondContact O-N 2.87Å; E6-F9 PolarHBondContact O-N 3.28Å; F9-R11 VanDerWaalsContact C-N 3.29Å; F9-R11 PolarHBondContact O-N 3.31Å; F9-H12 PolarHBondContact O-N 2.63Å; F9-V13 HydrophobicContact CD1-CG2 4.35Å; F9-V13 HydrophobicContact CD2-CG2 4.18Å; F9-V13 HydrophobicContact CE1-CG2 4Å; F9-V13 HydrophobicContact CE2-CG2 3.82Å; F9-V13 HydrophobicContact CG-CG2 4.44Å; F9-V13 HydrophobicContact CZ-CG2 3.72Å; F9-V13 WeakPolarHBondContact O-CB 2.94Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 3.31Å; F9-L457 HydrophobicContact CE2-CD1 4.34Å; F9-L457 HydrophobicContact CZ-CD1 4.44Å; F9-H459 HydrophobicContact CD2-CB 3.56Å; F9-H459 AromaticContact CD2-CG 3.71Å; F9-H459 HydrophobicContact CE2-CB 3.67Å
10D89.5Confident80.2Confident98 Ų9869.8 Ų69.852%0.52437%0.368SS..Hα-helixtrans-60.7-39.5-177.8-68.7-24.1000111.8E6 I8 A14E6-D10 PolarHBondContact O-N 3.48Å; I8-D10 PolarHBondContact O-N 2.9Å; D10-A14 VanDerWaalsContact O-CB 3.24Å; D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 2.69Å
11R92.3Very high80.9Confident188 Ų18873.2 Ų73.271%0.70938%0.376SS*.Hα-helixtrans-65.2-47.9177.4-175.3-173.7-61.3-168.5-0.6112.2P7 I8 F9 A14 G15P7-R11 WeakPolarHBondContact O-CB 2.98Å; P7-R11 PolarHBondContact O-N 3.19Å; I8-R11 PolarHBondContact O-N 3.1Å; F9-R11 VanDerWaalsContact C-N 3.29Å; F9-R11 PolarHBondContact O-N 3.31Å; R11-A14 PolarHBondContact O-N 2.8Å; R11-G15 PolarHBondContact O-N 2.85Å
12H94.4Very high83.4Confident20 Ų2064.9 Ų64.99%0.09334%0.337CS..Hα-helixtrans-65.8-41.7-179-66.9175.5000111.1I8 F9 G15 L16 Y436 T438 H459 Y512I8-H12 WeakPolarHBondContact CG2-CE1 3.23Å; I8-H12 PolarHBondContact O-N 2.91Å; F9-H12 PolarHBondContact O-N 2.63Å; H12-G15 PolarHBondContact O-N 2.91Å; H12-L16 PolarHBondContact O-N 3.35Å; H12-Y436 AromaticContact CE1-CD2 3.95Å; H12-T438 HydrophobicContact CB-CG2 4.12Å; H12-H459 AromaticContact CE1-NE2 3.92Å; H12-H459 AromaticContact CG-NE2 3.75Å; H12-H459 AromaticContact ND1-CD2 3.77Å; H12-H459 AromaticContact ND1-NE2 2.93Å; H12-H459 PolarHBondContact ND1-NE2 3.1Å; H12-Y512 HydrophobicContact CB-CE1 4.38Å; H12-Y512 HydrophobicContact CB-CE2 4.07Å; H12-Y512 AromaticContact CD2-CD1 3.67Å; H12-Y512 AromaticContact CD2-CE1 3.31Å; H12-Y512 WeakPolarHBondContact CD2-CE1 3.38Å; H12-Y512 AromaticContact CD2-CZ 3.59Å; H12-Y512 AromaticContact CE1-CD1 3.68Å; H12-Y512 AromaticContact CE1-CD2 3.68Å; H12-Y512 AromaticContact CE1-CE1 4Å; H12-Y512 AromaticContact CE1-CG 3.5Å; H12-Y512 AromaticContact CG-CE1 3.71Å; H12-Y512 AromaticContact CG-CE2 3.71Å; H12-Y512 AromaticContact CG-CZ 3.47Å; H12-Y512 VanDerWaalsContact CG-CZ 3.47Å; H12-Y512 AromaticContact ND1-CD2 3.68Å; H12-Y512 AromaticContact ND1-CE2 3.63Å; H12-Y512 AromaticContact ND1-CG 3.97Å; H12-Y512 AromaticContact ND1-CZ 3.86Å; H12-Y512 AromaticContact NE2-CD1 3.35Å; H12-Y512 WeakPolarHBondContact NE2-CD1 3.28Å; H12-Y512 AromaticContact NE2-CE1 3.55Å; H12-Y512 AromaticContact NE2-CG 3.7Å
13V93.3Very high86Confident16 Ų1660.9 Ų60.910%0.09731%0.305CS..Hα-helixtrans-63.6-43175.2171.70000111.1F9 G15 L16 L17 L457F9-V13 HydrophobicContact CD1-CG2 4.35Å; F9-V13 HydrophobicContact CD2-CG2 4.18Å; F9-V13 HydrophobicContact CE1-CG2 4Å; F9-V13 HydrophobicContact CE2-CG2 3.82Å; F9-V13 HydrophobicContact CG-CG2 4.44Å; F9-V13 HydrophobicContact CZ-CG2 3.72Å; F9-V13 WeakPolarHBondContact O-CB 2.94Å; F9-V13 WeakPolarHBondContact O-CG2 3.47Å; F9-V13 PolarHBondContact O-N 3.31Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-G15 PolarHBondContact O-N 3.31Å; V13-L16 PolarHBondContact O-N 3.3Å; V13-L17 HydrophobicContact CG1-CD1 3.89Å; V13-L17 HydrophobicContact CG1-CG 4.2Å; V13-L17 WeakPolarHBondContact O-CB 3.41Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 2.75Å; V13-L457 HydrophobicContact CB-CD2 4.48Å; V13-L457 HydrophobicContact CG1-CD2 3.8Å; V13-L457 HydrophobicContact CG2-CD1 3.87Å; V13-L457 HydrophobicContact CG2-CD2 4.04Å
14A94.5Very high88.5Confident56 Ų5652.1 Ų52.146%0.46327%0.267SS..Hα-helixtrans-59.1-43.9176.400000112.3D10 R11 L17 Q18D10-A14 VanDerWaalsContact O-CB 3.24Å; D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 2.69Å; R11-A14 PolarHBondContact O-N 2.8Å; A14-L17 PolarHBondContact O-N 3.08Å; A14-Q18 WeakPolarHBondContact O-CB 3.49Å; A14-Q18 PolarHBondContact O-N 2.85Å
15G95.9Very high90.3Very high12 Ų1252.8 Ų52.812%0.12427%0.267CS..Hα-helixtrans-62.7-43.9175.800000113R11 H12 V13 Q18 I19R11-G15 PolarHBondContact O-N 2.85Å; H12-G15 PolarHBondContact O-N 2.91Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-G15 PolarHBondContact O-N 3.31Å; G15-Q18 WeakPolarHBondContact O-CB 3.45Å; G15-Q18 PolarHBondContact O-N 2.8Å; G15-I19 WeakPolarHBondContact O-CG1 3.34Å; G15-I19 PolarHBondContact O-N 2.96Å
16L96.4Very high92.2Very high1 Ų152.4 Ų52.41%0.00527%0.267CS..Hα-helixtrans-61.2-45.8176-175.5154.5000112H12 V13 Q18 I19 F20 T438 S440 L442 L457H12-L16 PolarHBondContact O-N 3.35Å; V13-L16 PolarHBondContact O-N 3.3Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 2.74Å; L16-I19 PolarHBondContact O-N 3.44Å; L16-F20 PolarHBondContact O-N 3.46Å; L16-T438 WeakPolarHBondContact CD1-OG1 3.44Å; L16-S440 WeakPolarHBondContact CD1-OG 3.36Å; L16-L442 HydrophobicContact CD2-CD1 4.03Å; L16-L457 HydrophobicContact CD2-CD2 4.49Å
17L95.6Very high93.7Very high36 Ų3646.1 Ų46.119%0.18824%0.237CC..Hα-helixtrans-66.7-31.8177.9-68179.2000112.2V13 A14 R21 V494V13-L17 HydrophobicContact CG1-CD1 3.89Å; V13-L17 HydrophobicContact CG1-CG 4.2Å; V13-L17 WeakPolarHBondContact O-CB 3.41Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.48Å; V13-L17 PolarHBondContact O-N 2.75Å; A14-L17 PolarHBondContact O-N 3.08Å; L17-R21 WeakPolarHBondContact O-CB 3.24Å; L17-R21 VanDerWaalsContact O-CG 3.24Å; L17-R21 WeakPolarHBondContact O-CG 3.44Å; L17-R21 PolarHBondContact O-N 3.22Å; L17-V494 HydrophobicContact CD2-CB 4.42Å; L17-V494 HydrophobicContact CD2-CG1 3.56Å; L17-V494 HydrophobicContact CD2-CG2 3.98Å
18Q97Very high94.3Very high78 Ų7844.3 Ų44.336%0.36422%0.224SC..Hα-helixtrans-65.2-45.1173.5-178.6175.9-16.300111.3A14 G15 L16 R21 S22 E311 I315A14-Q18 WeakPolarHBondContact O-CB 3.49Å; A14-Q18 PolarHBondContact O-N 2.85Å; G15-Q18 WeakPolarHBondContact O-CB 3.45Å; G15-Q18 PolarHBondContact O-N 2.8Å; L16-Q18 VanDerWaalsContact C-N 3.29Å; L16-Q18 PolarHBondContact O-N 2.74Å; Q18-R21 PolarHBondContact O-N 3.43Å; Q18-S22 PolarHBondContact O-N 3.19Å; Q18-E311 VanDerWaalsContact CD-OE1 3.32Å; Q18-E311 HydrophobicContact CG-CG 4.42Å; Q18-E311 WeakPolarHBondContact CG-OE1 3.47Å; Q18-E311 PolarHBondContact NE2-OE1 3.07Å; Q18-I315 VanDerWaalsContact NE2-CG2 3.35Å
19I98.2Very high94.7Very high0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-58.1-49.8173.5-65.9163.5000110.7G15 L16 R21 S22 A23 A308 E311 A312 I315 F317 L508G15-I19 WeakPolarHBondContact O-CG1 3.34Å; G15-I19 PolarHBondContact O-N 2.96Å; L16-I19 PolarHBondContact O-N 3.44Å; I19-R21 PolarHBondContact O-N 2.79Å; I19-S22 PolarHBondContact O-N 2.73Å; I19-A23 PolarHBondContact O-N 2.88Å; I19-A308 HydrophobicContact CG2-CB 3.68Å; I19-A308 WeakPolarHBondContact CG2-O 3.21Å; I19-E311 HydrophobicContact CG1-CG 4.26Å; I19-A312 HydrophobicContact CD1-CB 3.68Å; I19-A312 HydrophobicContact CG1-CB 4Å; I19-I315 HydrophobicContact CD1-CD1 3.84Å; I19-I315 HydrophobicContact CG1-CD1 3.76Å; I19-F317 HydrophobicContact CD1-CD2 4.49Å; I19-F317 HydrophobicContact CD1-CE2 4.42Å; I19-L508 HydrophobicContact CB-CD2 4.07Å; I19-L508 HydrophobicContact CG2-CD2 3.51Å
20F97.4Very high94.9Very high1 Ų143.6 Ų43.60%0.00422%0.22CC..Hα-helixtrans-62.9-42.5-178.9178.3-111.1000112.8L16 A23 C24 L442 A443 V496 L506L16-F20 PolarHBondContact O-N 3.46Å; F20-A23 VanDerWaalsContact O-CB 3.29Å; F20-A23 WeakPolarHBondContact O-CB 3.4Å; F20-A23 PolarHBondContact O-N 3.48Å; F20-C24 VanDerWaalsContact CZ-SG 3.58Å; F20-C24 PolarHBondContact O-N 3.02Å; F20-C24 PolarHBondContact O-SG 3.44Å; F20-L442 HydrophobicContact CB-CD1 3.9Å; F20-L442 HydrophobicContact CD1-CD1 3.87Å; F20-L442 HydrophobicContact CD2-CB 3.74Å; F20-L442 HydrophobicContact CD2-CD1 3.62Å; F20-L442 HydrophobicContact CD2-CG 4.32Å; F20-L442 HydrophobicContact CE1-CB 4.31Å; F20-L442 HydrophobicContact CE1-CD1 4.3Å; F20-L442 HydrophobicContact CE2-CB 3.36Å; F20-L442 HydrophobicContact CE2-CD1 4.09Å; F20-L442 HydrophobicContact CE2-CG 4.36Å; F20-L442 HydrophobicContact CG-CB 4.37Å; F20-L442 HydrophobicContact CG-CD1 3.5Å; F20-L442 HydrophobicContact CZ-CB 3.69Å; F20-L442 HydrophobicContact CZ-CD1 4.4Å; F20-A443 WeakPolarHBondContact CZ-O 3.48Å; F20-V496 HydrophobicContact CD1-CG1 4.37Å; F20-V496 HydrophobicContact CE1-CG1 4.19Å; F20-V496 HydrophobicContact CE1-CG2 3.97Å; F20-L506 HydrophobicContact CD2-CD1 4.04Å; F20-L506 HydrophobicContact CE2-CD1 4.22Å
21R95.9Very high95.2Very high143 Ų14341.8 Ų41.854%0.5422%0.215SC..Hα-helixtrans-61.4-45.4175.9-75.8173-172.5167.23.7111.8L17 Q18 I19 A23 C24 D25L17-R21 WeakPolarHBondContact O-CB 3.24Å; L17-R21 VanDerWaalsContact O-CG 3.24Å; L17-R21 WeakPolarHBondContact O-CG 3.44Å; L17-R21 PolarHBondContact O-N 3.22Å; Q18-R21 PolarHBondContact O-N 3.43Å; I19-R21 PolarHBondContact O-N 2.79Å; R21-A23 PolarHBondContact O-N 3.14Å; R21-C24 PolarHBondContact O-N 3.12Å; R21-C24 VanDerWaalsContact O-N 3.14Å; R21-D25 WeakPolarHBondContact O-CB 3.5Å; R21-D25 PolarHBondContact O-N 2.6Å
22S96.8Very high95.4Very high27 Ų2733.6 Ų33.619%0.18919%0.185CC..Hα-helixtrans-60.1-35.5176.5-179.20000112.3Q18 I19 S26 S307Q18-S22 PolarHBondContact O-N 3.19Å; I19-S22 PolarHBondContact O-N 2.73Å; S22-S26 WeakPolarHBondContact O-CB 3.4Å; S22-S26 PolarHBondContact O-N 3.08Å; S22-S26 VanDerWaalsContact O-N 3.13Å; S22-S307 PolarHBondContact O-OG 3.4Å; S22-S307 PolarHBondContact OG-OG 2.94Å; S22-S307 VanDerWaalsContact OG-OG 3.12Å
23A97.2Very high95.5Very high0 Ų032.6 Ų32.60%018%0.18CC..Hα-helixtrans-61.7-53172.400000111.4I19 F20 R21 D25 S26 A304 A308 L506I19-A23 PolarHBondContact O-N 2.88Å; F20-A23 VanDerWaalsContact O-CB 3.29Å; F20-A23 WeakPolarHBondContact O-CB 3.4Å; F20-A23 PolarHBondContact O-N 3.48Å; R21-A23 PolarHBondContact O-N 3.14Å; A23-D25 PolarHBondContact O-N 3.21Å; A23-S26 PolarHBondContact O-N 2.76Å; A23-S26 PolarHBondContact O-OG 3.21Å; A23-A304 HydrophobicContact CB-CB 4.27Å; A23-A304 WeakPolarHBondContact CB-O 3.32Å; A23-A308 HydrophobicContact CB-CB 3.94Å; A23-L506 HydrophobicContact CB-CD1 3.39Å
24C94.3Very high95.6Very high8 Ų836 Ų365%0.05420%0.195CC..Hα-helixtrans-62.3-41.2179.1-65.60000113F20 R21 S26 V27 N28 T499F20-C24 VanDerWaalsContact CZ-SG 3.58Å; F20-C24 PolarHBondContact O-N 3.02Å; F20-C24 PolarHBondContact O-SG 3.44Å; R21-C24 PolarHBondContact O-N 3.12Å; R21-C24 VanDerWaalsContact O-N 3.14Å; C24-S26 VanDerWaalsContact C-N 3.31Å; C24-S26 PolarHBondContact O-N 3.15Å; C24-V27 CarbonylContact O-C 3.56Å; C24-V27 WeakPolarHBondContact O-CG2 3.42Å; C24-V27 PolarHBondContact O-N 2.94Å; C24-N28 PolarHBondContact O-N 3.07Å; C24-T499 HydrophobicContact CB-CG2 4.34Å
25D94.3Very high95.6Very high112 Ų11237.3 Ų37.360%0.59920%0.201SC*.Hα-helixtrans-63.9-37.3179.5-69.1-20.2000111.4R21 A23 V27 N28R21-D25 WeakPolarHBondContact O-CB 3.5Å; R21-D25 PolarHBondContact O-N 2.6Å; A23-D25 PolarHBondContact O-N 3.21Å; D25-V27 PolarHBondContact O-N 3.24Å; D25-N28 VanDerWaalsContact O-CB 3.26Å; D25-N28 WeakPolarHBondContact O-CB 3.27Å; D25-N28 PolarHBondContact O-N 2.81Å; D25-N28 VanDerWaalsContact O-N 3.14Å
26S96Very high95.7Very high32 Ų3237.3 Ų37.322%0.22420%0.199CC..Hα-helixtrans-64-23.217874.40000113.7S22 A23 C24 S307S22-S26 WeakPolarHBondContact O-CB 3.4Å; S22-S26 PolarHBondContact O-N 3.08Å; S22-S26 VanDerWaalsContact O-N 3.13Å; A23-S26 PolarHBondContact O-N 2.76Å; A23-S26 PolarHBondContact O-OG 3.21Å; C24-S26 VanDerWaalsContact C-N 3.31Å; C24-S26 PolarHBondContact O-N 3.15Å; S26-S307 VanDerWaalsContact CB-CB 3.42Å; S26-S307 WeakPolarHBondContact CB-OG 3.43Å; S26-S307 VanDerWaalsContact OG-CB 3.25Å; S26-S307 WeakPolarHBondContact OG-CB 2.93Å
27V94.7Very high95.7Very high0 Ų037.6 Ų37.60%020%0.2CC..THydrogen-bonded Turntrans-113.625.5177.6-640000112.1C24 D25 P29 L32 M303 A304 T501 V503C24-V27 CarbonylContact O-C 3.56Å; C24-V27 WeakPolarHBondContact O-CG2 3.42Å; C24-V27 PolarHBondContact O-N 2.94Å; D25-V27 PolarHBondContact O-N 3.24Å; V27-P29 WeakPolarHBondContact O-CD 3.35Å; V27-L32 HydrophobicContact CB-CD1 4.32Å; V27-M303 HydrophobicContact CG1-CB 3.99Å; V27-M303 HydrophobicContact CG1-CG 4Å; V27-M303 HydrophobicContact CG1-SD 4.02Å; V27-A304 HydrophobicContact CG1-CB 4.07Å; V27-A304 HydrophobicContact CG2-CB 4.28Å; V27-T501 HydrophobicContact CG2-CG2 4Å; V27-T501 WeakPolarHBondContact O-CB 3.36Å; V27-T501 PolarHBondContact O-OG1 3.25Å; V27-V503 HydrophobicContact CB-CG1 4.26Å; V27-V503 HydrophobicContact CB-CG2 4.41Å; V27-V503 HydrophobicContact CG1-CG1 4.39Å; V27-V503 HydrophobicContact CG1-CG2 4.38Å; V27-V503 HydrophobicContact CG2-CG1 4.36Å; V27-V503 HydrophobicContact CG2-CG2 3.77Å
28N93Very high95.6Very high37 Ų3738.9 Ų38.920%0.19821%0.212CC..  trans-63.7119.2174.8176.6-89.4000110.2C24 D25 E30 S31 L32C24-N28 PolarHBondContact O-N 3.07Å; D25-N28 VanDerWaalsContact O-CB 3.26Å; D25-N28 WeakPolarHBondContact O-CB 3.27Å; D25-N28 PolarHBondContact O-N 2.81Å; D25-N28 VanDerWaalsContact O-N 3.14Å; N28-E30 PolarHBondContact O-N 3.02Å; N28-E30 PolarHBondContact OD1-N 2.87Å; N28-S31 PolarHBondContact O-N 2.81Å; N28-S31 WeakPolarHBondContact OD1-CB 3.47Å; N28-S31 PolarHBondContact OD1-N 3.28Å; N28-S31 PolarHBondContact OD1-OG 3.3Å; N28-L32 WeakPolarHBondContact O-CG 3.44Å; N28-L32 PolarHBondContact O-N 3.48Å
29P93.5Very high95.4Very high0 Ų037.7 Ų37.70%021%0.21CC..Hα-helixtrans-64.6-37.7-169.2-25.735.8000114.6V27 V33 A68 M72 I230 E500V27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-V33 WeakPolarHBondContact O-CB 3.28Å; P29-V33 WeakPolarHBondContact O-CG2 3.45Å; P29-V33 PolarHBondContact O-N 2.8Å; P29-A68 HydrophobicContact CB-CB 3.82Å; P29-A68 HydrophobicContact CG-CB 3.5Å; P29-A68 VanDerWaalsContact CG-CB 3.5Å; P29-M72 HydrophobicContact CB-CG 3.64Å; P29-I230 HydrophobicContact CB-CD1 3.51Å; P29-I230 HydrophobicContact CG-CD1 3.81Å; P29-E500 WeakPolarHBondContact CG-O 3.41Å
30E93.6Very high95Very high51 Ų5143.2 Ų43.224%0.23823%0.234CC..Hα-helixtrans-60.4-49174.9176.8162.7178.300110.9N28 V33 Q34 S71 R74 G75N28-E30 PolarHBondContact O-N 3.02Å; N28-E30 PolarHBondContact OD1-N 2.87Å; E30-V33 PolarHBondContact O-N 2.83Å; E30-Q34 VanDerWaalsContact O-CB 3.28Å; E30-Q34 WeakPolarHBondContact O-CB 3.39Å; E30-Q34 PolarHBondContact O-N 3.32Å; E30-S71 VanDerWaalsContact CA-O 3.29Å; E30-S71 WeakPolarHBondContact CA-O 3.26Å; E30-S71 WeakPolarHBondContact CB-O 3.13Å; E30-S71 WeakPolarHBondContact CB-OG 3.33Å; E30-S71 PolarHBondContact N-OG 2.87Å; E30-R74 HydrophobicContact CG-CB 4.09Å; E30-R74 WeakPolarHBondContact OE2-CD 3.39Å; E30-R74 IonicContact OE2-CZ 3.39Å; E30-R74 IonicContact OE2-NE 2.82Å; E30-R74 PolarHBondContact OE2-NE 2.92Å; E30-G75 WeakPolarHBondContact O-CA 3.31Å
31S94.6Very high94.2Very high60 Ų6047 Ų4742%0.4227%0.265SS..Hα-helixtrans-65.8-41179-57.20000112.4N28 Q34 S35N28-S31 PolarHBondContact O-N 2.81Å; N28-S31 WeakPolarHBondContact OD1-CB 3.47Å; N28-S31 PolarHBondContact OD1-N 3.28Å; N28-S31 PolarHBondContact OD1-OG 3.3Å; S31-Q34 PolarHBondContact O-N 3.44Å; S31-S35 WeakPolarHBondContact O-CB 3.35Å; S31-S35 PolarHBondContact O-N 3.17Å; S31-S35 PolarHBondContact O-OG 3.03Å
32L96.2Very high93.5Very high15 Ų1548.6 Ų48.68%0.07928%0.279CS..Hα-helixtrans-64.7-44.5177.7-72.6-178.9000111.9V27 N28 S35 S36 I230 I298 M303V27-L32 HydrophobicContact CB-CD1 4.32Å; N28-L32 WeakPolarHBondContact O-CG 3.44Å; N28-L32 PolarHBondContact O-N 3.48Å; L32-S35 PolarHBondContact O-OG 3.02Å; L32-S36 VanDerWaalsContact O-CB 3.25Å; L32-S36 WeakPolarHBondContact O-CB 3.46Å; L32-S36 PolarHBondContact O-N 3.49Å; L32-S36 PolarHBondContact O-OG 3.39Å; L32-I230 HydrophobicContact CD1-CD1 4.01Å; L32-I230 HydrophobicContact CD1-CG1 4.18Å; L32-I298 HydrophobicContact CB-CD1 3.95Å; L32-I298 HydrophobicContact CB-CG1 4.47Å; L32-I298 WeakPolarHBondContact CD1-O 3.19Å; L32-I298 WeakPolarHBondContact CD2-O 3.27Å; L32-M303 HydrophobicContact CD2-SD 3.89Å
33V96.5Very high92.7Very high0 Ų051.6 Ų51.60%030%0.298CS..Hα-helixtrans-67.4-44.5177.1172.60000110.8P29 E30 S35 S36 L37 M72 A76 L148 L228 I298P29-V33 WeakPolarHBondContact O-CB 3.28Å; P29-V33 WeakPolarHBondContact O-CG2 3.45Å; P29-V33 PolarHBondContact O-N 2.8Å; E30-V33 PolarHBondContact O-N 2.83Å; V33-S35 PolarHBondContact O-N 3.35Å; V33-S36 PolarHBondContact O-N 3.4Å; V33-L37 HydrophobicContact CG1-CD1 3.77Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.86Å; V33-M72 WeakPolarHBondContact CG1-O 3.29Å; V33-M72 HydrophobicContact CG2-CB 3.84Å; V33-M72 HydrophobicContact CG2-CE 3.84Å; V33-M72 HydrophobicContact CG2-CG 3.94Å; V33-A76 HydrophobicContact CG1-CB 3.93Å; V33-L148 HydrophobicContact CG1-CD2 4.24Å; V33-L148 HydrophobicContact CG2-CD2 4.23Å; V33-L228 HydrophobicContact CG1-CD1 4.04Å; V33-L228 HydrophobicContact CG2-CD1 4.32Å; V33-I298 HydrophobicContact CG2-CD1 3.71Å
34Q95.6Very high92.3Very high87 Ų8753 Ų5341%0.40731%0.311SS..Hα-helixtrans-60.5-44.2179.7-173.3-175.46.900111.9E30 S31 S36 L37 S78E30-Q34 VanDerWaalsContact O-CB 3.28Å; E30-Q34 WeakPolarHBondContact O-CB 3.39Å; E30-Q34 PolarHBondContact O-N 3.32Å; S31-Q34 PolarHBondContact O-N 3.44Å; Q34-S36 VanDerWaalsContact C-N 3.3Å; Q34-S36 PolarHBondContact O-N 3.38Å; Q34-L37 PolarHBondContact O-N 2.96Å; Q34-S78 PolarHBondContact NE2-OG 2.71Å; Q34-S78 VanDerWaalsContact NE2-OG 3.07Å
35S95.3Very high92.3Very high84 Ų8457.9 Ų57.959%0.58733%0.329SS*.Hα-helixtrans-73.4-21.2178.658.10000113.7S31 L32 V33 L37S31-S35 WeakPolarHBondContact O-CB 3.35Å; S31-S35 PolarHBondContact O-N 3.17Å; S31-S35 PolarHBondContact O-OG 3.03Å; L32-S35 PolarHBondContact O-OG 3.02Å; V33-S35 PolarHBondContact O-N 3.35Å; S35-L37 VanDerWaalsContact C-N 3.35Å
36S96.5Very high92.4Very high11 Ų1152.6 Ų52.68%0.07730%0.301CS..Hα-helixtrans-81.1-13.8176.6-630000113.7L32 V33 Q34 V48 S49 I298L32-S36 VanDerWaalsContact O-CB 3.25Å; L32-S36 WeakPolarHBondContact O-CB 3.46Å; L32-S36 PolarHBondContact O-N 3.49Å; L32-S36 PolarHBondContact O-OG 3.39Å; V33-S36 PolarHBondContact O-N 3.4Å; Q34-S36 VanDerWaalsContact C-N 3.3Å; Q34-S36 PolarHBondContact O-N 3.38Å; S36-V48 WeakPolarHBondContact O-CA 3.49Å; S36-S49 PolarHBondContact O-N 2.8Å; S36-I298 VanDerWaalsContact OG-CG2 3.28Å; S36-I298 WeakPolarHBondContact OG-CG2 3.5Å
37L96.5Very high92.3Very high8 Ų852.9 Ų52.94%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-121.3116.8-175.1-61.1175.4000110.1V33 Q34 S35 L46 V48 A76 A79 L80 L146 L228V33-L37 HydrophobicContact CG1-CD1 3.77Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.86Å; Q34-L37 PolarHBondContact O-N 2.96Å; S35-L37 VanDerWaalsContact C-N 3.35Å; L37-L46 HydrophobicContact CB-CD1 4.32Å; L37-L46 HydrophobicContact CD2-CD1 4.17Å; L37-V48 HydrophobicContact CD2-CB 4.5Å; L37-V48 HydrophobicContact CD2-CG1 4.25Å; L37-V48 HydrophobicContact CD2-CG2 3.8Å; L37-A76 HydrophobicContact CD1-CB 4.35Å; L37-A79 HydrophobicContact CB-CB 3.66Å; L37-A79 HydrophobicContact CD1-CB 4.28Å; L37-L80 HydrophobicContact CD1-CD1 4.16Å; L37-L80 HydrophobicContact CD1-CG 4.19Å; L37-L146 HydrophobicContact CD1-CD2 3.88Å; L37-L146 HydrophobicContact CD2-CD1 4.34Å; L37-L228 HydrophobicContact CD1-CD1 4.2Å; L37-L228 HydrophobicContact CD2-CD1 3.98Å; L37-L228 HydrophobicContact CG-CD1 4Å
38S93.8Very high92.2Very high63 Ų6352.9 Ų52.944%0.44130%0.299SS..EExtended strand (participates in β ladder)trans-123.1128.8176.8-177.40000110.9I47S38-I47 PolarHBondContact N-O 2.84Å; S38-I47 PolarHBondContact O-N 3.43Å
39V93.3Very high92Very high52 Ų5254.1 Ų54.132%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-100.4122.1177.8177.80000109.6R45 L46 L56 A79 L80V39-R45 WeakPolarHBondContact CA-O 3.4Å; V39-L46 HydrophobicContact CG2-CD1 4.48Å; V39-L56 HydrophobicContact CB-CD2 4.29Å; V39-L56 HydrophobicContact CG1-CD2 3.64Å; V39-L56 HydrophobicContact CG2-CD2 3.76Å; V39-A79 WeakPolarHBondContact CG2-O 3.37Å; V39-L80 HydrophobicContact CG2-CD2 4.02Å
40K90.5Very high91.6Very high117 Ų11758.3 Ų58.351%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-95.1124.3167.5-73.2-173.5177.1161.20109.6P43 R45 I47K40-P43 VanDerWaalsContact O-O 3.12Å; K40-R45 HydrophobicContact CB-CB 4.43Å; K40-R45 PolarHBondContact N-O 2.89Å; K40-R45 PolarHBondContact O-N 3.07Å; K40-R45 VanDerWaalsContact O-N 3.1Å; K40-I47 HydrophobicContact CD-CD1 3.58Å; K40-I47 HydrophobicContact CG-CD1 3.88Å
41A80.9Confident91.3Very high79 Ų7957.4 Ų57.465%0.65335%0.353SS*.THydrogen-bonded Turntrans-79.3126.2170.500000109.6
42H79.9Confident90.9Very high177 Ų17760.4 Ų60.482%0.81936%0.355SS*.THydrogen-bonded Turntrans71.296.1172.6-49.8-64.3000117.5
43P81.3Confident90.7Very high91 Ų9162.7 Ų62.759%0.59137%0.367SS*.THydrogen-bonded Turncis-66.3154.3-12.829.9-34.1000110.4K40 R45K40-P43 VanDerWaalsContact O-O 3.12Å; P43-R45 HydrophobicContact CG-CG 4.28Å; P43-R45 PolarHBondContact O-N 2.87Å
44G88.8Confident90.6Very high28 Ų2863 Ų6329%0.28937%0.368SS..THydrogen-bonded Turntrans-57109.6175.400000110.2L56G44-L56 PolarHBondContact O-N 3.21Å
45R94.2Very high90.6Very high112 Ų11264.8 Ų64.842%0.42338%0.377SS..EExtended strand (participates in β ladder)trans-131135.8178.4-72.1-172.3175-143.6-1.5110.7V39 K40 P43 D53 Y54V39-R45 WeakPolarHBondContact CA-O 3.4Å; K40-R45 HydrophobicContact CB-CB 4.43Å; K40-R45 PolarHBondContact N-O 2.89Å; K40-R45 PolarHBondContact O-N 3.07Å; K40-R45 VanDerWaalsContact O-N 3.1Å; P43-R45 HydrophobicContact CG-CG 4.28Å; P43-R45 PolarHBondContact O-N 2.87Å; R45-D53 IonicContact NH1-OD2 2.73Å; R45-D53 PolarHBondContact NH1-OD2 2.79Å; R45-Y54 CarbonylContact C-O 3.59Å; R45-Y54 WeakPolarHBondContact CA-O 3.26Å
46L95.1Very high90.6Very high1 Ų161 Ų611%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-96.4117.1167.4175.557.8000108.7L37 V39 V48 D53 Y54 L56 L80 I144L37-L46 HydrophobicContact CB-CD1 4.32Å; L37-L46 HydrophobicContact CD2-CD1 4.17Å; V39-L46 HydrophobicContact CG2-CD1 4.48Å; L46-V48 HydrophobicContact CD1-CG2 4.36Å; L46-V48 HydrophobicContact CD2-CG2 4.09Å; L46-V48 HydrophobicContact CG-CG2 3.86Å; L46-D53 WeakPolarHBondContact O-CA 3.42Å; L46-Y54 PolarHBondContact N-O 3.13Å; L46-Y54 PolarHBondContact O-N 3.49Å; L46-L56 HydrophobicContact CB-CB 4.19Å; L46-L56 HydrophobicContact CB-CD1 4.13Å; L46-L56 HydrophobicContact CB-CD2 4.24Å; L46-L56 HydrophobicContact CB-CG 4.43Å; L46-L80 HydrophobicContact CD1-CD2 3.5Å; L46-L80 VanDerWaalsContact CD1-CD2 3.5Å; L46-L80 HydrophobicContact CD2-CD2 4.09Å; L46-L80 HydrophobicContact CG-CD2 4.38Å; L46-I144 HydrophobicContact CD2-CD1 4.38Å
47I94.4Very high90.5Very high37 Ų3766.1 Ų66.119%0.1938%0.377CS..EExtended strand (participates in β ladder)trans-96.4124.3169.7-55.7-177.8000107S38 K40S38-I47 PolarHBondContact N-O 2.84Å; S38-I47 PolarHBondContact O-N 3.43Å; K40-I47 HydrophobicContact CD-CD1 3.58Å; K40-I47 HydrophobicContact CG-CD1 3.88Å
48V93.7Very high90.4Very high1 Ų170.8 Ų70.81%0.00640%0.398CS..EExtended strand (participates in β ladder)trans-110.8126.1172.3-175.40000107.7S36 L37 L46 G50 C51 Y54 V226 L228S36-V48 WeakPolarHBondContact O-CA 3.49Å; L37-V48 HydrophobicContact CD2-CB 4.5Å; L37-V48 HydrophobicContact CD2-CG1 4.25Å; L37-V48 HydrophobicContact CD2-CG2 3.8Å; L46-V48 HydrophobicContact CD1-CG2 4.36Å; L46-V48 HydrophobicContact CD2-CG2 4.09Å; L46-V48 HydrophobicContact CG-CG2 3.86Å; V48-G50 PolarHBondContact O-N 2.84Å; V48-C51 HydrophobicContact CB-CB 3.94Å; V48-C51 HydrophobicContact CG1-CB 4.37Å; V48-C51 WeakPolarHBondContact O-CB 3.46Å; V48-C51 PolarHBondContact O-N 3.08Å; V48-Y54 HydrophobicContact CB-CE2 4.39Å; V48-Y54 HydrophobicContact CG2-CD2 4.12Å; V48-Y54 HydrophobicContact CG2-CE2 3.98Å; V48-V226 HydrophobicContact CB-CG1 4.39Å; V48-V226 HydrophobicContact CG1-CG1 3.82Å; V48-V226 HydrophobicContact CG2-CG1 4.15Å; V48-L228 HydrophobicContact CG1-CD2 3.82Å
49S88.8Confident90.6Very high63 Ų6368.4 Ų68.444%0.44138%0.38SS..THydrogen-bonded Turntrans-53.5125.2-179.9-67.70000111.1S36 C51S36-S49 PolarHBondContact O-N 2.8Å; S49-C51 VanDerWaalsContact C-N 3.32Å
50G84Confident90.8Very high87 Ų8765.9 Ų65.990%0.89737%0.365SS*.THydrogen-bonded Turntrans81.71.6-177.900000115.6V48V48-G50 PolarHBondContact O-N 2.84Å
51C87.4Confident91.2Very high32 Ų3262.3 Ų62.322%0.21635%0.348CS..SBendtrans-119.3175.8179.2-63.40000111.8V48 S49 Y54 S294 V296V48-C51 HydrophobicContact CB-CB 3.94Å; V48-C51 HydrophobicContact CG1-CB 4.37Å; V48-C51 WeakPolarHBondContact O-CB 3.46Å; V48-C51 PolarHBondContact O-N 3.08Å; S49-C51 VanDerWaalsContact C-N 3.32Å; C51-Y54 HydrophobicContact CB-CE2 4.13Å; C51-S294 VanDerWaalsContact SG-CB 3.53Å; C51-V296 WeakPolarHBondContact SG-CG2 3.42Å
52R87Confident92Very high123 Ų12358.5 Ų58.546%0.46432%0.317SS..  trans-72.7161165.866.4178.7-178.7-159.9-8.1111.2Y54 S291R52-Y54 HydrophobicContact CG-CE1 4.27Å; R52-Y54 HydrophobicContact CG-CE2 4.42Å; R52-Y54 VanDerWaalsContact O-CD2 3.23Å; R52-Y54 WeakPolarHBondContact O-CD2 3.44Å; R52-Y54 WeakPolarHBondContact O-CE2 3.49Å; R52-S291 VanDerWaalsContact CZ-O 3.23Å; R52-S291 PolarHBondContact NH1-O 3.46Å; R52-S291 PolarHBondContact NH2-O 3.32Å
53D92.2Very high92.9Very high64 Ų6450.1 Ų50.134%0.34228%0.278SS..  trans-67.3145.1168.7-62.71.6000110.9R45 L46R45-D53 IonicContact NH1-OD2 2.73Å; R45-D53 PolarHBondContact NH1-OD2 2.79Å; L46-D53 WeakPolarHBondContact O-CA 3.42Å
54Y94.2Very high93.6Very high6 Ų645.8 Ų45.82%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-116.5142.6172.7-54.7-94.4000110R45 L46 V48 C51 R52 L56 I144 K224 V226 S294R45-Y54 CarbonylContact C-O 3.59Å; R45-Y54 WeakPolarHBondContact CA-O 3.26Å; L46-Y54 PolarHBondContact N-O 3.13Å; L46-Y54 PolarHBondContact O-N 3.49Å; V48-Y54 HydrophobicContact CB-CE2 4.39Å; V48-Y54 HydrophobicContact CG2-CD2 4.12Å; V48-Y54 HydrophobicContact CG2-CE2 3.98Å; C51-Y54 HydrophobicContact CB-CE2 4.13Å; R52-Y54 HydrophobicContact CG-CE1 4.27Å; R52-Y54 HydrophobicContact CG-CE2 4.42Å; R52-Y54 VanDerWaalsContact O-CD2 3.23Å; R52-Y54 WeakPolarHBondContact O-CD2 3.44Å; R52-Y54 WeakPolarHBondContact O-CE2 3.49Å; Y54-L56 PolarHBondContact O-N 3.41Å; Y54-I144 HydrophobicContact CG-CD1 4.41Å; Y54-K224 HydrophobicContact CD1-CB 3.96Å; Y54-K224 HydrophobicContact CD1-CD 4.19Å; Y54-K224 HydrophobicContact CD1-CG 4.26Å; Y54-K224 HydrophobicContact CE1-CB 4.06Å; Y54-V226 HydrophobicContact CD2-CG2 4.33Å; Y54-V226 HydrophobicContact CE1-CG2 3.9Å; Y54-V226 HydrophobicContact CE2-CG2 3.61Å; Y54-V226 WeakPolarHBondContact OH-CG2 3.44Å; Y54-S294 PolarHBondContact OH-OG 2.83Å; Y54-S294 VanDerWaalsContact OH-OG 3.07Å
55E95Very high93.8Very high124 Ų12444.5 Ų44.558%0.57924%0.237SC*.EExtended strand (participates in β ladder)trans-67.7122.2171.5-175173.7175.200110N59 I144E55-N59 PolarHBondContact O-ND2 2.78Å; E55-I144 WeakPolarHBondContact O-CD1 3.28Å
56L94.9Very high93.5Very high6 Ų639.2 Ų39.23%0.03122%0.217CC..  trans-109.8114.3-174.3-172.966.9000109.6V39 G44 L46 Y54 V60 H83 I144V39-L56 HydrophobicContact CB-CD2 4.29Å; V39-L56 HydrophobicContact CG1-CD2 3.64Å; V39-L56 HydrophobicContact CG2-CD2 3.76Å; G44-L56 PolarHBondContact O-N 3.21Å; L46-L56 HydrophobicContact CB-CB 4.19Å; L46-L56 HydrophobicContact CB-CD1 4.13Å; L46-L56 HydrophobicContact CB-CD2 4.24Å; L46-L56 HydrophobicContact CB-CG 4.43Å; Y54-L56 PolarHBondContact O-N 3.41Å; L56-V60 HydrophobicContact CD1-CG2 3.42Å; L56-V60 VanDerWaalsContact CD1-CG2 3.42Å; L56-H83 HydrophobicContact CD1-CB 3.73Å; L56-H83 HydrophobicContact CD2-CB 4.26Å; L56-H83 VanDerWaalsContact CD2-CD2 3.4Å; L56-H83 WeakPolarHBondContact CD2-CD2 3.33Å; L56-H83 HydrophobicContact CG-CB 4.05Å; L56-I144 HydrophobicContact CD1-CD1 4.43Å
57N93.8Very high92.8Very high118 Ų11842 Ų4263%0.63123%0.229SC*.SBendtrans-149.959.2-175.5-173.127.5000111.8N59N57-N59 VanDerWaalsContact C-N 3.27Å; N57-N59 PolarHBondContact N-OD1 3.14Å; N57-N59 PolarHBondContact O-N 3.1Å
58H94.9Very high92.5Very high105 Ų10540.4 Ų40.449%0.48622%0.221SC..SBendtrans52.847.9-179.6-167.778000111.8N82 H83 V85H58-N82 PolarHBondContact CE1-O 3.27Å; H58-N82 PolarHBondContact ND1-O 3.48Å; H58-H83 PolarHBondContact N-ND1 3.4Å; H58-V85 VanDerWaalsContact C-CG2 3.46Å; H58-V85 WeakPolarHBondContact O-CG2 3.4Å
59N97.5Very high92.3Very high13 Ų1340.3 Ų40.37%0.0722%0.221CC..  trans-135.320.4-167.863.3-30.3000111.7E55 N57 H83 E142 I144E55-N59 PolarHBondContact O-ND2 2.78Å; N57-N59 VanDerWaalsContact C-N 3.27Å; N57-N59 PolarHBondContact N-OD1 3.14Å; N57-N59 PolarHBondContact O-N 3.1Å; N59-H83 PolarHBondContact N-O 2.78Å; N59-E142 PolarHBondContact ND2-O 2.84Å; N59-I144 PolarHBondContact O-N 3.45Å
60V98Very high92.4Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-97.4126.7179.8-173.90000110.9L56 L80 H83 I84 V85 I144 L146L56-V60 HydrophobicContact CD1-CG2 3.42Å; L56-V60 VanDerWaalsContact CD1-CG2 3.42Å; V60-L80 HydrophobicContact CB-CD1 4.46Å; V60-L80 HydrophobicContact CG1-CD1 3.84Å; V60-L80 HydrophobicContact CG2-CD1 4.47Å; V60-H83 WeakPolarHBondContact CB-O 3.19Å; V60-H83 HydrophobicContact CG2-CB 4.39Å; V60-H83 PolarHBondContact N-O 2.94Å; V60-H83 VanDerWaalsContact N-O 3.08Å; V60-I84 CarbonylContact O-C 3.48Å; V60-I84 WeakPolarHBondContact O-CA 3.46Å; V60-V85 PolarHBondContact O-N 3.4Å; V60-I144 CarbonylContact C-O 3.54Å; V60-I144 WeakPolarHBondContact CA-O 3.28Å; V60-I144 HydrophobicContact CG2-CB 4.3Å; V60-I144 HydrophobicContact CG2-CD1 4.32Å; V60-L146 HydrophobicContact CG1-CB 4.08Å
61Y98.6Very high92.7Very high41 Ų4134 Ų3416%0.16116%0.161CC..EExtended strand (participates in β ladder)trans-113.8142.7172.9-69-103.7000109.8V85 R86 M135 L139 D143 I144 L146Y61-V85 HydrophobicContact CD2-CB 4.42Å; Y61-V85 HydrophobicContact CE1-CB 4.09Å; Y61-V85 HydrophobicContact CE1-CG1 4Å; Y61-V85 HydrophobicContact CE2-CB 3.95Å; Y61-V85 HydrophobicContact CE2-CG1 4.29Å; Y61-V85 HydrophobicContact CE2-CG2 4.05Å; Y61-R86 CarbonylContact C-O 3.59Å; Y61-R86 VanDerWaalsContact CA-O 3.26Å; Y61-R86 WeakPolarHBondContact CA-O 3.37Å; Y61-R86 HydrophobicContact CD1-CB 3.84Å; Y61-R86 HydrophobicContact CE1-CB 3.91Å; Y61-M135 HydrophobicContact CD1-CG 4.26Å; Y61-M135 HydrophobicContact CD1-SD 4.15Å; Y61-L139 HydrophobicContact CD1-CD2 3.62Å; Y61-L139 HydrophobicContact CD2-CD2 3.47Å; Y61-L139 VanDerWaalsContact CD2-CD2 3.47Å; Y61-L139 HydrophobicContact CE1-CD2 3.64Å; Y61-L139 HydrophobicContact CE2-CD2 3.51Å; Y61-L139 HydrophobicContact CG-CD1 4.32Å; Y61-L139 HydrophobicContact CG-CD2 3.52Å; Y61-D143 HydrophobicContact CD2-CB 4.27Å; Y61-D143 HydrophobicContact CE2-CB 4.28Å; Y61-I144 PolarHBondContact N-O 3.31Å; Y61-L146 PolarHBondContact O-N 2.65Å
62I98.4Very high93.1Very high0 Ų032.4 Ų32.40%015%0.151CC..EExtended strand (participates in β ladder)trans-114.4129.1-177.1-63.4179.4000110.9A64 A76 I84 R86 G87 V88 I110 L146 L148I62-A64 HydrophobicContact CG2-CB 4.16Å; I62-A76 HydrophobicContact CD1-CB 3.81Å; I62-I84 HydrophobicContact CD1-CD1 3.61Å; I62-I84 HydrophobicContact CD1-CG1 3.9Å; I62-I84 HydrophobicContact CD1-CG2 4.02Å; I62-I84 HydrophobicContact CG1-CG2 4.32Å; I62-R86 PolarHBondContact N-O 2.97Å; I62-G87 CarbonylContact O-C 3.5Å; I62-G87 WeakPolarHBondContact O-CA 3.48Å; I62-V88 PolarHBondContact O-N 3.08Å; I62-I110 HydrophobicContact CD1-CD1 4.03Å; I62-L146 WeakPolarHBondContact CA-O 3.39Å; I62-L146 HydrophobicContact CD1-CD2 4.48Å; I62-L146 HydrophobicContact CG1-CB 4.36Å; I62-L146 HydrophobicContact CG1-CD2 4.31Å; I62-L148 HydrophobicContact CG2-CD1 3.9Å; I62-L148 HydrophobicContact CG2-CG 4.35Å
63V98Very high93.5Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-118.1112.3162.3171.60000107.4F65 V88 V132 M135 V136 L145 L146 V147 L148V63-F65 HydrophobicContact CG1-CD1 4.05Å; V63-F65 HydrophobicContact CG1-CE1 4.22Å; V63-V88 WeakPolarHBondContact CA-O 3.38Å; V63-V132 HydrophobicContact CG1-CG1 3.82Å; V63-V132 HydrophobicContact CG1-CG2 4.08Å; V63-V132 HydrophobicContact CG2-CG1 3.87Å; V63-V132 HydrophobicContact CG2-CG2 4.44Å; V63-M135 HydrophobicContact CG2-CE 3.4Å; V63-V136 HydrophobicContact CG2-CG1 3.98Å; V63-L145 HydrophobicContact CB-CD1 4.42Å; V63-L145 HydrophobicContact CG2-CD1 3.82Å; V63-L146 PolarHBondContact N-O 2.94Å; V63-V147 CarbonylContact O-C 3.1Å; V63-V147 VanDerWaalsContact O-CA 3.29Å; V63-V147 WeakPolarHBondContact O-CA 3.5Å; V63-L148 PolarHBondContact O-N 3.37Å
64A96.2Very high93.6Very high1 Ų124.2 Ų24.21%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-118.1137.9-179.600000110.9I62 A69 C73 V88 A89 S90 L148I62-A64 HydrophobicContact CG2-CB 4.16Å; A64-A69 HydrophobicContact CB-CB 3.95Å; A64-C73 WeakPolarHBondContact CB-SG 3.43Å; A64-V88 PolarHBondContact N-O 3.38Å; A64-A89 HydrophobicContact CB-CB 4.08Å; A64-A89 CarbonylContact O-C 3.55Å; A64-A89 VanDerWaalsContact O-CA 3.27Å; A64-A89 WeakPolarHBondContact O-CA 3.33Å; A64-S90 PolarHBondContact O-N 3.29Å; A64-L148 CarbonylContact C-O 3.47Å; A64-L148 VanDerWaalsContact CA-O 3.3Å; A64-L148 WeakPolarHBondContact CA-O 3.39Å; A64-L148 HydrophobicContact CB-CB 3.83Å; A64-L148 HydrophobicContact CB-CD1 4.29Å; A64-L148 HydrophobicContact CB-CG 4.5Å
65F93.5Very high93.6Very high1 Ų124 Ų240%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-156.3145176.555.6-81000112.7V63 S90 V147 L148 V149 S150 L171 L172 A242 P245V63-F65 HydrophobicContact CG1-CD1 4.05Å; V63-F65 HydrophobicContact CG1-CE1 4.22Å; F65-S90 VanDerWaalsContact CA-O 3.29Å; F65-S90 WeakPolarHBondContact CA-O 3.34Å; F65-V147 HydrophobicContact CE1-CG1 3.68Å; F65-V147 HydrophobicContact CZ-CG1 4.27Å; F65-L148 PolarHBondContact N-O 2.69Å; F65-V149 HydrophobicContact CD2-CG1 4.44Å; F65-V149 HydrophobicContact CE1-CG2 3.83Å; F65-V149 HydrophobicContact CE2-CB 4.31Å; F65-V149 HydrophobicContact CE2-CG1 3.63Å; F65-V149 HydrophobicContact CE2-CG2 4.08Å; F65-V149 HydrophobicContact CZ-CB 4.08Å; F65-V149 HydrophobicContact CZ-CG1 3.83Å; F65-V149 HydrophobicContact CZ-CG2 3.36Å; F65-S150 PolarHBondContact O-N 3.13Å; F65-L171 HydrophobicContact CB-CB 4.39Å; F65-L172 HydrophobicContact CB-CD1 4.1Å; F65-L172 HydrophobicContact CB-CG 3.89Å; F65-L172 HydrophobicContact CD1-CD1 3.21Å; F65-L172 HydrophobicContact CD1-CG 3.98Å; F65-L172 HydrophobicContact CD2-CD1 3.73Å; F65-L172 HydrophobicContact CD2-CG 4.04Å; F65-L172 HydrophobicContact CE1-CD1 3.42Å; F65-L172 VanDerWaalsContact CE1-CD1 3.42Å; F65-L172 HydrophobicContact CE2-CD1 3.91Å; F65-L172 HydrophobicContact CG-CD1 3.39Å; F65-L172 HydrophobicContact CG-CG 3.69Å; F65-L172 HydrophobicContact CZ-CD1 3.79Å; F65-A242 HydrophobicContact CD2-CB 4.31Å; F65-A242 HydrophobicContact CE2-CB 3.69Å; F65-P245 HydrophobicContact CE1-CG 4.36Å; F65-P245 HydrophobicContact CE2-CG 3.89Å; F65-P245 HydrophobicContact CZ-CB 4.48Å; F65-P245 HydrophobicContact CZ-CG 3.37Å
66G88.3Confident93.7Very high0 Ų018 Ų180%09%0.086CC..SBendtrans122.5176.7-175.700000113.2A68 A69 S90 S150 L171G66-A68 PolarHBondContact O-N 2.68Å; G66-A69 WeakPolarHBondContact O-CB 3.34Å; G66-A69 PolarHBondContact O-N 2.98Å; G66-S90 PolarHBondContact N-O 3.44Å; G66-S150 VanDerWaalsContact C-OG 3.29Å; G66-S150 WeakPolarHBondContact CA-O 3.38Å; G66-S150 VanDerWaalsContact CA-OG 3.27Å; G66-S150 WeakPolarHBondContact CA-OG 3.45Å; G66-L171 VanDerWaalsContact CA-CD1 3.45Å
67K79.6Confident93.7Very high61 Ų6119.4 Ų19.427%0.26510%0.095SC..THydrogen-bonded Turntrans-58.7-35.4179.5-85176.6168.8174.20112.8P92 S150 M152 D445K67-P92 HydrophobicContact CG-CG 4.23Å; K67-S150 PolarHBondContact N-OG 3.43Å; K67-M152 HydrophobicContact CD-CG 3.57Å; K67-M152 HydrophobicContact CD-SD 3.45Å; K67-M152 WeakPolarHBondContact CD-SD 3.31Å; K67-M152 WeakPolarHBondContact CE-SD 3.25Å; K67-M152 HydrophobicContact CG-CG 3.94Å; K67-M152 HydrophobicContact CG-SD 3.48Å; K67-M152 WeakPolarHBondContact CG-SD 3.36Å; K67-D445 IonicContact NZ-OD2 3.57Å; K67-D445 PolarHBondContact NZ-OD2 3.3Å
68A88.1Confident93.7Very high2 Ų217 Ų172%0.0179%0.087CC..THydrogen-bonded Turntrans-95.84.2-177.400000114P29 G66 L70 S71 M72 S150 E500P29-A68 HydrophobicContact CB-CB 3.82Å; P29-A68 HydrophobicContact CG-CB 3.5Å; P29-A68 VanDerWaalsContact CG-CB 3.5Å; G66-A68 PolarHBondContact O-N 2.68Å; A68-L70 PolarHBondContact O-N 3.2Å; A68-L70 VanDerWaalsContact O-N 3.13Å; A68-S71 PolarHBondContact O-N 3.06Å; A68-M72 HydrophobicContact CB-CG 4.35Å; A68-M72 WeakPolarHBondContact O-CG 3.36Å; A68-M72 PolarHBondContact O-N 2.96Å; A68-S150 PolarHBondContact N-OG 3.14Å; A68-E500 WeakPolarHBondContact CB-O 3.33Å
69A91Very high93.7Very high0 Ų013.1 Ų13.10%07%0.073CC..Hα-helixtrans-56.8-35.1-172.200000113.5A64 G66 C73 V91A64-A69 HydrophobicContact CB-CB 3.95Å; G66-A69 WeakPolarHBondContact O-CB 3.34Å; G66-A69 PolarHBondContact O-N 2.98Å; A69-C73 WeakPolarHBondContact O-CB 3.25Å; A69-C73 PolarHBondContact O-N 3.33Å; A69-C73 PolarHBondContact O-SG 3.09Å; A69-V91 HydrophobicContact CB-CG1 3.81Å
70L90.2Very high93.7Very high15 Ų1512.7 Ų12.78%0.0797%0.071CC..Hα-helixtrans-62.1-50173.9-76.1178.8000112.6A68 C73 R74 V91 A95 L106 V112A68-L70 PolarHBondContact O-N 3.2Å; A68-L70 VanDerWaalsContact O-N 3.13Å; L70-C73 WeakPolarHBondContact O-CB 3.39Å; L70-C73 PolarHBondContact O-N 2.87Å; L70-R74 PolarHBondContact O-N 3.06Å; L70-V91 HydrophobicContact CD1-CG1 4.47Å; L70-V91 HydrophobicContact CD2-CG1 4.17Å; L70-V91 HydrophobicContact CG-CG1 3.71Å; L70-A95 HydrophobicContact CD1-CB 3.99Å; L70-A95 WeakPolarHBondContact CD1-O 3.35Å; L70-L106 HydrophobicContact CD2-CD1 3.91Å; L70-V112 HydrophobicContact CD2-CB 4.35Å; L70-V112 HydrophobicContact CD2-CG1 3.64Å; L70-V112 HydrophobicContact CD2-CG2 3.71Å
71S90.8Very high93.4Very high1 Ų114 Ų141%0.0078%0.084CC..Hα-helixtrans-64.3-42.8-179.8-170.80000110.8E30 A68 C73 R74 G75 E500E30-S71 VanDerWaalsContact CA-O 3.29Å; E30-S71 WeakPolarHBondContact CA-O 3.26Å; E30-S71 WeakPolarHBondContact CB-O 3.13Å; E30-S71 WeakPolarHBondContact CB-OG 3.33Å; E30-S71 PolarHBondContact N-OG 2.87Å; A68-S71 PolarHBondContact O-N 3.06Å; S71-C73 PolarHBondContact O-N 3.3Å; S71-R74 WeakPolarHBondContact O-CB 3.4Å; S71-R74 PolarHBondContact O-N 3.49Å; S71-R74 VanDerWaalsContact O-N 3.16Å; S71-G75 PolarHBondContact O-N 3.4Å; S71-E500 PolarHBondContact OG-OE2 3.47Å
72M94.3Very high93.2Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-59.7-43.5172.7-65.5-178.185.600112.3P29 V33 A68 R74 G75 A76 L148 L228 I230 I298P29-M72 HydrophobicContact CB-CG 3.64Å; V33-M72 WeakPolarHBondContact CG1-O 3.29Å; V33-M72 HydrophobicContact CG2-CB 3.84Å; V33-M72 HydrophobicContact CG2-CE 3.84Å; V33-M72 HydrophobicContact CG2-CG 3.94Å; A68-M72 HydrophobicContact CB-CG 4.35Å; A68-M72 WeakPolarHBondContact O-CG 3.36Å; A68-M72 PolarHBondContact O-N 2.96Å; M72-R74 VanDerWaalsContact C-N 3.33Å; M72-R74 PolarHBondContact O-N 2.98Å; M72-G75 PolarHBondContact O-N 3.25Å; M72-A76 PolarHBondContact O-N 3.42Å; M72-L148 HydrophobicContact CB-CB 4.05Å; M72-L148 HydrophobicContact CB-CD1 3.99Å; M72-L148 HydrophobicContact CB-CG 4.48Å; M72-L148 HydrophobicContact CE-CB 3.93Å; M72-L148 HydrophobicContact CE-CD2 4.34Å; M72-L148 HydrophobicContact SD-CB 4.19Å; M72-L228 WeakPolarHBondContact CE-O 3.41Å; M72-I230 HydrophobicContact CE-CD1 4.16Å; M72-I230 HydrophobicContact CE-CG1 4.2Å; M72-I230 HydrophobicContact CG-CD1 4.27Å; M72-I230 HydrophobicContact SD-CD1 4.19Å; M72-I298 HydrophobicContact CE-CD1 4.19Å
73C95.4Very high93Very high0 Ų020.3 Ų20.30%012%0.119CC..Hα-helixtrans-60.8-39.6175.3-810000112.2A64 A69 L70 S71 A76 V77 L106A64-C73 WeakPolarHBondContact CB-SG 3.43Å; A69-C73 WeakPolarHBondContact O-CB 3.25Å; A69-C73 PolarHBondContact O-N 3.33Å; A69-C73 PolarHBondContact O-SG 3.09Å; L70-C73 WeakPolarHBondContact O-CB 3.39Å; L70-C73 PolarHBondContact O-N 2.87Å; S71-C73 PolarHBondContact O-N 3.3Å; C73-A76 PolarHBondContact O-N 3.24Å; C73-V77 VanDerWaalsContact O-CG2 3.28Å; C73-V77 WeakPolarHBondContact O-CG2 3.35Å; C73-V77 PolarHBondContact O-N 3.26Å; C73-L106 HydrophobicContact CB-CD1 3.7Å; C73-L106 HydrophobicContact CB-CD2 3.7Å; C73-L106 HydrophobicContact CB-CG 4.39Å
74R94.1Very high93Very high15 Ų1520.3 Ų20.36%0.05712%0.119CC..Hα-helixtrans-62-44.4175.4-73.1-170.9-70-94.46.9111.5E30 L70 S71 M72 A76 V77 S78 S99 L106 E500E30-R74 HydrophobicContact CG-CB 4.09Å; E30-R74 WeakPolarHBondContact OE2-CD 3.39Å; E30-R74 IonicContact OE2-CZ 3.39Å; E30-R74 IonicContact OE2-NE 2.82Å; E30-R74 PolarHBondContact OE2-NE 2.92Å; L70-R74 PolarHBondContact O-N 3.06Å; S71-R74 WeakPolarHBondContact O-CB 3.4Å; S71-R74 PolarHBondContact O-N 3.49Å; S71-R74 VanDerWaalsContact O-N 3.16Å; M72-R74 VanDerWaalsContact C-N 3.33Å; M72-R74 PolarHBondContact O-N 2.98Å; R74-A76 VanDerWaalsContact C-N 3.31Å; R74-A76 PolarHBondContact O-N 2.92Å; R74-V77 PolarHBondContact O-N 3.45Å; R74-S78 WeakPolarHBondContact O-CB 3.28Å; R74-S78 PolarHBondContact O-N 3.29Å; R74-S99 PolarHBondContact NH1-OG 3.41Å; R74-L106 HydrophobicContact CB-CD2 4.45Å; R74-L106 HydrophobicContact CG-CD2 3.78Å; R74-E500 IonicContact CZ-OE2 4Å; R74-E500 IonicContact NH2-OE1 3.2Å; R74-E500 PolarHBondContact NH2-OE1 2.93Å; R74-E500 IonicContact NH2-OE2 3.9Å; R74-E500 PolarHBondContact NH2-OE2 2.98Å
75G95.1Very high93.1Very high0 Ų022.2 Ų22.20%013%0.131CC..Hα-helixtrans-58.3-43.5174.700000112.2E30 S71 M72 S78 A79E30-G75 WeakPolarHBondContact O-CA 3.31Å; S71-G75 PolarHBondContact O-N 3.4Å; M72-G75 PolarHBondContact O-N 3.25Å; G75-S78 PolarHBondContact O-N 3.29Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 2.88Å
76A96.8Very high93.3Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-65.6-41.1176.700000112.5V33 L37 I62 M72 C73 R74 A79 L80 L146 L148V33-A76 HydrophobicContact CG1-CB 3.93Å; L37-A76 HydrophobicContact CD1-CB 4.35Å; I62-A76 HydrophobicContact CD1-CB 3.81Å; M72-A76 PolarHBondContact O-N 3.42Å; C73-A76 PolarHBondContact O-N 3.24Å; R74-A76 VanDerWaalsContact C-N 3.31Å; R74-A76 PolarHBondContact O-N 2.92Å; A76-A79 PolarHBondContact O-N 3.05Å; A76-L80 VanDerWaalsContact O-CB 3.27Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 3.16Å; A76-L146 HydrophobicContact CB-CD2 3.98Å; A76-L148 HydrophobicContact CB-CD1 3.96Å
77V95.9Very high93.7Very high34 Ų3427.8 Ų27.821%0.20615%0.151CC..Hα-helixtrans-63.4-43175.5169.80000111.2C73 R74 A79 G81 I84 L106 P107 I110C73-V77 VanDerWaalsContact O-CG2 3.28Å; C73-V77 WeakPolarHBondContact O-CG2 3.35Å; C73-V77 PolarHBondContact O-N 3.26Å; R74-V77 PolarHBondContact O-N 3.45Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-A79 PolarHBondContact O-N 3.07Å; V77-G81 VanDerWaalsContact O-CA 3.26Å; V77-G81 WeakPolarHBondContact O-CA 3.13Å; V77-G81 PolarHBondContact O-N 2.89Å; V77-I84 HydrophobicContact CB-CD1 4.41Å; V77-I84 HydrophobicContact CG2-CD1 3.87Å; V77-L106 HydrophobicContact CG2-CD2 4.03Å; V77-P107 HydrophobicContact CG1-CG 4.27Å; V77-P107 HydrophobicContact CG2-CG 3.95Å; V77-I110 HydrophobicContact CG2-CD1 3.41Å; V77-I110 VanDerWaalsContact CG2-CD1 3.41Å
78S94.2Very high94.6Very high68 Ų6824.9 Ų24.948%0.47614%0.139SC..Hα-helixtrans-60.8-42.8176.9-173.90000111.7Q34 R74 G75Q34-S78 PolarHBondContact NE2-OG 2.71Å; Q34-S78 VanDerWaalsContact NE2-OG 3.07Å; R74-S78 WeakPolarHBondContact O-CB 3.28Å; R74-S78 PolarHBondContact O-N 3.29Å; G75-S78 PolarHBondContact O-N 3.29Å
79A95Very high94.9Very high23 Ų2324.8 Ų24.819%0.1914%0.138CC..Hα-helixtrans-77.9-41.6-178.800000114.3L37 V39 G75 A76 V77L37-A79 HydrophobicContact CB-CB 3.66Å; L37-A79 HydrophobicContact CD1-CB 4.28Å; V39-A79 WeakPolarHBondContact CG2-O 3.37Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 2.88Å; A76-A79 PolarHBondContact O-N 3.05Å; V77-A79 VanDerWaalsContact C-N 3.34Å; V77-A79 PolarHBondContact O-N 3.07Å
80L95.4Very high95.1Very high4 Ų424.9 Ų24.92%0.02114%0.139CC..Hα-helixtrans-101.8-20.2-169.4-58.9176.6000113.6L37 V39 L46 V60 A76 N82 H83 I84 L146L37-L80 HydrophobicContact CD1-CD1 4.16Å; L37-L80 HydrophobicContact CD1-CG 4.19Å; V39-L80 HydrophobicContact CG2-CD2 4.02Å; L46-L80 HydrophobicContact CD1-CD2 3.5Å; L46-L80 VanDerWaalsContact CD1-CD2 3.5Å; L46-L80 HydrophobicContact CD2-CD2 4.09Å; L46-L80 HydrophobicContact CG-CD2 4.38Å; V60-L80 HydrophobicContact CB-CD1 4.46Å; V60-L80 HydrophobicContact CG1-CD1 3.84Å; V60-L80 HydrophobicContact CG2-CD1 4.47Å; A76-L80 VanDerWaalsContact O-CB 3.27Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 3.16Å; L80-N82 PolarHBondContact O-N 3.02Å; L80-H83 WeakPolarHBondContact O-CB 3.36Å; L80-H83 PolarHBondContact O-CD2 3.3Å; L80-H83 VanDerWaalsContact O-CD2 3.31Å; L80-H83 PolarHBondContact O-N 2.85Å; L80-I84 HydrophobicContact CB-CD1 4.07Å; L80-I84 HydrophobicContact CB-CG1 3.87Å; L80-I84 HydrophobicContact CD1-CG1 4.14Å; L80-L146 HydrophobicContact CD1-CD2 3.88Å
81G93.3Very high95Very high27 Ų2724.1 Ų24.128%0.27814%0.135SC..G310 helixtrans47.5-123.6179.900000112.2V77 H83 I84 R109V77-G81 VanDerWaalsContact O-CA 3.26Å; V77-G81 WeakPolarHBondContact O-CA 3.13Å; V77-G81 PolarHBondContact O-N 2.89Å; G81-H83 PolarHBondContact O-N 3.14Å; G81-I84 PolarHBondContact O-N 2.81Å; G81-R109 VanDerWaalsContact C-NH2 3.28Å; G81-R109 PolarHBondContact O-NH2 3.31Å
82N93Very high94.8Very high118 Ų11824.5 Ų24.563%0.63114%0.137SC*.G310 helixtrans-72.9-2.3-176.5-71.5-25000114.6H58 L80 I84 R109H58-N82 PolarHBondContact CE1-O 3.27Å; H58-N82 PolarHBondContact ND1-O 3.48Å; L80-N82 PolarHBondContact O-N 3.02Å; N82-I84 PolarHBondContact O-N 2.67Å; N82-R109 PolarHBondContact OD1-NH1 2.8Å; N82-R109 VanDerWaalsContact OD1-NH1 3.14Å; N82-R109 PolarHBondContact OD1-NH2 2.92Å
83H95.8Very high94.4Very high56 Ų5627.2 Ų27.226%0.25915%0.154SC..G310 helixtrans-75.4-14.9174.2-65.3-68.6000113.7L56 H58 N59 V60 L80 G81 V85L56-H83 HydrophobicContact CD1-CB 3.73Å; L56-H83 HydrophobicContact CD2-CB 4.26Å; L56-H83 VanDerWaalsContact CD2-CD2 3.4Å; L56-H83 WeakPolarHBondContact CD2-CD2 3.33Å; L56-H83 HydrophobicContact CG-CB 4.05Å; H58-H83 PolarHBondContact N-ND1 3.4Å; N59-H83 PolarHBondContact N-O 2.78Å; V60-H83 WeakPolarHBondContact CB-O 3.19Å; V60-H83 HydrophobicContact CG2-CB 4.39Å; V60-H83 PolarHBondContact N-O 2.94Å; V60-H83 VanDerWaalsContact N-O 3.08Å; L80-H83 WeakPolarHBondContact O-CB 3.36Å; L80-H83 PolarHBondContact O-CD2 3.3Å; L80-H83 VanDerWaalsContact O-CD2 3.31Å; L80-H83 PolarHBondContact O-N 2.85Å; G81-H83 PolarHBondContact O-N 3.14Å; H83-V85 PolarHBondContact O-N 2.85Å
84I97.3Very high93.8Very high0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-72.9121.3172.4-59.5164.4000108.3V60 I62 V77 L80 G81 N82 R109 I110V60-I84 CarbonylContact O-C 3.48Å; V60-I84 WeakPolarHBondContact O-CA 3.46Å; I62-I84 HydrophobicContact CD1-CD1 3.61Å; I62-I84 HydrophobicContact CD1-CG1 3.9Å; I62-I84 HydrophobicContact CD1-CG2 4.02Å; I62-I84 HydrophobicContact CG1-CG2 4.32Å; V77-I84 HydrophobicContact CB-CD1 4.41Å; V77-I84 HydrophobicContact CG2-CD1 3.87Å; L80-I84 HydrophobicContact CB-CD1 4.07Å; L80-I84 HydrophobicContact CB-CG1 3.87Å; L80-I84 HydrophobicContact CD1-CG1 4.14Å; G81-I84 PolarHBondContact O-N 2.81Å; N82-I84 PolarHBondContact O-N 2.67Å; I84-R109 HydrophobicContact CG2-CG 4.41Å; I84-R109 WeakPolarHBondContact O-CD 3.46Å; I84-R109 PolarHBondContact O-NE 3.13Å; I84-I110 HydrophobicContact CD1-CD1 4.4Å; I84-I110 HydrophobicContact CG2-CD1 4.37Å; I84-I110 HydrophobicContact CG2-CG1 4.24Å
85V97.7Very high93.2Very high42 Ų4227.8 Ų27.826%0.25516%0.164SC..EExtended strand (participates in β ladder)trans-87.1-51.8177.2-176.10000110.3H58 V60 Y61 H83H58-V85 VanDerWaalsContact C-CG2 3.46Å; H58-V85 WeakPolarHBondContact O-CG2 3.4Å; V60-V85 PolarHBondContact O-N 3.4Å; Y61-V85 HydrophobicContact CD2-CB 4.42Å; Y61-V85 HydrophobicContact CE1-CB 4.09Å; Y61-V85 HydrophobicContact CE1-CG1 4Å; Y61-V85 HydrophobicContact CE2-CB 3.95Å; Y61-V85 HydrophobicContact CE2-CG1 4.29Å; Y61-V85 HydrophobicContact CE2-CG2 4.05Å; H83-V85 PolarHBondContact O-N 2.85Å
86R97.6Very high92.7Very high117 Ų11730.7 Ų30.744%0.44218%0.178SC..EExtended strand (participates in β ladder)trans-154.5151.1-178.2-173.1176176.5-177.8-2.7110.7Y61 I62 R109 M135Y61-R86 CarbonylContact C-O 3.59Å; Y61-R86 VanDerWaalsContact CA-O 3.26Å; Y61-R86 WeakPolarHBondContact CA-O 3.37Å; Y61-R86 HydrophobicContact CD1-CB 3.84Å; Y61-R86 HydrophobicContact CE1-CB 3.91Å; I62-R86 PolarHBondContact N-O 2.97Å; R86-R109 CarbonylContact C-O 3.49Å; R86-R109 WeakPolarHBondContact CA-O 3.28Å; R86-M135 HydrophobicContact CB-SD 4.38Å; R86-M135 HydrophobicContact CG-SD 3.97Å
87G97.8Very high91.8Very high0 Ų034 Ų340%021%0.205CC..EExtended strand (participates in β ladder)trans-146.1155.2172.100000114.2I62 R109 I110 T111I62-G87 CarbonylContact O-C 3.5Å; I62-G87 WeakPolarHBondContact O-CA 3.48Å; G87-R109 PolarHBondContact N-O 3.02Å; G87-I110 WeakPolarHBondContact O-CA 3.33Å; G87-T111 PolarHBondContact O-N 3.28Å; G87-T111 PolarHBondContact O-OG1 3.07Å
88V97.6Very high90.7Very high1 Ų137.9 Ų37.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-127.9122.5172.2-177.80000108.1I62 V63 A64 T111 T128 V132 M135I62-V88 PolarHBondContact O-N 3.08Å; V63-V88 WeakPolarHBondContact CA-O 3.38Å; A64-V88 PolarHBondContact N-O 3.38Å; V88-T111 WeakPolarHBondContact CA-O 3.42Å; V88-T128 HydrophobicContact CG1-CG2 3.89Å; V88-V132 HydrophobicContact CB-CG2 4.06Å; V88-V132 HydrophobicContact CG1-CG2 3.79Å; V88-M135 HydrophobicContact CG2-CE 4.21Å; V88-M135 HydrophobicContact CG2-SD 3.96Å
89A95.3Very high89.5Confident0 Ų035.3 Ų35.30%020%0.198CC..EExtended strand (participates in β ladder)trans-114.3122.5176.400000110.3A64 T111 V112 H113A64-A89 HydrophobicContact CB-CB 4.08Å; A64-A89 CarbonylContact O-C 3.55Å; A64-A89 VanDerWaalsContact O-CA 3.27Å; A64-A89 WeakPolarHBondContact O-CA 3.33Å; A89-T111 PolarHBondContact N-O 3.45Å; A89-V112 HydrophobicContact CB-CG2 4.31Å; A89-V112 WeakPolarHBondContact O-CA 3.46Å; A89-H113 PolarHBondContact O-N 3.14Å
90S94.2Very high87.7Confident1 Ų138.5 Ų38.51%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-103115.1173.5-170.10000110.8A64 F65 G66 L171A64-S90 PolarHBondContact O-N 3.29Å; F65-S90 VanDerWaalsContact CA-O 3.29Å; F65-S90 WeakPolarHBondContact CA-O 3.34Å; G66-S90 PolarHBondContact N-O 3.44Å; S90-L171 PolarHBondContact OG-O 3.39Å
91V89.6Confident85.6Confident0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-127.3152.8-170.3-62.60000110.5A69 L70 A95 V112 H113 E114 G115 L171A69-V91 HydrophobicContact CB-CG1 3.81Å; L70-V91 HydrophobicContact CD1-CG1 4.47Å; L70-V91 HydrophobicContact CD2-CG1 4.17Å; L70-V91 HydrophobicContact CG-CG1 3.71Å; V91-A95 HydrophobicContact CB-CB 3.75Å; V91-A95 HydrophobicContact CG2-CB 3.81Å; V91-V112 HydrophobicContact CG1-CG1 4.28Å; V91-V112 HydrophobicContact CG2-CG1 3.55Å; V91-H113 WeakPolarHBondContact CG2-O 3.35Å; V91-H113 PolarHBondContact N-O 3.03Å; V91-E114 HydrophobicContact CG2-CG 4Å; V91-E114 WeakPolarHBondContact O-CA 3.41Å; V91-G115 PolarHBondContact O-N 2.93Å; V91-L171 WeakPolarHBondContact O-CD2 3.13Å
92P85.1Confident83.7Confident9 Ų948.1 Ų48.16%0.05825%0.254CS..EExtended strand (participates in β ladder)trans-65.9148.5-179.925.8-32.3000111.5K67 G94 A95 G115K67-P92 HydrophobicContact CG-CG 4.23Å; P92-G94 PolarHBondContact O-N 3.39Å; P92-A95 HydrophobicContact CG-CB 4.21Å; P92-A95 WeakPolarHBondContact O-CB 3.4Å; P92-A95 PolarHBondContact O-N 3.34Å; P92-G115 CarbonylContact C-O 3.55Å; P92-G115 VanDerWaalsContact CA-O 3.26Å; P92-G115 WeakPolarHBondContact CA-O 3.35Å
93V85.6Confident81.7Confident57 Ų5751.3 Ų51.335%0.34526%0.262SS..THydrogen-bonded Turntrans-47.2132.1176.3178.80000112.1A95 R98 G115 Y117V93-A95 VanDerWaalsContact C-N 3.33Å; V93-R98 PolarHBondContact O-NH1 2.8Å; V93-R98 PolarHBondContact O-NH2 3.4Å; V93-G115 WeakPolarHBondContact CG2-O 3.37Å; V93-G115 PolarHBondContact N-O 2.67Å; V93-Y117 HydrophobicContact CB-CD2 4.31Å; V93-Y117 HydrophobicContact CG1-CD2 4.19Å; V93-Y117 HydrophobicContact CG2-CD2 4.36Å
94G83Confident80Confident18 Ų1855.2 Ų55.219%0.18628%0.28CS..THydrogen-bonded Turntrans80.9-0.2-17600000115.2P92 I96 A97 R98 E114P92-G94 PolarHBondContact O-N 3.39Å; G94-I96 VanDerWaalsContact C-N 3.29Å; G94-I96 PolarHBondContact O-N 3.07Å; G94-A97 PolarHBondContact O-N 3.35Å; G94-R98 WeakPolarHBondContact O-CB 3.49Å; G94-R98 WeakPolarHBondContact O-CG 3.11Å; G94-R98 PolarHBondContact O-N 2.82Å; G94-R98 PolarHBondContact O-NE 2.97Å; G94-E114 VanDerWaalsContact CA-OE1 3.3Å; G94-E114 WeakPolarHBondContact CA-OE1 3.3Å; G94-E114 PolarHBondContact N-OE1 3.37Å; G94-E114 VanDerWaalsContact N-OE1 3.09Å; G94-E114 PolarHBondContact N-OE2 2.88Å
95A81.9Confident78.8Confident9 Ų963.6 Ų63.67%0.07432%0.317CS..Hα-helixtrans-60.7-37.7178.600000112.3L70 V91 P92 V93 R98 S99 E114L70-A95 HydrophobicContact CD1-CB 3.99Å; L70-A95 WeakPolarHBondContact CD1-O 3.35Å; V91-A95 HydrophobicContact CB-CB 3.75Å; V91-A95 HydrophobicContact CG2-CB 3.81Å; P92-A95 HydrophobicContact CG-CB 4.21Å; P92-A95 WeakPolarHBondContact O-CB 3.4Å; P92-A95 PolarHBondContact O-N 3.34Å; V93-A95 VanDerWaalsContact C-N 3.33Å; A95-R98 PolarHBondContact O-N 2.82Å; A95-S99 VanDerWaalsContact O-CB 3.31Å; A95-S99 WeakPolarHBondContact O-CB 3.08Å; A95-S99 PolarHBondContact O-N 2.81Å; A95-E114 PolarHBondContact N-OE1 3.44Å
96I84Confident78.4Confident60 Ų6063 Ų6331%0.30831%0.312SS..Hα-helixtrans-65.6-52.2177.8-60.7176.6000109.7G94 R98 S99 D100 V112 E114G94-I96 VanDerWaalsContact C-N 3.29Å; G94-I96 PolarHBondContact O-N 3.07Å; I96-R98 PolarHBondContact O-N 2.92Å; I96-S99 CarbonylContact O-C 3.5Å; I96-S99 WeakPolarHBondContact O-CA 3.42Å; I96-S99 WeakPolarHBondContact O-CB 3.24Å; I96-S99 PolarHBondContact O-N 2.96Å; I96-D100 PolarHBondContact O-N 2.89Å; I96-V112 HydrophobicContact CD1-CB 4.24Å; I96-V112 HydrophobicContact CD1-CG1 3.76Å; I96-V112 HydrophobicContact CG1-CG1 3.83Å; I96-E114 WeakPolarHBondContact CB-OE1 3.23Å; I96-E114 HydrophobicContact CD1-CG 3.66Å; I96-E114 HydrophobicContact CG1-CG 3.86Å; I96-E114 WeakPolarHBondContact CG1-OE1 3.23Å; I96-E114 PolarHBondContact N-OE1 3.1Å
97A79.6Confident78.1Confident69 Ų6959 Ų5957%0.5730%0.301SS*.Hα-helixtrans-59.9-31.8178.900000112.6G94G94-A97 PolarHBondContact O-N 3.35Å
98R71.3Confident77.9Confident117 Ų11766.8 Ų66.844%0.44234%0.343SS..Hα-helixtrans-72.5-35.4174-69.1179.7-57-112.92.4111.8V93 G94 A95 I96 L498V93-R98 PolarHBondContact O-NH1 2.8Å; V93-R98 PolarHBondContact O-NH2 3.4Å; G94-R98 WeakPolarHBondContact O-CB 3.49Å; G94-R98 WeakPolarHBondContact O-CG 3.11Å; G94-R98 PolarHBondContact O-N 2.82Å; G94-R98 PolarHBondContact O-NE 2.97Å; A95-R98 PolarHBondContact O-N 2.82Å; I96-R98 PolarHBondContact O-N 2.92Å; R98-L498 HydrophobicContact CG-CD1 4.26Å
99S69.1Low77.7Confident13 Ų1370 Ų709%0.09136%0.355CS..Hα-helixtrans-80.5-24.2178.7-175.20000114.5R74 A95 I96 K101 A102R74-S99 PolarHBondContact NH1-OG 3.41Å; A95-S99 VanDerWaalsContact O-CB 3.31Å; A95-S99 WeakPolarHBondContact O-CB 3.08Å; A95-S99 PolarHBondContact O-N 2.81Å; I96-S99 CarbonylContact O-C 3.5Å; I96-S99 WeakPolarHBondContact O-CA 3.42Å; I96-S99 WeakPolarHBondContact O-CB 3.24Å; I96-S99 PolarHBondContact O-N 2.96Å; S99-K101 PolarHBondContact O-N 3Å; S99-K101 VanDerWaalsContact O-N 3.1Å; S99-A102 WeakPolarHBondContact O-CA 3.41Å; S99-A102 VanDerWaalsContact O-CB 3.27Å; S99-A102 WeakPolarHBondContact O-CB 3.38Å; S99-A102 PolarHBondContact O-N 3.2Å
100D57.3Low77.7Confident90 Ų9070.4 Ų70.448%0.48136%0.357SS..G310 helixtrans-63.9-17.3-178.9-81.2-24.9000113.1I96 A102I96-D100 PolarHBondContact O-N 2.89Å; D100-A102 PolarHBondContact O-N 3.35Å
101K51.5Low77.8Confident193 Ų19373 Ų7384%0.83937%0.373SS*.G310 helixtrans-68.3-17.2168.3-66.1-175.1179.4-179.80112.9S99S99-K101 PolarHBondContact O-N 3Å; S99-K101 VanDerWaalsContact O-N 3.1Å
102A52.9Low78.1Confident41 Ų4175 Ų7534%0.33939%0.385SS..G310 helixtrans-105.237.1-172.600000114S99 D100 H104S99-A102 WeakPolarHBondContact O-CA 3.41Å; S99-A102 VanDerWaalsContact O-CB 3.27Å; S99-A102 WeakPolarHBondContact O-CB 3.38Å; S99-A102 PolarHBondContact O-N 3.2Å; D100-A102 PolarHBondContact O-N 3.35Å; A102-H104 VanDerWaalsContact C-N 3.26Å; A102-H104 PolarHBondContact O-N 3.21Å
103K52.1Low78.5Confident184 Ų18477.1 Ų77.180%0.839%0.394SS*.  trans44.37.4154.3-73.7-172.3177.4-179.20122.1
104H60.1Low78.9Confident138 Ų13877.3 Ų77.364%0.63939%0.391SS*.  trans-134.2102.7178.1-64.490.1000111.1A102A102-H104 VanDerWaalsContact C-N 3.26Å; A102-H104 PolarHBondContact O-N 3.21Å
105F72.3Confident79.2Confident177 Ų17776.5 Ų76.578%0.77638%0.382SS*.PPolyproline II helixtrans-71.6138175.4-69.4-78.9000110.9
106L89.4Confident79.5Confident28 Ų2876.1 Ų76.115%0.14738%0.38CS..PPolyproline II helixtrans-66.6146.1167.5-65.7174.5000109.5L70 C73 R74 V77 I110 V112L70-L106 HydrophobicContact CD2-CD1 3.91Å; C73-L106 HydrophobicContact CB-CD1 3.7Å; C73-L106 HydrophobicContact CB-CD2 3.7Å; C73-L106 HydrophobicContact CB-CG 4.39Å; R74-L106 HydrophobicContact CB-CD2 4.45Å; R74-L106 HydrophobicContact CG-CD2 3.78Å; V77-L106 HydrophobicContact CG2-CD2 4.03Å; L106-I110 HydrophobicContact CB-CB 4.47Å; L106-I110 HydrophobicContact CD1-CG2 4.14Å; L106-V112 HydrophobicContact CD1-CG2 3.75Å
107P91.7Very high79.3Confident33 Ų3380.3 Ų80.321%0.21439%0.392CS..PPolyproline II helixtrans-65.4148.2177.429-35.1000110.5V77 R109 I110V77-P107 HydrophobicContact CG1-CG 4.27Å; V77-P107 HydrophobicContact CG2-CG 3.95Å; P107-R109 HydrophobicContact CB-CG 4.07Å; P107-R109 HydrophobicContact CG-CG 3.93Å; P107-R109 PolarHBondContact O-N 2.9Å; P107-I110 HydrophobicContact CG-CD1 4.29Å; P107-I110 HydrophobicContact CG-CG1 4.4Å; P107-I110 PolarHBondContact O-N 3Å
108N91.6Very high78.9Confident165 Ų16580.6 Ų80.688%0.88239%0.385SS*.THydrogen-bonded Turntrans-52.8-20.1-176.3-67.1-7.8000115.3I110N108-I110 PolarHBondContact O-N 3.28Å
109R94.6Very high78.9Confident69 Ų6977.3 Ų77.326%0.2638%0.376SS..THydrogen-bonded Turntrans-69.6-17.5174.564.2-169.9175.8-131.3-4.4113.9G81 N82 I84 R86 G87 P107G81-R109 VanDerWaalsContact C-NH2 3.28Å; G81-R109 PolarHBondContact O-NH2 3.31Å; N82-R109 PolarHBondContact OD1-NH1 2.8Å; N82-R109 VanDerWaalsContact OD1-NH1 3.14Å; N82-R109 PolarHBondContact OD1-NH2 2.92Å; I84-R109 HydrophobicContact CG2-CG 4.41Å; I84-R109 WeakPolarHBondContact O-CD 3.46Å; I84-R109 PolarHBondContact O-NE 3.13Å; R86-R109 CarbonylContact C-O 3.49Å; R86-R109 WeakPolarHBondContact CA-O 3.28Å; G87-R109 PolarHBondContact N-O 3.02Å; P107-R109 HydrophobicContact CB-CG 4.07Å; P107-R109 HydrophobicContact CG-CG 3.93Å; P107-R109 PolarHBondContact O-N 2.9Å
110I96Very high79.5Confident8 Ų879.3 Ų79.34%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-104.9105.7172.6-55.8177.8000107.9I62 V77 I84 G87 L106 P107 N108I62-I110 HydrophobicContact CD1-CD1 4.03Å; V77-I110 HydrophobicContact CG2-CD1 3.41Å; V77-I110 VanDerWaalsContact CG2-CD1 3.41Å; I84-I110 HydrophobicContact CD1-CD1 4.4Å; I84-I110 HydrophobicContact CG2-CD1 4.37Å; I84-I110 HydrophobicContact CG2-CG1 4.24Å; G87-I110 WeakPolarHBondContact O-CA 3.33Å; L106-I110 HydrophobicContact CB-CB 4.47Å; L106-I110 HydrophobicContact CD1-CG2 4.14Å; P107-I110 HydrophobicContact CG-CD1 4.29Å; P107-I110 HydrophobicContact CG-CG1 4.4Å; P107-I110 PolarHBondContact O-N 3Å; N108-I110 PolarHBondContact O-N 3.28Å
111T95.9Very high80.9Confident54 Ų5476.1 Ų76.133%0.33137%0.369SS..EExtended strand (participates in β ladder)trans-83132.7175.559.60000110.1G87 V88 A89 H113G87-T111 PolarHBondContact O-N 3.28Å; G87-T111 PolarHBondContact O-OG1 3.07Å; V88-T111 WeakPolarHBondContact CA-O 3.42Å; A89-T111 PolarHBondContact N-O 3.45Å; T111-H113 PolarHBondContact OG1-NE2 3.01Å; T111-H113 VanDerWaalsContact OG1-NE2 3.14Å
112V94.6Very high82.7Confident42 Ų4268.7 Ų68.726%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-108.3129.3177.8-176.70000108.8L70 A89 V91 I96 L106L70-V112 HydrophobicContact CD2-CB 4.35Å; L70-V112 HydrophobicContact CD2-CG1 3.64Å; L70-V112 HydrophobicContact CD2-CG2 3.71Å; A89-V112 HydrophobicContact CB-CG2 4.31Å; A89-V112 WeakPolarHBondContact O-CA 3.46Å; V91-V112 HydrophobicContact CG1-CG1 4.28Å; V91-V112 HydrophobicContact CG2-CG1 3.55Å; I96-V112 HydrophobicContact CD1-CB 4.24Å; I96-V112 HydrophobicContact CD1-CG1 3.76Å; I96-V112 HydrophobicContact CG1-CG1 3.83Å; L106-V112 HydrophobicContact CD1-CG2 3.75Å
113H95Very high84.7Confident54 Ų5472 Ų7225%0.2535%0.347CS..EExtended strand (participates in β ladder)trans-122.7124.2179.2-58.5-91.9000109.5A89 V91 T111 T128A89-H113 PolarHBondContact O-N 3.14Å; V91-H113 WeakPolarHBondContact CG2-O 3.35Å; V91-H113 PolarHBondContact N-O 3.03Å; T111-H113 PolarHBondContact OG1-NE2 3.01Å; T111-H113 VanDerWaalsContact OG1-NE2 3.14Å; H113-T128 HydrophobicContact CB-CG2 3.82Å; H113-T128 WeakPolarHBondContact CB-OG1 3.33Å
114E92.5Very high86.8Confident62 Ų6265 Ų6529%0.2932%0.324SS..EExtended strand (participates in β ladder)trans-85134.1172.6-64-158.8147.800110.3V91 G94 A95 I96V91-E114 HydrophobicContact CG2-CG 4Å; V91-E114 WeakPolarHBondContact O-CA 3.41Å; G94-E114 VanDerWaalsContact CA-OE1 3.3Å; G94-E114 WeakPolarHBondContact CA-OE1 3.3Å; G94-E114 PolarHBondContact N-OE1 3.37Å; G94-E114 VanDerWaalsContact N-OE1 3.09Å; G94-E114 PolarHBondContact N-OE2 2.88Å; A95-E114 PolarHBondContact N-OE1 3.44Å; I96-E114 WeakPolarHBondContact CB-OE1 3.23Å; I96-E114 HydrophobicContact CD1-CG 3.66Å; I96-E114 HydrophobicContact CG1-CG 3.86Å; I96-E114 WeakPolarHBondContact CG1-OE1 3.23Å; I96-E114 PolarHBondContact N-OE1 3.1Å
115G91Very high88.4Confident0 Ų058.5 Ų58.50%029%0.294CS..EExtended strand (participates in β ladder)trans-159.9-165.8173.500000110.6V91 P92 V93V91-G115 PolarHBondContact O-N 2.93Å; P92-G115 CarbonylContact C-O 3.55Å; P92-G115 VanDerWaalsContact CA-O 3.26Å; P92-G115 WeakPolarHBondContact CA-O 3.35Å; V93-G115 WeakPolarHBondContact CG2-O 3.37Å; V93-G115 PolarHBondContact N-O 2.67Å
116A86.2Confident89.5Confident2 Ų251.7 Ų51.72%0.01727%0.265CS..  trans53.757.6-17500000114.5N118 N119 L120 D122 A170 L171A116-N118 PolarHBondContact O-N 2.85Å; A116-N119 WeakPolarHBondContact O-CA 3.5Å; A116-N119 PolarHBondContact O-N 2.68Å; A116-L120 CarbonylContact C-O 3.49Å; A116-L120 WeakPolarHBondContact CA-O 3.26Å; A116-L120 WeakPolarHBondContact CB-O 3.49Å; A116-D122 WeakPolarHBondContact CA-OD2 3.3Å; A116-D122 PolarHBondContact N-OD1 3.23Å; A116-D122 PolarHBondContact N-OD2 3.1Å; A116-A170 HydrophobicContact CB-CB 3.94Å; A116-L171 HydrophobicContact CB-CD2 3.61Å; A116-L171 HydrophobicContact CB-CG 4.04Å
117Y80.9Confident89.8Confident147 Ų14755.5 Ų55.558%0.57628%0.282SS*.G310 helixtrans-54.2134.1174.7-175.8-103.2000111.5V93 N119 L120 D122V93-Y117 HydrophobicContact CB-CD2 4.31Å; V93-Y117 HydrophobicContact CG1-CD2 4.19Å; V93-Y117 HydrophobicContact CG2-CD2 4.36Å; Y117-N119 PolarHBondContact O-N 2.82Å; Y117-N119 VanDerWaalsContact O-N 3.13Å; Y117-L120 PolarHBondContact O-N 3.34Å; Y117-L120 VanDerWaalsContact O-N 3.08Å; Y117-D122 PolarHBondContact N-OD2 2.65Å
118N70.9Confident90.1Very high76 Ų7654.1 Ų54.141%0.40627%0.273SS..G310 helixtrans5228.7-170.6-66.5-21.3000113.9A116 L120A116-N118 PolarHBondContact O-N 2.85Å; N118-L120 PolarHBondContact O-N 2.78Å
119N72.4Confident90.3Very high47 Ų4746.3 Ų46.325%0.25123%0.231SC..G310 helixtrans65.15.8-176-51.3-61.6000115.7A116 Y117 M152 S165 G166 G167 A170A116-N119 WeakPolarHBondContact O-CA 3.5Å; A116-N119 PolarHBondContact O-N 2.68Å; Y117-N119 PolarHBondContact O-N 2.82Å; Y117-N119 VanDerWaalsContact O-N 3.13Å; N119-M152 HydrophobicContact CB-CE 3.79Å; N119-M152 VanDerWaalsContact CG-CE 3.44Å; N119-S165 CarbonylContact C-O 3.59Å; N119-S165 CarbonylContact O-C 3.48Å; N119-G166 WeakPolarHBondContact O-CA 3.4Å; N119-G167 PolarHBondContact O-N 3.05Å; N119-A170 WeakPolarHBondContact O-CB 3.36Å
120L80.3Confident90.4Very high56 Ų5647 Ų4729%0.29324%0.238SC..SBendtrans-85.5143.6177.4-51.3170.4000110A116 Y117 N118 D122 S165A116-L120 CarbonylContact C-O 3.49Å; A116-L120 WeakPolarHBondContact CA-O 3.26Å; A116-L120 WeakPolarHBondContact CB-O 3.49Å; Y117-L120 PolarHBondContact O-N 3.34Å; Y117-L120 VanDerWaalsContact O-N 3.08Å; N118-L120 PolarHBondContact O-N 2.78Å; L120-D122 PolarHBondContact O-N 2.82Å; L120-S165 VanDerWaalsContact CA-O 3.31Å; L120-S165 WeakPolarHBondContact CA-O 3.23Å; L120-S165 WeakPolarHBondContact CA-OG 3.2Å; L120-S165 WeakPolarHBondContact CD2-O 3.41Å; L120-S165 WeakPolarHBondContact CD2-OG 3.35Å; L120-S165 PolarHBondContact N-O 3.37Å
121P86.1Confident90.5Very high22 Ų2249.6 Ų49.614%0.14325%0.251CS..  trans-52.6142.6172.8-21.228.3000112S165 A170 P173 L181 Q185P121-S165 WeakPolarHBondContact CD-OG 3.37Å; P121-A170 HydrophobicContact CG-CB 4.03Å; P121-P173 HydrophobicContact CB-CB 3.84Å; P121-P173 HydrophobicContact CB-CG 4.03Å; P121-L181 HydrophobicContact CB-CD1 3.92Å; P121-Q185 HydrophobicContact CG-CG 4.45Å; P121-Q185 PolarHBondContact O-NE2 3.1Å
122D90.8Very high90.6Very high37 Ų3747.1 Ų47.120%0.19824%0.236CC..  trans-143.2179.1176.46017.6000111.3A116 Y117 L120 A124 A125 L126 L181A116-D122 WeakPolarHBondContact CA-OD2 3.3Å; A116-D122 PolarHBondContact N-OD1 3.23Å; A116-D122 PolarHBondContact N-OD2 3.1Å; Y117-D122 PolarHBondContact N-OD2 2.65Å; L120-D122 PolarHBondContact O-N 2.82Å; D122-A124 VanDerWaalsContact C-N 3.32Å; D122-A124 PolarHBondContact O-N 3.16Å; D122-A124 PolarHBondContact OD1-N 3.21Å; D122-A125 PolarHBondContact O-N 3.35Å; D122-A125 VanDerWaalsContact OD1-CB 3.27Å; D122-A125 WeakPolarHBondContact OD1-CB 3.29Å; D122-A125 PolarHBondContact OD1-N 3.07Å; D122-L126 PolarHBondContact O-N 3.48Å; D122-L181 WeakPolarHBondContact O-CD2 3.41Å
123Q94.7Very high90.7Very high111 Ų11145.5 Ų45.552%0.51923%0.226SC..Hα-helixtrans-63.3-37.8-178.1-176.157.334.300111.9L126 E127Q123-L126 WeakPolarHBondContact O-CB 3.35Å; Q123-L126 PolarHBondContact O-N 2.95Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.44Å; Q123-E127 PolarHBondContact NE2-OE1 2.65Å; Q123-E127 WeakPolarHBondContact O-CG 3.27Å; Q123-E127 PolarHBondContact O-N 3.29Å
124A95.4Very high90.8Very high38 Ų3846.5 Ų46.531%0.31423%0.233SC..Hα-helixtrans-65.5-42.8177.900000112.1D122 L126 E127 T128D122-A124 VanDerWaalsContact C-N 3.32Å; D122-A124 PolarHBondContact O-N 3.16Å; D122-A124 PolarHBondContact OD1-N 3.21Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.18Å; A124-E127 PolarHBondContact O-N 2.83Å; A124-T128 PolarHBondContact O-N 3.06Å; A124-T128 PolarHBondContact O-OG1 2.93Å
125A93.3Very high91.1Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-66.2-34.1174.100000112.3D122 T128 S129 A170 P173D122-A125 PolarHBondContact O-N 3.35Å; D122-A125 VanDerWaalsContact OD1-CB 3.27Å; D122-A125 WeakPolarHBondContact OD1-CB 3.29Å; D122-A125 PolarHBondContact OD1-N 3.07Å; A125-T128 PolarHBondContact O-N 3.32Å; A125-S129 PolarHBondContact O-N 3.17Å; A125-S129 PolarHBondContact O-OG 3.49Å; A125-A170 WeakPolarHBondContact CB-O 3.48Å; A125-P173 HydrophobicContact CB-CG 3.63Å; A125-P173 WeakPolarHBondContact O-CD 3.37Å
126L95.5Very high91.4Very high35 Ų3543.8 Ų43.818%0.18322%0.221CC..Hα-helixtrans-64.4-47174.1178.366.2000111.7D122 Q123 A124 T128 S129 Q130 P173 L174 L181D122-L126 PolarHBondContact O-N 3.48Å; Q123-L126 WeakPolarHBondContact O-CB 3.35Å; Q123-L126 PolarHBondContact O-N 2.95Å; A124-L126 VanDerWaalsContact C-N 3.32Å; A124-L126 PolarHBondContact O-N 3.18Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 2.79Å; L126-S129 VanDerWaalsContact O-CB 3.32Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 3.48Å; L126-S129 VanDerWaalsContact O-N 3.12Å; L126-Q130 PolarHBondContact O-N 3Å; L126-P173 WeakPolarHBondContact CA-O 3.43Å; L126-P173 WeakPolarHBondContact CD1-O 3.41Å; L126-L174 HydrophobicContact CD1-CD1 3.67Å; L126-L181 HydrophobicContact CB-CD2 4.26Å; L126-L181 HydrophobicContact CD2-CB 4.43Å; L126-L181 HydrophobicContact CD2-CD2 4.36Å
127E97.3Very high91.9Very high108 Ų10849.3 Ų49.351%0.50525%0.246SC..Hα-helixtrans-60.9-42.6175.8-73.6165.4-166.700111.3Q123 A124 S129 Q130 L131Q123-E127 WeakPolarHBondContact CG-OE1 3.44Å; Q123-E127 PolarHBondContact NE2-OE1 2.65Å; Q123-E127 WeakPolarHBondContact O-CG 3.27Å; Q123-E127 PolarHBondContact O-N 3.29Å; A124-E127 PolarHBondContact O-N 2.83Å; E127-S129 VanDerWaalsContact C-N 3.28Å; E127-S129 PolarHBondContact O-N 2.78Å; E127-Q130 WeakPolarHBondContact O-CB 3.4Å; E127-Q130 PolarHBondContact O-N 2.83Å; E127-Q130 VanDerWaalsContact O-N 3.14Å; E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.42Å
128T96.7Very high92.6Very high4 Ų447 Ų473%0.02525%0.248CC..Hα-helixtrans-60.1-40173.8-52.70000111.7V88 H113 A124 A125 L126 Q130 L131 V132V88-T128 HydrophobicContact CG1-CG2 3.89Å; H113-T128 HydrophobicContact CB-CG2 3.82Å; H113-T128 WeakPolarHBondContact CB-OG1 3.33Å; A124-T128 PolarHBondContact O-N 3.06Å; A124-T128 PolarHBondContact O-OG1 2.93Å; A125-T128 PolarHBondContact O-N 3.32Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 2.79Å; T128-Q130 VanDerWaalsContact C-N 3.31Å; T128-Q130 PolarHBondContact O-N 2.68Å; T128-L131 PolarHBondContact O-N 3.15Å; T128-V132 WeakPolarHBondContact O-CG2 3.48Å; T128-V132 PolarHBondContact O-N 3.29Å
129S96.6Very high93.9Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-63.9-36.7176.8-59.60000112.3A125 L126 E127 V132 V133 L172 P173A125-S129 PolarHBondContact O-N 3.17Å; A125-S129 PolarHBondContact O-OG 3.49Å; L126-S129 VanDerWaalsContact O-CB 3.32Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 3.48Å; L126-S129 VanDerWaalsContact O-N 3.12Å; E127-S129 VanDerWaalsContact C-N 3.28Å; E127-S129 PolarHBondContact O-N 2.78Å; S129-V132 PolarHBondContact O-N 3.25Å; S129-V133 WeakPolarHBondContact O-CG2 3.36Å; S129-V133 PolarHBondContact O-N 2.86Å; S129-V133 VanDerWaalsContact O-N 3.09Å; S129-L172 VanDerWaalsContact OG-C 3.24Å; S129-L172 VanDerWaalsContact OG-CA 3.25Å; S129-L172 WeakPolarHBondContact OG-CA 3.49Å; S129-P173 WeakPolarHBondContact CB-O 3.43Å; S129-P173 VanDerWaalsContact OG-CD 3.32Å; S129-P173 WeakPolarHBondContact OG-CD 3.48Å; S129-P173 PolarHBondContact OG-O 2.95Å
130Q97.2Very high95.1Very high84 Ų8444.7 Ų44.739%0.39324%0.238SC..Hα-helixtrans-66.2-44.6174.3-170.460.653.700111.2L126 E127 T128 V132 V133 D134L126-Q130 PolarHBondContact O-N 3Å; E127-Q130 WeakPolarHBondContact O-CB 3.4Å; E127-Q130 PolarHBondContact O-N 2.83Å; E127-Q130 VanDerWaalsContact O-N 3.14Å; T128-Q130 VanDerWaalsContact C-N 3.31Å; T128-Q130 PolarHBondContact O-N 2.68Å; Q130-V132 PolarHBondContact O-N 3.4Å; Q130-V133 PolarHBondContact O-N 3.13Å; Q130-D134 PolarHBondContact NE2-OD1 3.36Å; Q130-D134 PolarHBondContact O-N 3.46Å
131L97.4Very high95.8Very high63 Ų6343.4 Ų43.433%0.3324%0.236SC..Hα-helixtrans-58.3-37.4174.9-66.9175.6000112.5E127 T128 M135E127-L131 WeakPolarHBondContact O-CG 3.38Å; E127-L131 PolarHBondContact O-N 3.42Å; T128-L131 PolarHBondContact O-N 3.15Å; L131-M135 WeakPolarHBondContact O-CB 3.5Å; L131-M135 PolarHBondContact O-N 2.76Å
132V97.4Very high96.3Very high2 Ų247.8 Ų47.81%0.01225%0.254CS..Hα-helixtrans-62.3-49.8173.5167.30000110.5V63 V88 T128 S129 Q130 M135 V136 L172 L216V63-V132 HydrophobicContact CG1-CG1 3.82Å; V63-V132 HydrophobicContact CG1-CG2 4.08Å; V63-V132 HydrophobicContact CG2-CG1 3.87Å; V63-V132 HydrophobicContact CG2-CG2 4.44Å; V88-V132 HydrophobicContact CB-CG2 4.06Å; V88-V132 HydrophobicContact CG1-CG2 3.79Å; T128-V132 WeakPolarHBondContact O-CG2 3.48Å; T128-V132 PolarHBondContact O-N 3.29Å; S129-V132 PolarHBondContact O-N 3.25Å; Q130-V132 PolarHBondContact O-N 3.4Å; V132-M135 PolarHBondContact O-N 3.35Å; V132-V136 HydrophobicContact CG1-CG1 4.44Å; V132-V136 WeakPolarHBondContact O-CG1 3.16Å; V132-V136 WeakPolarHBondContact O-CG2 3.27Å; V132-V136 PolarHBondContact O-N 2.81Å; V132-L172 HydrophobicContact CG2-CD2 4.11Å; V132-L216 HydrophobicContact CG1-CD1 4.07Å
133V97.5Very high96.6Very high7 Ų747 Ų474%0.04225%0.25CC..Hα-helixtrans-57.8-50.4177.7171.60000111.2S129 Q130 M135 V136 Q137 L174 L211 V219S129-V133 WeakPolarHBondContact O-CG2 3.36Å; S129-V133 PolarHBondContact O-N 2.86Å; S129-V133 VanDerWaalsContact O-N 3.09Å; Q130-V133 PolarHBondContact O-N 3.13Å; V133-M135 VanDerWaalsContact C-N 3.27Å; V133-M135 PolarHBondContact O-N 2.93Å; V133-V136 WeakPolarHBondContact O-CG2 3.38Å; V133-V136 PolarHBondContact O-N 3.12Å; V133-Q137 HydrophobicContact CG1-CG 4.2Å; V133-Q137 WeakPolarHBondContact O-CB 3.42Å; V133-Q137 VanDerWaalsContact O-CG 3.31Å; V133-Q137 WeakPolarHBondContact O-CG 3.47Å; V133-Q137 PolarHBondContact O-N 2.67Å; V133-L174 HydrophobicContact CG2-CD2 3.5Å; V133-L211 HydrophobicContact CG2-CD1 4.44Å; V133-L211 HydrophobicContact CG2-CD2 3.74Å; V133-L211 HydrophobicContact CG2-CG 4.33Å; V133-V219 HydrophobicContact CG2-CG2 4.43Å
134D97.5Very high96.7Very high76 Ų7641.7 Ų41.741%0.40623%0.225SC..Hα-helixtrans-59.5-40-178.2-62.4-13.3000111.1Q130 T138Q130-D134 PolarHBondContact NE2-OD1 3.36Å; Q130-D134 PolarHBondContact O-N 3.46Å; D134-T138 WeakPolarHBondContact O-CG2 3.27Å
135M97.6Very high96.9Very high3 Ų339.9 Ų39.92%0.01521%0.21CC..Hα-helixtrans-66.7-51.5176.7-177.1-176.669.100111.6Y61 V63 R86 V88 L131 V132 V133 Q137 T138Y61-M135 HydrophobicContact CD1-CG 4.26Å; Y61-M135 HydrophobicContact CD1-SD 4.15Å; V63-M135 HydrophobicContact CG2-CE 3.4Å; R86-M135 HydrophobicContact CB-SD 4.38Å; R86-M135 HydrophobicContact CG-SD 3.97Å; V88-M135 HydrophobicContact CG2-CE 4.21Å; V88-M135 HydrophobicContact CG2-SD 3.96Å; L131-M135 WeakPolarHBondContact O-CB 3.5Å; L131-M135 PolarHBondContact O-N 2.76Å; V132-M135 PolarHBondContact O-N 3.35Å; V133-M135 VanDerWaalsContact C-N 3.27Å; V133-M135 PolarHBondContact O-N 2.93Å; M135-Q137 VanDerWaalsContact C-N 3.29Å; M135-Q137 PolarHBondContact O-N 2.83Å; M135-T138 PolarHBondContact O-N 2.94Å; M135-T138 PolarHBondContact O-OG1 3.34Å
136V97.3Very high97.1Very high1 Ų140 Ų401%0.00621%0.211CC..Hα-helixtrans-70.6-26-172-59.30000113.1V63 V132 V133 T138 L139 L145 L216 V219 A220V63-V136 HydrophobicContact CG2-CG1 3.98Å; V132-V136 HydrophobicContact CG1-CG1 4.44Å; V132-V136 WeakPolarHBondContact O-CG1 3.16Å; V132-V136 WeakPolarHBondContact O-CG2 3.27Å; V132-V136 PolarHBondContact O-N 2.81Å; V133-V136 WeakPolarHBondContact O-CG2 3.38Å; V133-V136 PolarHBondContact O-N 3.12Å; V136-T138 PolarHBondContact O-N 3.34Å; V136-L139 HydrophobicContact CB-CD1 4.32Å; V136-L139 HydrophobicContact CG1-CD1 4.42Å; V136-L139 WeakPolarHBondContact O-CB 3.47Å; V136-L139 WeakPolarHBondContact O-CG 3.44Å; V136-L139 PolarHBondContact O-N 3.22Å; V136-L145 HydrophobicContact CB-CD2 4.36Å; V136-L145 HydrophobicContact CG1-CD1 3.95Å; V136-L145 HydrophobicContact CG1-CD2 3.75Å; V136-L216 HydrophobicContact CG1-CD1 4.44Å; V136-L216 HydrophobicContact CG2-CD1 4.33Å; V136-V219 HydrophobicContact CG2-CB 4.41Å; V136-V219 HydrophobicContact CG2-CG2 3.8Å; V136-A220 HydrophobicContact CB-CB 3.8Å; V136-A220 HydrophobicContact CG2-CB 3.93Å
137Q96.6Very high97.2Very high118 Ų11838.3 Ų38.355%0.55120%0.202SC*.THydrogen-bonded Turntrans-69-19.5175-75.9179.1-23.500113.4V133 M135 L139 V219V133-Q137 HydrophobicContact CG1-CG 4.2Å; V133-Q137 WeakPolarHBondContact O-CB 3.42Å; V133-Q137 VanDerWaalsContact O-CG 3.31Å; V133-Q137 WeakPolarHBondContact O-CG 3.47Å; V133-Q137 PolarHBondContact O-N 2.67Å; M135-Q137 VanDerWaalsContact C-N 3.29Å; M135-Q137 PolarHBondContact O-N 2.83Å; Q137-L139 VanDerWaalsContact C-N 3.35Å; Q137-V219 VanDerWaalsContact CG-O 3.31Å; Q137-V219 WeakPolarHBondContact CG-O 3.38Å
138T96.9Very high97.2Very high100 Ų10033.2 Ų33.261%0.61318%0.178SC*.THydrogen-bonded Turntrans-85.3-8177650000113.9D134 M135 V136D134-T138 WeakPolarHBondContact O-CG2 3.27Å; M135-T138 PolarHBondContact O-N 2.94Å; M135-T138 PolarHBondContact O-OG1 3.34Å; V136-T138 PolarHBondContact O-N 3.34Å
139L97.7Very high97Very high4 Ų433.1 Ų33.12%0.02118%0.178CC..  trans-77.6148.6-173.8-57.4-177.7000112.3Y61 V136 Q137 D143 L145 L222 P223Y61-L139 HydrophobicContact CD1-CD2 3.62Å; Y61-L139 HydrophobicContact CD2-CD2 3.47Å; Y61-L139 VanDerWaalsContact CD2-CD2 3.47Å; Y61-L139 HydrophobicContact CE1-CD2 3.64Å; Y61-L139 HydrophobicContact CE2-CD2 3.51Å; Y61-L139 HydrophobicContact CG-CD1 4.32Å; Y61-L139 HydrophobicContact CG-CD2 3.52Å; V136-L139 HydrophobicContact CB-CD1 4.32Å; V136-L139 HydrophobicContact CG1-CD1 4.42Å; V136-L139 WeakPolarHBondContact O-CB 3.47Å; V136-L139 WeakPolarHBondContact O-CG 3.44Å; V136-L139 PolarHBondContact O-N 3.22Å; Q137-L139 VanDerWaalsContact C-N 3.35Å; L139-D143 HydrophobicContact CB-CB 4.27Å; L139-D143 HydrophobicContact CD2-CB 4.38Å; L139-L145 HydrophobicContact CD1-CB 4.18Å; L139-L145 HydrophobicContact CD1-CD1 4.11Å; L139-L222 WeakPolarHBondContact O-CD1 3.5Å; L139-P223 HydrophobicContact CB-CB 4.14Å; L139-P223 HydrophobicContact CB-CG 3.95Å; L139-P223 HydrophobicContact CD1-CB 4.29Å; L139-P223 HydrophobicContact CD1-CG 3.98Å
140T97Very high96.5Very high69 Ų6933.3 Ų33.342%0.42318%0.179SC..  trans-103.2175.7179.873.60000111.5E142 D143 P223T140-E142 PolarHBondContact O-N 3.32Å; T140-E142 PolarHBondContact OG1-N 2.91Å; T140-D143 WeakPolarHBondContact CA-OD2 3.48Å; T140-D143 WeakPolarHBondContact CB-OD2 3.25Å; T140-D143 PolarHBondContact N-OD2 3.2Å; T140-D143 PolarHBondContact O-N 3.19Å; T140-D143 PolarHBondContact OG1-OD2 3.47Å; T140-P223 VanDerWaalsContact O-CA 3.24Å; T140-P223 WeakPolarHBondContact O-CA 3.28Å
141A95.7Very high95Very high30 Ų3029.3 Ų29.325%0.24816%0.16CC..THydrogen-bonded Turntrans-68.4-16.8176.600000113.9L222 K224A141-L222 WeakPolarHBondContact CA-O 3.37Å; A141-K224 WeakPolarHBondContact O-CE 3.31Å
142E95.7Very high93.1Very high113 Ų11327.3 Ų27.353%0.52815%0.149SC..THydrogen-bonded Turntrans-83.8-21.3177.1-62.4-48.2144.900113.1N59 T140 K224N59-E142 PolarHBondContact ND2-O 2.84Å; T140-E142 PolarHBondContact O-N 3.32Å; T140-E142 PolarHBondContact OG1-N 2.91Å; E142-K224 PolarHBondContact O-NZ 3.1Å; E142-K224 IonicContact OE2-NZ 3.27Å; E142-K224 PolarHBondContact OE2-NZ 3.4Å
143D97.6Very high90.5Very high20 Ų2028.8 Ų28.811%0.10716%0.157CC..  trans-74.4151.8-178.8-60.3-55.2000112.5Y61 L139 T140 P223 K224Y61-D143 HydrophobicContact CD2-CB 4.27Å; Y61-D143 HydrophobicContact CE2-CB 4.28Å; L139-D143 HydrophobicContact CB-CB 4.27Å; L139-D143 HydrophobicContact CD2-CB 4.38Å; T140-D143 WeakPolarHBondContact CA-OD2 3.48Å; T140-D143 WeakPolarHBondContact CB-OD2 3.25Å; T140-D143 PolarHBondContact N-OD2 3.2Å; T140-D143 PolarHBondContact O-N 3.19Å; T140-D143 PolarHBondContact OG1-OD2 3.47Å; D143-P223 HydrophobicContact CB-CB 4.29Å; D143-P223 WeakPolarHBondContact O-CB 3.46Å; D143-K224 PolarHBondContact O-N 2.8Å
144I97.6Very high87.7Confident1 Ų129.6 Ų29.61%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-110.4117.3173-59.2165.2000107.6L46 Y54 E55 L56 N59 V60 Y61 K224 V226L46-I144 HydrophobicContact CD2-CD1 4.38Å; Y54-I144 HydrophobicContact CG-CD1 4.41Å; E55-I144 WeakPolarHBondContact O-CD1 3.28Å; L56-I144 HydrophobicContact CD1-CD1 4.43Å; N59-I144 PolarHBondContact O-N 3.45Å; V60-I144 CarbonylContact C-O 3.54Å; V60-I144 WeakPolarHBondContact CA-O 3.28Å; V60-I144 HydrophobicContact CG2-CB 4.3Å; V60-I144 HydrophobicContact CG2-CD1 4.32Å; Y61-I144 PolarHBondContact N-O 3.31Å; I144-K224 CarbonylContact C-O 3.55Å; I144-K224 WeakPolarHBondContact CA-O 3.35Å; I144-K224 HydrophobicContact CG1-CB 4.45Å; I144-K224 HydrophobicContact CG1-CD 4.32Å; I144-V226 HydrophobicContact CG2-CG2 4.5Å
145L98.1Very high84.9Confident0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-93.9105.2170.1-179.862.1000109.1V63 V136 L139 V147 A220 P223 K224 I225 V226V63-L145 HydrophobicContact CB-CD1 4.42Å; V63-L145 HydrophobicContact CG2-CD1 3.82Å; V136-L145 HydrophobicContact CB-CD2 4.36Å; V136-L145 HydrophobicContact CG1-CD1 3.95Å; V136-L145 HydrophobicContact CG1-CD2 3.75Å; L139-L145 HydrophobicContact CD1-CB 4.18Å; L139-L145 HydrophobicContact CD1-CD1 4.11Å; L145-V147 HydrophobicContact CD2-CG2 4.15Å; L145-V147 HydrophobicContact CG-CG2 3.89Å; L145-A220 HydrophobicContact CD2-CB 4.03Å; L145-P223 HydrophobicContact CB-CB 4.28Å; L145-P223 HydrophobicContact CB-CG 4.19Å; L145-K224 PolarHBondContact N-O 3.31Å; L145-I225 HydrophobicContact CB-CG1 4.27Å; L145-I225 HydrophobicContact CD2-CD1 4.46Å; L145-I225 HydrophobicContact CD2-CG1 4.29Å; L145-I225 WeakPolarHBondContact O-CA 3.39Å; L145-V226 PolarHBondContact O-N 3.14Å
146L98Very high82Confident2 Ų230.5 Ų30.51%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-86112.4172.1-17766.5000109.4L37 V60 Y61 I62 V63 A76 L80 L148 V226 L228L37-L146 HydrophobicContact CD1-CD2 3.88Å; L37-L146 HydrophobicContact CD2-CD1 4.34Å; V60-L146 HydrophobicContact CG1-CB 4.08Å; Y61-L146 PolarHBondContact O-N 2.65Å; I62-L146 WeakPolarHBondContact CA-O 3.39Å; I62-L146 HydrophobicContact CD1-CD2 4.48Å; I62-L146 HydrophobicContact CG1-CB 4.36Å; I62-L146 HydrophobicContact CG1-CD2 4.31Å; V63-L146 PolarHBondContact N-O 2.94Å; A76-L146 HydrophobicContact CB-CD2 3.98Å; L80-L146 HydrophobicContact CD1-CD2 3.88Å; L146-L148 HydrophobicContact CD1-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CD2 3.97Å; L146-L148 HydrophobicContact CD2-CG 4.42Å; L146-L148 HydrophobicContact CG-CD2 3.78Å; L146-L148 HydrophobicContact CG-CG 4.21Å; L146-V226 CarbonylContact C-O 3.55Å; L146-V226 WeakPolarHBondContact CA-O 3.36Å; L146-V226 HydrophobicContact CD1-CB 4.31Å; L146-V226 HydrophobicContact CD1-CG1 4.22Å; L146-L228 HydrophobicContact CD1-CD1 4.09Å; L146-L228 HydrophobicContact CD1-CG 3.98Å
147V97.7Very high79Confident0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans-101.4114.6179.6-170.40000109V63 F65 L145 V149 L216 I225 V226 A227 L228 T246V63-V147 CarbonylContact O-C 3.1Å; V63-V147 VanDerWaalsContact O-CA 3.29Å; V63-V147 WeakPolarHBondContact O-CA 3.5Å; F65-V147 HydrophobicContact CE1-CG1 3.68Å; F65-V147 HydrophobicContact CZ-CG1 4.27Å; L145-V147 HydrophobicContact CD2-CG2 4.15Å; L145-V147 HydrophobicContact CG-CG2 3.89Å; V147-V149 HydrophobicContact CG1-CG2 3.78Å; V147-L216 HydrophobicContact CG1-CD2 3.92Å; V147-L216 HydrophobicContact CG2-CD2 3.9Å; V147-I225 HydrophobicContact CG2-CG2 3.96Å; V147-V226 PolarHBondContact N-O 2.93Å; V147-A227 HydrophobicContact CB-CB 4.06Å; V147-A227 CarbonylContact O-C 3.57Å; V147-A227 WeakPolarHBondContact O-CA 3.41Å; V147-L228 PolarHBondContact O-N 2.91Å; V147-T246 HydrophobicContact CB-CG2 4.17Å; V147-T246 HydrophobicContact CG1-CG2 3.98Å; V147-T246 HydrophobicContact CG2-CG2 4.01Å
148L96.8Very high76.3Confident0 Ų034.9 Ų34.90%019%0.186CC..EExtended strand (participates in β ladder)trans-104108.1-178.2-57.2178.4000109V33 I62 V63 A64 F65 M72 A76 L146 L228V33-L148 HydrophobicContact CG1-CD2 4.24Å; V33-L148 HydrophobicContact CG2-CD2 4.23Å; I62-L148 HydrophobicContact CG2-CD1 3.9Å; I62-L148 HydrophobicContact CG2-CG 4.35Å; V63-L148 PolarHBondContact O-N 3.37Å; A64-L148 CarbonylContact C-O 3.47Å; A64-L148 VanDerWaalsContact CA-O 3.3Å; A64-L148 WeakPolarHBondContact CA-O 3.39Å; A64-L148 HydrophobicContact CB-CB 3.83Å; A64-L148 HydrophobicContact CB-CD1 4.29Å; A64-L148 HydrophobicContact CB-CG 4.5Å; F65-L148 PolarHBondContact N-O 2.69Å; M72-L148 HydrophobicContact CB-CB 4.05Å; M72-L148 HydrophobicContact CB-CD1 3.99Å; M72-L148 HydrophobicContact CB-CG 4.48Å; M72-L148 HydrophobicContact CE-CB 3.93Å; M72-L148 HydrophobicContact CE-CD2 4.34Å; M72-L148 HydrophobicContact SD-CB 4.19Å; A76-L148 HydrophobicContact CB-CD1 3.96Å; L146-L148 HydrophobicContact CD1-CD2 4.12Å; L146-L148 HydrophobicContact CD2-CD2 3.97Å; L146-L148 HydrophobicContact CD2-CG 4.42Å; L146-L148 HydrophobicContact CG-CD2 3.78Å; L146-L148 HydrophobicContact CG-CG 4.21Å; L148-L228 HydrophobicContact CD2-CB 3.96Å; L148-L228 HydrophobicContact CD2-CD1 4.01Å; L148-L228 HydrophobicContact CD2-CG 4.22Å
149V93.1Very high73.1Confident3 Ų335 Ų352%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-114.8121.5-173.7-170.90000109.1F65 V147 L228 I229 I230 V241 A242F65-V149 HydrophobicContact CD2-CG1 4.44Å; F65-V149 HydrophobicContact CE1-CG2 3.83Å; F65-V149 HydrophobicContact CE2-CB 4.31Å; F65-V149 HydrophobicContact CE2-CG1 3.63Å; F65-V149 HydrophobicContact CE2-CG2 4.08Å; F65-V149 HydrophobicContact CZ-CB 4.08Å; F65-V149 HydrophobicContact CZ-CG1 3.83Å; F65-V149 HydrophobicContact CZ-CG2 3.36Å; V147-V149 HydrophobicContact CG1-CG2 3.78Å; V149-L228 PolarHBondContact N-O 3.01Å; V149-I229 HydrophobicContact CB-CG1 4.17Å; V149-I229 HydrophobicContact CB-CG2 4.42Å; V149-I229 HydrophobicContact CG2-CG1 4.32Å; V149-I229 CarbonylContact O-C 3.45Å; V149-I229 WeakPolarHBondContact O-CA 3.29Å; V149-I230 PolarHBondContact O-N 3.48Å; V149-V241 HydrophobicContact CG1-CG1 4.21Å; V149-A242 HydrophobicContact CG1-CB 3.74Å
150S85.9Confident69.9Low4 Ų437.5 Ų37.53%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-113.6125.7161.969.70000109F65 G66 K67 A68F65-S150 PolarHBondContact O-N 3.13Å; G66-S150 VanDerWaalsContact C-OG 3.29Å; G66-S150 WeakPolarHBondContact CA-O 3.38Å; G66-S150 VanDerWaalsContact CA-OG 3.27Å; G66-S150 WeakPolarHBondContact CA-OG 3.45Å; K67-S150 PolarHBondContact N-OG 3.43Å; A68-S150 PolarHBondContact N-OG 3.14Å
151G65.3Low66.7Low0 Ų041.1 Ų41.10%022%0.221CC..  trans-59.8162.2177.700000113.8I230 D232G151-I230 PolarHBondContact N-O 2.88Å; G151-D232 WeakPolarHBondContact CA-OD1 3.11Å
152M58Low63.6Low20 Ų2047.5 Ų47.510%0.09924%0.243CC..  trans-144.6111160.9-117.3-17381.900106.6K67 N119 G167 D232K67-M152 HydrophobicContact CD-CG 3.57Å; K67-M152 HydrophobicContact CD-SD 3.45Å; K67-M152 WeakPolarHBondContact CD-SD 3.31Å; K67-M152 WeakPolarHBondContact CE-SD 3.25Å; K67-M152 HydrophobicContact CG-CG 3.94Å; K67-M152 HydrophobicContact CG-SD 3.48Å; K67-M152 WeakPolarHBondContact CG-SD 3.36Å; N119-M152 HydrophobicContact CB-CE 3.79Å; N119-M152 VanDerWaalsContact CG-CE 3.44Å; M152-G167 WeakPolarHBondContact SD-CA 3.25Å; M152-D232 WeakPolarHBondContact CA-OD2 3.48Å; M152-D232 PolarHBondContact N-OD1 3.37Å; M152-D232 VanDerWaalsContact N-OD1 3.12Å; M152-D232 PolarHBondContact N-OD2 2.87Å; M152-D232 VanDerWaalsContact N-OD2 3.1Å
153L42.6Very low60.8Low33 Ų3347.5 Ų47.517%0.17324%0.242CC..PPolyproline II helixtrans-75.2135.7179.5-155.3100.5000109.4D232 V233 E391L153-D232 WeakPolarHBondContact CB-O 3.47Å; L153-D232 WeakPolarHBondContact CD1-O 2.82Å; L153-D232 VanDerWaalsContact N-CG 3.31Å; L153-D232 PolarHBondContact N-OD1 2.9Å; L153-D232 PolarHBondContact N-OD2 2.91Å; L153-V233 VanDerWaalsContact CD1-CA 3.46Å; L153-V233 HydrophobicContact CD1-CB 4.06Å; L153-V233 HydrophobicContact CD1-CG1 4.25Å; L153-V233 HydrophobicContact CD1-CG2 3.88Å; L153-E391 HydrophobicContact CD2-CB 4.22Å; L153-E391 HydrophobicContact CD2-CG 4.16Å
154L40Very low57.6Low25 Ų2547.5 Ų47.513%0.13124%0.243CC..PPolyproline II helixtrans-83.9126153-80.4164.7000106.8G166 I198L154-G166 VanDerWaalsContact CD2-N 3.32Å; L154-I198 HydrophobicContact CB-CD1 4.2Å; L154-I198 HydrophobicContact CD1-CD1 4.29Å
155P38.4Very low54.4Low30 Ų3048.3 Ų48.320%0.19525%0.248CC..PPolyproline II helixtrans-64.4141.3169.9-5.316.7000110.5K157 T393P155-K157 PolarHBondContact O-N 3.23Å; P155-T393 HydrophobicContact CB-CG2 3.3Å; P155-T393 HydrophobicContact CG-CG2 4.49Å
156D36.3Very low51.4Low68 Ų6848.8 Ų48.836%0.36425%0.253SS..SBendtrans-62.9121.1171.6-86.2-51.6000110.3I198 T393D156-I198 WeakPolarHBondContact OD1-CB 3.26Å; D156-I198 WeakPolarHBondContact OD1-CG2 3.34Å; D156-T393 WeakPolarHBondContact O-CG2 3.4Å
157K33.9Very low49.3Very low168 Ų16848.7 Ų48.773%0.7325%0.253SS*.  trans79.499.1-176.6-55.8178.2176.4177.70115.4P155P155-K157 PolarHBondContact O-N 3.23Å
158I39.4Very low47.1Very low42 Ų4248.7 Ų48.722%0.21525%0.253CS..  trans-125.8106.5153.6-64176.5000108F163 C164I158-F163 HydrophobicContact CD1-CB 4.35Å; I158-C164 PolarHBondContact O-SG 2.78Å
159V30Very low45.7Very low103 Ų10349.1 Ų49.162%0.62426%0.256SS*.  trans-113.682162.5178.30000106
160S31.7Very low45.2Very low57 Ų5749 Ų4940%0.39926%0.255SS..SBendtrans-176.6144.9160.7-171.60000108.2F162 V396S160-F162 PolarHBondContact O-N 2.82Å; S160-V396 WeakPolarHBondContact CB-O 3.38Å; S160-V396 PolarHBondContact OG-O 2.81Å
161L29.2Very low45.3Very low145 Ų14548.9 Ų48.976%0.75926%0.255SS*.THydrogen-bonded Turntrans-48.5127.9-165.6-81.373.5000113.6
162F30.8Very low46.5Very low163 Ų16349.2 Ų49.272%0.71526%0.256SS*.THydrogen-bonded Turntrans118-10.3157.5-80.1-85.2000122S160S160-F162 PolarHBondContact O-N 2.82Å
163F36Very low48.1Very low114 Ų11448.4 Ų48.450%0.525%0.252SS..  trans-138.843.2-166.7-73.1-79.9000118.9I158I158-F163 HydrophobicContact CD1-CB 4.35Å
164C31.5Very low50.6Low19 Ų1947.3 Ų47.313%0.12825%0.247CC..SBendtrans-103.123.9179.4-620000116.7I158 S192I158-C164 PolarHBondContact O-SG 2.78Å; C164-S192 PolarHBondContact SG-OG 3.14Å
165S29.8Very low53.1Low18 Ų1846.7 Ų46.713%0.12624%0.244CC..  trans-143.896.9159.364.70000109.4N119 L120 P121N119-S165 CarbonylContact C-O 3.59Å; N119-S165 CarbonylContact O-C 3.48Å; L120-S165 VanDerWaalsContact CA-O 3.31Å; L120-S165 WeakPolarHBondContact CA-O 3.23Å; L120-S165 WeakPolarHBondContact CA-OG 3.2Å; L120-S165 WeakPolarHBondContact CD2-O 3.41Å; L120-S165 WeakPolarHBondContact CD2-OG 3.35Å; L120-S165 PolarHBondContact N-O 3.37Å; P121-S165 WeakPolarHBondContact CD-OG 3.37Å
166G36.3Very low55.6Low10 Ų1046.1 Ų46.110%0.10324%0.239CC..  trans-122.5107-177.900000111.1N119 L154N119-G166 WeakPolarHBondContact O-CA 3.4Å; L154-G166 VanDerWaalsContact CD2-N 3.32Å
167G51.8Low58.1Low1 Ų149.4 Ų49.41%0.0126%0.257CS..SBendtrans79.3155.1149.300000121.3N119 M152 S169N119-G167 PolarHBondContact O-N 3.05Å; M152-G167 WeakPolarHBondContact SD-CA 3.25Å; G167-S169 WeakPolarHBondContact O-CB 3.48Å; G167-S169 PolarHBondContact O-N 3.21Å
168G52.6Low60.7Low0 Ų044.2 Ų44.20%025%0.251CS..SBendtrans55.2-67.9-165.800000113.1A170 L171 L172G168-A170 PolarHBondContact O-N 3.26Å; G168-L171 PolarHBondContact O-N 3.01Å; G168-L172 PolarHBondContact O-N 3.29Å
169S67.7Low63.1Low8 Ų842.7 Ų42.76%0.05624%0.244CC..THydrogen-bonded Turntrans-54.9-28.7170.6-51.90000114.2G167 R205 K212 S243G167-S169 WeakPolarHBondContact O-CB 3.48Å; G167-S169 PolarHBondContact O-N 3.21Å; S169-R205 PolarHBondContact OG-NH2 3.32Å; S169-K212 VanDerWaalsContact O-CE 3.28Å; S169-K212 WeakPolarHBondContact O-CE 3.46Å; S169-K212 PolarHBondContact O-NZ 3.49Å; S169-S243 WeakPolarHBondContact CB-OG 3.35Å; S169-S243 PolarHBondContact OG-OG 2.53Å
170A81.3Confident66.1Low1 Ų140.1 Ų40.11%0.00823%0.23CC..THydrogen-bonded Turntrans-83-17.8176.700000114A116 N119 P121 A125 G168 P173A116-A170 HydrophobicContact CB-CB 3.94Å; N119-A170 WeakPolarHBondContact O-CB 3.36Å; P121-A170 HydrophobicContact CG-CB 4.03Å; A125-A170 WeakPolarHBondContact CB-O 3.48Å; G168-A170 PolarHBondContact O-N 3.26Å; A170-P173 VanDerWaalsContact O-CD 3.26Å; A170-P173 WeakPolarHBondContact O-CD 3.22Å; A170-P173 WeakPolarHBondContact O-CG 3.35Å
171L89Confident68.9Low2 Ų238.4 Ų38.41%0.0122%0.217CC..THydrogen-bonded Turntrans-90.9-21.5179.8-71165000112.4F65 G66 S90 V91 A116 G168 P173F65-L171 HydrophobicContact CB-CB 4.39Å; G66-L171 VanDerWaalsContact CA-CD1 3.45Å; S90-L171 PolarHBondContact OG-O 3.39Å; V91-L171 WeakPolarHBondContact O-CD2 3.13Å; A116-L171 HydrophobicContact CB-CD2 3.61Å; A116-L171 HydrophobicContact CB-CG 4.04Å; G168-L171 PolarHBondContact O-N 3.01Å; L171-P173 WeakPolarHBondContact O-CD 3.25Å
172L90.9Very high71.8Confident7 Ų736 Ų364%0.03720%0.203CC..SBendtrans-116.859.9166.4-69.2-176.1000113.7F65 S129 V132 G168 L174 L211 K212F65-L172 HydrophobicContact CB-CD1 4.1Å; F65-L172 HydrophobicContact CB-CG 3.89Å; F65-L172 HydrophobicContact CD1-CD1 3.21Å; F65-L172 HydrophobicContact CD1-CG 3.98Å; F65-L172 HydrophobicContact CD2-CD1 3.73Å; F65-L172 HydrophobicContact CD2-CG 4.04Å; F65-L172 HydrophobicContact CE1-CD1 3.42Å; F65-L172 VanDerWaalsContact CE1-CD1 3.42Å; F65-L172 HydrophobicContact CE2-CD1 3.91Å; F65-L172 HydrophobicContact CG-CD1 3.39Å; F65-L172 HydrophobicContact CG-CG 3.69Å; F65-L172 HydrophobicContact CZ-CD1 3.79Å; S129-L172 VanDerWaalsContact OG-C 3.24Å; S129-L172 VanDerWaalsContact OG-CA 3.25Å; S129-L172 WeakPolarHBondContact OG-CA 3.49Å; V132-L172 HydrophobicContact CG2-CD2 4.11Å; G168-L172 PolarHBondContact O-N 3.29Å; L172-L174 PolarHBondContact O-N 2.86Å; L172-L211 HydrophobicContact CB-CD1 4.29Å; L172-L211 HydrophobicContact CD2-CD1 4.46Å; L172-K212 PolarHBondContact O-NZ 2.84Å
173P91.7Very high74.7Confident2 Ų229.9 Ų29.91%0.01318%0.178CC..  trans-80.6115.2173.534.1-30.4000110.1P121 A125 L126 S129 A170 L171 L181P121-P173 HydrophobicContact CB-CB 3.84Å; P121-P173 HydrophobicContact CB-CG 4.03Å; A125-P173 HydrophobicContact CB-CG 3.63Å; A125-P173 WeakPolarHBondContact O-CD 3.37Å; L126-P173 WeakPolarHBondContact CA-O 3.43Å; L126-P173 WeakPolarHBondContact CD1-O 3.41Å; S129-P173 WeakPolarHBondContact CB-O 3.43Å; S129-P173 VanDerWaalsContact OG-CD 3.32Å; S129-P173 WeakPolarHBondContact OG-CD 3.48Å; S129-P173 PolarHBondContact OG-O 2.95Å; A170-P173 VanDerWaalsContact O-CD 3.26Å; A170-P173 WeakPolarHBondContact O-CD 3.22Å; A170-P173 WeakPolarHBondContact O-CG 3.35Å; L171-P173 WeakPolarHBondContact O-CD 3.25Å; P173-L181 HydrophobicContact CB-CD1 3.85Å
174L94.2Very high77.3Confident11 Ų1125.1 Ų25.16%0.05816%0.157CC..  trans-13699.1165.7-165.461.3000108L126 V133 L172 S209 I210 L211L126-L174 HydrophobicContact CD1-CD1 3.67Å; V133-L174 HydrophobicContact CG2-CD2 3.5Å; L172-L174 PolarHBondContact O-N 2.86Å; L174-S209 CarbonylContact O-C 3.54Å; L174-S209 WeakPolarHBondContact O-CA 3.33Å; L174-S209 PolarHBondContact O-OG 3.12Å; L174-I210 HydrophobicContact CB-CB 4.3Å; L174-I210 HydrophobicContact CD2-CB 3.87Å; L174-I210 HydrophobicContact CD2-CD1 4.12Å; L174-I210 HydrophobicContact CD2-CG2 3.92Å; L174-I210 HydrophobicContact CG-CB 4.01Å; L174-I210 HydrophobicContact CG-CD1 4.07Å; L174-I210 HydrophobicContact CG-CG1 4.41Å; L174-I210 PolarHBondContact O-N 3.48Å; L174-L211 HydrophobicContact CB-CD1 4Å; L174-L211 HydrophobicContact CB-CG 4.03Å; L174-L211 HydrophobicContact CD2-CD1 4.2Å; L174-L211 HydrophobicContact CD2-CG 4.02Å
175P92.7Very high80Confident12 Ų1226.9 Ų26.98%0.07816%0.163CC..BIsolated β-bridgetrans-59.5156.3173.8-22.534000112V179 L181 K184 L208 I210P175-V179 HydrophobicContact CB-CB 4.42Å; P175-V179 WeakPolarHBondContact CB-O 3.27Å; P175-L181 HydrophobicContact CG-CB 4.25Å; P175-L181 HydrophobicContact CG-CD1 4.15Å; P175-K184 HydrophobicContact CB-CD 4.32Å; P175-K184 HydrophobicContact CG-CD 4.13Å; P175-L208 WeakPolarHBondContact CA-O 3.41Å; P175-I210 WeakPolarHBondContact O-CD1 3.35Å; P175-I210 WeakPolarHBondContact O-CG1 3.38Å
176I91Very high82.9Confident17 Ų1733.9 Ų33.99%0.08719%0.187CC..PPolyproline II helixtrans-65.7153.6168.757.5174.7000110.7G178 V179 L208 I210 L276I176-G178 PolarHBondContact O-N 3.48Å; I176-V179 HydrophobicContact CD1-CG2 4.08Å; I176-V179 HydrophobicContact CG1-CB 4.15Å; I176-V179 HydrophobicContact CG1-CG2 3.72Å; I176-V179 PolarHBondContact O-N 3.42Å; I176-L208 HydrophobicContact CD1-CD2 4.24Å; I176-I210 HydrophobicContact CG2-CG1 4.32Å; I176-L276 HydrophobicContact CD1-CB 4Å; I176-L276 HydrophobicContact CD1-CD1 3.88Å; I176-L276 HydrophobicContact CD1-CG 4.42Å; I176-L276 HydrophobicContact CG1-CD1 4.32Å
177N88.7Confident85.5Confident138 Ų13833.6 Ų33.674%0.73818%0.183SC*.THydrogen-bonded Turntrans-54.2133.5177.2-70.5-19.1000110.6L276N177-L276 WeakPolarHBondContact O-CD1 3.5Å
178G88.1Confident87.3Confident59 Ų5934 Ų3461%0.60819%0.185SC*.THydrogen-bonded Turntrans90.3-11.8-176.900000114.8I176 N272I176-G178 PolarHBondContact O-N 3.48Å; G178-N272 PolarHBondContact O-ND2 2.93Å
179V90.8Very high88.8Confident10 Ų1036.7 Ų36.76%0.06120%0.2CC..  trans-108.6123.2174.6-177.80000109.7P175 I176 D183 K184 V273 L276P175-V179 HydrophobicContact CB-CB 4.42Å; P175-V179 WeakPolarHBondContact CB-O 3.27Å; I176-V179 HydrophobicContact CD1-CG2 4.08Å; I176-V179 HydrophobicContact CG1-CB 4.15Å; I176-V179 HydrophobicContact CG1-CG2 3.72Å; I176-V179 PolarHBondContact O-N 3.42Å; V179-D183 HydrophobicContact CG1-CB 4.26Å; V179-K184 HydrophobicContact CG1-CB 4.25Å; V179-V273 HydrophobicContact CG1-CG2 4.15Å; V179-V273 HydrophobicContact CG2-CG2 3.77Å; V179-L276 HydrophobicContact CG2-CD1 3.57Å
180S92.2Very high89.9Confident49 Ų4936.5 Ų36.534%0.34320%0.2SC..  trans-73.1157.5176.777.30000111.7I182 D183 K184S180-I182 PolarHBondContact O-N 3.47Å; S180-D183 WeakPolarHBondContact CB-OD2 3.29Å; S180-D183 PolarHBondContact O-N 3.25Å; S180-D183 WeakPolarHBondContact OG-CB 3.32Å; S180-D183 PolarHBondContact OG-N 3.48Å; S180-D183 PolarHBondContact OG-OD2 3.01Å; S180-K184 PolarHBondContact O-N 2.96Å
181L91.4Very high90.3Very high21 Ų2136.5 Ų36.511%0.1120%0.199CC..Hα-helixtrans-57.9-40.2173.5-177.662.8000111.4P121 D122 L126 P173 P175 K184 Q185P121-L181 HydrophobicContact CB-CD1 3.92Å; D122-L181 WeakPolarHBondContact O-CD2 3.41Å; L126-L181 HydrophobicContact CB-CD2 4.26Å; L126-L181 HydrophobicContact CD2-CB 4.43Å; L126-L181 HydrophobicContact CD2-CD2 4.36Å; P173-L181 HydrophobicContact CB-CD1 3.85Å; P175-L181 HydrophobicContact CG-CB 4.25Å; P175-L181 HydrophobicContact CG-CD1 4.15Å; L181-K184 PolarHBondContact O-N 2.97Å; L181-Q185 VanDerWaalsContact O-CG 3.3Å; L181-Q185 WeakPolarHBondContact O-CG 3.42Å; L181-Q185 PolarHBondContact O-N 2.96Å
182I90.6Very high90Very high94 Ų9437.2 Ų37.248%0.48220%0.204SC..Hα-helixtrans-64.4-44.7179.2-66.7161.6000111S180 Q185 R186S180-I182 PolarHBondContact O-N 3.47Å; I182-Q185 WeakPolarHBondContact O-CB 3.49Å; I182-Q185 PolarHBondContact O-N 2.94Å; I182-R186 HydrophobicContact CG2-CG 4.44Å; I182-R186 WeakPolarHBondContact O-CG 3.32Å; I182-R186 PolarHBondContact O-N 2.92Å
183D91.1Very high89.6Confident34 Ų3442.7 Ų42.718%0.18223%0.228CC..Hα-helixtrans-63.6-44.7178.9-65.9-38.7000111V179 S180 Q185 R186 I187 P270V179-D183 HydrophobicContact CG1-CB 4.26Å; S180-D183 WeakPolarHBondContact CB-OD2 3.29Å; S180-D183 PolarHBondContact O-N 3.25Å; S180-D183 WeakPolarHBondContact OG-CB 3.32Å; S180-D183 PolarHBondContact OG-N 3.48Å; S180-D183 PolarHBondContact OG-OD2 3.01Å; D183-Q185 VanDerWaalsContact C-N 3.29Å; D183-Q185 PolarHBondContact O-N 2.91Å; D183-R186 PolarHBondContact O-N 3.4Å; D183-R186 IonicContact OD1-NH1 2.65Å; D183-I187 VanDerWaalsContact O-CG1 3.31Å; D183-I187 WeakPolarHBondContact O-CG1 3.35Å; D183-I187 PolarHBondContact O-N 2.8Å; D183-P270 HydrophobicContact CB-CG 4.15Å
184K90.8Very high89.6Confident14 Ų1448.1 Ų48.16%0.06125%0.248CC..Hα-helixtrans-57.4-43.8174.9-178.4176.8-177.6162.30111.7P175 V179 S180 L181 I187 V188 L208 S209P175-K184 HydrophobicContact CB-CD 4.32Å; P175-K184 HydrophobicContact CG-CD 4.13Å; V179-K184 HydrophobicContact CG1-CB 4.25Å; S180-K184 PolarHBondContact O-N 2.96Å; L181-K184 PolarHBondContact O-N 2.97Å; K184-I187 PolarHBondContact O-N 2.82Å; K184-V188 VanDerWaalsContact O-CG2 3.29Å; K184-V188 WeakPolarHBondContact O-CG2 3.38Å; K184-V188 PolarHBondContact O-N 2.87Å; K184-V188 VanDerWaalsContact O-N 3.09Å; K184-L208 HydrophobicContact CD-CB 4.45Å; K184-L208 WeakPolarHBondContact CD-O 3.13Å; K184-L208 WeakPolarHBondContact CE-O 3.32Å; K184-L208 HydrophobicContact CG-CB 4.42Å; K184-L208 PolarHBondContact NZ-O 2.97Å; K184-S209 PolarHBondContact NZ-OG 3.44Å
185Q88.1Confident89.1Confident56 Ų5650 Ų5026%0.26227%0.27SS..Hα-helixtrans-63.4-45.6176.8-75.6175-36.600112.3P121 L181 I182 D183 I187 V188 D189P121-Q185 HydrophobicContact CG-CG 4.45Å; P121-Q185 PolarHBondContact O-NE2 3.1Å; L181-Q185 VanDerWaalsContact O-CG 3.3Å; L181-Q185 WeakPolarHBondContact O-CG 3.42Å; L181-Q185 PolarHBondContact O-N 2.96Å; I182-Q185 WeakPolarHBondContact O-CB 3.49Å; I182-Q185 PolarHBondContact O-N 2.94Å; D183-Q185 VanDerWaalsContact C-N 3.29Å; D183-Q185 PolarHBondContact O-N 2.91Å; Q185-I187 VanDerWaalsContact C-N 3.32Å; Q185-I187 PolarHBondContact O-N 3.41Å; Q185-V188 PolarHBondContact O-N 3.09Å; Q185-D189 VanDerWaalsContact O-CB 3.27Å; Q185-D189 WeakPolarHBondContact O-CB 3.38Å; Q185-D189 PolarHBondContact O-N 2.71Å
186R90.1Very high88.8Confident166 Ų16650 Ų5063%0.62627%0.271SS*.Hα-helixtrans-59.6-41.4178.1-74.5173176.4169.5-1.8112.3I182 D183 G190I182-R186 HydrophobicContact CG2-CG 4.44Å; I182-R186 WeakPolarHBondContact O-CG 3.32Å; I182-R186 PolarHBondContact O-N 2.92Å; D183-R186 PolarHBondContact O-N 3.4Å; D183-R186 IonicContact OD1-NH1 2.65Å; R186-G190 PolarHBondContact O-N 3.48Å
187I91.6Very high88.4Confident3 Ų351.2 Ų51.22%0.01528%0.281CS..Hα-helixtrans-64.4-49.7176.9-67165.6000110.3D183 K184 Q185 G190 L191 V204 L208 L260 F264 V269 V273D183-I187 VanDerWaalsContact O-CG1 3.31Å; D183-I187 WeakPolarHBondContact O-CG1 3.35Å; D183-I187 PolarHBondContact O-N 2.8Å; K184-I187 PolarHBondContact O-N 2.82Å; Q185-I187 VanDerWaalsContact C-N 3.32Å; Q185-I187 PolarHBondContact O-N 3.41Å; I187-G190 PolarHBondContact O-N 2.98Å; I187-L191 HydrophobicContact CG2-CD1 4.44Å; I187-L191 WeakPolarHBondContact O-CG 3.43Å; I187-L191 PolarHBondContact O-N 2.91Å; I187-V204 HydrophobicContact CG2-CG1 4Å; I187-L208 HydrophobicContact CD1-CD1 3.98Å; I187-L208 HydrophobicContact CG2-CD1 4.28Å; I187-L260 HydrophobicContact CG2-CD2 3.63Å; I187-F264 HydrophobicContact CG2-CE2 4.1Å; I187-F264 WeakPolarHBondContact O-CZ 3.46Å; I187-V269 HydrophobicContact CD1-CG1 4.05Å; I187-V269 HydrophobicContact CG1-CG2 4.45Å; I187-V273 HydrophobicContact CD1-CB 4.48Å; I187-V273 HydrophobicContact CD1-CG1 4.1Å; I187-V273 HydrophobicContact CD1-CG2 3.92Å
188V88.4Confident87.8Confident10 Ų1046.1 Ų46.16%0.06125%0.254CS..Hα-helixtrans-62.5-46.3-179.1171.30000111.7K184 Q185 G190 L191 S192 I201 R205K184-V188 VanDerWaalsContact O-CG2 3.29Å; K184-V188 WeakPolarHBondContact O-CG2 3.38Å; K184-V188 PolarHBondContact O-N 2.87Å; K184-V188 VanDerWaalsContact O-N 3.09Å; Q185-V188 PolarHBondContact O-N 3.09Å; V188-G190 VanDerWaalsContact C-N 3.33Å; V188-G190 PolarHBondContact O-N 2.85Å; V188-L191 PolarHBondContact O-N 3.18Å; V188-S192 PolarHBondContact O-N 2.73Å; V188-S192 VanDerWaalsContact O-N 3.11Å; V188-I201 HydrophobicContact CG1-CG2 4.04Å; V188-R205 HydrophobicContact CG1-CG 4.47Å; V188-R205 HydrophobicContact CG2-CG 3.57Å
189D85.6Confident87.6Confident56 Ų5648.5 Ų48.530%0.29925%0.247SC..Hα-helixtrans-61.8-42175.6177.753.9000111.4Q185 L191 S192 K193Q185-D189 VanDerWaalsContact O-CB 3.27Å; Q185-D189 WeakPolarHBondContact O-CB 3.38Å; Q185-D189 PolarHBondContact O-N 2.71Å; D189-L191 PolarHBondContact O-N 2.72Å; D189-S192 PolarHBondContact O-N 3.14Å; D189-K193 WeakPolarHBondContact O-CB 3.49Å; D189-K193 WeakPolarHBondContact O-CG 3.31Å; D189-K193 PolarHBondContact O-N 3.42Å; D189-K193 WeakPolarHBondContact OD1-CE 3.37Å; D189-K193 IonicContact OD1-NZ 3.96Å; D189-K193 PolarHBondContact OD1-NZ 3.25Å; D189-K193 VanDerWaalsContact OD2-CE 3.29Å; D189-K193 WeakPolarHBondContact OD2-CE 3.5Å; D189-K193 IonicContact OD2-NZ 2.69Å; D189-K193 PolarHBondContact OD2-NZ 3.31Å
190G90.2Very high87.5Confident5 Ų549.2 Ų49.25%0.05225%0.25CS..Hα-helixtrans-65.2-35.8177.800000114R186 I187 V188 R194 F264R186-G190 PolarHBondContact O-N 3.48Å; I187-G190 PolarHBondContact O-N 2.98Å; V188-G190 VanDerWaalsContact C-N 3.33Å; V188-G190 PolarHBondContact O-N 2.85Å; G190-R194 WeakPolarHBondContact O-CD 3.3Å; G190-R194 VanDerWaalsContact O-CG 3.27Å; G190-R194 WeakPolarHBondContact O-CG 3.41Å; G190-R194 PolarHBondContact O-N 3.25Å; G190-R194 PolarHBondContact O-NH1 3.21Å; G190-F264 VanDerWaalsContact C-CZ 3.49Å
191L89.9Confident87.3Confident0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-64.2-50.2172.2-73.6174.5000110.7I187 V188 D189 K193 R194 G195 A196 I201 V204 V259 L260 Y263 F264I187-L191 HydrophobicContact CG2-CD1 4.44Å; I187-L191 WeakPolarHBondContact O-CG 3.43Å; I187-L191 PolarHBondContact O-N 2.91Å; V188-L191 PolarHBondContact O-N 3.18Å; D189-L191 PolarHBondContact O-N 2.72Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-K193 PolarHBondContact O-N 3Å; L191-R194 CarbonylContact O-C 3.25Å; L191-R194 PolarHBondContact O-N 3.36Å; L191-R194 VanDerWaalsContact O-N 3.11Å; L191-G195 PolarHBondContact O-N 3.09Å; L191-A196 HydrophobicContact CB-CB 3.85Å; L191-A196 HydrophobicContact CD2-CB 4.34Å; L191-A196 WeakPolarHBondContact O-CB 3.42Å; L191-A196 PolarHBondContact O-N 3.25Å; L191-A196 VanDerWaalsContact O-N 3.1Å; L191-I201 HydrophobicContact CB-CG1 3.89Å; L191-I201 HydrophobicContact CD1-CG1 4.36Å; L191-V204 HydrophobicContact CD1-CB 3.9Å; L191-V204 HydrophobicContact CD1-CG1 4.06Å; L191-V204 HydrophobicContact CD1-CG2 3.88Å; L191-V259 HydrophobicContact CD1-CG1 4.43Å; L191-V259 HydrophobicContact CD2-CG1 4.08Å; L191-L260 HydrophobicContact CD2-CD2 4.4Å; L191-Y263 HydrophobicContact CD2-CD2 3.86Å; L191-Y263 HydrophobicContact CD2-CG 4Å; L191-F264 HydrophobicContact CD2-CD2 4Å; L191-F264 HydrophobicContact CD2-CE2 3.51Å; L191-F264 HydrophobicContact CD2-CZ 4.39Å; L191-F264 HydrophobicContact CG-CE2 3.65Å; L191-F264 HydrophobicContact CG-CZ 4.26Å
192S81.8Confident87.1Confident17 Ų1746.7 Ų46.712%0.11923%0.233CC..Hα-helixtrans-59.3-45.3-179.4-1720000111.8C164 V188 D189 R194 G195C164-S192 PolarHBondContact SG-OG 3.14Å; V188-S192 PolarHBondContact O-N 2.73Å; V188-S192 VanDerWaalsContact O-N 3.11Å; D189-S192 PolarHBondContact O-N 3.14Å; S192-R194 PolarHBondContact O-N 3.12Å; S192-G195 PolarHBondContact O-N 3.48Å; S192-G195 VanDerWaalsContact O-N 3.09Å
193K83Confident87Confident123 Ų12344.1 Ų44.154%0.53522%0.22SC..Hα-helixtrans-63.2-23178.9-76.8172.4175.4167.30113.7D189 L191D189-K193 WeakPolarHBondContact O-CB 3.49Å; D189-K193 WeakPolarHBondContact O-CG 3.31Å; D189-K193 PolarHBondContact O-N 3.42Å; D189-K193 WeakPolarHBondContact OD1-CE 3.37Å; D189-K193 IonicContact OD1-NZ 3.96Å; D189-K193 PolarHBondContact OD1-NZ 3.25Å; D189-K193 VanDerWaalsContact OD2-CE 3.29Å; D189-K193 WeakPolarHBondContact OD2-CE 3.5Å; D189-K193 IonicContact OD2-NZ 2.69Å; D189-K193 PolarHBondContact OD2-NZ 3.31Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-K193 PolarHBondContact O-N 3Å
194R91.2Very high87Confident115 Ų11542.5 Ų42.543%0.43421%0.211SC..THydrogen-bonded Turntrans-98.59.6178.8-65.3175.4175.872.6-6.1113G190 L191 S192 Y263 F264G190-R194 WeakPolarHBondContact O-CD 3.3Å; G190-R194 VanDerWaalsContact O-CG 3.27Å; G190-R194 WeakPolarHBondContact O-CG 3.41Å; G190-R194 PolarHBondContact O-N 3.25Å; G190-R194 PolarHBondContact O-NH1 3.21Å; L191-R194 CarbonylContact O-C 3.25Å; L191-R194 PolarHBondContact O-N 3.36Å; L191-R194 VanDerWaalsContact O-N 3.11Å; S192-R194 PolarHBondContact O-N 3.12Å; R194-Y263 HydrophobicContact CB-CD1 3.77Å; R194-Y263 WeakPolarHBondContact CD-O 3.07Å; R194-Y263 PolarHBondContact NE-O 2.8Å; R194-Y263 VanDerWaalsContact NE-O 3.16Å; R194-Y263 WeakPolarHBondContact O-CD1 3.36Å; R194-Y263 WeakPolarHBondContact O-CE1 3.26Å; R194-F264 VanDerWaalsContact NH1-CE1 3.34Å
195G84.9Confident87Confident51 Ų5142.6 Ų42.653%0.52621%0.211SC..THydrogen-bonded Turntrans80.622.7173.300000114.7L191 S192L191-G195 PolarHBondContact O-N 3.09Å; S192-G195 PolarHBondContact O-N 3.48Å; S192-G195 VanDerWaalsContact O-N 3.09Å
196A85.8Confident87Confident11 Ų1140 Ų409%0.09120%0.199CC..  trans-61.1136.316700000110.5L191 E200 I201 Y263L191-A196 HydrophobicContact CB-CB 3.85Å; L191-A196 HydrophobicContact CD2-CB 4.34Å; L191-A196 WeakPolarHBondContact O-CB 3.42Å; L191-A196 PolarHBondContact O-N 3.25Å; L191-A196 VanDerWaalsContact O-N 3.1Å; A196-E200 HydrophobicContact CB-CB 4.35Å; A196-I201 HydrophobicContact CB-CD1 4.24Å; A196-I201 HydrophobicContact CB-CG1 3.82Å; A196-Y263 VanDerWaalsContact CA-CZ 3.43Å; A196-Y263 WeakPolarHBondContact CA-OH 3.48Å; A196-Y263 HydrophobicContact CB-CD1 4.32Å; A196-Y263 HydrophobicContact CB-CD2 4.02Å; A196-Y263 HydrophobicContact CB-CE1 3.98Å; A196-Y263 HydrophobicContact CB-CE2 3.69Å; A196-Y263 HydrophobicContact CB-CG 4.36Å
197S82.8Confident87Confident43 Ų4333 Ų3330%0.30117%0.173SC..  trans-66.2159.3173.3650000111.3F199 E200 I201S197-F199 PolarHBondContact O-N 3.49Å; S197-E200 WeakPolarHBondContact CB-OE2 3.24Å; S197-E200 PolarHBondContact N-OE2 3.3Å; S197-E200 PolarHBondContact O-N 3.35Å; S197-E200 VanDerWaalsContact O-N 3.14Å; S197-E200 VanDerWaalsContact OG-CD 3.24Å; S197-E200 VanDerWaalsContact OG-CG 3.24Å; S197-E200 WeakPolarHBondContact OG-CG 3.34Å; S197-E200 PolarHBondContact OG-N 3.18Å; S197-E200 PolarHBondContact OG-OE2 2.95Å; S197-I201 WeakPolarHBondContact O-CG1 3.17Å; S197-I201 PolarHBondContact O-N 2.79Å
198I76.2Confident87Confident31 Ų3132.8 Ų32.816%0.15917%0.172CC..Hα-helixtrans-58.1-34.2176.3-169.555.9000112.5L154 D156 I201 N202L154-I198 HydrophobicContact CB-CD1 4.2Å; L154-I198 HydrophobicContact CD1-CD1 4.29Å; D156-I198 WeakPolarHBondContact OD1-CB 3.26Å; D156-I198 WeakPolarHBondContact OD1-CG2 3.34Å; I198-I201 PolarHBondContact O-N 2.99Å; I198-N202 VanDerWaalsContact O-CB 3.27Å; I198-N202 WeakPolarHBondContact O-CB 3.47Å; I198-N202 PolarHBondContact O-N 2.73Å; I198-N202 PolarHBondContact O-ND2 2.87Å
199F82.6Confident87.2Confident109 Ų10932.3 Ų32.348%0.47817%0.169SC..Hα-helixtrans-63-46.7177.1-63-72000111.2S197 N202 I203 F240S197-F199 PolarHBondContact O-N 3.49Å; F199-N202 PolarHBondContact O-N 3.04Å; F199-I203 WeakPolarHBondContact O-CG1 3.48Å; F199-I203 PolarHBondContact O-N 3Å; F199-F240 HydrophobicContact CD1-CE1 4.01Å; F199-F240 AromaticContact CD1-CE2 3.87Å; F199-F240 HydrophobicContact CD1-CE2 3.87Å; F199-F240 AromaticContact CD1-CZ 3.52Å; F199-F240 HydrophobicContact CD1-CZ 3.52Å; F199-F240 HydrophobicContact CE1-CD2 4.18Å; F199-F240 HydrophobicContact CE1-CE1 4.5Å; F199-F240 AromaticContact CE1-CE2 3.57Å; F199-F240 HydrophobicContact CE1-CE2 3.57Å; F199-F240 AromaticContact CE1-CZ 3.76Å; F199-F240 HydrophobicContact CE1-CZ 3.76Å
200E89.6Confident87.6Confident25 Ų2531.9 Ų31.912%0.11717%0.166CC..Hα-helixtrans-65.3-43.9178.2-69.2165.5133.400111.9A196 S197 N202 I203 V204 V259 R262 Y263A196-E200 HydrophobicContact CB-CB 4.35Å; S197-E200 WeakPolarHBondContact CB-OE2 3.24Å; S197-E200 PolarHBondContact N-OE2 3.3Å; S197-E200 PolarHBondContact O-N 3.35Å; S197-E200 VanDerWaalsContact O-N 3.14Å; S197-E200 VanDerWaalsContact OG-CD 3.24Å; S197-E200 VanDerWaalsContact OG-CG 3.24Å; S197-E200 WeakPolarHBondContact OG-CG 3.34Å; S197-E200 PolarHBondContact OG-N 3.18Å; S197-E200 PolarHBondContact OG-OE2 2.95Å; E200-N202 VanDerWaalsContact C-N 3.31Å; E200-N202 PolarHBondContact O-N 3.25Å; E200-I203 WeakPolarHBondContact O-CB 3.18Å; E200-I203 PolarHBondContact O-N 2.95Å; E200-V204 PolarHBondContact O-N 3.47Å; E200-V259 HydrophobicContact CB-CG1 3.87Å; E200-V259 HydrophobicContact CB-CG2 4.03Å; E200-V259 HydrophobicContact CG-CG2 4.17Å; E200-R262 IonicContact OE1-CZ 3.72Å; E200-R262 IonicContact OE1-NH1 3.37Å; E200-R262 PolarHBondContact OE1-NH1 2.69Å; E200-R262 IonicContact OE1-NH2 3.68Å; E200-R262 PolarHBondContact OE1-NH2 3.32Å; E200-Y263 PolarHBondContact OE2-OH 3.22Å
201I88.4Confident87.7Confident11 Ų1131.7 Ų31.76%0.05616%0.164CC..Hα-helixtrans-59.9-43.6175-68.6169.8000110.4V188 L191 A196 S197 I198 V204 R205V188-I201 HydrophobicContact CG1-CG2 4.04Å; L191-I201 HydrophobicContact CB-CG1 3.89Å; L191-I201 HydrophobicContact CD1-CG1 4.36Å; A196-I201 HydrophobicContact CB-CD1 4.24Å; A196-I201 HydrophobicContact CB-CG1 3.82Å; S197-I201 WeakPolarHBondContact O-CG1 3.17Å; S197-I201 PolarHBondContact O-N 2.79Å; I198-I201 PolarHBondContact O-N 2.99Å; I201-V204 PolarHBondContact O-N 3.49Å; I201-R205 HydrophobicContact CG2-CG 4.14Å; I201-R205 WeakPolarHBondContact O-CB 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.41Å; I201-R205 PolarHBondContact O-N 3.43Å
202N86.2Confident87.8Confident6 Ų632 Ų323%0.03217%0.166CC..Hα-helixtrans-66.3-37.7-179.9-76.9-20.2000112.7I198 F199 E200 V204 R205 H206 F240I198-N202 VanDerWaalsContact O-CB 3.27Å; I198-N202 WeakPolarHBondContact O-CB 3.47Å; I198-N202 PolarHBondContact O-N 2.73Å; I198-N202 PolarHBondContact O-ND2 2.87Å; F199-N202 PolarHBondContact O-N 3.04Å; E200-N202 VanDerWaalsContact C-N 3.31Å; E200-N202 PolarHBondContact O-N 3.25Å; N202-V204 PolarHBondContact O-N 3.19Å; N202-R205 PolarHBondContact O-N 3.32Å; N202-R205 PolarHBondContact OD1-NH1 3.42Å; N202-H206 WeakPolarHBondContact O-CB 3.47Å; N202-H206 PolarHBondContact O-CD2 3.29Å; N202-H206 PolarHBondContact O-N 3.33Å; N202-F240 HydrophobicContact CB-CD1 4.19Å; N202-F240 HydrophobicContact CB-CE1 4.35Å; N202-F240 WeakPolarHBondContact ND2-CD1 3.07Å
203I88.9Confident88.1Confident40 Ų4031.2 Ų31.221%0.20516%0.16CC..Hα-helixtrans-53.5-54.4172.2-70.5166.9000109.7F199 E200 R205 H206 H207 D255 A256 V259F199-I203 WeakPolarHBondContact O-CG1 3.48Å; F199-I203 PolarHBondContact O-N 3Å; E200-I203 WeakPolarHBondContact O-CB 3.18Å; E200-I203 PolarHBondContact O-N 2.95Å; I203-R205 PolarHBondContact O-N 3.25Å; I203-H206 PolarHBondContact O-N 2.89Å; I203-H207 PolarHBondContact O-CD2 3.33Å; I203-H207 PolarHBondContact O-N 2.93Å; I203-D255 HydrophobicContact CG2-CB 4.02Å; I203-A256 HydrophobicContact CG2-CB 4.04Å; I203-V259 HydrophobicContact CB-CG2 4.48Å; I203-V259 HydrophobicContact CD1-CG2 4.41Å; I203-V259 HydrophobicContact CG2-CG2 4.31Å
204V91Very high88.5Confident0 Ų025.4 Ų25.40%014%0.135CC..Hα-helixtrans-63.4-43.2-180176.10000111.3I187 L191 E200 I201 N202 H206 H207 L208 A256 V259 L260I187-V204 HydrophobicContact CG2-CG1 4Å; L191-V204 HydrophobicContact CD1-CB 3.9Å; L191-V204 HydrophobicContact CD1-CG1 4.06Å; L191-V204 HydrophobicContact CD1-CG2 3.88Å; E200-V204 PolarHBondContact O-N 3.47Å; I201-V204 PolarHBondContact O-N 3.49Å; N202-V204 PolarHBondContact O-N 3.19Å; V204-H206 VanDerWaalsContact C-N 3.3Å; V204-H206 PolarHBondContact O-N 3.33Å; V204-H207 PolarHBondContact O-N 3.34Å; V204-L208 HydrophobicContact CG1-CD1 3.67Å; V204-L208 HydrophobicContact CG1-CG 4.14Å; V204-L208 WeakPolarHBondContact O-CB 3.47Å; V204-L208 WeakPolarHBondContact O-CG 3.37Å; V204-L208 PolarHBondContact O-N 3.31Å; V204-A256 HydrophobicContact CG2-CB 4.33Å; V204-V259 HydrophobicContact CG2-CB 3.79Å; V204-V259 HydrophobicContact CG2-CG1 3.58Å; V204-L260 HydrophobicContact CG1-CD2 3.98Å; V204-L260 HydrophobicContact CG1-CG 4.42Å; V204-L260 HydrophobicContact CG2-CD2 4.14Å; V204-L260 HydrophobicContact CG2-CG 4.11Å
205R90Very high88.6Confident17 Ų1720 Ų206%0.06412%0.115CC..Hα-helixtrans-60.5-37.4179-73.9169.676.6-165.322.3113.1S169 V188 I201 N202 I203 S209S169-R205 PolarHBondContact OG-NH2 3.32Å; V188-R205 HydrophobicContact CG1-CG 4.47Å; V188-R205 HydrophobicContact CG2-CG 3.57Å; I201-R205 HydrophobicContact CG2-CG 4.14Å; I201-R205 WeakPolarHBondContact O-CB 3.23Å; I201-R205 WeakPolarHBondContact O-CG 3.41Å; I201-R205 PolarHBondContact O-N 3.43Å; N202-R205 PolarHBondContact O-N 3.32Å; N202-R205 PolarHBondContact OD1-NH1 3.42Å; I203-R205 PolarHBondContact O-N 3.25Å; R205-S209 WeakPolarHBondContact O-CB 3.49Å
206H89Confident89.1Confident2 Ų217.6 Ų17.61%0.0099%0.09CC..Hα-helixtrans-64.5-50.3177.3-68.9172.7000110.5N202 I203 V204 L208 S209 Q239 S243 C249 K285N202-H206 WeakPolarHBondContact O-CB 3.47Å; N202-H206 PolarHBondContact O-CD2 3.29Å; N202-H206 PolarHBondContact O-N 3.33Å; I203-H206 PolarHBondContact O-N 2.89Å; V204-H206 VanDerWaalsContact C-N 3.3Å; V204-H206 PolarHBondContact O-N 3.33Å; H206-L208 VanDerWaalsContact C-N 3.33Å; H206-L208 PolarHBondContact O-N 2.98Å; H206-S209 PolarHBondContact O-N 3.44Å; H206-Q239 PolarHBondContact CE1-O 3.3Å; H206-S243 WeakPolarHBondContact NE2-CA 3.45Å; H206-S243 WeakPolarHBondContact NE2-CB 3.37Å; H206-S243 PolarHBondContact NE2-O 3.27Å; H206-C249 HydrophobicContact CB-CB 4.41Å; H206-C249 PolarHBondContact ND1-SG 2.96Å; H206-K285 PolarHBondContact O-NZ 2.89Å
207H90.6Very high89.5Confident17 Ų1717.1 Ų17.18%0.0799%0.086CC..Hα-helixtrans-71.6-25.3-177.3-69.3-66.3000113.5I203 V204 S209 S251 T252 A256 L277I203-H207 PolarHBondContact O-CD2 3.33Å; I203-H207 PolarHBondContact O-N 2.93Å; V204-H207 PolarHBondContact O-N 3.34Å; H207-S209 VanDerWaalsContact C-N 3.33Å; H207-S209 PolarHBondContact O-N 3.01Å; H207-S251 PolarHBondContact CE1-O 2.99Å; H207-S251 VanDerWaalsContact CE1-O 3.31Å; H207-S251 PolarHBondContact NE2-O 3.44Å; H207-S251 PolarHBondContact NE2-OG 3.26Å; H207-T252 PolarHBondContact CD2-O 2.94Å; H207-T252 PolarHBondContact NE2-O 3.47Å; H207-T252 VanDerWaalsContact NE2-O 3.09Å; H207-A256 HydrophobicContact CB-CB 4.01Å; H207-L277 HydrophobicContact CB-CD2 3.64Å
208L91.1Very high90Very high0 Ų018.5 Ų18.50%09%0.089CC..THydrogen-bonded Turntrans-89.419.2173.2-58.4-175.5000114.1P175 I176 K184 I187 V204 H206 V273 L277P175-L208 WeakPolarHBondContact CA-O 3.41Å; I176-L208 HydrophobicContact CD1-CD2 4.24Å; K184-L208 HydrophobicContact CD-CB 4.45Å; K184-L208 WeakPolarHBondContact CD-O 3.13Å; K184-L208 WeakPolarHBondContact CE-O 3.32Å; K184-L208 HydrophobicContact CG-CB 4.42Å; K184-L208 PolarHBondContact NZ-O 2.97Å; I187-L208 HydrophobicContact CD1-CD1 3.98Å; I187-L208 HydrophobicContact CG2-CD1 4.28Å; V204-L208 HydrophobicContact CG1-CD1 3.67Å; V204-L208 HydrophobicContact CG1-CG 4.14Å; V204-L208 WeakPolarHBondContact O-CB 3.47Å; V204-L208 WeakPolarHBondContact O-CG 3.37Å; V204-L208 PolarHBondContact O-N 3.31Å; H206-L208 VanDerWaalsContact C-N 3.33Å; H206-L208 PolarHBondContact O-N 2.98Å; L208-V273 HydrophobicContact CD1-CG1 4.39Å; L208-V273 HydrophobicContact CD2-CG1 3.75Å; L208-L277 HydrophobicContact CD2-CD1 4.29Å; L208-L277 HydrophobicContact CD2-CD2 4.07Å; L208-L277 HydrophobicContact CD2-CG 4.24Å
209S92.3Very high90.8Very high0 Ų018 Ų180%09%0.087CC..BIsolated β-bridgetrans-131.6146.9178.7-144.20000113.2L174 K184 R205 H206 H207 K285L174-S209 CarbonylContact O-C 3.54Å; L174-S209 WeakPolarHBondContact O-CA 3.33Å; L174-S209 PolarHBondContact O-OG 3.12Å; K184-S209 PolarHBondContact NZ-OG 3.44Å; R205-S209 WeakPolarHBondContact O-CB 3.49Å; H206-S209 PolarHBondContact O-N 3.44Å; H207-S209 VanDerWaalsContact C-N 3.33Å; H207-S209 PolarHBondContact O-N 3.01Å; S209-K285 WeakPolarHBondContact O-CE 3.21Å; S209-K285 PolarHBondContact O-NZ 2.84Å
210I93.4Very high91.4Very high46 Ų4612.9 Ų12.924%0.2367%0.065CC..SBendtrans-73.2-48.3167.2-66.8176.9000110.9L174 P175 I176 G215 V219L174-I210 HydrophobicContact CB-CB 4.3Å; L174-I210 HydrophobicContact CD2-CB 3.87Å; L174-I210 HydrophobicContact CD2-CD1 4.12Å; L174-I210 HydrophobicContact CD2-CG2 3.92Å; L174-I210 HydrophobicContact CG-CB 4.01Å; L174-I210 HydrophobicContact CG-CD1 4.07Å; L174-I210 HydrophobicContact CG-CG1 4.41Å; L174-I210 PolarHBondContact O-N 3.48Å; P175-I210 WeakPolarHBondContact O-CD1 3.35Å; P175-I210 WeakPolarHBondContact O-CG1 3.38Å; I176-I210 HydrophobicContact CG2-CG1 4.32Å; I210-G215 CarbonylContact O-C 3.52Å; I210-G215 WeakPolarHBondContact O-CA 3.24Å; I210-V219 HydrophobicContact CG2-CG1 3.91Å
211L93.3Very high91.5Very high1 Ų114.7 Ų14.71%0.0058%0.079CC..SBendtrans-86.2-22.3-169.9-67.9176.9000116V133 L172 L174 G215 L216 V219 P245V133-L211 HydrophobicContact CG2-CD1 4.44Å; V133-L211 HydrophobicContact CG2-CD2 3.74Å; V133-L211 HydrophobicContact CG2-CG 4.33Å; L172-L211 HydrophobicContact CB-CD1 4.29Å; L172-L211 HydrophobicContact CD2-CD1 4.46Å; L174-L211 HydrophobicContact CB-CD1 4Å; L174-L211 HydrophobicContact CB-CG 4.03Å; L174-L211 HydrophobicContact CD2-CD1 4.2Å; L174-L211 HydrophobicContact CD2-CG 4.02Å; L211-G215 CarbonylContact O-C 3.59Å; L211-G215 WeakPolarHBondContact O-CA 3.48Å; L211-G215 PolarHBondContact O-N 3.31Å; L211-L216 HydrophobicContact CD2-CD1 4.05Å; L211-L216 PolarHBondContact O-N 3.11Å; L211-L216 VanDerWaalsContact O-N 3.1Å; L211-V219 HydrophobicContact CD2-CG2 3.86Å; L211-P245 VanDerWaalsContact O-CA 3.23Å; L211-P245 WeakPolarHBondContact O-CA 3.44Å; L211-P245 VanDerWaalsContact O-CB 3.25Å; L211-P245 WeakPolarHBondContact O-CB 3.48Å
212K90.7Very high91.8Very high7 Ų718.3 Ų18.33%0.0310%0.098CC..THydrogen-bonded Turntrans-83.5159.3-174.5-61.7176.6165.456.70112.6S169 L172 G215 K285S169-K212 VanDerWaalsContact O-CE 3.28Å; S169-K212 WeakPolarHBondContact O-CE 3.46Å; S169-K212 PolarHBondContact O-NZ 3.49Å; L172-K212 PolarHBondContact O-NZ 2.84Å; K212-G215 PolarHBondContact O-N 3.04Å; K212-K285 VanDerWaalsContact O-CD 3.28Å; K212-K285 WeakPolarHBondContact O-CD 3.35Å; K212-K285 PolarHBondContact O-NZ 2.95Å
213G88.7Confident92.4Very high1 Ų118.1 Ų18.11%0.0110%0.097CC..THydrogen-bonded Turntrans62.245.3174.900000113.8S243 G244 V247 C249 K285G213-S243 PolarHBondContact N-O 2.86Å; G213-G244 CarbonylContact C-O 3.5Å; G213-G244 WeakPolarHBondContact CA-O 3.45Å; G213-G244 PolarHBondContact N-O 3.47Å; G213-V247 CarbonylContact C-O 3.5Å; G213-V247 VanDerWaalsContact C-O 3.23Å; G213-C249 PolarHBondContact O-N 2.93Å; G213-K285 WeakPolarHBondContact O-CB 3.43Å; G213-K285 VanDerWaalsContact O-CD 3.25Å; G213-K285 WeakPolarHBondContact O-CD 3.27Å
214G92.1Very high92.7Very high0 Ų017.8 Ų17.80%09%0.094CC..THydrogen-bonded Turntrans88.22-175.600000114L216 L217 M218 G244 P245 V247G214-L216 VanDerWaalsContact C-N 3.33Å; G214-L216 PolarHBondContact O-N 3.24Å; G214-L217 VanDerWaalsContact O-CB 3.28Å; G214-L217 WeakPolarHBondContact O-CB 3.28Å; G214-L217 PolarHBondContact O-N 3.28Å; G214-L217 VanDerWaalsContact O-N 3.08Å; G214-M218 PolarHBondContact O-N 2.83Å; G214-G244 PolarHBondContact N-O 3.41Å; G214-P245 CarbonylContact C-O 3.39Å; G214-P245 VanDerWaalsContact CA-O 3.24Å; G214-P245 WeakPolarHBondContact CA-O 3.41Å; G214-V247 PolarHBondContact N-O 3.33Å
215G93.2Very high93Very high1 Ų118 Ų181%0.0110%0.095CC..Hα-helixtrans-62.1-33.1-174.900000115.2I210 L211 K212 L217 M218 V219 P245I210-G215 CarbonylContact O-C 3.52Å; I210-G215 WeakPolarHBondContact O-CA 3.24Å; L211-G215 CarbonylContact O-C 3.59Å; L211-G215 WeakPolarHBondContact O-CA 3.48Å; L211-G215 PolarHBondContact O-N 3.31Å; K212-G215 PolarHBondContact O-N 3.04Å; G215-L217 PolarHBondContact O-N 2.93Å; G215-M218 WeakPolarHBondContact O-CB 3.44Å; G215-M218 PolarHBondContact O-N 3.04Å; G215-M218 VanDerWaalsContact O-N 3.13Å; G215-V219 PolarHBondContact O-N 2.65Å; G215-P245 PolarHBondContact N-O 3.03Å
216L94.5Very high93.3Very high1 Ų117.2 Ų17.21%0.0059%0.092CC..Hα-helixtrans-63.5-34.2174.9-175.361.7000111.4V132 V136 V147 L211 G214 M218 V219 A220 P245 T246V132-L216 HydrophobicContact CG1-CD1 4.07Å; V136-L216 HydrophobicContact CG1-CD1 4.44Å; V136-L216 HydrophobicContact CG2-CD1 4.33Å; V147-L216 HydrophobicContact CG1-CD2 3.92Å; V147-L216 HydrophobicContact CG2-CD2 3.9Å; L211-L216 HydrophobicContact CD2-CD1 4.05Å; L211-L216 PolarHBondContact O-N 3.11Å; L211-L216 VanDerWaalsContact O-N 3.1Å; G214-L216 VanDerWaalsContact C-N 3.33Å; G214-L216 PolarHBondContact O-N 3.24Å; L216-M218 VanDerWaalsContact C-N 3.26Å; L216-M218 PolarHBondContact O-N 3.35Å; L216-V219 HydrophobicContact CD1-CG2 4.04Å; L216-V219 WeakPolarHBondContact O-CG2 3.46Å; L216-V219 PolarHBondContact O-N 2.78Å; L216-A220 WeakPolarHBondContact O-CB 3.45Å; L216-A220 PolarHBondContact O-N 3.08Å; L216-A220 VanDerWaalsContact O-N 3.1Å; L216-P245 HydrophobicContact CB-CB 3.99Å; L216-P245 VanDerWaalsContact CB-O 3.3Å; L216-P245 WeakPolarHBondContact CB-O 3.24Å; L216-P245 PolarHBondContact N-O 3.45Å; L216-T246 HydrophobicContact CD2-CG2 3.94Å
217L94.8Very high93.7Very high2 Ų217.1 Ų17.11%0.019%0.091CC..Hα-helixtrans-66.9-29.3176.3-48.9177.6000112.3G214 G215 A220 I225 T246 P248 P287 V293G214-L217 VanDerWaalsContact O-CB 3.28Å; G214-L217 WeakPolarHBondContact O-CB 3.28Å; G214-L217 PolarHBondContact O-N 3.28Å; G214-L217 VanDerWaalsContact O-N 3.08Å; G215-L217 PolarHBondContact O-N 2.93Å; L217-A220 CarbonylContact O-C 3.49Å; L217-I225 HydrophobicContact CD2-CD1 3.59Å; L217-I225 HydrophobicContact CD2-CG2 4.14Å; L217-T246 WeakPolarHBondContact CD1-O 3.35Å; L217-T246 HydrophobicContact CD2-CG2 4.19Å; L217-P248 HydrophobicContact CD1-CG 4.27Å; L217-P287 HydrophobicContact CB-CB 4.11Å; L217-P287 HydrophobicContact CD1-CB 3.98Å; L217-P287 HydrophobicContact CD1-CG 3.99Å; L217-V293 HydrophobicContact CD1-CG1 4.29Å; L217-V293 HydrophobicContact CD1-CG2 4.31Å; L217-V293 HydrophobicContact CD2-CG1 3.78Å; L217-V293 HydrophobicContact CD2-CG2 3.84Å
218M92.5Very high94Very high72 Ų7216.3 Ų16.336%0.3559%0.088SC..Hα-helixtrans-74.5-40.9179.2-66.6-58.9-58.800112.2G214 G215 L216 A220 P283 K285G214-M218 PolarHBondContact O-N 2.83Å; G215-M218 WeakPolarHBondContact O-CB 3.44Å; G215-M218 PolarHBondContact O-N 3.04Å; G215-M218 VanDerWaalsContact O-N 3.13Å; L216-M218 VanDerWaalsContact C-N 3.26Å; L216-M218 PolarHBondContact O-N 3.35Å; M218-A220 VanDerWaalsContact C-N 3.31Å; M218-P283 HydrophobicContact CE-CB 4.44Å; M218-K285 HydrophobicContact CG-CB 4.18Å; M218-K285 HydrophobicContact CG-CG 4.32Å
219V94Very high94.2Very high20 Ų2016.5 Ų16.512%0.1219%0.089CC..Hα-helixtrans-80.1-15178.9-60.20000112.8V133 V136 Q137 I210 L211 G215 L216 P221V133-V219 HydrophobicContact CG2-CG2 4.43Å; V136-V219 HydrophobicContact CG2-CB 4.41Å; V136-V219 HydrophobicContact CG2-CG2 3.8Å; Q137-V219 VanDerWaalsContact CG-O 3.31Å; Q137-V219 WeakPolarHBondContact CG-O 3.38Å; I210-V219 HydrophobicContact CG2-CG1 3.91Å; L211-V219 HydrophobicContact CD2-CG2 3.86Å; G215-V219 PolarHBondContact O-N 2.65Å; L216-V219 HydrophobicContact CD1-CG2 4.04Å; L216-V219 WeakPolarHBondContact O-CG2 3.46Å; L216-V219 PolarHBondContact O-N 2.78Å; V219-P221 WeakPolarHBondContact O-CD 3.44Å
220A94.6Very high94.2Very high2 Ų216.5 Ų16.52%0.0179%0.089CC..  trans-118.961.1176.200000112V136 L145 L216 L217 M218 L222 P223 I225V136-A220 HydrophobicContact CB-CB 3.8Å; V136-A220 HydrophobicContact CG2-CB 3.93Å; L145-A220 HydrophobicContact CD2-CB 4.03Å; L216-A220 WeakPolarHBondContact O-CB 3.45Å; L216-A220 PolarHBondContact O-N 3.08Å; L216-A220 VanDerWaalsContact O-N 3.1Å; L217-A220 CarbonylContact O-C 3.49Å; M218-A220 VanDerWaalsContact C-N 3.31Å; A220-L222 VanDerWaalsContact C-N 3.29Å; A220-L222 PolarHBondContact O-N 3.3Å; A220-P223 HydrophobicContact CB-CG 4.19Å; A220-P223 WeakPolarHBondContact O-CD 3.49Å; A220-I225 HydrophobicContact CB-CD1 4.16Å
221P92.4Very high94.1Very high63 Ų6314.3 Ų14.341%0.4098%0.078SC..  trans-72.9-18.5-168.929.4-35.8000114.5V219 A288V219-P221 WeakPolarHBondContact O-CD 3.44Å; P221-A288 HydrophobicContact CB-CB 4.39Å
222L95.4Very high93.7Very high86 Ų8614.3 Ų14.345%0.458%0.077SC..SBendtrans-92.8-51.3-172.6-61.7179.5000115.2L139 A141 A220 R292L139-L222 WeakPolarHBondContact O-CD1 3.5Å; A141-L222 WeakPolarHBondContact CA-O 3.37Å; A220-L222 VanDerWaalsContact C-N 3.29Å; A220-L222 PolarHBondContact O-N 3.3Å; L222-R292 PolarHBondContact O-NH1 2.97Å
223P97Very high93.2Very high2 Ų214.7 Ų14.71%0.0138%0.08CC..SBendtrans-66.8166.1-169.127.8-37.8000114.3L139 T140 D143 L145 A220 I225L139-P223 HydrophobicContact CB-CB 4.14Å; L139-P223 HydrophobicContact CB-CG 3.95Å; L139-P223 HydrophobicContact CD1-CB 4.29Å; L139-P223 HydrophobicContact CD1-CG 3.98Å; T140-P223 VanDerWaalsContact O-CA 3.24Å; T140-P223 WeakPolarHBondContact O-CA 3.28Å; D143-P223 HydrophobicContact CB-CB 4.29Å; D143-P223 WeakPolarHBondContact O-CB 3.46Å; L145-P223 HydrophobicContact CB-CB 4.28Å; L145-P223 HydrophobicContact CB-CG 4.19Å; A220-P223 HydrophobicContact CB-CG 4.19Å; A220-P223 WeakPolarHBondContact O-CD 3.49Å; P223-I225 HydrophobicContact CG-CG1 4.35Å
224K96.9Very high92.8Very high34 Ų3416.8 Ų16.815%0.1489%0.091CC..EExtended strand (participates in β ladder)trans-75.5118.5164.5-62.5142.2-170.7161.40107.4Y54 A141 E142 D143 I144 L145Y54-K224 HydrophobicContact CD1-CB 3.96Å; Y54-K224 HydrophobicContact CD1-CD 4.19Å; Y54-K224 HydrophobicContact CD1-CG 4.26Å; Y54-K224 HydrophobicContact CE1-CB 4.06Å; A141-K224 WeakPolarHBondContact O-CE 3.31Å; E142-K224 PolarHBondContact O-NZ 3.1Å; E142-K224 IonicContact OE2-NZ 3.27Å; E142-K224 PolarHBondContact OE2-NZ 3.4Å; D143-K224 PolarHBondContact O-N 2.8Å; I144-K224 CarbonylContact C-O 3.55Å; I144-K224 WeakPolarHBondContact CA-O 3.35Å; I144-K224 HydrophobicContact CG1-CB 4.45Å; I144-K224 HydrophobicContact CG1-CD 4.32Å; L145-K224 PolarHBondContact N-O 3.31Å
225I96.9Very high92.3Very high3 Ų320.2 Ų20.22%0.01512%0.115CC..EExtended strand (participates in β ladder)trans-104122.6-175.5-58.3178000109.5L145 V147 L217 A220 P223 T246 R292 V293 S294L145-I225 HydrophobicContact CB-CG1 4.27Å; L145-I225 HydrophobicContact CD2-CD1 4.46Å; L145-I225 HydrophobicContact CD2-CG1 4.29Å; L145-I225 WeakPolarHBondContact O-CA 3.39Å; V147-I225 HydrophobicContact CG2-CG2 3.96Å; L217-I225 HydrophobicContact CD2-CD1 3.59Å; L217-I225 HydrophobicContact CD2-CG2 4.14Å; A220-I225 HydrophobicContact CB-CD1 4.16Å; P223-I225 HydrophobicContact CG-CG1 4.35Å; I225-T246 HydrophobicContact CG2-CG2 4.29Å; I225-R292 PolarHBondContact N-O 2.75Å; I225-V293 HydrophobicContact CB-CG2 4.42Å; I225-V293 CarbonylContact O-C 3.53Å; I225-V293 WeakPolarHBondContact O-CA 3.32Å; I225-S294 PolarHBondContact O-N 3.38Å
226V96.7Very high92Very high1 Ų122.1 Ų22.11%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-121.3113.5174-178.50000108.2V48 Y54 I144 L145 L146 V147 L228 S294V48-V226 HydrophobicContact CB-CG1 4.39Å; V48-V226 HydrophobicContact CG1-CG1 3.82Å; V48-V226 HydrophobicContact CG2-CG1 4.15Å; Y54-V226 HydrophobicContact CD2-CG2 4.33Å; Y54-V226 HydrophobicContact CE1-CG2 3.9Å; Y54-V226 HydrophobicContact CE2-CG2 3.61Å; Y54-V226 WeakPolarHBondContact OH-CG2 3.44Å; I144-V226 HydrophobicContact CG2-CG2 4.5Å; L145-V226 PolarHBondContact O-N 3.14Å; L146-V226 CarbonylContact C-O 3.55Å; L146-V226 WeakPolarHBondContact CA-O 3.36Å; L146-V226 HydrophobicContact CD1-CB 4.31Å; L146-V226 HydrophobicContact CD1-CG1 4.22Å; V147-V226 PolarHBondContact N-O 2.93Å; V226-L228 HydrophobicContact CG1-CD2 4.22Å; V226-S294 CarbonylContact C-O 3.58Å; V226-S294 WeakPolarHBondContact CA-O 3.49Å
227A96.5Very high91.6Very high0 Ų025 Ų250%014%0.14CC..EExtended strand (participates in β ladder)trans-98.7123.6173.200000110.5V147 I229 T246 S294 N295 V296V147-A227 HydrophobicContact CB-CB 4.06Å; V147-A227 CarbonylContact O-C 3.57Å; V147-A227 WeakPolarHBondContact O-CA 3.41Å; A227-I229 HydrophobicContact CB-CD1 4.22Å; A227-I229 HydrophobicContact CB-CG1 4.13Å; A227-T246 HydrophobicContact CB-CG2 4.18Å; A227-S294 PolarHBondContact N-O 3.25Å; A227-N295 VanDerWaalsContact CB-OD1 3.23Å; A227-N295 WeakPolarHBondContact CB-OD1 3.39Å; A227-V296 PolarHBondContact O-N 3.01Å
228L96.9Very high91.3Very high0 Ų026.7 Ų26.70%015%0.149CC..EExtended strand (participates in β ladder)trans-101.2120.3167.3-56.5-174.9000108.1V33 L37 V48 M72 L146 V147 L148 V149 V226 V296 I298V33-L228 HydrophobicContact CG1-CD1 4.04Å; V33-L228 HydrophobicContact CG2-CD1 4.32Å; L37-L228 HydrophobicContact CD1-CD1 4.2Å; L37-L228 HydrophobicContact CD2-CD1 3.98Å; L37-L228 HydrophobicContact CG-CD1 4Å; V48-L228 HydrophobicContact CG1-CD2 3.82Å; M72-L228 WeakPolarHBondContact CE-O 3.41Å; L146-L228 HydrophobicContact CD1-CD1 4.09Å; L146-L228 HydrophobicContact CD1-CG 3.98Å; V147-L228 PolarHBondContact O-N 2.91Å; L148-L228 HydrophobicContact CD2-CB 3.96Å; L148-L228 HydrophobicContact CD2-CD1 4.01Å; L148-L228 HydrophobicContact CD2-CG 4.22Å; V149-L228 PolarHBondContact N-O 3.01Å; V226-L228 HydrophobicContact CG1-CD2 4.22Å; L228-V296 HydrophobicContact CD2-CB 4.03Å; L228-V296 HydrophobicContact CD2-CG2 4.35Å; L228-I298 HydrophobicContact CB-CD1 3.82Å; L228-I298 HydrophobicContact CB-CG1 4.31Å; L228-I298 HydrophobicContact CB-CG2 4.32Å; L228-I298 HydrophobicContact CD2-CG2 4.02Å
229I94.6Very high91Very high4 Ų424.7 Ų24.72%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-120.5127.1-166.5-56.2170.6000109.4V149 A227 L238 V241 N295 V296 L297 I298V149-I229 HydrophobicContact CB-CG1 4.17Å; V149-I229 HydrophobicContact CB-CG2 4.42Å; V149-I229 HydrophobicContact CG2-CG1 4.32Å; V149-I229 CarbonylContact O-C 3.45Å; V149-I229 WeakPolarHBondContact O-CA 3.29Å; A227-I229 HydrophobicContact CB-CD1 4.22Å; A227-I229 HydrophobicContact CB-CG1 4.13Å; I229-L238 HydrophobicContact CD1-CD1 4.11Å; I229-L238 HydrophobicContact CD1-CD2 3.99Å; I229-L238 HydrophobicContact CD1-CG 4.44Å; I229-L238 HydrophobicContact CG2-CD2 4.13Å; I229-V241 HydrophobicContact CG2-CB 4.21Å; I229-V241 HydrophobicContact CG2-CG1 3.61Å; I229-V241 HydrophobicContact CG2-CG2 4.45Å; I229-N295 HydrophobicContact CD1-CB 4.02Å; I229-V296 PolarHBondContact N-O 3.29Å; I229-L297 HydrophobicContact CG2-CD1 4.4Å; I229-L297 CarbonylContact O-C 3.55Å; I229-L297 WeakPolarHBondContact O-CA 3.48Å; I229-I298 WeakPolarHBondContact O-CG1 3.3Å; I229-I298 PolarHBondContact O-N 2.64Å
230I93.6Very high90.5Very high1 Ų125.4 Ų25.41%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-103.3116.4164.2-61.6173.5000107P29 L32 M72 V149 G151 I298 G299 V503P29-I230 HydrophobicContact CB-CD1 3.51Å; P29-I230 HydrophobicContact CG-CD1 3.81Å; L32-I230 HydrophobicContact CD1-CD1 4.01Å; L32-I230 HydrophobicContact CD1-CG1 4.18Å; M72-I230 HydrophobicContact CE-CD1 4.16Å; M72-I230 HydrophobicContact CE-CG1 4.2Å; M72-I230 HydrophobicContact CG-CD1 4.27Å; M72-I230 HydrophobicContact SD-CD1 4.19Å; V149-I230 PolarHBondContact O-N 3.48Å; G151-I230 PolarHBondContact N-O 2.88Å; I230-I298 HydrophobicContact CD1-CD1 4.48Å; I230-I298 HydrophobicContact CG1-CD1 4.08Å; I230-I298 HydrophobicContact CG1-CG1 3.87Å; I230-G299 CarbonylContact C-O 3.16Å; I230-G299 WeakPolarHBondContact CA-O 3.46Å; I230-V503 HydrophobicContact CG2-CG1 3.76Å
231S91Very high90Very high0 Ų025.5 Ų25.50%014%0.14CC..  trans-92.5131.6-176.6178.70000110.7V233 N236 G299S231-V233 PolarHBondContact OG-N 2.67Å; S231-V233 PolarHBondContact OG-O 3.1Å; S231-N236 WeakPolarHBondContact CB-OD1 3.21Å; S231-N236 PolarHBondContact OG-OD1 3Å; S231-G299 PolarHBondContact N-O 3.44Å
232D83.9Confident89.5Confident0 Ų022.8 Ų22.80%012%0.123CC..  trans-114.721161.469.9-19.2000111.5G151 M152 L153 N502 M504G151-D232 WeakPolarHBondContact CA-OD1 3.11Å; M152-D232 WeakPolarHBondContact CA-OD2 3.48Å; M152-D232 PolarHBondContact N-OD1 3.37Å; M152-D232 VanDerWaalsContact N-OD1 3.12Å; M152-D232 PolarHBondContact N-OD2 2.87Å; M152-D232 VanDerWaalsContact N-OD2 3.1Å; L153-D232 WeakPolarHBondContact CB-O 3.47Å; L153-D232 WeakPolarHBondContact CD1-O 2.82Å; L153-D232 VanDerWaalsContact N-CG 3.31Å; L153-D232 PolarHBondContact N-OD1 2.9Å; L153-D232 PolarHBondContact N-OD2 2.91Å; D232-N502 WeakPolarHBondContact CB-O 3.45Å; D232-N502 PolarHBondContact OD2-ND2 3.48Å; D232-M504 HydrophobicContact CB-CG 4.21Å; D232-M504 WeakPolarHBondContact O-CG 3.36Å; D232-M504 VanDerWaalsContact O-SD 3.4Å
233V81.9Confident89.1Confident15 Ų1518.7 Ų18.79%0.09110%0.102CC..  trans-92.2124.5174.1-179.30000109.2L153 S231 S235 N236 F240 V241L153-V233 VanDerWaalsContact CD1-CA 3.46Å; L153-V233 HydrophobicContact CD1-CB 4.06Å; L153-V233 HydrophobicContact CD1-CG1 4.25Å; L153-V233 HydrophobicContact CD1-CG2 3.88Å; S231-V233 PolarHBondContact OG-N 2.67Å; S231-V233 PolarHBondContact OG-O 3.1Å; V233-S235 WeakPolarHBondContact CG1-OG 3.13Å; V233-S235 PolarHBondContact O-N 3.45Å; V233-S235 VanDerWaalsContact O-N 3.12Å; V233-N236 PolarHBondContact O-N 3.2Å; V233-N236 PolarHBondContact O-OD1 2.76Å; V233-F240 HydrophobicContact CG1-CB 4.35Å; V233-F240 HydrophobicContact CG2-CB 4.49Å; V233-V241 HydrophobicContact CB-CG2 4.08Å; V233-V241 HydrophobicContact CG2-CB 4.33Å; V233-V241 HydrophobicContact CG2-CG2 3.67Å
234M80.5Confident88.7Confident46 Ų4618.6 Ų18.623%0.22710%0.102CC..THydrogen-bonded Turntrans-50.1-40.1-180-73.1-174.8-76.200113.5N236 M504M234-N236 VanDerWaalsContact C-N 3.34Å; M234-M504 HydrophobicContact CB-SD 4.2Å; M234-M504 HydrophobicContact CG-CE 4.12Å; M234-M504 HydrophobicContact CG-SD 3.37Å; M234-M504 WeakPolarHBondContact CG-SD 3.46Å
235S81Confident88.4Confident72 Ų7217.3 Ų17.350%0.50310%0.096SC..THydrogen-bonded Turntrans-80.7-11.1179.864.30000114.5V233 D237V233-S235 WeakPolarHBondContact CG1-OG 3.13Å; V233-S235 PolarHBondContact O-N 3.45Å; V233-S235 VanDerWaalsContact O-N 3.12Å; S235-D237 PolarHBondContact O-N 3.12Å; S235-D237 WeakPolarHBondContact OG-CB 3.33Å; S235-D237 PolarHBondContact OG-N 2.69Å
236N85.6Confident88.3Confident40 Ų4017.2 Ų17.221%0.21410%0.096CC..  trans52.217-166-71.8-32.1000115S231 V233 M234 L238 L297 D300S231-N236 WeakPolarHBondContact CB-OD1 3.21Å; S231-N236 PolarHBondContact OG-OD1 3Å; V233-N236 PolarHBondContact O-N 3.2Å; V233-N236 PolarHBondContact O-OD1 2.76Å; M234-N236 VanDerWaalsContact C-N 3.34Å; N236-L238 PolarHBondContact O-N 3.05Å; N236-L297 HydrophobicContact CB-CD2 4.05Å; N236-D300 PolarHBondContact ND2-OD2 2.65Å
237D86.3Confident88.1Confident61 Ų6118.3 Ų18.333%0.32610%0.103SC..  trans-71.3108.7176.5-175.2-13.9000109.4S235 Q239 F240 V241S235-D237 PolarHBondContact O-N 3.12Å; S235-D237 WeakPolarHBondContact OG-CB 3.33Å; S235-D237 PolarHBondContact OG-N 2.69Å; D237-Q239 PolarHBondContact O-N 3.04Å; D237-Q239 VanDerWaalsContact OD1-CG 3.24Å; D237-Q239 WeakPolarHBondContact OD1-CG 3.06Å; D237-Q239 PolarHBondContact OD1-N 3.03Å; D237-Q239 VanDerWaalsContact OD1-N 3.14Å; D237-Q239 PolarHBondContact OD1-NE2 3.05Å; D237-Q239 PolarHBondContact OD2-NE2 3.34Å; D237-F240 HydrophobicContact CB-CD2 3.81Å; D237-F240 HydrophobicContact CB-CE2 4.16Å; D237-F240 PolarHBondContact O-N 3.48Å; D237-F240 WeakPolarHBondContact OD2-CE2 3.3Å; D237-V241 PolarHBondContact O-N 3.29Å
238L88.9Confident87.8Confident39 Ų3920.1 Ų20.120%0.20412%0.115CC..THydrogen-bonded Turntrans-61.7-19.4-172.3-55.1-179000113I229 N236 F240 V241 G244 V247 N295 L297I229-L238 HydrophobicContact CD1-CD1 4.11Å; I229-L238 HydrophobicContact CD1-CD2 3.99Å; I229-L238 HydrophobicContact CD1-CG 4.44Å; I229-L238 HydrophobicContact CG2-CD2 4.13Å; N236-L238 PolarHBondContact O-N 3.05Å; L238-F240 PolarHBondContact O-N 3.44Å; L238-V241 HydrophobicContact CD2-CG2 4.38Å; L238-V241 PolarHBondContact O-N 3.14Å; L238-G244 WeakPolarHBondContact O-CA 3.4Å; L238-V247 HydrophobicContact CB-CG2 3.76Å; L238-N295 HydrophobicContact CD1-CB 3.95Å; L238-L297 HydrophobicContact CD2-CB 4.43Å; L238-L297 HydrophobicContact CD2-CD1 4.27Å
239Q86.7Confident87.2Confident29 Ų2921.5 Ų21.514%0.13612%0.124CC..THydrogen-bonded Turntrans-65.7-24.9174.884.4-177.6-72.700112.2H206 D237 S243 G244 V247H206-Q239 PolarHBondContact CE1-O 3.3Å; D237-Q239 PolarHBondContact O-N 3.04Å; D237-Q239 VanDerWaalsContact OD1-CG 3.24Å; D237-Q239 WeakPolarHBondContact OD1-CG 3.06Å; D237-Q239 PolarHBondContact OD1-N 3.03Å; D237-Q239 VanDerWaalsContact OD1-N 3.14Å; D237-Q239 PolarHBondContact OD1-NE2 3.05Å; D237-Q239 PolarHBondContact OD2-NE2 3.34Å; Q239-S243 CarbonylContact O-C 3.58Å; Q239-G244 WeakPolarHBondContact O-CA 3.36Å; Q239-G244 PolarHBondContact O-N 3.21Å; Q239-V247 HydrophobicContact CB-CG1 3.99Å
240F83.3Confident86.8Confident36 Ų3627 Ų2716%0.15816%0.158CC..THydrogen-bonded Turntrans-98.6-22.5-179.5-57-53.7000112.8F199 N202 V233 D237 L238 A242 S243F199-F240 HydrophobicContact CD1-CE1 4.01Å; F199-F240 AromaticContact CD1-CE2 3.87Å; F199-F240 HydrophobicContact CD1-CE2 3.87Å; F199-F240 AromaticContact CD1-CZ 3.52Å; F199-F240 HydrophobicContact CD1-CZ 3.52Å; F199-F240 HydrophobicContact CE1-CD2 4.18Å; F199-F240 HydrophobicContact CE1-CE1 4.5Å; F199-F240 AromaticContact CE1-CE2 3.57Å; F199-F240 HydrophobicContact CE1-CE2 3.57Å; F199-F240 AromaticContact CE1-CZ 3.76Å; F199-F240 HydrophobicContact CE1-CZ 3.76Å; N202-F240 HydrophobicContact CB-CD1 4.19Å; N202-F240 HydrophobicContact CB-CE1 4.35Å; N202-F240 WeakPolarHBondContact ND2-CD1 3.07Å; V233-F240 HydrophobicContact CG1-CB 4.35Å; V233-F240 HydrophobicContact CG2-CB 4.49Å; D237-F240 HydrophobicContact CB-CD2 3.81Å; D237-F240 HydrophobicContact CB-CE2 4.16Å; D237-F240 PolarHBondContact O-N 3.48Å; D237-F240 WeakPolarHBondContact OD2-CE2 3.3Å; L238-F240 PolarHBondContact O-N 3.44Å; F240-A242 PolarHBondContact O-N 3.46Å; F240-S243 PolarHBondContact O-N 2.93Å; F240-S243 VanDerWaalsContact O-N 3.11Å
241V84.8Confident86.5Confident3 Ų327.9 Ų27.92%0.01816%0.164CC..G310 helixtrans-62.5112.3175.8-174.70000109.2V149 I229 V233 D237 L238 S243 G244V149-V241 HydrophobicContact CG1-CG1 4.21Å; I229-V241 HydrophobicContact CG2-CB 4.21Å; I229-V241 HydrophobicContact CG2-CG1 3.61Å; I229-V241 HydrophobicContact CG2-CG2 4.45Å; V233-V241 HydrophobicContact CB-CG2 4.08Å; V233-V241 HydrophobicContact CG2-CB 4.33Å; V233-V241 HydrophobicContact CG2-CG2 3.67Å; D237-V241 PolarHBondContact O-N 3.29Å; L238-V241 HydrophobicContact CD2-CG2 4.38Å; L238-V241 PolarHBondContact O-N 3.14Å; V241-S243 PolarHBondContact O-N 3.47Å; V241-S243 VanDerWaalsContact O-N 3.13Å; V241-G244 PolarHBondContact O-N 2.99Å
242A82.1Confident86.4Confident6 Ų630.7 Ų30.75%0.0518%0.181CC..G310 helixtrans51.131.9-173.900000114.7F65 V149 F240 G244F65-A242 HydrophobicContact CD2-CB 4.31Å; F65-A242 HydrophobicContact CE2-CB 3.69Å; V149-A242 HydrophobicContact CG1-CB 3.74Å; F240-A242 PolarHBondContact O-N 3.46Å; A242-G244 VanDerWaalsContact C-N 3.28Å; A242-G244 PolarHBondContact O-N 3.48Å
243S85.2Confident86.7Confident0 Ų032.3 Ų32.30%019%0.192CC..G310 helixtrans60.731-173.4-510000114.2S169 H206 G213 Q239 F240 V241S169-S243 WeakPolarHBondContact CB-OG 3.35Å; S169-S243 PolarHBondContact OG-OG 2.53Å; H206-S243 WeakPolarHBondContact NE2-CA 3.45Å; H206-S243 WeakPolarHBondContact NE2-CB 3.37Å; H206-S243 PolarHBondContact NE2-O 3.27Å; G213-S243 PolarHBondContact N-O 2.86Å; Q239-S243 CarbonylContact O-C 3.58Å; F240-S243 PolarHBondContact O-N 2.93Å; F240-S243 VanDerWaalsContact O-N 3.11Å; V241-S243 PolarHBondContact O-N 3.47Å; V241-S243 VanDerWaalsContact O-N 3.13Å
244G89.2Confident87.1Confident1 Ų134.9 Ų34.91%0.0121%0.214CC..  trans5153.3166.700000115.8G213 G214 L238 Q239 V241 A242 T246 V247G213-G244 CarbonylContact C-O 3.5Å; G213-G244 WeakPolarHBondContact CA-O 3.45Å; G213-G244 PolarHBondContact N-O 3.47Å; G214-G244 PolarHBondContact N-O 3.41Å; L238-G244 WeakPolarHBondContact O-CA 3.4Å; Q239-G244 WeakPolarHBondContact O-CA 3.36Å; Q239-G244 PolarHBondContact O-N 3.21Å; V241-G244 PolarHBondContact O-N 2.99Å; A242-G244 VanDerWaalsContact C-N 3.28Å; A242-G244 PolarHBondContact O-N 3.48Å; G244-T246 PolarHBondContact O-N 2.93Å; G244-V247 PolarHBondContact O-N 3.46Å; G244-V247 VanDerWaalsContact O-N 3.07Å
245P92Very high87.7Confident6 Ų636.2 Ų36.24%0.03922%0.223CC..THydrogen-bonded Turntrans-61.8-27.2-177.423.2-31.6000113.7F65 L211 G214 G215 L216F65-P245 HydrophobicContact CE1-CG 4.36Å; F65-P245 HydrophobicContact CE2-CG 3.89Å; F65-P245 HydrophobicContact CZ-CB 4.48Å; F65-P245 HydrophobicContact CZ-CG 3.37Å; L211-P245 VanDerWaalsContact O-CA 3.23Å; L211-P245 WeakPolarHBondContact O-CA 3.44Å; L211-P245 VanDerWaalsContact O-CB 3.25Å; L211-P245 WeakPolarHBondContact O-CB 3.48Å; G214-P245 CarbonylContact C-O 3.39Å; G214-P245 VanDerWaalsContact CA-O 3.24Å; G214-P245 WeakPolarHBondContact CA-O 3.41Å; G215-P245 PolarHBondContact N-O 3.03Å; L216-P245 HydrophobicContact CB-CB 3.99Å; L216-P245 VanDerWaalsContact CB-O 3.3Å; L216-P245 WeakPolarHBondContact CB-O 3.24Å; L216-P245 PolarHBondContact N-O 3.45Å
246T94.2Very high88.2Confident2 Ų232.8 Ų32.81%0.01220%0.199CC..THydrogen-bonded Turntrans-105.512176.755.90000113.4V147 L216 L217 I225 A227 G244 N295V147-T246 HydrophobicContact CB-CG2 4.17Å; V147-T246 HydrophobicContact CG1-CG2 3.98Å; V147-T246 HydrophobicContact CG2-CG2 4.01Å; L216-T246 HydrophobicContact CD2-CG2 3.94Å; L217-T246 WeakPolarHBondContact CD1-O 3.35Å; L217-T246 HydrophobicContact CD2-CG2 4.19Å; I225-T246 HydrophobicContact CG2-CG2 4.29Å; A227-T246 HydrophobicContact CB-CG2 4.18Å; G244-T246 PolarHBondContact O-N 2.93Å; T246-N295 VanDerWaalsContact CB-OD1 3.23Å; T246-N295 WeakPolarHBondContact CB-OD1 3.31Å; T246-N295 PolarHBondContact O-ND2 3.37Å; T246-N295 PolarHBondContact O-OD1 3.43Å; T246-N295 PolarHBondContact OG1-OD1 3.07Å
247V92.1Very high88.6Confident24 Ų2432.3 Ų32.315%0.14520%0.197CC..SBendtrans-129.5113.4-178.3-178.10000108.7G213 G214 L238 Q239 G244 C249G213-V247 CarbonylContact C-O 3.5Å; G213-V247 VanDerWaalsContact C-O 3.23Å; G214-V247 PolarHBondContact N-O 3.33Å; L238-V247 HydrophobicContact CB-CG2 3.76Å; Q239-V247 HydrophobicContact CB-CG1 3.99Å; G244-V247 PolarHBondContact O-N 3.46Å; G244-V247 VanDerWaalsContact O-N 3.07Å; V247-C249 PolarHBondContact O-N 3.33Å
248P89.9Confident88.9Confident38 Ų3830.7 Ų30.725%0.24719%0.194CC..  trans-54133.1178.7-28.837.5000112.4L217 K285 L286L217-P248 HydrophobicContact CD1-CG 4.27Å; P248-K285 WeakPolarHBondContact CB-O 2.93Å; P248-L286 HydrophobicContact CB-CD2 3.84Å; P248-L286 HydrophobicContact CG-CD2 4.17Å
249C85Confident89.2Confident29 Ų2929 Ų2920%0.19619%0.186CC..  trans-74.1141.3172.8-174.10000110.7H206 G213 V247 S251H206-C249 HydrophobicContact CB-CB 4.41Å; H206-C249 PolarHBondContact ND1-SG 2.96Å; G213-C249 PolarHBondContact O-N 2.93Å; V247-C249 PolarHBondContact O-N 3.33Å; C249-S251 PolarHBondContact SG-N 2.86Å; C249-S251 VanDerWaalsContact SG-N 3.42Å; C249-S251 PolarHBondContact SG-OG 2.91Å
250T85.8Confident89.6Confident120 Ų12027.6 Ų27.674%0.73618%0.179SC*.  trans-84.1-16.4177.153.40000113.7
251S88Confident90.2Very high18 Ų1832 Ų3213%0.12620%0.201CC..  trans-82.6160.8179.674.70000112.9H207 C249H207-S251 PolarHBondContact CE1-O 2.99Å; H207-S251 VanDerWaalsContact CE1-O 3.31Å; H207-S251 PolarHBondContact NE2-O 3.44Å; H207-S251 PolarHBondContact NE2-OG 3.26Å; C249-S251 PolarHBondContact SG-N 2.86Å; C249-S251 VanDerWaalsContact SG-N 3.42Å; C249-S251 PolarHBondContact SG-OG 2.91Å
252T88.3Confident90.7Very high60 Ų6039 Ų3937%0.36823%0.227SC..  trans-108.5162-178.568.50000111.6H207 A254 D255 A256H207-T252 PolarHBondContact CD2-O 2.94Å; H207-T252 PolarHBondContact NE2-O 3.47Å; H207-T252 VanDerWaalsContact NE2-O 3.09Å; T252-A254 PolarHBondContact O-N 2.99Å; T252-A254 PolarHBondContact OG1-N 3.44Å; T252-D255 WeakPolarHBondContact CB-OD2 3.27Å; T252-D255 PolarHBondContact N-OD2 3.45Å; T252-D255 WeakPolarHBondContact O-CB 3.49Å; T252-D255 PolarHBondContact O-N 3.3Å; T252-D255 VanDerWaalsContact OG1-CG 3.23Å; T252-D255 PolarHBondContact OG1-N 3.41Å; T252-D255 PolarHBondContact OG1-OD2 3.02Å; T252-A256 PolarHBondContact O-N 2.94Å
253P90.2Very high91.3Very high34 Ų3441.2 Ų41.222%0.22123%0.234CC..Hα-helixtrans-56.5-33.8171.8-26.636.5000112.7D255 A256 V257 L277 L282P253-D255 VanDerWaalsContact C-N 3.34Å; P253-D255 PolarHBondContact O-N 3.48Å; P253-A256 WeakPolarHBondContact O-CB 3.45Å; P253-A256 PolarHBondContact O-N 3.15Å; P253-A256 VanDerWaalsContact O-N 3.15Å; P253-V257 WeakPolarHBondContact O-CG2 3.26Å; P253-V257 PolarHBondContact O-N 2.96Å; P253-L277 VanDerWaalsContact CB-O 3.23Å; P253-L277 WeakPolarHBondContact CB-O 3.46Å; P253-L282 HydrophobicContact CB-CD2 4.46Å; P253-L282 HydrophobicContact CG-CD2 3.92Å
254A90.6Very high91.7Very high68 Ų6842 Ų4256%0.56224%0.237SC*.Hα-helixtrans-63.2-37174.600000112.6T252 A256 V257 G258T252-A254 PolarHBondContact O-N 2.99Å; T252-A254 PolarHBondContact OG1-N 3.44Å; A254-A256 VanDerWaalsContact C-N 3.32Å; A254-A256 PolarHBondContact O-N 3.46Å; A254-V257 PolarHBondContact O-N 3.03Å; A254-G258 PolarHBondContact O-N 2.89Å
255D92.3Very high91.8Very high75 Ų7546.8 Ų46.840%0.40126%0.263SS..Hα-helixtrans-64.9-38173.6-58.6-53.2000111.2I203 T252 P253 G258 V259I203-D255 HydrophobicContact CG2-CB 4.02Å; T252-D255 WeakPolarHBondContact CB-OD2 3.27Å; T252-D255 PolarHBondContact N-OD2 3.45Å; T252-D255 WeakPolarHBondContact O-CB 3.49Å; T252-D255 PolarHBondContact O-N 3.3Å; T252-D255 VanDerWaalsContact OG1-CG 3.23Å; T252-D255 PolarHBondContact OG1-N 3.41Å; T252-D255 PolarHBondContact OG1-OD2 3.02Å; P253-D255 VanDerWaalsContact C-N 3.34Å; P253-D255 PolarHBondContact O-N 3.48Å; D255-G258 PolarHBondContact O-N 3.29Å; D255-V259 WeakPolarHBondContact O-CG2 3.37Å; D255-V259 PolarHBondContact O-N 2.97Å
256A92.3Very high91.5Very high0 Ų053.3 Ų53.30%029%0.293CS..Hα-helixtrans-65.1-41.6174.400000112.1I203 V204 H207 T252 P253 A254 V259 L260 L277I203-A256 HydrophobicContact CG2-CB 4.04Å; V204-A256 HydrophobicContact CG2-CB 4.33Å; H207-A256 HydrophobicContact CB-CB 4.01Å; T252-A256 PolarHBondContact O-N 2.94Å; P253-A256 WeakPolarHBondContact O-CB 3.45Å; P253-A256 PolarHBondContact O-N 3.15Å; P253-A256 VanDerWaalsContact O-N 3.15Å; A254-A256 VanDerWaalsContact C-N 3.32Å; A254-A256 PolarHBondContact O-N 3.46Å; A256-V259 PolarHBondContact O-N 3.41Å; A256-L260 WeakPolarHBondContact O-CG 3.35Å; A256-L260 PolarHBondContact O-N 2.75Å; A256-L277 HydrophobicContact CB-CD1 4.3Å; A256-L277 HydrophobicContact CB-CD2 4.17Å
257V93.3Very high91.2Very high29 Ų2961.6 Ų61.618%0.17633%0.328CS..Hα-helixtrans-58.8-49.5172.41730000110.3P253 A254 V259 L260 E261 W274 L277P253-V257 WeakPolarHBondContact O-CG2 3.26Å; P253-V257 PolarHBondContact O-N 2.96Å; A254-V257 PolarHBondContact O-N 3.03Å; V257-V259 VanDerWaalsContact C-N 3.27Å; V257-V259 PolarHBondContact O-N 3.43Å; V257-L260 PolarHBondContact O-N 3.37Å; V257-E261 HydrophobicContact CG1-CG 4.18Å; V257-E261 WeakPolarHBondContact O-CG 3.24Å; V257-E261 PolarHBondContact O-N 2.97Å; V257-W274 HydrophobicContact CG1-CZ3 4.17Å; V257-L277 HydrophobicContact CG2-CB 3.68Å; V257-L277 HydrophobicContact CG2-CD1 4.32Å
258G94Very high91Very high27 Ų2763.3 Ų63.328%0.27834%0.337SS..Hα-helixtrans-64-27.517900000114.1A254 D255 R262A254-G258 PolarHBondContact O-N 2.89Å; D255-G258 PolarHBondContact O-N 3.29Å; G258-R262 VanDerWaalsContact O-CG 3.3Å; G258-R262 WeakPolarHBondContact O-CG 3.4Å; G258-R262 PolarHBondContact O-NE 3.36Å; G258-R262 VanDerWaalsContact O-NE 3.09Å
259V94.3Very high91.1Very high3 Ų361.7 Ų61.72%0.01833%0.326CS..Hα-helixtrans-68.9-51167.41720000110.2L191 E200 I203 V204 D255 A256 V257 E261 R262 Y263L191-V259 HydrophobicContact CD1-CG1 4.43Å; L191-V259 HydrophobicContact CD2-CG1 4.08Å; E200-V259 HydrophobicContact CB-CG1 3.87Å; E200-V259 HydrophobicContact CB-CG2 4.03Å; E200-V259 HydrophobicContact CG-CG2 4.17Å; I203-V259 HydrophobicContact CB-CG2 4.48Å; I203-V259 HydrophobicContact CD1-CG2 4.41Å; I203-V259 HydrophobicContact CG2-CG2 4.31Å; V204-V259 HydrophobicContact CG2-CB 3.79Å; V204-V259 HydrophobicContact CG2-CG1 3.58Å; D255-V259 WeakPolarHBondContact O-CG2 3.37Å; D255-V259 PolarHBondContact O-N 2.97Å; A256-V259 PolarHBondContact O-N 3.41Å; V257-V259 VanDerWaalsContact C-N 3.27Å; V257-V259 PolarHBondContact O-N 3.43Å; V259-E261 PolarHBondContact O-N 3.31Å; V259-R262 PolarHBondContact O-N 2.92Å; V259-Y263 HydrophobicContact CG1-CD2 4.25Å; V259-Y263 HydrophobicContact CG1-CE2 4.46Å; V259-Y263 VanDerWaalsContact O-CD2 3.31Å; V259-Y263 WeakPolarHBondContact O-CD2 3.4Å
260L95Very high91.3Very high0 Ų062 Ų620%033%0.328CS..Hα-helixtrans-60.3-43.9-177-68.8173.7000112.1I187 L191 V204 A256 V257 R262 Y263 F264 V269 V273 W274 L277I187-L260 HydrophobicContact CG2-CD2 3.63Å; L191-L260 HydrophobicContact CD2-CD2 4.4Å; V204-L260 HydrophobicContact CG1-CD2 3.98Å; V204-L260 HydrophobicContact CG1-CG 4.42Å; V204-L260 HydrophobicContact CG2-CD2 4.14Å; V204-L260 HydrophobicContact CG2-CG 4.11Å; A256-L260 WeakPolarHBondContact O-CG 3.35Å; A256-L260 PolarHBondContact O-N 2.75Å; V257-L260 PolarHBondContact O-N 3.37Å; L260-R262 PolarHBondContact O-N 3.15Å; L260-Y263 PolarHBondContact O-N 2.9Å; L260-Y263 VanDerWaalsContact O-N 3.16Å; L260-F264 HydrophobicContact CD2-CD2 3.8Å; L260-F264 HydrophobicContact CD2-CE2 3.94Å; L260-F264 WeakPolarHBondContact O-CB 3.35Å; L260-F264 PolarHBondContact O-N 2.97Å; L260-V269 HydrophobicContact CD2-CG2 4.39Å; L260-V273 HydrophobicContact CD1-CG1 4.41Å; L260-W274 HydrophobicContact CB-CH2 3.39Å; L260-W274 HydrophobicContact CB-CZ2 4.31Å; L260-W274 HydrophobicContact CB-CZ3 3.65Å; L260-W274 HydrophobicContact CD1-CE3 4.47Å; L260-W274 HydrophobicContact CD1-CH2 4.31Å; L260-W274 HydrophobicContact CD1-CZ3 4.08Å; L260-W274 HydrophobicContact CG-CH2 4.48Å; L260-L277 HydrophobicContact CD1-CD1 3.45Å; L260-L277 VanDerWaalsContact CD1-CD1 3.45Å
261E95Very high91.5Very high130 Ų13064.1 Ų64.161%0.60733%0.327SS*.Hα-helixtrans-62-28.1178.5-71.5178.4152.200113.4V257 V259 W274V257-E261 HydrophobicContact CG1-CG 4.18Å; V257-E261 WeakPolarHBondContact O-CG 3.24Å; V257-E261 PolarHBondContact O-N 2.97Å; V259-E261 PolarHBondContact O-N 3.31Å; E261-W274 HydrophobicContact CG-CH2 4.11Å; E261-W274 HydrophobicContact CG-CZ3 4.08Å
262R95.7Very high91.5Very high150 Ų15066.2 Ų66.257%0.56634%0.337SS*.Hα-helixtrans-73.9-26.7177.3-76.8-175.3-66.1150.34.9113.5E200 G258 V259 L260E200-R262 IonicContact OE1-CZ 3.72Å; E200-R262 IonicContact OE1-NH1 3.37Å; E200-R262 PolarHBondContact OE1-NH1 2.69Å; E200-R262 IonicContact OE1-NH2 3.68Å; E200-R262 PolarHBondContact OE1-NH2 3.32Å; G258-R262 VanDerWaalsContact O-CG 3.3Å; G258-R262 WeakPolarHBondContact O-CG 3.4Å; G258-R262 PolarHBondContact O-NE 3.36Å; G258-R262 VanDerWaalsContact O-NE 3.09Å; V259-R262 PolarHBondContact O-N 2.92Å; L260-R262 PolarHBondContact O-N 3.15Å
263Y94.9Very high91.7Very high51 Ų5163.3 Ų63.320%0.232%0.319CS..Hα-helixtrans-115-21.7-173.7-66.9-78.1000113.8L191 R194 A196 E200 V259 L260L191-Y263 HydrophobicContact CD2-CD2 3.86Å; L191-Y263 HydrophobicContact CD2-CG 4Å; R194-Y263 HydrophobicContact CB-CD1 3.77Å; R194-Y263 WeakPolarHBondContact CD-O 3.07Å; R194-Y263 PolarHBondContact NE-O 2.8Å; R194-Y263 VanDerWaalsContact NE-O 3.16Å; R194-Y263 WeakPolarHBondContact O-CD1 3.36Å; R194-Y263 WeakPolarHBondContact O-CE1 3.26Å; A196-Y263 VanDerWaalsContact CA-CZ 3.43Å; A196-Y263 WeakPolarHBondContact CA-OH 3.48Å; A196-Y263 HydrophobicContact CB-CD1 4.32Å; A196-Y263 HydrophobicContact CB-CD2 4.02Å; A196-Y263 HydrophobicContact CB-CE1 3.98Å; A196-Y263 HydrophobicContact CB-CE2 3.69Å; A196-Y263 HydrophobicContact CB-CG 4.36Å; E200-Y263 PolarHBondContact OE2-OH 3.22Å; V259-Y263 HydrophobicContact CG1-CD2 4.25Å; V259-Y263 HydrophobicContact CG1-CE2 4.46Å; V259-Y263 VanDerWaalsContact O-CD2 3.31Å; V259-Y263 WeakPolarHBondContact O-CD2 3.4Å; L260-Y263 PolarHBondContact O-N 2.9Å; L260-Y263 VanDerWaalsContact O-N 3.16Å
264F94.1Very high91.6Very high16 Ų1663.6 Ų63.67%0.0732%0.316CS..  trans-124.8148.1-174.8-68.9-67.5000112.4I187 G190 L191 R194 L260 D268 V269I187-F264 HydrophobicContact CG2-CE2 4.1Å; I187-F264 WeakPolarHBondContact O-CZ 3.46Å; G190-F264 VanDerWaalsContact C-CZ 3.49Å; L191-F264 HydrophobicContact CD2-CD2 4Å; L191-F264 HydrophobicContact CD2-CE2 3.51Å; L191-F264 HydrophobicContact CD2-CZ 4.39Å; L191-F264 HydrophobicContact CG-CE2 3.65Å; L191-F264 HydrophobicContact CG-CZ 4.26Å; R194-F264 VanDerWaalsContact NH1-CE1 3.34Å; L260-F264 HydrophobicContact CD2-CD2 3.8Å; L260-F264 HydrophobicContact CD2-CE2 3.94Å; L260-F264 WeakPolarHBondContact O-CB 3.35Å; L260-F264 PolarHBondContact O-N 2.97Å; F264-D268 HydrophobicContact CB-CB 4.07Å; F264-D268 HydrophobicContact CD1-CB 3.56Å; F264-D268 HydrophobicContact CE1-CB 4.38Å; F264-D268 HydrophobicContact CG-CB 4.2Å; F264-V269 HydrophobicContact CB-CG2 3.86Å; F264-V269 HydrophobicContact CD1-CG2 4.39Å; F264-V269 HydrophobicContact CD2-CG2 3.74Å; F264-V269 HydrophobicContact CE2-CG2 4.27Å; F264-V269 HydrophobicContact CG-CG2 3.77Å
265N90.5Very high91.5Very high103 Ų10364.4 Ų64.455%0.55132%0.317SS*.  trans-81.6159.7161.3-52.7-77.9000109.1K267 D268N265-K267 HydrophobicContact CB-CG 4.16Å; N265-K267 PolarHBondContact O-N 3.32Å; N265-D268 WeakPolarHBondContact CB-OD2 3.38Å; N265-D268 PolarHBondContact N-OD2 2.69Å; N265-D268 PolarHBondContact ND2-OD2 3.29Å; N265-D268 WeakPolarHBondContact O-CB 3.12Å; N265-D268 PolarHBondContact O-N 3.12Å
266E85.6Confident91.3Very high142 Ų14262.8 Ų62.866%0.66431%0.309SS*.G310 helixtrans-51.4-36.9-179.5-166.7-174.1164.900113.1D268 V269 W274E266-D268 VanDerWaalsContact C-N 3.31Å; E266-D268 PolarHBondContact O-N 3.32Å; E266-V269 VanDerWaalsContact O-O 3.09Å; E266-W274 PolarHBondContact O-NE1 3.33Å
267K88.6Confident91.1Very high176 Ų17663 Ų6377%0.76531%0.31SS*.G310 helixtrans-70.1-19.8179.367.5178.6-178.7-178.90115.2N265 V269N265-K267 HydrophobicContact CB-CG 4.16Å; N265-K267 PolarHBondContact O-N 3.32Å; K267-V269 VanDerWaalsContact C-N 3.34Å
268D88.8Confident90.7Very high60 Ų6065.1 Ų65.132%0.32133%0.33SS..G310 helixtrans-83.4-16.5-173.9-60-40.4000111.8F264 N265 E266F264-D268 HydrophobicContact CB-CB 4.07Å; F264-D268 HydrophobicContact CD1-CB 3.56Å; F264-D268 HydrophobicContact CE1-CB 4.38Å; F264-D268 HydrophobicContact CG-CB 4.2Å; N265-D268 WeakPolarHBondContact CB-OD2 3.38Å; N265-D268 PolarHBondContact N-OD2 2.69Å; N265-D268 PolarHBondContact ND2-OD2 3.29Å; N265-D268 WeakPolarHBondContact O-CB 3.12Å; N265-D268 PolarHBondContact O-N 3.12Å; E266-D268 VanDerWaalsContact C-N 3.31Å; E266-D268 PolarHBondContact O-N 3.32Å
269V90.6Very high90.2Very high4 Ų466.8 Ų66.82%0.02433%0.332CS..SBendtrans-119.1132-178.3173.60000109I187 L260 F264 E266 K267 K271 V273 W274I187-V269 HydrophobicContact CD1-CG1 4.05Å; I187-V269 HydrophobicContact CG1-CG2 4.45Å; L260-V269 HydrophobicContact CD2-CG2 4.39Å; F264-V269 HydrophobicContact CB-CG2 3.86Å; F264-V269 HydrophobicContact CD1-CG2 4.39Å; F264-V269 HydrophobicContact CD2-CG2 3.74Å; F264-V269 HydrophobicContact CE2-CG2 4.27Å; F264-V269 HydrophobicContact CG-CG2 3.77Å; E266-V269 VanDerWaalsContact O-O 3.09Å; K267-V269 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.43Å; V269-V273 HydrophobicContact CG1-CB 3.74Å; V269-V273 HydrophobicContact CG1-CG1 3.74Å; V269-V273 HydrophobicContact CG1-CG2 4.42Å; V269-W274 HydrophobicContact CB-CZ2 3.81Å; V269-W274 HydrophobicContact CG1-CD2 4.36Å; V269-W274 HydrophobicContact CG1-CZ2 4.2Å; V269-W274 HydrophobicContact CG2-CZ2 3.99Å; V269-W274 PolarHBondContact O-NE1 3.28Å
270P90.3Very high89.3Confident37 Ų3772.6 Ų72.624%0.2437%0.371CS..  trans-54.1135.9178.7-29.237.7000113.2D183 N272 V273D183-P270 HydrophobicContact CB-CG 4.15Å; P270-N272 VanDerWaalsContact C-N 3.27Å; P270-N272 VanDerWaalsContact C-OD1 3.29Å; P270-N272 WeakPolarHBondContact CB-OD1 3.4Å; P270-N272 PolarHBondContact O-N 3.48Å; P270-N272 PolarHBondContact O-OD1 2.87Å; P270-V273 HydrophobicContact CB-CG2 4.19Å; P270-V273 VanDerWaalsContact O-CB 3.31Å; P270-V273 WeakPolarHBondContact O-CB 3.38Å; P270-V273 PolarHBondContact O-N 3.45Å
271K89Confident88.3Confident164 Ų16477.8 Ų77.871%0.71340%0.402SS*.Hα-helixtrans-54.4-39.5-174.6-71.1-172.3174.9-173.10114.1V269 V273 W274 S275V269-K271 PolarHBondContact O-N 3.43Å; K271-V273 VanDerWaalsContact C-N 3.26Å; K271-V273 PolarHBondContact O-N 3.27Å; K271-W274 PolarHBondContact O-N 2.9Å; K271-S275 PolarHBondContact O-N 3.33Å; K271-S275 PolarHBondContact O-OG 3.01Å
272N88.9Confident87.3Confident61 Ų6173.8 Ų73.833%0.32639%0.385SS..Hα-helixtrans-57.5-34.317453.7-31.6000113.1G178 P270 S275 L276G178-N272 PolarHBondContact O-ND2 2.93Å; P270-N272 VanDerWaalsContact C-N 3.27Å; P270-N272 VanDerWaalsContact C-OD1 3.29Å; P270-N272 WeakPolarHBondContact CB-OD1 3.4Å; P270-N272 PolarHBondContact O-N 3.48Å; P270-N272 PolarHBondContact O-OD1 2.87Å; N272-S275 PolarHBondContact O-N 3.47Å; N272-L276 WeakPolarHBondContact O-CB 3.33Å; N272-L276 WeakPolarHBondContact O-CD1 3.34Å; N272-L276 WeakPolarHBondContact O-CG 3.34Å; N272-L276 PolarHBondContact O-N 3.05Å
273V91Very high85.9Confident0 Ų070.7 Ų70.70%038%0.384CS..Hα-helixtrans-65.4-45.3176.9173.50000110.6V179 I187 L208 L260 V269 P270 K271 L276 L277V179-V273 HydrophobicContact CG1-CG2 4.15Å; V179-V273 HydrophobicContact CG2-CG2 3.77Å; I187-V273 HydrophobicContact CD1-CB 4.48Å; I187-V273 HydrophobicContact CD1-CG1 4.1Å; I187-V273 HydrophobicContact CD1-CG2 3.92Å; L208-V273 HydrophobicContact CD1-CG1 4.39Å; L208-V273 HydrophobicContact CD2-CG1 3.75Å; L260-V273 HydrophobicContact CD1-CG1 4.41Å; V269-V273 HydrophobicContact CG1-CB 3.74Å; V269-V273 HydrophobicContact CG1-CG1 3.74Å; V269-V273 HydrophobicContact CG1-CG2 4.42Å; P270-V273 HydrophobicContact CB-CG2 4.19Å; P270-V273 VanDerWaalsContact O-CB 3.31Å; P270-V273 WeakPolarHBondContact O-CB 3.38Å; P270-V273 PolarHBondContact O-N 3.45Å; K271-V273 VanDerWaalsContact C-N 3.26Å; K271-V273 PolarHBondContact O-N 3.27Å; V273-L276 PolarHBondContact O-N 3.24Å; V273-L277 HydrophobicContact CG1-CD1 4.02Å; V273-L277 HydrophobicContact CG1-CG 4.48Å; V273-L277 WeakPolarHBondContact O-CG 3.41Å; V273-L277 PolarHBondContact O-N 2.88Å
274W89.7Confident85Confident40 Ų4076.5 Ų76.515%0.15241%0.41CS..Hα-helixtrans-60.4-48.1175-63.1116000111.6V257 L260 E261 E266 V269 K271 L276 L277 A278V257-W274 HydrophobicContact CG1-CZ3 4.17Å; L260-W274 HydrophobicContact CB-CH2 3.39Å; L260-W274 HydrophobicContact CB-CZ2 4.31Å; L260-W274 HydrophobicContact CB-CZ3 3.65Å; L260-W274 HydrophobicContact CD1-CE3 4.47Å; L260-W274 HydrophobicContact CD1-CH2 4.31Å; L260-W274 HydrophobicContact CD1-CZ3 4.08Å; L260-W274 HydrophobicContact CG-CH2 4.48Å; E261-W274 HydrophobicContact CG-CH2 4.11Å; E261-W274 HydrophobicContact CG-CZ3 4.08Å; E266-W274 PolarHBondContact O-NE1 3.33Å; V269-W274 HydrophobicContact CB-CZ2 3.81Å; V269-W274 HydrophobicContact CG1-CD2 4.36Å; V269-W274 HydrophobicContact CG1-CZ2 4.2Å; V269-W274 HydrophobicContact CG2-CZ2 3.99Å; V269-W274 PolarHBondContact O-NE1 3.28Å; K271-W274 PolarHBondContact O-N 2.9Å; W274-L276 VanDerWaalsContact C-N 3.3Å; W274-L276 PolarHBondContact O-N 3.44Å; W274-L277 PolarHBondContact O-N 3.18Å; W274-A278 WeakPolarHBondContact O-CB 3.46Å; W274-A278 PolarHBondContact O-N 3.25Å
275S87.4Confident84.4Confident84 Ų8477.6 Ų77.659%0.58742%0.415SS*.Hα-helixtrans-58.3-40.9177.2-590000112.6K271 N272 A278 D279K271-S275 PolarHBondContact O-N 3.33Å; K271-S275 PolarHBondContact O-OG 3.01Å; N272-S275 PolarHBondContact O-N 3.47Å; S275-A278 PolarHBondContact O-N 2.87Å; S275-D279 PolarHBondContact O-N 2.81Å
276L88.4Confident84Confident42 Ų4277.4 Ų77.422%0.2241%0.413CS..Hα-helixtrans-70.6-40.4-179.5-74.8166.1000112.7I176 N177 V179 N272 V273 W274 A278 D279I176-L276 HydrophobicContact CD1-CB 4Å; I176-L276 HydrophobicContact CD1-CD1 3.88Å; I176-L276 HydrophobicContact CD1-CG 4.42Å; I176-L276 HydrophobicContact CG1-CD1 4.32Å; N177-L276 WeakPolarHBondContact O-CD1 3.5Å; V179-L276 HydrophobicContact CG2-CD1 3.57Å; N272-L276 WeakPolarHBondContact O-CB 3.33Å; N272-L276 WeakPolarHBondContact O-CD1 3.34Å; N272-L276 WeakPolarHBondContact O-CG 3.34Å; N272-L276 PolarHBondContact O-N 3.05Å; V273-L276 PolarHBondContact O-N 3.24Å; W274-L276 VanDerWaalsContact C-N 3.3Å; W274-L276 PolarHBondContact O-N 3.44Å; L276-A278 VanDerWaalsContact C-N 3.29Å; L276-D279 WeakPolarHBondContact O-CB 3.33Å; L276-D279 PolarHBondContact O-N 3.35Å
277L87.8Confident83.8Confident5 Ų571.6 Ų71.63%0.02639%0.388CS..Hα-helixtrans-72-25.9177.1-68.3175.5000112.5H207 L208 P253 A256 V257 L260 V273 W274 D279H207-L277 HydrophobicContact CB-CD2 3.64Å; L208-L277 HydrophobicContact CD2-CD1 4.29Å; L208-L277 HydrophobicContact CD2-CD2 4.07Å; L208-L277 HydrophobicContact CD2-CG 4.24Å; P253-L277 VanDerWaalsContact CB-O 3.23Å; P253-L277 WeakPolarHBondContact CB-O 3.46Å; A256-L277 HydrophobicContact CB-CD1 4.3Å; A256-L277 HydrophobicContact CB-CD2 4.17Å; V257-L277 HydrophobicContact CG2-CB 3.68Å; V257-L277 HydrophobicContact CG2-CD1 4.32Å; L260-L277 HydrophobicContact CD1-CD1 3.45Å; L260-L277 VanDerWaalsContact CD1-CD1 3.45Å; V273-L277 HydrophobicContact CG1-CD1 4.02Å; V273-L277 HydrophobicContact CG1-CG 4.48Å; V273-L277 WeakPolarHBondContact O-CG 3.41Å; V273-L277 PolarHBondContact O-N 2.88Å; W274-L277 PolarHBondContact O-N 3.18Å; L277-D279 VanDerWaalsContact C-N 3.31Å
278A85.9Confident83.5Confident73 Ų7367.3 Ų67.360%0.60339%0.385SS*.THydrogen-bonded Turntrans-79.5-10.9174.400000113.5W274 S275 L276 P280W274-A278 WeakPolarHBondContact O-CB 3.46Å; W274-A278 PolarHBondContact O-N 3.25Å; S275-A278 PolarHBondContact O-N 2.87Å; L276-A278 VanDerWaalsContact C-N 3.29Å; A278-P280 VanDerWaalsContact O-CD 3.26Å; A278-P280 WeakPolarHBondContact O-CD 3.32Å
279D83.1Confident83.4Confident61 Ų6167.2 Ų67.233%0.32639%0.385SS..  trans-71.3112.6-178.2-171.1-16.4000111S275 L276 L277 T281 L282S275-D279 PolarHBondContact O-N 2.81Å; L276-D279 WeakPolarHBondContact O-CB 3.33Å; L276-D279 PolarHBondContact O-N 3.35Å; L277-D279 VanDerWaalsContact C-N 3.31Å; D279-T281 PolarHBondContact O-N 2.9Å; D279-T281 VanDerWaalsContact O-N 3.16Å; D279-T281 WeakPolarHBondContact OD1-CA 3.48Å; D279-T281 VanDerWaalsContact OD1-CB 3.27Å; D279-T281 WeakPolarHBondContact OD1-CB 3.5Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.24Å; D279-T281 PolarHBondContact OD1-N 3.01Å; D279-T281 PolarHBondContact OD1-OG1 3.03Å; D279-T281 PolarHBondContact OD2-OG1 2.82Å; D279-T281 VanDerWaalsContact OD2-OG1 3.1Å; D279-L282 WeakPolarHBondContact O-CB 3.11Å; D279-L282 PolarHBondContact O-N 3.38Å
280P75.6Confident83.3Confident126 Ų12671.3 Ų71.382%0.81841%0.412SS*.THydrogen-bonded Turntrans-68.5-12.9179.630.8-36.3000112.9A278 L282A278-P280 VanDerWaalsContact O-CD 3.26Å; A278-P280 WeakPolarHBondContact O-CD 3.32Å; P280-L282 VanDerWaalsContact C-N 3.31Å
281T73.5Confident83.4Confident108 Ų10873 Ų7366%0.66342%0.424SS*.THydrogen-bonded Turntrans-83.5-6.5178.274.70000113.2D279 P283D279-T281 PolarHBondContact O-N 2.9Å; D279-T281 VanDerWaalsContact O-N 3.16Å; D279-T281 WeakPolarHBondContact OD1-CA 3.48Å; D279-T281 VanDerWaalsContact OD1-CB 3.27Å; D279-T281 WeakPolarHBondContact OD1-CB 3.5Å; D279-T281 WeakPolarHBondContact OD1-CG2 3.24Å; D279-T281 PolarHBondContact OD1-N 3.01Å; D279-T281 PolarHBondContact OD1-OG1 3.03Å; D279-T281 PolarHBondContact OD2-OG1 2.82Å; D279-T281 VanDerWaalsContact OD2-OG1 3.1Å; T281-P283 WeakPolarHBondContact O-CD 3.43Å; T281-P283 VanDerWaalsContact O-N 3.07Å
282L73.3Confident83.5Confident47 Ų4768.7 Ų68.725%0.24640%0.404CS..SBendtrans-58.5116.1177.7-162.774.7000109.3P253 D279 P280 K284P253-L282 HydrophobicContact CB-CD2 4.46Å; P253-L282 HydrophobicContact CG-CD2 3.92Å; D279-L282 WeakPolarHBondContact O-CB 3.11Å; D279-L282 PolarHBondContact O-N 3.38Å; P280-L282 VanDerWaalsContact C-N 3.31Å; L282-K284 PolarHBondContact O-N 3.11Å
283P67.3Low83.8Confident85 Ų8567 Ų6755%0.55240%0.396SS*.PPolyproline II helixtrans-65.3135.8-16923.4-32.6000110.8M218 T281 K285M218-P283 HydrophobicContact CE-CB 4.44Å; T281-P283 WeakPolarHBondContact O-CD 3.43Å; T281-P283 VanDerWaalsContact O-N 3.07Å; P283-K285 PolarHBondContact O-N 2.77Å
284K75.8Confident84Confident172 Ų17268.4 Ų68.475%0.74841%0.405SS*.PPolyproline II helixtrans-60.1128.4165.3-67-173.2-179-177.60108.1L282 L286L282-K284 PolarHBondContact O-N 3.11Å; K284-L286 HydrophobicContact CB-CD1 4.02Å; K284-L286 HydrophobicContact CB-CG 4.21Å; K284-L286 HydrophobicContact CD-CD1 4.3Å; K284-L286 PolarHBondContact O-N 3.09Å
285K81.6Confident84.2Confident40 Ų4068.9 Ų68.917%0.17441%0.411CS..  trans-8063.3-177.7-65.4177.9177.8178.30111.8H206 S209 K212 G213 M218 P248 P283H206-K285 PolarHBondContact O-NZ 2.89Å; S209-K285 WeakPolarHBondContact O-CE 3.21Å; S209-K285 PolarHBondContact O-NZ 2.84Å; K212-K285 VanDerWaalsContact O-CD 3.28Å; K212-K285 WeakPolarHBondContact O-CD 3.35Å; K212-K285 PolarHBondContact O-NZ 2.95Å; G213-K285 WeakPolarHBondContact O-CB 3.43Å; G213-K285 VanDerWaalsContact O-CD 3.25Å; G213-K285 WeakPolarHBondContact O-CD 3.27Å; M218-K285 HydrophobicContact CG-CB 4.18Å; M218-K285 HydrophobicContact CG-CG 4.32Å; P248-K285 WeakPolarHBondContact CB-O 2.93Å; P283-K285 PolarHBondContact O-N 2.77Å
286L82.7Confident84.6Confident98 Ų9866 Ų6651%0.51339%0.389SS..  trans-109.1134.9180-67.1169.2000109.5P248 K284 A288P248-L286 HydrophobicContact CB-CD2 3.84Å; P248-L286 HydrophobicContact CG-CD2 4.17Å; K284-L286 HydrophobicContact CB-CD1 4.02Å; K284-L286 HydrophobicContact CB-CG 4.21Å; K284-L286 HydrophobicContact CD-CD1 4.3Å; K284-L286 PolarHBondContact O-N 3.09Å; L286-A288 PolarHBondContact O-N 3.49Å
287P81.4Confident84.8Confident21 Ų2167.1 Ų67.114%0.13640%0.395CS..  trans-60.4140.417724.7-32.5000110.7L217 N289 P290 V293L217-P287 HydrophobicContact CB-CB 4.11Å; L217-P287 HydrophobicContact CD1-CB 3.98Å; L217-P287 HydrophobicContact CD1-CG 3.99Å; P287-N289 PolarHBondContact O-N 2.85Å; P287-P290 HydrophobicContact CG-CB 4.26Å; P287-P290 HydrophobicContact CG-CG 4.11Å; P287-V293 HydrophobicContact CB-CG2 3.9Å; P287-V293 HydrophobicContact CG-CG2 4.32Å
288A80.9Confident85.2Confident85 Ų8567.4 Ų67.470%0.70240%0.397SS*.SBendtrans-58-32.7174.800000112.3P221 L286P221-A288 HydrophobicContact CB-CB 4.39Å; L286-A288 PolarHBondContact O-N 3.49Å
289N86.8Confident85.6Confident59 Ų5964 Ų6432%0.31637%0.368SS..  trans-138.198.8173.1-172.4-17000110.7P287 S291 R292P287-N289 PolarHBondContact O-N 2.85Å; N289-S291 PolarHBondContact O-N 2.99Å; N289-S291 VanDerWaalsContact O-N 3.15Å; N289-S291 WeakPolarHBondContact OD1-CB 3.36Å; N289-S291 PolarHBondContact OD1-N 2.65Å; N289-S291 VanDerWaalsContact OD1-N 3.08Å; N289-S291 PolarHBondContact OD1-OG 3.48Å; N289-R292 HydrophobicContact CB-CG 4.11Å; N289-R292 WeakPolarHBondContact O-CB 3.46Å; N289-R292 PolarHBondContact O-N 3.01Å
290P89.9Confident86.1Confident90 Ų9061.9 Ų61.958%0.58436%0.357SS*.G310 helixtrans-55.9-30.8178.9-24.732000113.9P287 R292 V293P287-P290 HydrophobicContact CG-CB 4.26Å; P287-P290 HydrophobicContact CG-CG 4.11Å; P290-R292 PolarHBondContact O-N 2.66Å; P290-R292 VanDerWaalsContact O-N 3.12Å; P290-V293 PolarHBondContact O-N 3.5Å; P290-V293 VanDerWaalsContact O-N 3.08Å
291S90.7Very high87Confident72 Ų7256 Ų5650%0.50332%0.319SS..G310 helixtrans-68-9.9179.277.10000113.9R52 N289R52-S291 VanDerWaalsContact CZ-O 3.23Å; R52-S291 PolarHBondContact NH1-O 3.46Å; R52-S291 PolarHBondContact NH2-O 3.32Å; N289-S291 PolarHBondContact O-N 2.99Å; N289-S291 VanDerWaalsContact O-N 3.15Å; N289-S291 WeakPolarHBondContact OD1-CB 3.36Å; N289-S291 PolarHBondContact OD1-N 2.65Å; N289-S291 VanDerWaalsContact OD1-N 3.08Å; N289-S291 PolarHBondContact OD1-OG 3.48Å
292R92Very high88Confident74 Ų7453.5 Ų53.528%0.27930%0.304SS..G310 helixtrans-90.5-8.8174.5-67.9-173.6177.8-177.9-0.7113.3L222 I225 N289 P290L222-R292 PolarHBondContact O-NH1 2.97Å; I225-R292 PolarHBondContact N-O 2.75Å; N289-R292 HydrophobicContact CB-CG 4.11Å; N289-R292 WeakPolarHBondContact O-CB 3.46Å; N289-R292 PolarHBondContact O-N 3.01Å; P290-R292 PolarHBondContact O-N 2.66Å; P290-R292 VanDerWaalsContact O-N 3.12Å
293V94.3Very high89.1Confident26 Ų2654.6 Ų54.616%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-107.5131.2-175-173.20000109.7L217 I225 P287 P290L217-V293 HydrophobicContact CD1-CG1 4.29Å; L217-V293 HydrophobicContact CD1-CG2 4.31Å; L217-V293 HydrophobicContact CD2-CG1 3.78Å; L217-V293 HydrophobicContact CD2-CG2 3.84Å; I225-V293 HydrophobicContact CB-CG2 4.42Å; I225-V293 CarbonylContact O-C 3.53Å; I225-V293 WeakPolarHBondContact O-CA 3.32Å; P287-V293 HydrophobicContact CB-CG2 3.9Å; P287-V293 HydrophobicContact CG-CG2 4.32Å; P290-V293 PolarHBondContact O-N 3.5Å; P290-V293 VanDerWaalsContact O-N 3.08Å
294S95.4Very high90.5Very high28 Ų2850.6 Ų50.620%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-134.7121.8173.4-55.60000108.9C51 Y54 I225 V226 A227C51-S294 VanDerWaalsContact SG-CB 3.53Å; Y54-S294 PolarHBondContact OH-OG 2.83Å; Y54-S294 VanDerWaalsContact OH-OG 3.07Å; I225-S294 PolarHBondContact O-N 3.38Å; V226-S294 CarbonylContact C-O 3.58Å; V226-S294 WeakPolarHBondContact CA-O 3.49Å; A227-S294 PolarHBondContact N-O 3.25Å
295N94.6Very high91.5Very high51 Ų5142.5 Ų42.527%0.27325%0.247SC..EExtended strand (participates in β ladder)trans-109.3121.9176.3-66.5-72.3000108.2A227 I229 L238 T246A227-N295 VanDerWaalsContact CB-OD1 3.23Å; A227-N295 WeakPolarHBondContact CB-OD1 3.39Å; I229-N295 HydrophobicContact CD1-CB 4.02Å; L238-N295 HydrophobicContact CD1-CB 3.95Å; T246-N295 VanDerWaalsContact CB-OD1 3.23Å; T246-N295 WeakPolarHBondContact CB-OD1 3.31Å; T246-N295 PolarHBondContact O-ND2 3.37Å; T246-N295 PolarHBondContact O-OD1 3.43Å; T246-N295 PolarHBondContact OG1-OD1 3.07Å
296V95Very high92.3Very high23 Ų2348.5 Ų48.514%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-120.3117.6-176.9-171.10000108.8C51 A227 L228 I229 I298C51-V296 WeakPolarHBondContact SG-CG2 3.42Å; A227-V296 PolarHBondContact O-N 3.01Å; L228-V296 HydrophobicContact CD2-CB 4.03Å; L228-V296 HydrophobicContact CD2-CG2 4.35Å; I229-V296 PolarHBondContact N-O 3.29Å; V296-I298 HydrophobicContact CB-CG2 4.25Å; V296-I298 HydrophobicContact CG1-CG2 3.75Å; V296-I298 PolarHBondContact O-N 3.35Å
297L94.2Very high93.1Very high66 Ų6644.7 Ų44.735%0.34625%0.25SS..EExtended strand (participates in β ladder)trans-76.2110.3168-177.567.5000108.3I229 N236 L238 G299 D300I229-L297 HydrophobicContact CG2-CD1 4.4Å; I229-L297 CarbonylContact O-C 3.55Å; I229-L297 WeakPolarHBondContact O-CA 3.48Å; N236-L297 HydrophobicContact CB-CD2 4.05Å; L238-L297 HydrophobicContact CD2-CB 4.43Å; L238-L297 HydrophobicContact CD2-CD1 4.27Å; L297-G299 WeakPolarHBondContact CD1-O 3.26Å; L297-D300 HydrophobicContact CD2-CB 4.29Å
298I95.3Very high93.9Very high10 Ų1043.7 Ų43.75%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-102.5-15.6-176.359162.8000113.1L32 V33 S36 M72 L228 I229 I230 V296 M303L32-I298 HydrophobicContact CB-CD1 3.95Å; L32-I298 HydrophobicContact CB-CG1 4.47Å; L32-I298 WeakPolarHBondContact CD1-O 3.19Å; L32-I298 WeakPolarHBondContact CD2-O 3.27Å; V33-I298 HydrophobicContact CG2-CD1 3.71Å; S36-I298 VanDerWaalsContact OG-CG2 3.28Å; S36-I298 WeakPolarHBondContact OG-CG2 3.5Å; M72-I298 HydrophobicContact CE-CD1 4.19Å; L228-I298 HydrophobicContact CB-CD1 3.82Å; L228-I298 HydrophobicContact CB-CG1 4.31Å; L228-I298 HydrophobicContact CB-CG2 4.32Å; L228-I298 HydrophobicContact CD2-CG2 4.02Å; I229-I298 WeakPolarHBondContact O-CG1 3.3Å; I229-I298 PolarHBondContact O-N 2.64Å; I230-I298 HydrophobicContact CD1-CD1 4.48Å; I230-I298 HydrophobicContact CG1-CD1 4.08Å; I230-I298 HydrophobicContact CG1-CG1 3.87Å; V296-I298 HydrophobicContact CB-CG2 4.25Å; V296-I298 HydrophobicContact CG1-CG2 3.75Å; V296-I298 PolarHBondContact O-N 3.35Å; I298-M303 WeakPolarHBondContact O-CE 3.26Å
299G94.2Very high94.7Very high1 Ų140.9 Ų40.91%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-157.8143.9176.800000111.8I230 S231 L297I230-G299 CarbonylContact C-O 3.16Å; I230-G299 WeakPolarHBondContact CA-O 3.46Å; S231-G299 PolarHBondContact N-O 3.44Å; L297-G299 WeakPolarHBondContact CD1-O 3.26Å
300D93.6Very high95.2Very high17 Ų1743.5 Ų43.59%0.09123%0.229CC..  trans-158178178.976.8-22.9000111.4N236 L297 T302 M303 A304N236-D300 PolarHBondContact ND2-OD2 2.65Å; L297-D300 HydrophobicContact CD2-CB 4.29Å; D300-T302 VanDerWaalsContact C-N 3.28Å; D300-T302 PolarHBondContact O-N 3.28Å; D300-T302 WeakPolarHBondContact OD1-CB 3.1Å; D300-T302 PolarHBondContact OD1-N 3.26Å; D300-T302 WeakPolarHBondContact OD2-CB 3.37Å; D300-T302 PolarHBondContact OD2-OG1 2.93Å; D300-M303 PolarHBondContact O-N 2.75Å; D300-M303 WeakPolarHBondContact OD1-CB 3.18Å; D300-M303 PolarHBondContact OD1-N 3.21Å; D300-A304 PolarHBondContact O-N 3.02Å
301N94.1Very high95.7Very high4 Ų439.8 Ų39.82%0.02120%0.204CC..Hα-helixtrans-65.4-31.9178.4-173.4-92.8000112.3M303 A304 L305 G389 V503 M504 D505N301-M303 VanDerWaalsContact C-N 3.32Å; N301-M303 PolarHBondContact O-N 3.36Å; N301-A304 PolarHBondContact O-N 3.05Å; N301-L305 WeakPolarHBondContact O-CB 3.46Å; N301-L305 WeakPolarHBondContact O-CG 3.34Å; N301-L305 PolarHBondContact O-N 3.07Å; N301-L305 WeakPolarHBondContact OD1-CD1 3.33Å; N301-G389 WeakPolarHBondContact OD1-CA 3.36Å; N301-V503 HydrophobicContact CB-CB 4.45Å; N301-V503 VanDerWaalsContact CB-O 3.24Å; N301-V503 WeakPolarHBondContact CB-O 3.32Å; N301-V503 PolarHBondContact ND2-O 3.2Å; N301-M504 HydrophobicContact CB-CE 3.35Å; N301-D505 PolarHBondContact ND2-O 2.75Å; N301-D505 VanDerWaalsContact ND2-O 3.11Å
302T94.8Very high96Very high55 Ų5536.3 Ų36.334%0.33718%0.18SC..Hα-helixtrans-61-42.2177.5-510000111.6D300 L305 R306D300-T302 VanDerWaalsContact C-N 3.28Å; D300-T302 PolarHBondContact O-N 3.28Å; D300-T302 WeakPolarHBondContact OD1-CB 3.1Å; D300-T302 PolarHBondContact OD1-N 3.26Å; D300-T302 WeakPolarHBondContact OD2-CB 3.37Å; D300-T302 PolarHBondContact OD2-OG1 2.93Å; T302-L305 PolarHBondContact O-N 3.36Å; T302-R306 WeakPolarHBondContact O-CB 3.09Å; T302-R306 PolarHBondContact O-N 2.91Å
303M96.3Very high96.3Very high70 Ų7036.7 Ų36.735%0.34519%0.19SC..Hα-helixtrans-62.2-46.8175.2-175.4178.4-66.600111.4V27 L32 I298 D300 N301 L305 R306 S307V27-M303 HydrophobicContact CG1-CB 3.99Å; V27-M303 HydrophobicContact CG1-CG 4Å; V27-M303 HydrophobicContact CG1-SD 4.02Å; L32-M303 HydrophobicContact CD2-SD 3.89Å; I298-M303 WeakPolarHBondContact O-CE 3.26Å; D300-M303 PolarHBondContact O-N 2.75Å; D300-M303 WeakPolarHBondContact OD1-CB 3.18Å; D300-M303 PolarHBondContact OD1-N 3.21Å; N301-M303 VanDerWaalsContact C-N 3.32Å; N301-M303 PolarHBondContact O-N 3.36Å; M303-L305 PolarHBondContact O-N 3.21Å; M303-R306 WeakPolarHBondContact O-CB 3.48Å; M303-R306 PolarHBondContact O-N 3.08Å; M303-S307 PolarHBondContact O-N 2.64Å
304A97.1Very high96.5Very high0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-61.1-44.9177.100000112.2A23 V27 D300 N301 R306 S307 A308 V503 L506A23-A304 HydrophobicContact CB-CB 4.27Å; A23-A304 WeakPolarHBondContact CB-O 3.32Å; V27-A304 HydrophobicContact CG1-CB 4.07Å; V27-A304 HydrophobicContact CG2-CB 4.28Å; D300-A304 PolarHBondContact O-N 3.02Å; N301-A304 PolarHBondContact O-N 3.05Å; A304-R306 VanDerWaalsContact C-N 3.33Å; A304-R306 PolarHBondContact O-N 3.43Å; A304-S307 PolarHBondContact O-N 2.85Å; A304-A308 WeakPolarHBondContact O-CB 3.35Å; A304-A308 PolarHBondContact O-N 2.97Å; A304-V503 HydrophobicContact CB-CG2 3.88Å; A304-L506 HydrophobicContact CB-CD1 4.43Å; A304-L506 HydrophobicContact CB-CD2 4.46Å
305L97.6Very high96.6Very high2 Ų245.1 Ų45.11%0.0122%0.218CC..Hα-helixtrans-61.6-39.5175.9-77.7169.8000112.7N301 T302 M303 A308 C309 V321 R324 L387 L506N301-L305 WeakPolarHBondContact O-CB 3.46Å; N301-L305 WeakPolarHBondContact O-CG 3.34Å; N301-L305 PolarHBondContact O-N 3.07Å; N301-L305 WeakPolarHBondContact OD1-CD1 3.33Å; T302-L305 PolarHBondContact O-N 3.36Å; M303-L305 PolarHBondContact O-N 3.21Å; L305-A308 PolarHBondContact O-N 3.42Å; L305-C309 WeakPolarHBondContact O-CB 3.15Å; L305-C309 PolarHBondContact O-N 3.37Å; L305-V321 HydrophobicContact CB-CG1 4.28Å; L305-V321 HydrophobicContact CB-CG2 4.1Å; L305-V321 HydrophobicContact CD1-CG1 3.89Å; L305-V321 HydrophobicContact CD2-CG1 4.4Å; L305-V321 HydrophobicContact CG-CG1 4.45Å; L305-R324 HydrophobicContact CD1-CB 4.43Å; L305-R324 HydrophobicContact CD1-CG 3.78Å; L305-L387 HydrophobicContact CD2-CB 3.99Å; L305-L506 HydrophobicContact CD2-CD2 3.6Å; L305-L506 HydrophobicContact CG-CD2 3.79Å
306R97.7Very high96.7Very high166 Ų16645.4 Ų45.463%0.62623%0.234SC*.Hα-helixtrans-63.9-48.3176.9-174.7-177.9-166.7145.78.4111T302 M303 A304 A308 C309 E310T302-R306 WeakPolarHBondContact O-CB 3.09Å; T302-R306 PolarHBondContact O-N 2.91Å; M303-R306 WeakPolarHBondContact O-CB 3.48Å; M303-R306 PolarHBondContact O-N 3.08Å; A304-R306 VanDerWaalsContact C-N 3.33Å; A304-R306 PolarHBondContact O-N 3.43Å; R306-A308 VanDerWaalsContact C-N 3.34Å; R306-A308 PolarHBondContact O-N 2.91Å; R306-C309 WeakPolarHBondContact O-CB 3.29Å; R306-C309 PolarHBondContact O-N 3.32Å; R306-E310 WeakPolarHBondContact CG-OE1 3.5Å; R306-E310 IonicContact NE-OE1 3.08Å; R306-E310 PolarHBondContact NE-OE1 2.92Å; R306-E310 VanDerWaalsContact NE-OE1 3.15Å; R306-E310 WeakPolarHBondContact O-CG 3.3Å; R306-E310 PolarHBondContact O-N 3.13Å
307S98.2Very high96.8Very high18 Ų1845.1 Ų45.113%0.12623%0.23CC..Hα-helixtrans-60.2-44.2176.7-174.50000111.5S22 S26 M303 A304 C309 E310 E311S22-S307 PolarHBondContact O-OG 3.4Å; S22-S307 PolarHBondContact OG-OG 2.94Å; S22-S307 VanDerWaalsContact OG-OG 3.12Å; S26-S307 VanDerWaalsContact CB-CB 3.42Å; S26-S307 WeakPolarHBondContact CB-OG 3.43Å; S26-S307 VanDerWaalsContact OG-CB 3.25Å; S26-S307 WeakPolarHBondContact OG-CB 2.93Å; M303-S307 PolarHBondContact O-N 2.64Å; A304-S307 PolarHBondContact O-N 2.85Å; S307-C309 VanDerWaalsContact C-N 3.32Å; S307-C309 PolarHBondContact O-N 3.47Å; S307-E310 PolarHBondContact O-N 3.4Å; S307-E311 WeakPolarHBondContact O-CB 3.44Å; S307-E311 PolarHBondContact O-N 3.33Å
308A98.5Very high97Very high1 Ų147.6 Ų47.61%0.00824%0.235CC..Hα-helixtrans-57.1-44.2173.900000112.4I19 A23 A304 L305 R306 E311 A312 L387I19-A308 HydrophobicContact CG2-CB 3.68Å; I19-A308 WeakPolarHBondContact CG2-O 3.21Å; A23-A308 HydrophobicContact CB-CB 3.94Å; A304-A308 WeakPolarHBondContact O-CB 3.35Å; A304-A308 PolarHBondContact O-N 2.97Å; L305-A308 PolarHBondContact O-N 3.42Å; R306-A308 VanDerWaalsContact C-N 3.34Å; R306-A308 PolarHBondContact O-N 2.91Å; A308-E311 PolarHBondContact O-N 3.17Å; A308-A312 VanDerWaalsContact O-CB 3.31Å; A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 3.39Å; A308-L387 HydrophobicContact CB-CD1 3.94Å; A308-L387 HydrophobicContact CB-CD2 4.26Å
309C98.3Very high97.2Very high26 Ų2647.7 Ų47.718%0.17624%0.237CC..Hα-helixtrans-64-47.2178.6-172.60000111.8L305 R306 S307 E311 A312 V313 V321 L387L305-C309 WeakPolarHBondContact O-CB 3.15Å; L305-C309 PolarHBondContact O-N 3.37Å; R306-C309 WeakPolarHBondContact O-CB 3.29Å; R306-C309 PolarHBondContact O-N 3.32Å; S307-C309 VanDerWaalsContact C-N 3.32Å; S307-C309 PolarHBondContact O-N 3.47Å; C309-E311 VanDerWaalsContact C-N 3.34Å; C309-E311 PolarHBondContact O-N 2.93Å; C309-A312 PolarHBondContact O-N 2.73Å; C309-V313 WeakPolarHBondContact O-CG2 3.4Å; C309-V313 PolarHBondContact O-N 2.64Å; C309-V321 HydrophobicContact CB-CG2 4.14Å; C309-L387 VanDerWaalsContact CA-CD1 3.5Å; C309-L387 HydrophobicContact CB-CD1 3.67Å
310E98.5Very high97.3Very high113 Ų11348.6 Ų48.653%0.52824%0.241SC..Hα-helixtrans-62.3-41.3178.2-71.3170.6-173.800111.3R306 S307 V313 R314R306-E310 WeakPolarHBondContact CG-OE1 3.5Å; R306-E310 IonicContact NE-OE1 3.08Å; R306-E310 PolarHBondContact NE-OE1 2.92Å; R306-E310 VanDerWaalsContact NE-OE1 3.15Å; R306-E310 WeakPolarHBondContact O-CG 3.3Å; R306-E310 PolarHBondContact O-N 3.13Å; S307-E310 PolarHBondContact O-N 3.4Å; E310-V313 PolarHBondContact O-N 2.92Å; E310-R314 PolarHBondContact O-N 2.87Å
311E98.6Very high97.5Very high12 Ų1248.7 Ų48.76%0.05624%0.242CC..Hα-helixtrans-66.9-42.1176.3-177.958.7-166.100112.5Q18 I19 S307 A308 C309 V313 R314 I315Q18-E311 VanDerWaalsContact CD-OE1 3.32Å; Q18-E311 HydrophobicContact CG-CG 4.42Å; Q18-E311 WeakPolarHBondContact CG-OE1 3.47Å; Q18-E311 PolarHBondContact NE2-OE1 3.07Å; I19-E311 HydrophobicContact CG1-CG 4.26Å; S307-E311 WeakPolarHBondContact O-CB 3.44Å; S307-E311 PolarHBondContact O-N 3.33Å; A308-E311 PolarHBondContact O-N 3.17Å; C309-E311 VanDerWaalsContact C-N 3.34Å; C309-E311 PolarHBondContact O-N 2.93Å; E311-V313 VanDerWaalsContact C-N 3.28Å; E311-V313 PolarHBondContact O-N 3.48Å; E311-R314 WeakPolarHBondContact O-CB 3.44Å; E311-R314 PolarHBondContact O-N 3Å; E311-R314 VanDerWaalsContact O-N 3.1Å; E311-R314 IonicContact OE1-CZ 2.88Å; E311-R314 IonicContact OE1-NE 3.41Å; E311-R314 PolarHBondContact OE1-NE 2.68Å; E311-R314 IonicContact OE1-NH2 2.67Å; E311-R314 PolarHBondContact OE1-NH2 2.77Å; E311-R314 IonicContact OE2-CZ 2.93Å; E311-R314 IonicContact OE2-NE 3.16Å; E311-R314 PolarHBondContact OE2-NE 3.14Å; E311-R314 IonicContact OE2-NH2 3.15Å; E311-R314 PolarHBondContact OE2-NH2 2.73Å; E311-I315 PolarHBondContact O-N 3.37Å
312A98.5Very high97.7Very high0 Ų048.6 Ų48.60%024%0.241CC..Hα-helixtrans-59.4-42174.700000111.1I19 A308 C309 I315 G316 F317 C385I19-A312 HydrophobicContact CD1-CB 3.68Å; I19-A312 HydrophobicContact CG1-CB 4Å; A308-A312 VanDerWaalsContact O-CB 3.31Å; A308-A312 WeakPolarHBondContact O-CB 3.46Å; A308-A312 PolarHBondContact O-N 3.39Å; C309-A312 PolarHBondContact O-N 2.73Å; A312-I315 WeakPolarHBondContact O-CG1 3.39Å; A312-I315 PolarHBondContact O-N 3.11Å; A312-G316 PolarHBondContact O-N 3.36Å; A312-F317 HydrophobicContact CB-CB 4.28Å; A312-F317 HydrophobicContact CB-CD2 4.4Å; A312-F317 WeakPolarHBondContact O-CB 3.45Å; A312-F317 WeakPolarHBondContact O-CD2 3.46Å; A312-F317 PolarHBondContact O-N 3.23Å; A312-C385 HydrophobicContact CB-CB 3.85Å
313V98.4Very high97.6Very high81 Ų8146 Ų4649%0.49123%0.225SC..Hα-helixtrans-62.1-43.9173.3173.70000111.3C309 E310 E311 I315 G316 F317C309-V313 WeakPolarHBondContact O-CG2 3.4Å; C309-V313 PolarHBondContact O-N 2.64Å; E310-V313 PolarHBondContact O-N 2.92Å; E311-V313 VanDerWaalsContact C-N 3.28Å; E311-V313 PolarHBondContact O-N 3.48Å; V313-I315 VanDerWaalsContact C-N 3.27Å; V313-I315 PolarHBondContact O-N 3.31Å; V313-G316 PolarHBondContact O-N 3.41Å; V313-G316 VanDerWaalsContact O-N 3.08Å; V313-F317 WeakPolarHBondContact CA-O 3.38Å
314R97.9Very high97.3Very high177 Ų17747 Ų4767%0.66823%0.225SC*.Hα-helixtrans-58.7-37.3178.7-170177.572.5130.2-5.3112.7E310 E311 G316E310-R314 PolarHBondContact O-N 2.87Å; E311-R314 WeakPolarHBondContact O-CB 3.44Å; E311-R314 PolarHBondContact O-N 3Å; E311-R314 VanDerWaalsContact O-N 3.1Å; E311-R314 IonicContact OE1-CZ 2.88Å; E311-R314 IonicContact OE1-NE 3.41Å; E311-R314 PolarHBondContact OE1-NE 2.68Å; E311-R314 IonicContact OE1-NH2 2.67Å; E311-R314 PolarHBondContact OE1-NH2 2.77Å; E311-R314 IonicContact OE2-CZ 2.93Å; E311-R314 IonicContact OE2-NE 3.16Å; E311-R314 PolarHBondContact OE2-NE 3.14Å; E311-R314 IonicContact OE2-NH2 3.15Å; E311-R314 PolarHBondContact OE2-NH2 2.73Å; R314-G316 VanDerWaalsContact C-N 3.33Å
315I96.8Very high96.9Very high54 Ų5450.2 Ų50.228%0.27725%0.245SC..THydrogen-bonded Turntrans-90.910.717971.8176.1000114.2Q18 I19 E311 A312 V313 F317Q18-I315 VanDerWaalsContact NE2-CG2 3.35Å; I19-I315 HydrophobicContact CD1-CD1 3.84Å; I19-I315 HydrophobicContact CG1-CD1 3.76Å; E311-I315 PolarHBondContact O-N 3.37Å; A312-I315 WeakPolarHBondContact O-CG1 3.39Å; A312-I315 PolarHBondContact O-N 3.11Å; V313-I315 VanDerWaalsContact C-N 3.27Å; V313-I315 PolarHBondContact O-N 3.31Å; I315-F317 HydrophobicContact CD1-CD2 4.19Å; I315-F317 HydrophobicContact CD1-CE2 3.89Å; I315-F317 HydrophobicContact CG1-CD2 3.76Å; I315-F317 HydrophobicContact CG1-CE2 3.89Å
316G96.8Very high96.7Very high58 Ų5850.3 Ų50.360%0.59825%0.246SC*.THydrogen-bonded Turntrans1057.3166.600000116.4A312 V313 R314A312-G316 PolarHBondContact O-N 3.36Å; V313-G316 PolarHBondContact O-N 3.41Å; V313-G316 VanDerWaalsContact O-N 3.08Å; R314-G316 VanDerWaalsContact C-N 3.33Å
317F97.9Very high96.3Very high16 Ų1645.1 Ų45.17%0.0724%0.235CC..  trans-84.3155.7173.2-65.3-87.9000112.1I19 A312 V313 I315 S383 C385 T510 Y512I19-F317 HydrophobicContact CD1-CD2 4.49Å; I19-F317 HydrophobicContact CD1-CE2 4.42Å; A312-F317 HydrophobicContact CB-CB 4.28Å; A312-F317 HydrophobicContact CB-CD2 4.4Å; A312-F317 WeakPolarHBondContact O-CB 3.45Å; A312-F317 WeakPolarHBondContact O-CD2 3.46Å; A312-F317 PolarHBondContact O-N 3.23Å; V313-F317 WeakPolarHBondContact CA-O 3.38Å; I315-F317 HydrophobicContact CD1-CD2 4.19Å; I315-F317 HydrophobicContact CD1-CE2 3.89Å; I315-F317 HydrophobicContact CG1-CD2 3.76Å; I315-F317 HydrophobicContact CG1-CE2 3.89Å; F317-S383 WeakPolarHBondContact CA-O 3.01Å; F317-C385 HydrophobicContact CB-CB 3.84Å; F317-C385 HydrophobicContact CD1-CB 4.01Å; F317-C385 HydrophobicContact CD2-CB 4.46Å; F317-C385 HydrophobicContact CG-CB 3.86Å; F317-T510 HydrophobicContact CE1-CG2 4.44Å; F317-T510 HydrophobicContact CZ-CG2 4.42Å; F317-Y512 HydrophobicContact CE1-CD1 4.29Å; F317-Y512 AromaticContact CE1-CE1 3.78Å; F317-Y512 HydrophobicContact CE1-CE1 3.78Å; F317-Y512 AromaticContact CE1-CZ 3.98Å; F317-Y512 HydrophobicContact CZ-CD1 4.36Å; F317-Y512 AromaticContact CZ-CE1 3.46Å; F317-Y512 HydrophobicContact CZ-CE1 3.46Å; F317-Y512 VanDerWaalsContact CZ-CE1 3.46Å; F317-Y512 AromaticContact CZ-CZ 3.65Å; F317-Y512 WeakPolarHBondContact CZ-OH 3.31Å
318R98.2Very high95.9Very high118 Ų11845.9 Ų45.945%0.44525%0.245SC..EExtended strand (participates in β ladder)trans-82.3127.1147.7-66.6-68.5-71.7-172.8-1.6107.1F320 T377 R382 S383 T384 C385R318-F320 HydrophobicContact CB-CE2 4.03Å; R318-F320 HydrophobicContact CB-CZ 4.44Å; R318-T377 HydrophobicContact CB-CG2 3.49Å; R318-T377 VanDerWaalsContact CB-CG2 3.49Å; R318-T377 HydrophobicContact CG-CG2 3.75Å; R318-R382 HydrophobicContact CG-CB 4.37Å; R318-S383 PolarHBondContact N-O 2.87Å; R318-T384 CarbonylContact O-C 3.59Å; R318-T384 VanDerWaalsContact O-CA 3.27Å; R318-T384 WeakPolarHBondContact O-CA 3.21Å; R318-C385 PolarHBondContact O-N 2.86Å
319S98.4Very high95.6Very high13 Ų1348 Ų489%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-125.5144.1-174.2-167.40000113C385S319-C385 CarbonylContact C-O 3.43Å; S319-C385 WeakPolarHBondContact CA-O 3.13Å; S319-C385 PolarHBondContact OG-O 2.81Å
320F98.1Very high95.5Very high20 Ų2046.7 Ų46.79%0.08825%0.246CC..EExtended strand (participates in β ladder)trans-144.2131.4-175.1-54.9-83.3000110.7R318 L322 T370 D373 V374 T377 T384 C385 L386 L387R318-F320 HydrophobicContact CB-CE2 4.03Å; R318-F320 HydrophobicContact CB-CZ 4.44Å; F320-L322 HydrophobicContact CB-CD2 3.92Å; F320-T370 HydrophobicContact CB-CG2 4.07Å; F320-T370 HydrophobicContact CD1-CG2 4.12Å; F320-T370 HydrophobicContact CG-CG2 4.49Å; F320-D373 HydrophobicContact CD1-CB 4.32Å; F320-D373 HydrophobicContact CE1-CB 3.46Å; F320-D373 VanDerWaalsContact CE1-CB 3.46Å; F320-D373 HydrophobicContact CZ-CB 3.89Å; F320-V374 HydrophobicContact CB-CG2 3.9Å; F320-V374 HydrophobicContact CD1-CG2 4.24Å; F320-V374 HydrophobicContact CD2-CG2 3.6Å; F320-V374 HydrophobicContact CE2-CG2 4.14Å; F320-V374 HydrophobicContact CG-CG2 3.64Å; F320-T377 HydrophobicContact CE2-CG2 4.3Å; F320-T377 WeakPolarHBondContact CZ-OG1 3.31Å; F320-T384 HydrophobicContact CD2-CG2 4.28Å; F320-T384 HydrophobicContact CE2-CG2 4.35Å; F320-C385 PolarHBondContact N-O 2.87Å; F320-L386 HydrophobicContact CB-CD2 4.12Å; F320-L386 HydrophobicContact CD2-CD2 3.92Å; F320-L386 HydrophobicContact CG-CD2 4.48Å; F320-L387 PolarHBondContact O-N 2.66Å
321V97.6Very high95.4Very high19 Ų1942.1 Ų42.112%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-87.7113168.8-179.90000108.4L305 C309 R324 L387L305-V321 HydrophobicContact CB-CG1 4.28Å; L305-V321 HydrophobicContact CB-CG2 4.1Å; L305-V321 HydrophobicContact CD1-CG1 3.89Å; L305-V321 HydrophobicContact CD2-CG1 4.4Å; L305-V321 HydrophobicContact CG-CG1 4.45Å; C309-V321 HydrophobicContact CB-CG2 4.14Å; V321-R324 HydrophobicContact CG1-CG 4.2Å; V321-L387 CarbonylContact C-O 3.57Å; V321-L387 WeakPolarHBondContact CA-O 3.37Å; V321-L387 HydrophobicContact CG2-CB 4.28Å; V321-L387 HydrophobicContact CG2-CD1 4.21Å
322L96.6Very high95.3Very high1 Ų144.8 Ų44.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-98.4-21.6-175.7-59.9-167.7000113.7F320 L363 C366 T370 V374 L386 L387 W388F320-L322 HydrophobicContact CB-CD2 3.92Å; L322-L363 HydrophobicContact CB-CD2 4.29Å; L322-L363 HydrophobicContact CD1-CD2 4.31Å; L322-C366 VanDerWaalsContact CD2-SG 3.6Å; L322-C366 WeakPolarHBondContact O-CA 3.44Å; L322-C366 WeakPolarHBondContact O-CB 3.25Å; L322-C366 PolarHBondContact O-N 3.13Å; L322-T370 HydrophobicContact CD2-CG2 3.64Å; L322-V374 HydrophobicContact CD1-CG2 4.47Å; L322-V374 HydrophobicContact CD2-CG2 3.83Å; L322-L386 HydrophobicContact CD1-CB 4.05Å; L322-L386 HydrophobicContact CD1-CD1 3.95Å; L322-L386 HydrophobicContact CD1-CD2 4.01Å; L322-L386 HydrophobicContact CD1-CG 4.22Å; L322-L386 HydrophobicContact CG-CB 4.47Å; L322-L386 HydrophobicContact CG-CD2 4.44Å; L322-L387 PolarHBondContact N-O 2.88Å; L322-W388 HydrophobicContact CB-CD2 4.28Å; L322-W388 HydrophobicContact CB-CZ2 3.78Å; L322-W388 HydrophobicContact CD1-CH2 3.81Å; L322-W388 HydrophobicContact CD1-CZ2 3.44Å; L322-W388 VanDerWaalsContact CD1-CZ2 3.44Å; L322-W388 HydrophobicContact CG-CZ2 4.09Å
323G92.5Very high95.2Very high1 Ų145 Ų451%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-160.5156.6170.900000114.3D365 W388 G389G323-D365 WeakPolarHBondContact CA-OD1 2.95Å; G323-D365 WeakPolarHBondContact CA-OD2 3.02Å; G323-W388 CarbonylContact O-C 3.56Å; G323-W388 VanDerWaalsContact O-CA 3.24Å; G323-W388 WeakPolarHBondContact O-CA 3.24Å; G323-G389 PolarHBondContact O-N 3.02Å
324R91.8Very high95.2Very high91 Ų9141.1 Ų41.134%0.34322%0.222SC..EExtended strand (participates in β ladder)trans-128.1-10.1-175.3-64.1172.5179.470.93.9112.8L305 V321 D365 G389L305-R324 HydrophobicContact CD1-CB 4.43Å; L305-R324 HydrophobicContact CD1-CG 3.78Å; V321-R324 HydrophobicContact CG1-CG 4.2Å; R324-D365 WeakPolarHBondContact CB-OD2 3.42Å; R324-D365 PolarHBondContact N-OD2 2.73Å; R324-G389 CarbonylContact C-O 3.56Å; R324-G389 WeakPolarHBondContact CA-O 3.31Å
325T88.6Confident95.2Very high67 Ų6736.1 Ų36.141%0.41121%0.205SC..EExtended strand (participates in β ladder)trans-121.434.1-177.663.60000111.4S327 G389T325-S327 PolarHBondContact O-N 3.28Å; T325-S327 PolarHBondContact O-OG 3.29Å; T325-G389 PolarHBondContact N-O 3.18Å
326L91.7Very high95.2Very high5 Ų536 Ų363%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-56.2125177.5-177.168.7000109V333 F337 L362 W388 G389 G390 E391 T392 V507L326-V333 HydrophobicContact CD1-CG1 3.84Å; L326-V333 HydrophobicContact CD2-CG1 4.39Å; L326-V333 HydrophobicContact CG-CG1 4.39Å; L326-F337 HydrophobicContact CD1-CE2 4.06Å; L326-F337 HydrophobicContact CD1-CZ 4.06Å; L326-F337 HydrophobicContact CD2-CE2 3.93Å; L326-F337 HydrophobicContact CD2-CZ 4Å; L326-L362 HydrophobicContact CD1-CD2 3.45Å; L326-L362 VanDerWaalsContact CD1-CD2 3.45Å; L326-W388 HydrophobicContact CD2-CB 4.43Å; L326-G389 VanDerWaalsContact CB-O 3.26Å; L326-G389 WeakPolarHBondContact CB-O 3.45Å; L326-G389 PolarHBondContact N-O 3Å; L326-G390 CarbonylContact O-C 3.47Å; L326-G390 WeakPolarHBondContact O-CA 3.39Å; L326-E391 PolarHBondContact O-N 3.16Å; L326-T392 HydrophobicContact CD2-CG2 4.28Å; L326-T392 HydrophobicContact CG-CG2 4.21Å; L326-V507 HydrophobicContact CD2-CB 4.47Å; L326-V507 HydrophobicContact CD2-CG2 3.56Å
327S90.7Very high95.2Very high56 Ų5633.3 Ų33.339%0.39218%0.175SC..  trans-154.2166.2-177.555.70000110.3T325T325-S327 PolarHBondContact O-N 3.28Å; T325-S327 PolarHBondContact O-OG 3.29Å
328G89.5Confident95.1Very high34 Ų3432.7 Ų32.735%0.35117%0.172SC..SBendtrans116-179-177.300000112.4T392 T393G328-T392 CarbonylContact O-C 3.43Å; G328-T392 WeakPolarHBondContact O-CA 3.48Å; G328-T392 WeakPolarHBondContact O-CB 3.44Å; G328-T393 PolarHBondContact O-N 3.27Å
329E92.9Very high94.9Very high45 Ų4527.8 Ų27.821%0.2116%0.157CC..BIsolated β-bridgetrans-74.7127.2-179.1-176.9-111.7179.600110.1S331 T332 V333 T393E329-S331 VanDerWaalsContact C-N 3.26Å; E329-S331 PolarHBondContact O-N 3.48Å; E329-S331 WeakPolarHBondContact OE1-CB 3.39Å; E329-S331 PolarHBondContact OE1-OG 3.46Å; E329-S331 PolarHBondContact OE2-OG 2.9Å; E329-T332 PolarHBondContact O-N 3.08Å; E329-T332 VanDerWaalsContact O-N 3.08Å; E329-T332 VanDerWaalsContact OE2-CB 3.27Å; E329-T332 WeakPolarHBondContact OE2-CB 3.26Å; E329-T332 PolarHBondContact OE2-N 2.96Å; E329-T332 PolarHBondContact OE2-OG1 3.32Å; E329-V333 WeakPolarHBondContact O-CG2 3.42Å; E329-V333 PolarHBondContact O-N 2.96Å; E329-T393 CarbonylContact C-O 3.43Å; E329-T393 WeakPolarHBondContact CA-O 3.49Å
330A95.8Very high94.7Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-53.7-41.2-170.300000112.4V333 G334 T393 V394 R404 E407 L408A330-V333 PolarHBondContact O-N 2.83Å; A330-G334 PolarHBondContact O-N 3.34Å; A330-T393 WeakPolarHBondContact CB-O 3.39Å; A330-T393 PolarHBondContact N-O 2.9Å; A330-V394 HydrophobicContact CB-CG2 4.05Å; A330-R404 HydrophobicContact CB-CB 4.3Å; A330-R404 WeakPolarHBondContact CB-O 3.46Å; A330-E407 HydrophobicContact CB-CB 4.17Å; A330-E407 HydrophobicContact CB-CG 4.45Å; A330-L408 HydrophobicContact CB-CB 4.11Å; A330-L408 WeakPolarHBondContact O-CA 3.25Å
331S95.8Very high94.5Very high16 Ų1626.7 Ų26.711%0.11215%0.15CC..Hα-helixtrans-65.7-46.6178.393.20000112E329 V333 G334 K335 S411E329-S331 VanDerWaalsContact C-N 3.26Å; E329-S331 PolarHBondContact O-N 3.48Å; E329-S331 WeakPolarHBondContact OE1-CB 3.39Å; E329-S331 PolarHBondContact OE1-OG 3.46Å; E329-S331 PolarHBondContact OE2-OG 2.9Å; S331-V333 PolarHBondContact O-N 2.95Å; S331-G334 PolarHBondContact O-N 3.19Å; S331-K335 WeakPolarHBondContact O-CG 3.42Å; S331-K335 PolarHBondContact O-N 2.98Å; S331-S411 WeakPolarHBondContact O-CB 3.36Å; S331-S411 PolarHBondContact O-OG 3.39Å
332T96.6Very high94.1Very high69 Ų6927.2 Ų27.242%0.42315%0.151SC..Hα-helixtrans-59.8-45.4174.1-63.30000112E329 K335 Q336E329-T332 PolarHBondContact O-N 3.08Å; E329-T332 VanDerWaalsContact O-N 3.08Å; E329-T332 VanDerWaalsContact OE2-CB 3.27Å; E329-T332 WeakPolarHBondContact OE2-CB 3.26Å; E329-T332 PolarHBondContact OE2-N 2.96Å; E329-T332 PolarHBondContact OE2-OG1 3.32Å; T332-K335 PolarHBondContact O-N 3.14Å; T332-Q336 WeakPolarHBondContact O-CG 3.34Å; T332-Q336 PolarHBondContact O-N 3.31Å
333V96.9Very high93.8Very high3 Ų328.3 Ų28.32%0.01816%0.157CC..Hα-helixtrans-63.7-41.9-179.9170.40000111.3L326 E329 A330 S331 K335 Q336 F337 L362 T392 L408L326-V333 HydrophobicContact CD1-CG1 3.84Å; L326-V333 HydrophobicContact CD2-CG1 4.39Å; L326-V333 HydrophobicContact CG-CG1 4.39Å; E329-V333 WeakPolarHBondContact O-CG2 3.42Å; E329-V333 PolarHBondContact O-N 2.96Å; A330-V333 PolarHBondContact O-N 2.83Å; S331-V333 PolarHBondContact O-N 2.95Å; V333-K335 VanDerWaalsContact C-N 3.34Å; V333-K335 PolarHBondContact O-N 3.22Å; V333-Q336 WeakPolarHBondContact O-CB 3.45Å; V333-Q336 PolarHBondContact O-N 3.44Å; V333-Q336 VanDerWaalsContact O-N 3.15Å; V333-F337 HydrophobicContact CG1-CD2 3.71Å; V333-F337 HydrophobicContact CG1-CE2 3.47Å; V333-F337 VanDerWaalsContact CG1-CE2 3.47Å; V333-F337 VanDerWaalsContact O-CD2 3.31Å; V333-F337 WeakPolarHBondContact O-CD2 3.24Å; V333-F337 PolarHBondContact O-N 3.3Å; V333-L362 HydrophobicContact CG1-CD2 4.14Å; V333-T392 HydrophobicContact CB-CG2 4.28Å; V333-T392 HydrophobicContact CG1-CG2 4.11Å; V333-T392 HydrophobicContact CG2-CG2 4.15Å; V333-L408 HydrophobicContact CG1-CD1 3.9Å; V333-L408 HydrophobicContact CG1-CG 4.24Å
334G97.9Very high93.7Very high0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-58.6-42.1176.400000113.2A330 S331 Q336 F337 S338 L408 F412A330-G334 PolarHBondContact O-N 3.34Å; S331-G334 PolarHBondContact O-N 3.19Å; G334-Q336 PolarHBondContact O-N 3.46Å; G334-F337 PolarHBondContact O-N 2.94Å; G334-S338 PolarHBondContact O-N 3.19Å; G334-L408 WeakPolarHBondContact CA-O 3.42Å; G334-F412 WeakPolarHBondContact O-CA 3.43Å
335K97.4Very high93.5Very high73 Ų7325.9 Ų25.932%0.31715%0.151SC..Hα-helixtrans-62.9-40.5174.7-65.7172.1178.4170.40112.3S331 T332 V333 S338 S339 S411 E414 E415S331-K335 WeakPolarHBondContact O-CG 3.42Å; S331-K335 PolarHBondContact O-N 2.98Å; T332-K335 PolarHBondContact O-N 3.14Å; V333-K335 VanDerWaalsContact C-N 3.34Å; V333-K335 PolarHBondContact O-N 3.22Å; K335-S338 PolarHBondContact O-N 2.91Å; K335-S339 WeakPolarHBondContact O-CB 3.35Å; K335-S339 PolarHBondContact O-N 2.91Å; K335-S339 VanDerWaalsContact O-N 3.07Å; K335-S339 PolarHBondContact O-OG 3.44Å; K335-S411 WeakPolarHBondContact CE-OG 2.91Å; K335-S411 WeakPolarHBondContact CG-OG 3.15Å; K335-E414 WeakPolarHBondContact CE-OE2 3.45Å; K335-E414 IonicContact NZ-OE2 3.5Å; K335-E414 PolarHBondContact NZ-OE2 3.33Å; K335-E415 HydrophobicContact CB-CB 4.27Å; K335-E415 HydrophobicContact CB-CG 4.27Å; K335-E415 HydrophobicContact CG-CB 4.09Å
336Q96.9Very high93.1Very high51 Ų5124 Ų2424%0.23814%0.14CC..Hα-helixtrans-63.8-41.2176.7-69.2175.6-23.500111.4T332 V333 G334 S339 L340 S361 L362T332-Q336 WeakPolarHBondContact O-CG 3.34Å; T332-Q336 PolarHBondContact O-N 3.31Å; V333-Q336 WeakPolarHBondContact O-CB 3.45Å; V333-Q336 PolarHBondContact O-N 3.44Å; V333-Q336 VanDerWaalsContact O-N 3.15Å; G334-Q336 PolarHBondContact O-N 3.46Å; Q336-S339 WeakPolarHBondContact O-CB 3.17Å; Q336-S339 PolarHBondContact O-N 2.83Å; Q336-L340 WeakPolarHBondContact O-CB 3.43Å; Q336-L340 PolarHBondContact O-N 3.36Å; Q336-S361 VanDerWaalsContact CD-OG 3.31Å; Q336-S361 PolarHBondContact NE2-OG 2.99Å; Q336-S361 PolarHBondContact OE1-OG 3.29Å; Q336-L362 HydrophobicContact CB-CD1 3.77Å; Q336-L362 HydrophobicContact CB-CG 4.28Å
337F97.6Very high91.9Very high1 Ų133.8 Ų33.80%0.00419%0.186CC..Hα-helixtrans-62.4-43.2176.4-85-66.3000113.2L326 V333 G334 S339 L340 L341 L362 W388 L408 F412 F439 V507L326-F337 HydrophobicContact CD1-CE2 4.06Å; L326-F337 HydrophobicContact CD1-CZ 4.06Å; L326-F337 HydrophobicContact CD2-CE2 3.93Å; L326-F337 HydrophobicContact CD2-CZ 4Å; V333-F337 HydrophobicContact CG1-CD2 3.71Å; V333-F337 HydrophobicContact CG1-CE2 3.47Å; V333-F337 VanDerWaalsContact CG1-CE2 3.47Å; V333-F337 VanDerWaalsContact O-CD2 3.31Å; V333-F337 WeakPolarHBondContact O-CD2 3.24Å; V333-F337 PolarHBondContact O-N 3.3Å; G334-F337 PolarHBondContact O-N 2.94Å; F337-S339 VanDerWaalsContact C-N 3.3Å; F337-S339 PolarHBondContact O-N 2.83Å; F337-L340 PolarHBondContact O-N 3.49Å; F337-L341 WeakPolarHBondContact O-CB 3.36Å; F337-L341 PolarHBondContact O-N 3.25Å; F337-L362 HydrophobicContact CD1-CD1 3.83Å; F337-L362 HydrophobicContact CD2-CD1 4.4Å; F337-L362 HydrophobicContact CD2-CD2 4.16Å; F337-L362 HydrophobicContact CE1-CD1 4.06Å; F337-L362 HydrophobicContact CE1-CD2 4.1Å; F337-L362 HydrophobicContact CE2-CD2 3.74Å; F337-L362 HydrophobicContact CG-CD1 4Å; F337-L362 HydrophobicContact CZ-CD1 4.47Å; F337-L362 HydrophobicContact CZ-CD2 3.7Å; F337-W388 HydrophobicContact CD1-CH2 4.45Å; F337-W388 HydrophobicContact CD1-CZ2 4.5Å; F337-W388 AromaticContact CE1-CD2 3.55Å; F337-W388 HydrophobicContact CE1-CD2 3.55Å; F337-W388 AromaticContact CE1-CE2 3.63Å; F337-W388 AromaticContact CE1-CE3 3.69Å; F337-W388 HydrophobicContact CE1-CE3 3.69Å; F337-W388 HydrophobicContact CE1-CG 4.08Å; F337-W388 HydrophobicContact CE1-CH2 4.01Å; F337-W388 AromaticContact CE1-CZ2 3.86Å; F337-W388 HydrophobicContact CE1-CZ2 3.86Å; F337-W388 AromaticContact CE1-CZ3 3.93Å; F337-W388 HydrophobicContact CE1-CZ3 3.93Å; F337-W388 HydrophobicContact CZ-CB 4.38Å; F337-W388 AromaticContact CZ-CD2 3.95Å; F337-W388 HydrophobicContact CZ-CD2 3.95Å; F337-W388 HydrophobicContact CZ-CE3 4.26Å; F337-W388 AromaticContact CZ-CG 4Å; F337-W388 HydrophobicContact CZ-CG 4Å; F337-L408 HydrophobicContact CD2-CD2 4.04Å; F337-L408 HydrophobicContact CE2-CD2 4.35Å; F337-F412 HydrophobicContact CB-CD2 3.74Å; F337-F412 HydrophobicContact CB-CE2 4.21Å; F337-F439 HydrophobicContact CB-CE2 3.76Å; F337-F439 HydrophobicContact CB-CZ 3.66Å; F337-F439 AromaticContact CD1-CE2 3.87Å; F337-F439 HydrophobicContact CD1-CE2 3.87Å; F337-F439 HydrophobicContact CD1-CZ 4.28Å; F337-F439 HydrophobicContact CD2-CE2 4.12Å; F337-F439 AromaticContact CD2-CZ 3.69Å; F337-F439 HydrophobicContact CD2-CZ 3.69Å; F337-F439 HydrophobicContact CE1-CE2 4.47Å; F337-F439 HydrophobicContact CE2-CZ 4.37Å; F337-F439 AromaticContact CG-CE2 3.67Å; F337-F439 HydrophobicContact CG-CE2 3.67Å; F337-F439 AromaticContact CG-CZ 3.63Å; F337-F439 HydrophobicContact CG-CZ 3.63Å; F337-V507 HydrophobicContact CE1-CG1 4.19Å; F337-V507 HydrophobicContact CE2-CG1 4.05Å; F337-V507 HydrophobicContact CE2-CG2 4.48Å; F337-V507 HydrophobicContact CZ-CB 4.29Å; F337-V507 HydrophobicContact CZ-CG1 3.82Å; F337-V507 HydrophobicContact CZ-CG2 4.5Å
338S95.6Very high90.6Very high3 Ų334.5 Ų34.52%0.02120%0.202CC..Hα-helixtrans-63.4-39.7176.6177.90000111.4G334 K335 L341 H342 F412 T416G334-S338 PolarHBondContact O-N 3.19Å; K335-S338 PolarHBondContact O-N 2.91Å; S338-L341 PolarHBondContact O-N 2.91Å; S338-H342 PolarHBondContact O-N 3.41Å; S338-H342 VanDerWaalsContact O-N 3.11Å; S338-F412 VanDerWaalsContact CA-CE2 3.41Å; S338-F412 VanDerWaalsContact N-CD2 3.32Å; S338-T416 WeakPolarHBondContact OG-CA 3.41Å; S338-T416 PolarHBondContact OG-N 2.83Å; S338-T416 PolarHBondContact OG-OG1 2.95Å
339S93.7Very high89.1Confident16 Ų1634.6 Ų34.611%0.11219%0.194CC..Hα-helixtrans-64.4-46.9174.5-59.70000112.2K335 Q336 F337 L341 H342 D343 Y359 R419K335-S339 WeakPolarHBondContact O-CB 3.35Å; K335-S339 PolarHBondContact O-N 2.91Å; K335-S339 VanDerWaalsContact O-N 3.07Å; K335-S339 PolarHBondContact O-OG 3.44Å; Q336-S339 WeakPolarHBondContact O-CB 3.17Å; Q336-S339 PolarHBondContact O-N 2.83Å; F337-S339 VanDerWaalsContact C-N 3.3Å; F337-S339 PolarHBondContact O-N 2.83Å; S339-L341 VanDerWaalsContact C-N 3.34Å; S339-L341 PolarHBondContact O-N 3.31Å; S339-H342 WeakPolarHBondContact O-CB 3.31Å; S339-H342 PolarHBondContact O-N 3.11Å; S339-D343 PolarHBondContact O-N 2.92Å; S339-Y359 WeakPolarHBondContact CB-OH 3.19Å; S339-Y359 PolarHBondContact O-OH 3.3Å; S339-R419 PolarHBondContact OG-NH2 3.05Å
340L94.2Very high87.6Confident1 Ų136.8 Ų36.81%0.00522%0.22CC..Hα-helixtrans-59.9-43.5177.2172.763.6000111.6Q336 F337 H342 D343 L344 L355 Y359 L362 L363 W388Q336-L340 WeakPolarHBondContact O-CB 3.43Å; Q336-L340 PolarHBondContact O-N 3.36Å; F337-L340 PolarHBondContact O-N 3.49Å; L340-H342 VanDerWaalsContact C-N 3.33Å; L340-H342 PolarHBondContact O-N 3.28Å; L340-D343 PolarHBondContact O-N 2.87Å; L340-L344 HydrophobicContact CD1-CD1 3.95Å; L340-L344 HydrophobicContact CD1-CD2 4.45Å; L340-L344 HydrophobicContact CD1-CG 3.89Å; L340-L344 HydrophobicContact CG-CD1 3.88Å; L340-L344 HydrophobicContact CG-CG 4.27Å; L340-L344 WeakPolarHBondContact O-CB 3.24Å; L340-L344 VanDerWaalsContact O-CG 3.25Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.62Å; L340-L355 HydrophobicContact CD1-CD2 4.15Å; L340-Y359 HydrophobicContact CB-CD1 4.25Å; L340-Y359 HydrophobicContact CB-CD2 4.15Å; L340-Y359 HydrophobicContact CB-CE1 4.2Å; L340-Y359 HydrophobicContact CB-CE2 4.07Å; L340-Y359 HydrophobicContact CB-CG 4.23Å; L340-Y359 HydrophobicContact CD1-CD2 3.54Å; L340-Y359 HydrophobicContact CD1-CE2 3.81Å; L340-Y359 HydrophobicContact CD1-CG 4.19Å; L340-Y359 HydrophobicContact CG-CD2 4.39Å; L340-Y359 PolarHBondContact N-OH 3.21Å; L340-L362 HydrophobicContact CB-CD1 4.27Å; L340-L362 HydrophobicContact CD2-CB 4.35Å; L340-L362 HydrophobicContact CD2-CD1 3.89Å; L340-L363 HydrophobicContact CD1-CD1 4.08Å; L340-L363 HydrophobicContact CD2-CD2 4.29Å; L340-W388 HydrophobicContact CD2-CH2 4.4Å; L340-W388 HydrophobicContact CD2-CZ2 3.82Å
341L93.6Very high87.1Confident8 Ų839.3 Ų39.34%0.04224%0.238CC..Hα-helixtrans-58.4-47.3175.917262.4000111.2F337 S338 S339 D343 L344 L345 F412 F437 L509 L511F337-L341 WeakPolarHBondContact O-CB 3.36Å; F337-L341 PolarHBondContact O-N 3.25Å; S338-L341 PolarHBondContact O-N 2.91Å; S339-L341 VanDerWaalsContact C-N 3.34Å; S339-L341 PolarHBondContact O-N 3.31Å; L341-D343 VanDerWaalsContact C-N 3.3Å; L341-D343 PolarHBondContact O-N 2.88Å; L341-L344 PolarHBondContact O-N 2.73Å; L341-L345 HydrophobicContact CD1-CD1 3.54Å; L341-L345 HydrophobicContact CD1-CG 3.87Å; L341-L345 HydrophobicContact CG-CD1 4.03Å; L341-L345 WeakPolarHBondContact O-CG 2.98Å; L341-L345 PolarHBondContact O-N 2.82Å; L341-L345 VanDerWaalsContact O-N 3.09Å; L341-F412 HydrophobicContact CD2-CE2 4.29Å; L341-F412 HydrophobicContact CD2-CZ 3.7Å; L341-F437 HydrophobicContact CD2-CD1 4.08Å; L341-F437 HydrophobicContact CD2-CD2 3.83Å; L341-F437 HydrophobicContact CD2-CE1 3.99Å; L341-F437 HydrophobicContact CD2-CE2 3.75Å; L341-F437 HydrophobicContact CD2-CG 4.01Å; L341-F437 HydrophobicContact CD2-CZ 3.83Å; L341-L509 HydrophobicContact CB-CD2 4.36Å; L341-L509 HydrophobicContact CD1-CD1 4.18Å; L341-L509 HydrophobicContact CD1-CD2 4.03Å; L341-L509 HydrophobicContact CD2-CD1 4.22Å; L341-L511 HydrophobicContact CD1-CD2 3.6Å
342H90.1Very high86.8Confident30 Ų3039.9 Ų39.914%0.13924%0.239CC..Hα-helixtrans-59.4-44177.8177.4-96.3000111.5S338 S339 L340 L345 S346 R419 E424S338-H342 PolarHBondContact O-N 3.41Å; S338-H342 VanDerWaalsContact O-N 3.11Å; S339-H342 WeakPolarHBondContact O-CB 3.31Å; S339-H342 PolarHBondContact O-N 3.11Å; L340-H342 VanDerWaalsContact C-N 3.33Å; L340-H342 PolarHBondContact O-N 3.28Å; H342-L345 PolarHBondContact O-N 3.08Å; H342-S346 PolarHBondContact CE1-OG 3.23Å; H342-S346 WeakPolarHBondContact O-CB 3.41Å; H342-S346 PolarHBondContact O-N 2.86Å; H342-S346 PolarHBondContact O-OG 2.98Å; H342-R419 PolarHBondContact ND1-NH1 2.79Å; H342-R419 VanDerWaalsContact ND1-NH1 3.11Å; H342-E424 PolarHBondContact CD2-O 2.99Å; H342-E424 VanDerWaalsContact CD2-O 3.3Å; H342-E424 PolarHBondContact NE2-O 2.96Å
343D90Very high86.4Confident24 Ų2440.6 Ų40.613%0.12825%0.247CC..Hα-helixtrans-66.4-41.4179.5-83.418.8000112.2S339 L340 L341 L345 S346 I349 L355 Y359S339-D343 PolarHBondContact O-N 2.92Å; L340-D343 PolarHBondContact O-N 2.87Å; L341-D343 VanDerWaalsContact C-N 3.3Å; L341-D343 PolarHBondContact O-N 2.88Å; D343-L345 VanDerWaalsContact C-N 3.32Å; D343-L345 PolarHBondContact O-N 2.87Å; D343-S346 PolarHBondContact O-N 2.91Å; D343-I349 HydrophobicContact CB-CD1 3.44Å; D343-I349 VanDerWaalsContact CB-CD1 3.44Å; D343-L355 HydrophobicContact CB-CD2 4.09Å; D343-Y359 HydrophobicContact CB-CE2 4.18Å; D343-Y359 PolarHBondContact OD2-OH 3.3Å
344L90.1Very high86Confident14 Ų1444.1 Ų44.17%0.07327%0.265CS..Hα-helixtrans-64.7-32.7177.3-75.8173.5000113.4L340 L341 L355 V374 L375 L378 L386L340-L344 HydrophobicContact CD1-CD1 3.95Å; L340-L344 HydrophobicContact CD1-CD2 4.45Å; L340-L344 HydrophobicContact CD1-CG 3.89Å; L340-L344 HydrophobicContact CG-CD1 3.88Å; L340-L344 HydrophobicContact CG-CG 4.27Å; L340-L344 WeakPolarHBondContact O-CB 3.24Å; L340-L344 VanDerWaalsContact O-CG 3.25Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.62Å; L341-L344 PolarHBondContact O-N 2.73Å; L344-L355 HydrophobicContact CD2-CD1 4.08Å; L344-V374 HydrophobicContact CD2-CG1 4.38Å; L344-L375 HydrophobicContact CD2-CD2 3.97Å; L344-L378 HydrophobicContact CB-CD1 3.94Å; L344-L378 HydrophobicContact CD2-CD1 4.29Å; L344-L386 HydrophobicContact CD1-CD1 3.9Å
345L86.9Confident85.7Confident28 Ų2844.2 Ų44.215%0.14727%0.266CS..Hα-helixtrans-89.9-18.6-179.4-63.6178.6000113L341 H342 D343 E347 L426 W429 L511L341-L345 HydrophobicContact CD1-CD1 3.54Å; L341-L345 HydrophobicContact CD1-CG 3.87Å; L341-L345 HydrophobicContact CG-CD1 4.03Å; L341-L345 WeakPolarHBondContact O-CG 2.98Å; L341-L345 PolarHBondContact O-N 2.82Å; L341-L345 VanDerWaalsContact O-N 3.09Å; H342-L345 PolarHBondContact O-N 3.08Å; D343-L345 VanDerWaalsContact C-N 3.32Å; D343-L345 PolarHBondContact O-N 2.87Å; L345-E347 PolarHBondContact O-N 2.93Å; L345-L426 HydrophobicContact CB-CD1 3.49Å; L345-L426 VanDerWaalsContact CB-CD1 3.49Å; L345-L426 VanDerWaalsContact O-CD1 3.29Å; L345-L426 WeakPolarHBondContact O-CD1 3.31Å; L345-W429 HydrophobicContact CD1-CD2 3.71Å; L345-W429 HydrophobicContact CD1-CE3 4.24Å; L345-W429 HydrophobicContact CD1-CG 3.8Å; L345-W429 HydrophobicContact CD1-CZ2 4.46Å; L345-W429 HydrophobicContact CD2-CD2 4.37Å; L345-W429 HydrophobicContact CD2-CH2 4.07Å; L345-W429 HydrophobicContact CD2-CZ2 3.59Å; L345-L511 HydrophobicContact CD2-CD1 4.34Å
346S82Confident85.4Confident26 Ų2643.4 Ų43.418%0.18226%0.261CS..SBendtrans-71.2127178.7-67.30000110.6H342 D343 G348 I349H342-S346 PolarHBondContact CE1-OG 3.23Å; H342-S346 WeakPolarHBondContact O-CB 3.41Å; H342-S346 PolarHBondContact O-N 2.86Å; H342-S346 PolarHBondContact O-OG 2.98Å; D343-S346 PolarHBondContact O-N 2.91Å; S346-G348 PolarHBondContact O-N 2.92Å; S346-I349 PolarHBondContact O-N 2.62Å
347E66.6Low85.1Confident212 Ų21248.4 Ų48.499%0.99128%0.284SS*.THydrogen-bonded Turntrans-58.1-12-178.7-62.7-17215900114.2L345L345-E347 PolarHBondContact O-N 2.93Å
348G61.9Low84.8Confident71 Ų7150.9 Ų50.973%0.73230%0.301SS*.THydrogen-bonded Turntrans-93.9-6.9-175.200000117S346S346-G348 PolarHBondContact O-N 2.92Å
349I59.7Low84.8Confident35 Ų3551.4 Ų51.418%0.17930%0.303CS..  trans-109.887.3-174.2-62.6165.6000110.3D343 S346 L355D343-I349 HydrophobicContact CB-CD1 3.44Å; D343-I349 VanDerWaalsContact CB-CD1 3.44Å; S346-I349 PolarHBondContact O-N 2.62Å; I349-L355 HydrophobicContact CG2-CD1 4.35Å; I349-L355 HydrophobicContact CG2-CD2 3.72Å; I349-L355 HydrophobicContact CG2-CG 3.81Å
350A61.1Low84.7Confident92 Ų9254.5 Ų54.576%0.7632%0.323SS*.  trans-1056.417700000113.4
351S84.1Confident84.5Confident52 Ų5256.5 Ų56.536%0.36434%0.337SS..  trans-103.8111.6-179.8-168.90000112.5S353 L354 L355S351-S353 PolarHBondContact O-N 3.23Å; S351-S353 PolarHBondContact OG-N 3.3Å; S351-S353 PolarHBondContact OG-OG 3.05Å; S351-L354 PolarHBondContact O-N 3.19Å; S351-L354 VanDerWaalsContact O-N 3.13Å; S351-L355 PolarHBondContact O-N 3.29Å
352I89.1Confident84.5Confident29 Ų2956.1 Ų56.115%0.14934%0.335CS..Hα-helixtrans-53.8-36.8171-66.4167.4000111.2L354 R356 N368 L371 R372 L375I352-L354 PolarHBondContact O-N 2.94Å; I352-R356 PolarHBondContact O-N 3.02Å; I352-N368 HydrophobicContact CG2-CB 4.26Å; I352-N368 VanDerWaalsContact CG2-OD1 3.26Å; I352-N368 WeakPolarHBondContact CG2-OD1 3.35Å; I352-L371 HydrophobicContact CG1-CB 4.29Å; I352-L371 HydrophobicContact CG2-CB 4.23Å; I352-L371 HydrophobicContact CG2-CD1 3.91Å; I352-R372 HydrophobicContact CD1-CB 3.88Å; I352-R372 HydrophobicContact CD1-CG 4.48Å; I352-L375 HydrophobicContact CG1-CD1 4.07Å
353S88.7Confident84.8Confident83 Ų8354.8 Ų54.858%0.5833%0.329SS*.Hα-helixtrans-65.6-39.1-179.764.20000112.3S351 Q357S351-S353 PolarHBondContact O-N 3.23Å; S351-S353 PolarHBondContact OG-N 3.3Å; S351-S353 PolarHBondContact OG-OG 3.05Å; S353-Q357 WeakPolarHBondContact O-CB 3.16Å; S353-Q357 PolarHBondContact O-N 3.48Å
354L89.5Confident84.7Confident78 Ų7856.1 Ų56.141%0.40835%0.349SS..Hα-helixtrans-69.2-45.6180-174.865.6000110.8S351 I352 R356 Q357 S358S351-L354 PolarHBondContact O-N 3.19Å; S351-L354 VanDerWaalsContact O-N 3.13Å; I352-L354 PolarHBondContact O-N 2.94Å; L354-R356 VanDerWaalsContact C-N 3.29Å; L354-R356 PolarHBondContact O-N 2.78Å; L354-Q357 PolarHBondContact O-N 3.3Å; L354-Q357 VanDerWaalsContact O-N 3.15Å; L354-S358 WeakPolarHBondContact O-CB 3.4Å; L354-S358 PolarHBondContact O-N 3Å; L354-S358 PolarHBondContact O-OG 2.93Å; L354-S358 VanDerWaalsContact O-OG 3.14Å
355L91.7Very high84.7Confident1 Ų158.2 Ų58.21%0.00536%0.36CS..Hα-helixtrans-56.2-44.4177.3-73.9172.6000111.6L340 D343 L344 I349 S351 S358 Y359 L363 L375L340-L355 HydrophobicContact CD1-CD2 4.15Å; D343-L355 HydrophobicContact CB-CD2 4.09Å; L344-L355 HydrophobicContact CD2-CD1 4.08Å; I349-L355 HydrophobicContact CG2-CD1 4.35Å; I349-L355 HydrophobicContact CG2-CD2 3.72Å; I349-L355 HydrophobicContact CG2-CG 3.81Å; S351-L355 PolarHBondContact O-N 3.29Å; L355-S358 PolarHBondContact O-N 3.25Å; L355-Y359 HydrophobicContact CD2-CD2 4.34Å; L355-Y359 HydrophobicContact CD2-CE2 4.14Å; L355-Y359 VanDerWaalsContact O-CD2 3.25Å; L355-Y359 WeakPolarHBondContact O-CD2 3.41Å; L355-Y359 PolarHBondContact O-N 3.31Å; L355-L363 HydrophobicContact CB-CD1 4.01Å; L355-L375 HydrophobicContact CD1-CD1 4.32Å; L355-L375 HydrophobicContact CD1-CD2 4.17Å
356R89.9Confident85Confident57 Ų5757.3 Ų57.322%0.21536%0.355CS..Hα-helixtrans-65.5-41.7177-75.3-173.1179.3-88.64.3113.5I352 L354 S358 Y359 L363 C366 S367 N368 L371I352-R356 PolarHBondContact O-N 3.02Å; L354-R356 VanDerWaalsContact C-N 3.29Å; L354-R356 PolarHBondContact O-N 2.78Å; R356-S358 VanDerWaalsContact C-N 3.3Å; R356-Y359 CarbonylContact O-C 3.56Å; R356-Y359 PolarHBondContact O-N 3.19Å; R356-L363 PolarHBondContact NH1-O 3.44Å; R356-C366 PolarHBondContact NH1-O 3.27Å; R356-C366 PolarHBondContact NH2-O 2.72Å; R356-S367 PolarHBondContact NH2-O 2.67Å; R356-N368 VanDerWaalsContact CZ-OD1 3.27Å; R356-N368 PolarHBondContact NE-OD1 3.48Å; R356-N368 PolarHBondContact NH2-OD1 3.18Å; R356-L371 HydrophobicContact CG-CD1 3.96Å
357Q91.1Very high85.6Confident155 Ų15558.2 Ų58.272%0.72436%0.362SS*.Hα-helixtrans-65.4-38179.5-173.41787.300111.3S353 L354S353-Q357 WeakPolarHBondContact O-CB 3.16Å; S353-Q357 PolarHBondContact O-N 3.48Å; L354-Q357 PolarHBondContact O-N 3.3Å; L354-Q357 VanDerWaalsContact O-N 3.15Å
358S91.8Very high86.8Confident53 Ų5351.3 Ų51.337%0.37133%0.332SS..Hα-helixtrans-74.2-34.5178.5-63.80000113.1L354 L355 R356 P360L354-S358 WeakPolarHBondContact O-CB 3.4Å; L354-S358 PolarHBondContact O-N 3Å; L354-S358 PolarHBondContact O-OG 2.93Å; L354-S358 VanDerWaalsContact O-OG 3.14Å; L355-S358 PolarHBondContact O-N 3.25Å; R356-S358 VanDerWaalsContact C-N 3.3Å; S358-P360 WeakPolarHBondContact O-CD 3.24Å
359Y94.2Very high88.4Confident14 Ų1453.1 Ų53.16%0.05532%0.321CS..  trans-127.254.1-172.2-50.5-65.7000113.6S339 L340 D343 L355 R356 S361 L362 L363S339-Y359 WeakPolarHBondContact CB-OH 3.19Å; S339-Y359 PolarHBondContact O-OH 3.3Å; L340-Y359 HydrophobicContact CB-CD1 4.25Å; L340-Y359 HydrophobicContact CB-CD2 4.15Å; L340-Y359 HydrophobicContact CB-CE1 4.2Å; L340-Y359 HydrophobicContact CB-CE2 4.07Å; L340-Y359 HydrophobicContact CB-CG 4.23Å; L340-Y359 HydrophobicContact CD1-CD2 3.54Å; L340-Y359 HydrophobicContact CD1-CE2 3.81Å; L340-Y359 HydrophobicContact CD1-CG 4.19Å; L340-Y359 HydrophobicContact CG-CD2 4.39Å; L340-Y359 PolarHBondContact N-OH 3.21Å; D343-Y359 HydrophobicContact CB-CE2 4.18Å; D343-Y359 PolarHBondContact OD2-OH 3.3Å; L355-Y359 HydrophobicContact CD2-CD2 4.34Å; L355-Y359 HydrophobicContact CD2-CE2 4.14Å; L355-Y359 VanDerWaalsContact O-CD2 3.25Å; L355-Y359 WeakPolarHBondContact O-CD2 3.41Å; L355-Y359 PolarHBondContact O-N 3.31Å; R356-Y359 CarbonylContact O-C 3.56Å; R356-Y359 PolarHBondContact O-N 3.19Å; Y359-S361 PolarHBondContact O-N 3.29Å; Y359-L362 PolarHBondContact O-N 3.39Å; Y359-L362 VanDerWaalsContact O-N 3.09Å; Y359-L363 PolarHBondContact O-N 2.89Å
360P91.9Very high90.1Very high81 Ų8153.1 Ų53.153%0.52632%0.323SS..Hα-helixtrans-62.7-31.3-175.926.3-35.1000112.7S358 G364S358-P360 WeakPolarHBondContact O-CD 3.24Å; P360-G364 WeakPolarHBondContact O-CA 3.31Å; P360-G364 PolarHBondContact O-N 3.08Å
361S89.4Confident91.7Very high43 Ų4348.9 Ų48.930%0.30129%0.288SS..Hα-helixtrans-69.9-28176.446.60000113.9Q336 Y359Q336-S361 VanDerWaalsContact CD-OG 3.31Å; Q336-S361 PolarHBondContact NE2-OG 2.99Å; Q336-S361 PolarHBondContact OE1-OG 3.29Å; Y359-S361 PolarHBondContact O-N 3.29Å
362L95.6Very high92.2Very high1 Ų151.6 Ų51.61%0.00529%0.29CS..Hα-helixtrans-99.8-27.7-176.6-54.9-173.7000112.7L326 V333 Q336 F337 L340 Y359 W388L326-L362 HydrophobicContact CD1-CD2 3.45Å; L326-L362 VanDerWaalsContact CD1-CD2 3.45Å; V333-L362 HydrophobicContact CG1-CD2 4.14Å; Q336-L362 HydrophobicContact CB-CD1 3.77Å; Q336-L362 HydrophobicContact CB-CG 4.28Å; F337-L362 HydrophobicContact CD1-CD1 3.83Å; F337-L362 HydrophobicContact CD2-CD1 4.4Å; F337-L362 HydrophobicContact CD2-CD2 4.16Å; F337-L362 HydrophobicContact CE1-CD1 4.06Å; F337-L362 HydrophobicContact CE1-CD2 4.1Å; F337-L362 HydrophobicContact CE2-CD2 3.74Å; F337-L362 HydrophobicContact CG-CD1 4Å; F337-L362 HydrophobicContact CZ-CD1 4.47Å; F337-L362 HydrophobicContact CZ-CD2 3.7Å; L340-L362 HydrophobicContact CB-CD1 4.27Å; L340-L362 HydrophobicContact CD2-CB 4.35Å; L340-L362 HydrophobicContact CD2-CD1 3.89Å; Y359-L362 PolarHBondContact O-N 3.39Å; Y359-L362 VanDerWaalsContact O-N 3.09Å; L362-W388 VanDerWaalsContact O-CD1 3.27Å; L362-W388 PolarHBondContact O-NE1 3.15Å
363L94.9Very high92.4Very high1 Ų153.4 Ų53.41%0.00530%0.3CS..Hα-helixtrans-121.37.5-172.3-57.6-178000112.9L322 L340 L355 R356 Y359 D365 C366 L371L322-L363 HydrophobicContact CB-CD2 4.29Å; L322-L363 HydrophobicContact CD1-CD2 4.31Å; L340-L363 HydrophobicContact CD1-CD1 4.08Å; L340-L363 HydrophobicContact CD2-CD2 4.29Å; L355-L363 HydrophobicContact CB-CD1 4.01Å; R356-L363 PolarHBondContact NH1-O 3.44Å; Y359-L363 PolarHBondContact O-N 2.89Å; L363-D365 VanDerWaalsContact C-N 3.29Å; L363-D365 PolarHBondContact O-N 2.54Å; L363-C366 HydrophobicContact CB-CB 4.38Å; L363-C366 WeakPolarHBondContact O-CB 3.31Å; L363-C366 PolarHBondContact O-N 3.22Å; L363-L371 HydrophobicContact CD1-CD1 4.33Å; L363-L371 HydrophobicContact CD1-CD2 4.11Å; L363-L371 HydrophobicContact CD2-CD2 3.99Å
364G89Confident92.7Very high53 Ų5349.4 Ų49.455%0.54627%0.272SS..THydrogen-bonded Turntrans-58.9-37.3-173.800000113.8P360P360-G364 WeakPolarHBondContact O-CA 3.31Å; P360-G364 PolarHBondContact O-N 3.08Å
365D89.1Confident92.9Very high57 Ų5747.3 Ų47.331%0.30526%0.261SS..THydrogen-bonded Turntrans-105.73.9179.768.1-37.1000113.6G323 R324 L363G323-D365 WeakPolarHBondContact CA-OD1 2.95Å; G323-D365 WeakPolarHBondContact CA-OD2 3.02Å; R324-D365 WeakPolarHBondContact CB-OD2 3.42Å; R324-D365 PolarHBondContact N-OD2 2.73Å; L363-D365 VanDerWaalsContact C-N 3.29Å; L363-D365 PolarHBondContact O-N 2.54Å
366C93.5Very high92.9Very high9 Ų952.7 Ų52.76%0.06129%0.286CS..  trans-67.1152.8169.4-160.40000110L322 R356 L363 L371L322-C366 VanDerWaalsContact CD2-SG 3.6Å; L322-C366 WeakPolarHBondContact O-CA 3.44Å; L322-C366 WeakPolarHBondContact O-CB 3.25Å; L322-C366 PolarHBondContact O-N 3.13Å; R356-C366 PolarHBondContact NH1-O 3.27Å; R356-C366 PolarHBondContact NH2-O 2.72Å; L363-C366 HydrophobicContact CB-CB 4.38Å; L363-C366 WeakPolarHBondContact O-CB 3.31Å; L363-C366 PolarHBondContact O-N 3.22Å; C366-L371 HydrophobicContact CB-CD1 4.5Å; C366-L371 HydrophobicContact CB-CG 4.35Å
367S94Very high93.1Very high45 Ų4550.4 Ų50.432%0.31528%0.278SS..  trans-91155.6169.780.60000111.6R356 E369 T370 L371R356-S367 PolarHBondContact NH2-O 2.67Å; S367-E369 PolarHBondContact O-N 2.68Å; S367-T370 PolarHBondContact O-N 2.93Å; S367-T370 WeakPolarHBondContact OG-CB 3.43Å; S367-T370 PolarHBondContact OG-N 3.09Å; S367-T370 PolarHBondContact OG-OG1 2.96Å; S367-L371 PolarHBondContact O-N 3.44Å; S367-L371 VanDerWaalsContact O-N 3.11Å
368N93.6Very high93.1Very high67 Ų6744.3 Ų44.336%0.35825%0.251SS..Hα-helixtrans-66.5-32.6177.3-78.1-15.5000111.1I352 R356 L371 R372I352-N368 HydrophobicContact CG2-CB 4.26Å; I352-N368 VanDerWaalsContact CG2-OD1 3.26Å; I352-N368 WeakPolarHBondContact CG2-OD1 3.35Å; R356-N368 VanDerWaalsContact CZ-OD1 3.27Å; R356-N368 PolarHBondContact NE-OD1 3.48Å; R356-N368 PolarHBondContact NH2-OD1 3.18Å; N368-L371 PolarHBondContact O-N 3.24Å; N368-R372 WeakPolarHBondContact O-CB 3.49Å; N368-R372 PolarHBondContact O-N 3.43Å
369E94.9Very high93Very high110 Ų11050.7 Ų50.751%0.51427%0.272SS..Hα-helixtrans-63.5-49.8176.6-64.860.7-129.700109.9S367 L371 R372 D373S367-E369 PolarHBondContact O-N 2.68Å; E369-L371 PolarHBondContact O-N 3.09Å; E369-R372 WeakPolarHBondContact O-CB 3.45Å; E369-R372 PolarHBondContact O-N 3.32Å; E369-R372 VanDerWaalsContact O-N 3.15Å; E369-D373 PolarHBondContact O-N 2.66Å
370T95.6Very high92.9Very high35 Ų3552.8 Ų52.822%0.21529%0.292CS..Hα-helixtrans-60.1-43.9176.2-55.10000111.9F320 L322 S367 R372 D373 V374F320-T370 HydrophobicContact CB-CG2 4.07Å; F320-T370 HydrophobicContact CD1-CG2 4.12Å; F320-T370 HydrophobicContact CG-CG2 4.49Å; L322-T370 HydrophobicContact CD2-CG2 3.64Å; S367-T370 PolarHBondContact O-N 2.93Å; S367-T370 WeakPolarHBondContact OG-CB 3.43Å; S367-T370 PolarHBondContact OG-N 3.09Å; S367-T370 PolarHBondContact OG-OG1 2.96Å; T370-R372 VanDerWaalsContact C-N 3.32Å; T370-R372 PolarHBondContact O-N 3.24Å; T370-D373 PolarHBondContact O-N 3.4Å; T370-V374 WeakPolarHBondContact O-CG2 3.45Å; T370-V374 PolarHBondContact O-N 3.48Å
371L94Very high92.9Very high3 Ų356.3 Ų56.32%0.01630%0.299CS..Hα-helixtrans-63.1-38.5176.4-75.6175.7000112.5I352 R356 L363 C366 S367 N368 E369 V374 L375I352-L371 HydrophobicContact CG1-CB 4.29Å; I352-L371 HydrophobicContact CG2-CB 4.23Å; I352-L371 HydrophobicContact CG2-CD1 3.91Å; R356-L371 HydrophobicContact CG-CD1 3.96Å; L363-L371 HydrophobicContact CD1-CD1 4.33Å; L363-L371 HydrophobicContact CD1-CD2 4.11Å; L363-L371 HydrophobicContact CD2-CD2 3.99Å; C366-L371 HydrophobicContact CB-CD1 4.5Å; C366-L371 HydrophobicContact CB-CG 4.35Å; S367-L371 PolarHBondContact O-N 3.44Å; S367-L371 VanDerWaalsContact O-N 3.11Å; N368-L371 PolarHBondContact O-N 3.24Å; E369-L371 PolarHBondContact O-N 3.09Å; L371-V374 PolarHBondContact O-N 3.16Å; L371-L375 WeakPolarHBondContact O-CG 3.26Å; L371-L375 PolarHBondContact O-N 3.27Å
372R94Very high93.1Very high108 Ų10861 Ų6141%0.40831%0.31SS..Hα-helixtrans-61.4-46.8174.9-169.5-180-65.9101-1111.1I352 N368 E369 T370 V374 L375 E376I352-R372 HydrophobicContact CD1-CB 3.88Å; I352-R372 HydrophobicContact CD1-CG 4.48Å; N368-R372 WeakPolarHBondContact O-CB 3.49Å; N368-R372 PolarHBondContact O-N 3.43Å; E369-R372 WeakPolarHBondContact O-CB 3.45Å; E369-R372 PolarHBondContact O-N 3.32Å; E369-R372 VanDerWaalsContact O-N 3.15Å; T370-R372 VanDerWaalsContact C-N 3.32Å; T370-R372 PolarHBondContact O-N 3.24Å; R372-V374 VanDerWaalsContact C-N 3.29Å; R372-V374 PolarHBondContact O-N 2.81Å; R372-L375 PolarHBondContact O-N 3.32Å; R372-L375 VanDerWaalsContact O-N 3.17Å; R372-E376 WeakPolarHBondContact O-CG 2.95Å; R372-E376 PolarHBondContact O-N 3.09Å
373D95Very high93.1Very high67 Ų6763.2 Ų63.236%0.35833%0.326SS..Hα-helixtrans-62.4-36.3179.3-66.3-16.5000112.3F320 E369 T370 T377F320-D373 HydrophobicContact CD1-CB 4.32Å; F320-D373 HydrophobicContact CE1-CB 3.46Å; F320-D373 VanDerWaalsContact CE1-CB 3.46Å; F320-D373 HydrophobicContact CZ-CB 3.89Å; E369-D373 PolarHBondContact O-N 2.66Å; T370-D373 PolarHBondContact O-N 3.4Å; D373-T377 VanDerWaalsContact O-CB 3.24Å; D373-T377 WeakPolarHBondContact O-CB 3.27Å; D373-T377 PolarHBondContact O-N 2.9Å; D373-T377 PolarHBondContact O-OG1 2.87Å
374V94.5Very high93.2Very high0 Ų063.1 Ų63.10%033%0.325CS..Hα-helixtrans-60.5-54.8171.9170.80000109.9F320 L322 L344 T370 L371 R372 E376 T377 L378 L386F320-V374 HydrophobicContact CB-CG2 3.9Å; F320-V374 HydrophobicContact CD1-CG2 4.24Å; F320-V374 HydrophobicContact CD2-CG2 3.6Å; F320-V374 HydrophobicContact CE2-CG2 4.14Å; F320-V374 HydrophobicContact CG-CG2 3.64Å; L322-V374 HydrophobicContact CD1-CG2 4.47Å; L322-V374 HydrophobicContact CD2-CG2 3.83Å; L344-V374 HydrophobicContact CD2-CG1 4.38Å; T370-V374 WeakPolarHBondContact O-CG2 3.45Å; T370-V374 PolarHBondContact O-N 3.48Å; L371-V374 PolarHBondContact O-N 3.16Å; R372-V374 VanDerWaalsContact C-N 3.29Å; R372-V374 PolarHBondContact O-N 2.81Å; V374-E376 VanDerWaalsContact C-N 3.31Å; V374-E376 PolarHBondContact O-N 3.3Å; V374-T377 WeakPolarHBondContact O-CB 3.35Å; V374-T377 PolarHBondContact O-N 3.4Å; V374-T377 VanDerWaalsContact O-N 3.08Å; V374-L378 HydrophobicContact CG1-CD1 3.9Å; V374-L378 HydrophobicContact CG1-CG 4.22Å; V374-L378 VanDerWaalsContact O-CG 3.31Å; V374-L378 WeakPolarHBondContact O-CG 3.28Å; V374-L378 PolarHBondContact O-N 3.14Å; V374-L386 HydrophobicContact CG1-CD1 4.29Å; V374-L386 HydrophobicContact CG1-CD2 4Å; V374-L386 HydrophobicContact CG2-CD2 3.72Å
375L92.9Very high93.7Very high33 Ų3360.6 Ų60.617%0.17330%0.299CS..Hα-helixtrans-59.5-41-177.7-67173.7000112.1L344 I352 L355 L371 R372 L378 K379L344-L375 HydrophobicContact CD2-CD2 3.97Å; I352-L375 HydrophobicContact CG1-CD1 4.07Å; L355-L375 HydrophobicContact CD1-CD1 4.32Å; L355-L375 HydrophobicContact CD1-CD2 4.17Å; L371-L375 WeakPolarHBondContact O-CG 3.26Å; L371-L375 PolarHBondContact O-N 3.27Å; R372-L375 PolarHBondContact O-N 3.32Å; R372-L375 VanDerWaalsContact O-N 3.17Å; L375-L378 PolarHBondContact O-N 3.21Å; L375-K379 WeakPolarHBondContact O-CB 3.4Å; L375-K379 PolarHBondContact O-N 3.1Å
376E92.6Very high94.1Very high114 Ų11457.9 Ų57.953%0.53329%0.285SS..Hα-helixtrans-64.4-40.6175.1-72.3179.9-173.800112.3R372 V374 K379 A380R372-E376 WeakPolarHBondContact O-CG 2.95Å; R372-E376 PolarHBondContact O-N 3.09Å; V374-E376 VanDerWaalsContact C-N 3.31Å; V374-E376 PolarHBondContact O-N 3.3Å; E376-K379 PolarHBondContact O-N 3.16Å; E376-A380 WeakPolarHBondContact O-CB 3.35Å; E376-A380 PolarHBondContact O-N 2.95Å
377T93.9Very high94.4Very high9 Ų957.6 Ų57.66%0.05528%0.282CS..Hα-helixtrans-64.4-44177.1-630000111.7R318 F320 D373 V374 A380 K381 R382 T384R318-T377 HydrophobicContact CB-CG2 3.49Å; R318-T377 VanDerWaalsContact CB-CG2 3.49Å; R318-T377 HydrophobicContact CG-CG2 3.75Å; F320-T377 HydrophobicContact CE2-CG2 4.3Å; F320-T377 WeakPolarHBondContact CZ-OG1 3.31Å; D373-T377 VanDerWaalsContact O-CB 3.24Å; D373-T377 WeakPolarHBondContact O-CB 3.27Å; D373-T377 PolarHBondContact O-N 2.9Å; D373-T377 PolarHBondContact O-OG1 2.87Å; V374-T377 WeakPolarHBondContact O-CB 3.35Å; V374-T377 PolarHBondContact O-N 3.4Å; V374-T377 VanDerWaalsContact O-N 3.08Å; T377-A380 PolarHBondContact O-N 3.34Å; T377-K381 PolarHBondContact O-N 3.04Å; T377-R382 HydrophobicContact CG2-CB 3.88Å; T377-R382 PolarHBondContact O-N 2.94Å; T377-T384 HydrophobicContact CG2-CG2 4.39Å; T377-T384 WeakPolarHBondContact CG2-OG1 3.34Å
378L91.4Very high94.6Very high28 Ų2855.5 Ų55.515%0.14727%0.268CS..Hα-helixtrans-64.5-45.1177.5-64.5-179.2000111.1L344 V374 L375 A380 K381 T384 L511L344-L378 HydrophobicContact CB-CD1 3.94Å; L344-L378 HydrophobicContact CD2-CD1 4.29Å; V374-L378 HydrophobicContact CG1-CD1 3.9Å; V374-L378 HydrophobicContact CG1-CG 4.22Å; V374-L378 VanDerWaalsContact O-CG 3.31Å; V374-L378 WeakPolarHBondContact O-CG 3.28Å; V374-L378 PolarHBondContact O-N 3.14Å; L375-L378 PolarHBondContact O-N 3.21Å; L378-A380 PolarHBondContact O-N 3.11Å; L378-K381 PolarHBondContact O-N 3.48Å; L378-T384 HydrophobicContact CD2-CG2 4.2Å; L378-L511 HydrophobicContact CD2-CD1 3.38Å
379K90Very high94.7Very high186 Ų18652.3 Ų52.381%0.80925%0.251SS*.Hα-helixtrans-58.9-35.5174.7-174.8177.8-179.71790112.3L375 E376 K381L375-K379 WeakPolarHBondContact O-CB 3.4Å; L375-K379 PolarHBondContact O-N 3.1Å; E376-K379 PolarHBondContact O-N 3.16Å; K379-K381 PolarHBondContact O-N 3.4Å
380A91.9Very high94.5Very high58 Ų5847.1 Ų47.148%0.47923%0.227SC..THydrogen-bonded Turntrans-77.53.6176.200000114.1E376 T377 L378 R382E376-A380 WeakPolarHBondContact O-CB 3.35Å; E376-A380 PolarHBondContact O-N 2.95Å; T377-A380 PolarHBondContact O-N 3.34Å; L378-A380 PolarHBondContact O-N 3.11Å; A380-R382 VanDerWaalsContact C-N 3.28Å; A380-R382 HydrophobicContact CB-CG 4.2Å; A380-R382 PolarHBondContact O-N 3.36Å
381K91Very high94.2Very high155 Ų15545.9 Ų45.967%0.67422%0.219SC*.THydrogen-bonded Turntrans50.446.7-179-59.4-169178.1-164.80112.5T377 L378 K379 P513T377-K381 PolarHBondContact O-N 3.04Å; L378-K381 PolarHBondContact O-N 3.48Å; K379-K381 PolarHBondContact O-N 3.4Å; K381-P513 HydrophobicContact CB-CB 4.09Å; K381-P513 HydrophobicContact CB-CG 4.3Å; K381-P513 VanDerWaalsContact O-CG 3.24Å; K381-P513 WeakPolarHBondContact O-CG 3.32Å
382R94.1Very high94.1Very high141 Ų14145.8 Ų45.853%0.53222%0.218SC..  trans-98.1143.7175-67.7-175.5173.2-178.3-2.7111R318 T377 A380 T384R318-R382 HydrophobicContact CG-CB 4.37Å; T377-R382 HydrophobicContact CG2-CB 3.88Å; T377-R382 PolarHBondContact O-N 2.94Å; A380-R382 VanDerWaalsContact C-N 3.28Å; A380-R382 HydrophobicContact CB-CG 4.2Å; A380-R382 PolarHBondContact O-N 3.36Å; R382-T384 PolarHBondContact O-N 2.96Å; R382-T384 PolarHBondContact O-OG1 2.61Å
383S95.9Very high93.9Very high48 Ų4841.3 Ų41.334%0.33620%0.203SC..  trans-54.8124.3170.8-560000109.8F317 R318 L511F317-S383 WeakPolarHBondContact CA-O 3.01Å; R318-S383 PolarHBondContact N-O 2.87Å; S383-L511 CarbonylContact C-O 3.52Å; S383-L511 VanDerWaalsContact CA-O 3.25Å; S383-L511 WeakPolarHBondContact CA-O 3.21Å
384T97.5Very high93.6Very high0 Ų039.5 Ų39.50%019%0.194CC..EExtended strand (participates in β ladder)trans-125.9138.3-170.4-57.40000110.9R318 F320 T377 L378 R382 L386 T510 L511R318-T384 CarbonylContact O-C 3.59Å; R318-T384 VanDerWaalsContact O-CA 3.27Å; R318-T384 WeakPolarHBondContact O-CA 3.21Å; F320-T384 HydrophobicContact CD2-CG2 4.28Å; F320-T384 HydrophobicContact CE2-CG2 4.35Å; T377-T384 HydrophobicContact CG2-CG2 4.39Å; T377-T384 WeakPolarHBondContact CG2-OG1 3.34Å; L378-T384 HydrophobicContact CD2-CG2 4.2Å; R382-T384 PolarHBondContact O-N 2.96Å; R382-T384 PolarHBondContact O-OG1 2.61Å; T384-L386 HydrophobicContact CG2-CD2 3.61Å; T384-L386 HydrophobicContact CG2-CG 4.06Å; T384-T510 CarbonylContact O-C 3.53Å; T384-T510 VanDerWaalsContact O-CA 3.31Å; T384-T510 WeakPolarHBondContact O-CA 3.23Å; T384-L511 PolarHBondContact N-O 3.47Å; T384-L511 PolarHBondContact O-N 3.03Å
385C98.4Very high93.2Very high0 Ų043 Ų430%021%0.213CC..EExtended strand (participates in β ladder)trans-123.3112174.4175.40000109.7A312 F317 R318 S319 F320 T510A312-C385 HydrophobicContact CB-CB 3.85Å; F317-C385 HydrophobicContact CB-CB 3.84Å; F317-C385 HydrophobicContact CD1-CB 4.01Å; F317-C385 HydrophobicContact CD2-CB 4.46Å; F317-C385 HydrophobicContact CG-CB 3.86Å; R318-C385 PolarHBondContact O-N 2.86Å; S319-C385 CarbonylContact C-O 3.43Å; S319-C385 WeakPolarHBondContact CA-O 3.13Å; S319-C385 PolarHBondContact OG-O 2.81Å; F320-C385 PolarHBondContact N-O 2.87Å; C385-T510 HydrophobicContact CB-CG2 4.14Å
386L98.3Very high92.9Very high0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-101.9134.1178.1-51.8-179.9000109.4F320 L322 L344 V374 T384 W388 L509F320-L386 HydrophobicContact CB-CD2 4.12Å; F320-L386 HydrophobicContact CD2-CD2 3.92Å; F320-L386 HydrophobicContact CG-CD2 4.48Å; L322-L386 HydrophobicContact CD1-CB 4.05Å; L322-L386 HydrophobicContact CD1-CD1 3.95Å; L322-L386 HydrophobicContact CD1-CD2 4.01Å; L322-L386 HydrophobicContact CD1-CG 4.22Å; L322-L386 HydrophobicContact CG-CB 4.47Å; L322-L386 HydrophobicContact CG-CD2 4.44Å; L344-L386 HydrophobicContact CD1-CD1 3.9Å; V374-L386 HydrophobicContact CG1-CD1 4.29Å; V374-L386 HydrophobicContact CG1-CD2 4Å; V374-L386 HydrophobicContact CG2-CD2 3.72Å; T384-L386 HydrophobicContact CG2-CD2 3.61Å; T384-L386 HydrophobicContact CG2-CG 4.06Å; L386-W388 HydrophobicContact CB-CE3 4.5Å; L386-W388 HydrophobicContact CB-CH2 3.52Å; L386-W388 HydrophobicContact CB-CZ3 3.5Å; L386-W388 VanDerWaalsContact CB-CZ3 3.5Å; L386-W388 HydrophobicContact CD1-CH2 4.13Å; L386-W388 HydrophobicContact CG-CH2 4.47Å; L386-L509 HydrophobicContact CB-CB 4.33Å; L386-L509 HydrophobicContact CD1-CD2 4.19Å; L386-L509 PolarHBondContact N-O 2.77Å; L386-L509 PolarHBondContact O-N 3.48Å
387L98.5Very high92.8Very high2 Ų246.3 Ų46.31%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-124.6137-170.7-60.9167.7000111L305 A308 C309 F320 V321 L322 V507 L508L305-L387 HydrophobicContact CD2-CB 3.99Å; A308-L387 HydrophobicContact CB-CD1 3.94Å; A308-L387 HydrophobicContact CB-CD2 4.26Å; C309-L387 VanDerWaalsContact CA-CD1 3.5Å; C309-L387 HydrophobicContact CB-CD1 3.67Å; F320-L387 PolarHBondContact O-N 2.66Å; V321-L387 CarbonylContact C-O 3.57Å; V321-L387 WeakPolarHBondContact CA-O 3.37Å; V321-L387 HydrophobicContact CG2-CB 4.28Å; V321-L387 HydrophobicContact CG2-CD1 4.21Å; L322-L387 PolarHBondContact N-O 2.88Å; L387-V507 WeakPolarHBondContact CA-O 3.5Å; L387-L508 HydrophobicContact CD2-CB 4.21Å; L387-L508 HydrophobicContact CD2-CD2 3.71Å; L387-L508 HydrophobicContact CD2-CG 3.55Å
388W98Very high92.7Very high1 Ų146.7 Ų46.70%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-130.9151.2167.6-62.1-105.8000110L322 G323 L326 F337 L340 L362 L386 L506 V507 L509L322-W388 HydrophobicContact CB-CD2 4.28Å; L322-W388 HydrophobicContact CB-CZ2 3.78Å; L322-W388 HydrophobicContact CD1-CH2 3.81Å; L322-W388 HydrophobicContact CD1-CZ2 3.44Å; L322-W388 VanDerWaalsContact CD1-CZ2 3.44Å; L322-W388 HydrophobicContact CG-CZ2 4.09Å; G323-W388 CarbonylContact O-C 3.56Å; G323-W388 VanDerWaalsContact O-CA 3.24Å; G323-W388 WeakPolarHBondContact O-CA 3.24Å; L326-W388 HydrophobicContact CD2-CB 4.43Å; F337-W388 HydrophobicContact CD1-CH2 4.45Å; F337-W388 HydrophobicContact CD1-CZ2 4.5Å; F337-W388 AromaticContact CE1-CD2 3.55Å; F337-W388 HydrophobicContact CE1-CD2 3.55Å; F337-W388 AromaticContact CE1-CE2 3.63Å; F337-W388 AromaticContact CE1-CE3 3.69Å; F337-W388 HydrophobicContact CE1-CE3 3.69Å; F337-W388 HydrophobicContact CE1-CG 4.08Å; F337-W388 HydrophobicContact CE1-CH2 4.01Å; F337-W388 AromaticContact CE1-CZ2 3.86Å; F337-W388 HydrophobicContact CE1-CZ2 3.86Å; F337-W388 AromaticContact CE1-CZ3 3.93Å; F337-W388 HydrophobicContact CE1-CZ3 3.93Å; F337-W388 HydrophobicContact CZ-CB 4.38Å; F337-W388 AromaticContact CZ-CD2 3.95Å; F337-W388 HydrophobicContact CZ-CD2 3.95Å; F337-W388 HydrophobicContact CZ-CE3 4.26Å; F337-W388 AromaticContact CZ-CG 4Å; F337-W388 HydrophobicContact CZ-CG 4Å; L340-W388 HydrophobicContact CD2-CH2 4.4Å; L340-W388 HydrophobicContact CD2-CZ2 3.82Å; L362-W388 VanDerWaalsContact O-CD1 3.27Å; L362-W388 PolarHBondContact O-NE1 3.15Å; L386-W388 HydrophobicContact CB-CE3 4.5Å; L386-W388 HydrophobicContact CB-CH2 3.52Å; L386-W388 HydrophobicContact CB-CZ3 3.5Å; L386-W388 VanDerWaalsContact CB-CZ3 3.5Å; L386-W388 HydrophobicContact CD1-CH2 4.13Å; L386-W388 HydrophobicContact CG-CH2 4.47Å; W388-L506 WeakPolarHBondContact O-CA 3.44Å; W388-V507 HydrophobicContact CB-CB 4.2Å; W388-V507 HydrophobicContact CE3-CG1 4.48Å; W388-V507 PolarHBondContact N-O 3.39Å; W388-V507 PolarHBondContact O-N 2.9Å; W388-L509 HydrophobicContact CH2-CB 4.5Å; W388-L509 HydrophobicContact CH2-CD2 4.37Å; W388-L509 HydrophobicContact CZ3-CB 3.94Å
389G95.8Very high92.7Very high0 Ų055 Ų550%027%0.273CS..EExtended strand (participates in β ladder)trans-134.5162.6168.100000111.7N301 G323 R324 T325 L326 D505N301-G389 WeakPolarHBondContact OD1-CA 3.36Å; G323-G389 PolarHBondContact O-N 3.02Å; R324-G389 CarbonylContact C-O 3.56Å; R324-G389 WeakPolarHBondContact CA-O 3.31Å; T325-G389 PolarHBondContact N-O 3.18Å; L326-G389 VanDerWaalsContact CB-O 3.26Å; L326-G389 WeakPolarHBondContact CB-O 3.45Å; L326-G389 PolarHBondContact N-O 3Å; G389-D505 WeakPolarHBondContact CA-O 3.47Å
390G92Very high92.9Very high1 Ų147.4 Ų47.41%0.0125%0.248CC..EExtended strand (participates in β ladder)trans143.5-160.9-173.200000110.1L326 M504 D505L326-G390 CarbonylContact O-C 3.47Å; L326-G390 WeakPolarHBondContact O-CA 3.39Å; G390-M504 VanDerWaalsContact O-CB 3.26Å; G390-M504 WeakPolarHBondContact O-CB 3.47Å; G390-D505 PolarHBondContact N-O 2.88Å; G390-D505 WeakPolarHBondContact O-CA 3.46Å; G390-D505 WeakPolarHBondContact O-CB 3.46Å; G390-D505 PolarHBondContact O-N 2.76Å
391E89.5Confident93Very high10 Ų1049.7 Ų49.75%0.04724%0.244CC..  trans-143.2117.4-174.7-167.197157.100109.4L153 L326 R404 M504 D505L153-E391 HydrophobicContact CD2-CB 4.22Å; L153-E391 HydrophobicContact CD2-CG 4.16Å; L326-E391 PolarHBondContact O-N 3.16Å; E391-R404 IonicContact OE1-CZ 3.39Å; E391-R404 IonicContact OE1-NE 3.47Å; E391-R404 IonicContact OE1-NH1 2.66Å; E391-R404 PolarHBondContact OE1-NH1 3.38Å; E391-R404 IonicContact OE1-NH2 2.67Å; E391-R404 PolarHBondContact OE1-NH2 3.5Å; E391-R404 IonicContact OE2-CZ 3.08Å; E391-R404 IonicContact OE2-NE 2.68Å; E391-R404 IonicContact OE2-NH2 2.73Å; E391-R404 PolarHBondContact OE2-NH2 3.5Å; E391-M504 HydrophobicContact CB-CB 4.32Å; E391-M504 HydrophobicContact CB-CG 4.38Å; E391-M504 HydrophobicContact CB-SD 4.29Å; E391-M504 WeakPolarHBondContact OE2-CA 3.24Å; E391-M504 WeakPolarHBondContact OE2-CB 3.39Å; E391-D505 PolarHBondContact OE2-N 3.26Å
392T91.2Very high93.2Very high1 Ų143 Ų431%0.00622%0.219CC..  trans-91.3170174.255.90000111.9L326 G328 V333 R404 L408L326-T392 HydrophobicContact CD2-CG2 4.28Å; L326-T392 HydrophobicContact CG-CG2 4.21Å; G328-T392 CarbonylContact O-C 3.43Å; G328-T392 WeakPolarHBondContact O-CA 3.48Å; G328-T392 WeakPolarHBondContact O-CB 3.44Å; V333-T392 HydrophobicContact CB-CG2 4.28Å; V333-T392 HydrophobicContact CG1-CG2 4.11Å; V333-T392 HydrophobicContact CG2-CG2 4.15Å; T392-R404 WeakPolarHBondContact O-CD 3.4Å; T392-L408 HydrophobicContact CG2-CD1 3.85Å
393T88.8Confident93.1Very high14 Ų1436.6 Ų36.69%0.08620%0.197CC..BIsolated β-bridgetrans-126.2160.5179.972.20000111.7P155 D156 G328 E329 A330P155-T393 HydrophobicContact CB-CG2 3.3Å; P155-T393 HydrophobicContact CG-CG2 4.49Å; D156-T393 WeakPolarHBondContact O-CG2 3.4Å; G328-T393 PolarHBondContact O-N 3.27Å; E329-T393 CarbonylContact C-O 3.43Å; E329-T393 WeakPolarHBondContact CA-O 3.49Å; A330-T393 WeakPolarHBondContact CB-O 3.39Å; A330-T393 PolarHBondContact N-O 2.9Å
394V88.4Confident93.1Very high29 Ų2936.3 Ų36.318%0.17619%0.189CC..  trans-124.3127.9174.9173.40000108.9A330 V396 R404 E407 N478A330-V394 HydrophobicContact CB-CG2 4.05Å; V394-V396 HydrophobicContact CG1-CG2 3.9Å; V394-V396 PolarHBondContact O-N 2.91Å; V394-R404 VanDerWaalsContact CG2-CA 3.43Å; V394-R404 HydrophobicContact CG2-CB 3.81Å; V394-E407 WeakPolarHBondContact CG1-OE2 3.3Å; V394-E407 HydrophobicContact CG2-CB 4.18Å; V394-N478 WeakPolarHBondContact CG1-ND2 3.42Å
395N87.3Confident93.1Very high74 Ų7436.3 Ų36.340%0.39619%0.189SC..  trans-84.894.4168.7-70.3-38.1000108.9H397N395-H397 PolarHBondContact O-N 3.35Å; N395-H397 PolarHBondContact O-ND1 3.27Å
396V86.9Confident93.1Very high77 Ų7736.3 Ų36.347%0.46719%0.189SC..  trans-73.4114.9-176.7-174.50000110.7S160 V394 N478S160-V396 WeakPolarHBondContact CB-O 3.38Å; S160-V396 PolarHBondContact OG-O 2.81Å; V394-V396 HydrophobicContact CG1-CG2 3.9Å; V394-V396 PolarHBondContact O-N 2.91Å; V396-N478 WeakPolarHBondContact CA-OD1 3.48Å
397H90.3Very high93.1Very high138 Ų13836.7 Ų36.764%0.63919%0.19SC*.  trans-128.6-22.7177.456.5-78.7000112.7N395 S476 N478N395-H397 PolarHBondContact O-N 3.35Å; N395-H397 PolarHBondContact O-ND1 3.27Å; H397-S476 PolarHBondContact CD2-O 3.3Å; H397-S476 PolarHBondContact NE2-O 2.84Å; H397-S476 VanDerWaalsContact NE2-O 3.12Å; H397-N478 PolarHBondContact N-OD1 3.49Å; H397-N478 PolarHBondContact ND1-OD1 3.27Å
398G90.9Very high93.1Very high17 Ų1736.6 Ų36.618%0.17519%0.19CC..SBendtrans-84.5-176.517300000114.2D477 N478G398-D477 WeakPolarHBondContact CA-O 3.43Å; G398-D477 VanDerWaalsContact CA-OD1 3.23Å; G398-D477 WeakPolarHBondContact CA-OD1 3.36Å; G398-N478 PolarHBondContact N-OD1 2.86Å
399K92.7Very high93.1Very high202 Ų20236.5 Ų36.588%0.87819%0.19SC*.SBendtrans-108.71.6177.7-63179.9-175.7174.20113D477K399-D477 PolarHBondContact N-O 2.66Å; K399-D477 PolarHBondContact N-OD1 2.76Å
400G94Very high93.2Very high28 Ų2836.5 Ų36.529%0.28919%0.19SC..  trans-64.6176.6-179.600000114.2D477 N478 D479G400-D477 VanDerWaalsContact CA-O 3.23Å; G400-D477 WeakPolarHBondContact CA-O 3.32Å; G400-D477 PolarHBondContact N-O 3.18Å; G400-N478 CarbonylContact C-O 3.6Å; G400-D479 VanDerWaalsContact CA-OD1 3.24Å; G400-D479 WeakPolarHBondContact CA-OD1 3.45Å
401R94.1Very high93.5Very high105 Ų10536.5 Ų36.540%0.39619%0.189SC..  trans-115.4134172.5-168.7179.1-174.4179.80108.6P450 T451 N478 D479 S480 Y481R401-P450 PolarHBondContact NE-O 3.28Å; R401-P450 PolarHBondContact NH2-O 3.29Å; R401-T451 HydrophobicContact CG-CG2 4.02Å; R401-N478 CarbonylContact C-O 2.98Å; R401-N478 PolarHBondContact N-O 2.89Å; R401-D479 PolarHBondContact N-OD1 3.48Å; R401-D479 CarbonylContact O-C 3.43Å; R401-D479 VanDerWaalsContact O-C 3.25Å; R401-D479 WeakPolarHBondContact O-CA 3.37Å; R401-S480 PolarHBondContact O-N 3.24Å; R401-Y481 WeakPolarHBondContact O-CB 3.44Å; R401-Y481 PolarHBondContact O-N 3.05Å
402G93.9Very high93.9Very high14 Ų1436 Ų3614%0.14419%0.187CC..  trans-178.4-169.5-178.500000111.3P450 S480G402-P450 WeakPolarHBondContact O-CD 3.46Å; G402-S480 WeakPolarHBondContact CA-OG 3.47Å
403G93.3Very high94.2Very high8 Ų836.1 Ų36.18%0.08219%0.187CC..  trans-154.6174.217100000110.2N405 Q406 E407 D448G403-N405 VanDerWaalsContact C-N 3.3Å; G403-N405 PolarHBondContact O-N 3.46Å; G403-Q406 PolarHBondContact O-N 2.85Å; G403-E407 WeakPolarHBondContact O-CB 3.34Å; G403-E407 PolarHBondContact O-N 3.42Å; G403-D448 VanDerWaalsContact CA-CG 3.49Å; G403-D448 WeakPolarHBondContact CA-OD1 3.28Å; G403-D448 WeakPolarHBondContact CA-OD2 3.46Å
404R95.2Very high94.6Very high42 Ų4235.9 Ų35.916%0.15819%0.186CC..Hα-helixtrans-59.7-39.5-175.863.2-177.9176.8-122.61.2112.4A330 E391 T392 V394 E407 L408 D448 D505A330-R404 HydrophobicContact CB-CB 4.3Å; A330-R404 WeakPolarHBondContact CB-O 3.46Å; E391-R404 IonicContact OE1-CZ 3.39Å; E391-R404 IonicContact OE1-NE 3.47Å; E391-R404 IonicContact OE1-NH1 2.66Å; E391-R404 PolarHBondContact OE1-NH1 3.38Å; E391-R404 IonicContact OE1-NH2 2.67Å; E391-R404 PolarHBondContact OE1-NH2 3.5Å; E391-R404 IonicContact OE2-CZ 3.08Å; E391-R404 IonicContact OE2-NE 2.68Å; E391-R404 IonicContact OE2-NH2 2.73Å; E391-R404 PolarHBondContact OE2-NH2 3.5Å; T392-R404 WeakPolarHBondContact O-CD 3.4Å; V394-R404 VanDerWaalsContact CG2-CA 3.43Å; V394-R404 HydrophobicContact CG2-CB 3.81Å; R404-E407 PolarHBondContact O-N 3.33Å; R404-L408 WeakPolarHBondContact O-CB 3.44Å; R404-L408 PolarHBondContact O-N 3.14Å; R404-D448 WeakPolarHBondContact CG-OD1 3.32Å; R404-D448 PolarHBondContact N-OD1 2.97Å; R404-D505 VanDerWaalsContact CD-OD2 3.28Å; R404-D505 WeakPolarHBondContact CD-OD2 3.39Å; R404-D505 IonicContact CZ-OD1 3.35Å; R404-D505 IonicContact CZ-OD2 3.76Å; R404-D505 VanDerWaalsContact NE-CG 3.31Å; R404-D505 IonicContact NE-OD1 2.72Å; R404-D505 PolarHBondContact NE-OD1 3.24Å; R404-D505 VanDerWaalsContact NE-OD1 3.08Å; R404-D505 IonicContact NE-OD2 2.88Å; R404-D505 PolarHBondContact NE-OD2 3.44Å; R404-D505 IonicContact NH2-OD1 3.27Å; R404-D505 PolarHBondContact NH2-OD1 2.8Å; R404-D505 IonicContact NH2-OD2 3.87Å
405N98.1Very high95Very high0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-71.2-42.9-178-71.3-77.2000110.9G403 L408 V409 S441 L442 D448 D505G403-N405 VanDerWaalsContact C-N 3.3Å; G403-N405 PolarHBondContact O-N 3.46Å; N405-L408 PolarHBondContact O-N 3.26Å; N405-V409 WeakPolarHBondContact O-CG2 3.25Å; N405-V409 PolarHBondContact O-N 2.94Å; N405-V409 VanDerWaalsContact O-N 3.16Å; N405-S441 WeakPolarHBondContact CB-O 3.37Å; N405-S441 WeakPolarHBondContact OD1-CB 3.32Å; N405-S441 PolarHBondContact OD1-OG 3.43Å; N405-L442 PolarHBondContact OD1-N 2.92Å; N405-D448 HydrophobicContact CB-CB 4.22Å; N405-D448 VanDerWaalsContact CB-CG 3.48Å; N405-D448 WeakPolarHBondContact CB-OD1 3.45Å; N405-D448 PolarHBondContact N-OD1 3.43Å; N405-D448 PolarHBondContact N-OD2 2.6Å; N405-D448 PolarHBondContact ND2-OD1 2.83Å; N405-D505 VanDerWaalsContact ND2-CG 3.33Å; N405-D505 PolarHBondContact ND2-OD1 3.34Å; N405-D505 WeakPolarHBondContact OD1-CB 3.29Å; N405-D505 VanDerWaalsContact OD1-CG 3.29Å
406Q98.1Very high95.3Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-63.9-44.3174.5-70.1162.87900111.5G403 L408 V409 L410 D448 T451 A456 S480 Y481 F484 L493G403-Q406 PolarHBondContact O-N 2.85Å; Q406-L408 PolarHBondContact O-N 3Å; Q406-V409 PolarHBondContact O-N 3.06Å; Q406-L410 WeakPolarHBondContact O-CB 3.38Å; Q406-L410 PolarHBondContact O-N 3.36Å; Q406-D448 WeakPolarHBondContact CB-OD2 3.44Å; Q406-D448 VanDerWaalsContact CG-OD2 3.23Å; Q406-D448 WeakPolarHBondContact CG-OD2 3.45Å; Q406-D448 PolarHBondContact N-OD2 3.37Å; Q406-D448 PolarHBondContact NE2-O 3.33Å; Q406-D448 PolarHBondContact NE2-OD2 2.85Å; Q406-T451 PolarHBondContact NE2-OG1 3.5Å; Q406-A456 HydrophobicContact CG-CB 4.1Å; Q406-S480 VanDerWaalsContact CB-OG 3.25Å; Q406-S480 WeakPolarHBondContact CB-OG 3.25Å; Q406-Y481 VanDerWaalsContact OE1-CB 3.25Å; Q406-Y481 VanDerWaalsContact OE1-CD2 3.32Å; Q406-F484 HydrophobicContact CB-CD2 4.31Å; Q406-F484 HydrophobicContact CB-CE2 4.19Å; Q406-F484 HydrophobicContact CG-CD2 4.42Å; Q406-F484 WeakPolarHBondContact O-CE2 3.13Å; Q406-L493 HydrophobicContact CG-CD2 4.45Å
407E98Very high95.7Very high7 Ų728.4 Ų28.43%0.03314%0.141CC..Hα-helixtrans-64.3-39.9178.7-167.1169.5125.700112.2A330 V394 G403 R404 L410 S411 L475 N478A330-E407 HydrophobicContact CB-CB 4.17Å; A330-E407 HydrophobicContact CB-CG 4.45Å; V394-E407 WeakPolarHBondContact CG1-OE2 3.3Å; V394-E407 HydrophobicContact CG2-CB 4.18Å; G403-E407 WeakPolarHBondContact O-CB 3.34Å; G403-E407 PolarHBondContact O-N 3.42Å; R404-E407 PolarHBondContact O-N 3.33Å; E407-L410 PolarHBondContact O-N 2.67Å; E407-S411 WeakPolarHBondContact O-CB 3.5Å; E407-S411 PolarHBondContact O-N 2.99Å; E407-L475 HydrophobicContact CG-CD1 3.57Å; E407-N478 PolarHBondContact OE2-ND2 2.77Å
408L98.4Very high95.9Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-59.4-47.7175.5-168.7167000111.2A330 V333 G334 F337 T392 R404 N405 Q406 S411 F412 F439 V507A330-L408 HydrophobicContact CB-CB 4.11Å; A330-L408 WeakPolarHBondContact O-CA 3.25Å; V333-L408 HydrophobicContact CG1-CD1 3.9Å; V333-L408 HydrophobicContact CG1-CG 4.24Å; G334-L408 WeakPolarHBondContact CA-O 3.42Å; F337-L408 HydrophobicContact CD2-CD2 4.04Å; F337-L408 HydrophobicContact CE2-CD2 4.35Å; T392-L408 HydrophobicContact CG2-CD1 3.85Å; R404-L408 WeakPolarHBondContact O-CB 3.44Å; R404-L408 PolarHBondContact O-N 3.14Å; N405-L408 PolarHBondContact O-N 3.26Å; Q406-L408 PolarHBondContact O-N 3Å; L408-S411 PolarHBondContact O-N 3.16Å; L408-F412 WeakPolarHBondContact O-CB 3.31Å; L408-F412 PolarHBondContact O-N 3.03Å; L408-F439 HydrophobicContact CD2-CE1 3.39Å; L408-F439 HydrophobicContact CD2-CZ 3.35Å; L408-V507 HydrophobicContact CD1-CG2 4.26Å
409V98.5Very high95.9Very high0 Ų026.2 Ų26.20%012%0.122CC..Hα-helixtrans-66.3-41176.9177.60000111.4N405 Q406 S411 F412 I413 F439 A456 F458 F484N405-V409 WeakPolarHBondContact O-CG2 3.25Å; N405-V409 PolarHBondContact O-N 2.94Å; N405-V409 VanDerWaalsContact O-N 3.16Å; Q406-V409 PolarHBondContact O-N 3.06Å; V409-S411 VanDerWaalsContact C-N 3.33Å; V409-S411 PolarHBondContact O-N 3.3Å; V409-F412 WeakPolarHBondContact O-CB 3.41Å; V409-F412 PolarHBondContact O-N 3.27Å; V409-I413 HydrophobicContact CG1-CD1 4.37Å; V409-I413 WeakPolarHBondContact O-CG1 3.27Å; V409-I413 PolarHBondContact O-N 3.15Å; V409-F439 HydrophobicContact CG1-CD1 4.5Å; V409-F439 HydrophobicContact CG2-CD1 4.19Å; V409-F439 HydrophobicContact CG2-CE1 4.2Å; V409-A456 HydrophobicContact CB-CB 4.13Å; V409-A456 HydrophobicContact CG1-CB 4.16Å; V409-A456 HydrophobicContact CG2-CB 4.32Å; V409-A456 WeakPolarHBondContact CG2-O 3.46Å; V409-F458 HydrophobicContact CG1-CB 3.96Å; V409-F484 HydrophobicContact CB-CZ 4.06Å; V409-F484 HydrophobicContact CG1-CE1 4.18Å; V409-F484 HydrophobicContact CG1-CZ 3.71Å
410L97.9Very high95.6Very high0 Ų019.7 Ų19.70%09%0.094CC..Hα-helixtrans-65-38.7178.4-172.158.2000111.9Q406 E407 I413 E414 V471 L475 Y483 F484Q406-L410 WeakPolarHBondContact O-CB 3.38Å; Q406-L410 PolarHBondContact O-N 3.36Å; E407-L410 PolarHBondContact O-N 2.67Å; L410-I413 WeakPolarHBondContact O-CB 3.36Å; L410-I413 PolarHBondContact O-N 3.46Å; L410-E414 PolarHBondContact O-N 2.81Å; L410-V471 HydrophobicContact CD1-CB 4.35Å; L410-V471 HydrophobicContact CD1-CG1 3.73Å; L410-V471 HydrophobicContact CD1-CG2 4.17Å; L410-V471 HydrophobicContact CG-CG1 4.11Å; L410-L475 HydrophobicContact CB-CD1 4.14Å; L410-L475 HydrophobicContact CD2-CB 4.22Å; L410-L475 HydrophobicContact CD2-CD1 4.08Å; L410-L475 HydrophobicContact CG-CD1 4.09Å; L410-Y483 HydrophobicContact CD1-CD1 3.34Å; L410-Y483 HydrophobicContact CD1-CD2 4.21Å; L410-Y483 HydrophobicContact CD1-CE1 3.37Å; L410-Y483 HydrophobicContact CD1-CE2 4.23Å; L410-Y483 HydrophobicContact CD1-CG 3.78Å; L410-Y483 HydrophobicContact CD2-CD1 4.46Å; L410-Y483 HydrophobicContact CD2-CG 4.32Å; L410-Y483 HydrophobicContact CG-CD1 4.5Å; L410-F484 HydrophobicContact CB-CE2 4.11Å; L410-F484 HydrophobicContact CB-CZ 4.12Å; L410-F484 HydrophobicContact CD1-CZ 4.38Å
411S98.1Very high95.3Very high0 Ų025.3 Ų25.30%011%0.106CC..Hα-helixtrans-72.7-32.4176.8-162.80000113S331 K335 E407 L408 V409 I413 E414 E415S331-S411 WeakPolarHBondContact O-CB 3.36Å; S331-S411 PolarHBondContact O-OG 3.39Å; K335-S411 WeakPolarHBondContact CE-OG 2.91Å; K335-S411 WeakPolarHBondContact CG-OG 3.15Å; E407-S411 WeakPolarHBondContact O-CB 3.5Å; E407-S411 PolarHBondContact O-N 2.99Å; L408-S411 PolarHBondContact O-N 3.16Å; V409-S411 VanDerWaalsContact C-N 3.33Å; V409-S411 PolarHBondContact O-N 3.3Å; S411-I413 VanDerWaalsContact C-N 3.31Å; S411-I413 PolarHBondContact O-N 3.15Å; S411-E414 WeakPolarHBondContact O-CB 3.35Å; S411-E414 PolarHBondContact O-N 3.34Å; S411-E415 PolarHBondContact O-N 3.14Å
412F98.1Very high95.1Very high0 Ų025.9 Ų25.90%011%0.112CC..Hα-helixtrans-58.8-43.1167.1175.1-78.5000111.7G334 F337 S338 L341 L408 V409 T416 F437 F439 F458G334-F412 WeakPolarHBondContact O-CA 3.43Å; F337-F412 HydrophobicContact CB-CD2 3.74Å; F337-F412 HydrophobicContact CB-CE2 4.21Å; S338-F412 VanDerWaalsContact CA-CE2 3.41Å; S338-F412 VanDerWaalsContact N-CD2 3.32Å; L341-F412 HydrophobicContact CD2-CE2 4.29Å; L341-F412 HydrophobicContact CD2-CZ 3.7Å; L408-F412 WeakPolarHBondContact O-CB 3.31Å; L408-F412 PolarHBondContact O-N 3.03Å; V409-F412 WeakPolarHBondContact O-CB 3.41Å; V409-F412 PolarHBondContact O-N 3.27Å; F412-T416 WeakPolarHBondContact CE1-OG1 3.35Å; F412-T416 WeakPolarHBondContact O-CB 3.38Å; F412-T416 PolarHBondContact O-N 2.74Å; F412-T416 PolarHBondContact O-OG1 2.78Å; F412-F437 AromaticContact CE1-CE2 3.79Å; F412-F437 HydrophobicContact CE1-CE2 3.79Å; F412-F437 HydrophobicContact CE1-CZ 4.45Å; F412-F437 AromaticContact CZ-CE2 3.83Å; F412-F437 HydrophobicContact CZ-CE2 3.83Å; F412-F437 HydrophobicContact CZ-CZ 4.49Å; F412-F439 HydrophobicContact CB-CD1 3.64Å; F412-F439 HydrophobicContact CB-CE1 3.45Å; F412-F439 VanDerWaalsContact CB-CE1 3.45Å; F412-F439 HydrophobicContact CB-CZ 4.31Å; F412-F439 HydrophobicContact CD1-CB 4.15Å; F412-F439 AromaticContact CD1-CD1 3.71Å; F412-F439 HydrophobicContact CD1-CD1 3.71Å; F412-F439 HydrophobicContact CD1-CE1 4.36Å; F412-F439 HydrophobicContact CD1-CG 4.05Å; F412-F439 AromaticContact CD2-CD1 3.59Å; F412-F439 HydrophobicContact CD2-CD1 3.59Å; F412-F439 HydrophobicContact CD2-CD2 4Å; F412-F439 AromaticContact CD2-CE1 3.62Å; F412-F439 HydrophobicContact CD2-CE1 3.62Å; F412-F439 HydrophobicContact CD2-CE2 4.03Å; F412-F439 AromaticContact CD2-CG 3.77Å; F412-F439 HydrophobicContact CD2-CG 3.77Å; F412-F439 AromaticContact CD2-CZ 3.82Å; F412-F439 HydrophobicContact CD2-CZ 3.82Å; F412-F439 HydrophobicContact CE1-CB 3.94Å; F412-F439 HydrophobicContact CE1-CD1 4.3Å; F412-F439 HydrophobicContact CE1-CG 4.18Å; F412-F439 HydrophobicContact CE2-CB 4.26Å; F412-F439 HydrophobicContact CE2-CD1 4.15Å; F412-F439 AromaticContact CE2-CD2 3.93Å; F412-F439 HydrophobicContact CE2-CD2 3.93Å; F412-F439 HydrophobicContact CE2-CE1 4.47Å; F412-F439 HydrophobicContact CE2-CE2 4.27Å; F412-F439 AromaticContact CE2-CG 3.84Å; F412-F439 HydrophobicContact CE2-CG 3.84Å; F412-F439 HydrophobicContact CG-CB 4.47Å; F412-F439 AromaticContact CG-CD1 3.34Å; F412-F439 HydrophobicContact CG-CD1 3.34Å; F412-F439 AromaticContact CG-CE1 3.55Å; F412-F439 HydrophobicContact CG-CE1 3.55Å; F412-F439 AromaticContact CG-CG 3.88Å; F412-F439 HydrophobicContact CG-CG 3.88Å; F412-F439 HydrophobicContact CG-CZ 4.24Å; F412-F439 HydrophobicContact CZ-CB 3.98Å; F412-F439 HydrophobicContact CZ-CD1 4.49Å; F412-F439 HydrophobicContact CZ-CD2 4.46Å; F412-F439 HydrophobicContact CZ-CG 4.07Å; F412-F458 HydrophobicContact CD1-CD1 4.02Å; F412-F458 AromaticContact CE1-CD1 3.71Å; F412-F458 HydrophobicContact CE1-CD1 3.71Å; F412-F458 HydrophobicContact CE1-CE1 4.03Å
413I97Very high94.6Very high3 Ų328.4 Ų28.42%0.01514%0.138CC..Hα-helixtrans-62.9-47.3176.3-68.5167.6000110.6V409 L410 S411 E415 T416 L417 F458 L466 V471 Y483 F484V409-I413 HydrophobicContact CG1-CD1 4.37Å; V409-I413 WeakPolarHBondContact O-CG1 3.27Å; V409-I413 PolarHBondContact O-N 3.15Å; L410-I413 WeakPolarHBondContact O-CB 3.36Å; L410-I413 PolarHBondContact O-N 3.46Å; S411-I413 VanDerWaalsContact C-N 3.31Å; S411-I413 PolarHBondContact O-N 3.15Å; I413-E415 VanDerWaalsContact C-N 3.35Å; I413-E415 PolarHBondContact O-N 2.9Å; I413-T416 PolarHBondContact O-N 3.09Å; I413-L417 HydrophobicContact CG2-CD1 3.8Å; I413-L417 HydrophobicContact CG2-CG 4.35Å; I413-L417 WeakPolarHBondContact O-CG 3.21Å; I413-L417 PolarHBondContact O-N 2.72Å; I413-F458 HydrophobicContact CD1-CB 4.03Å; I413-F458 HydrophobicContact CD1-CD2 3.77Å; I413-F458 HydrophobicContact CD1-CG 3.99Å; I413-F458 HydrophobicContact CG1-CB 4.01Å; I413-F458 HydrophobicContact CG1-CD1 4.12Å; I413-F458 HydrophobicContact CG1-CD2 3.69Å; I413-F458 HydrophobicContact CG1-CE2 4.19Å; I413-F458 HydrophobicContact CG1-CG 3.65Å; I413-L466 HydrophobicContact CG2-CD1 3.57Å; I413-V471 HydrophobicContact CG2-CG1 4.38Å; I413-V471 HydrophobicContact CG2-CG2 3.86Å; I413-Y483 HydrophobicContact CD1-CE1 4.5Å; I413-F484 HydrophobicContact CD1-CE1 3.89Å; I413-F484 HydrophobicContact CD1-CZ 4.11Å
414E97.3Very high94.1Very high10 Ų1031.5 Ų31.55%0.04715%0.15CC..Hα-helixtrans-52.3-52.6177.7-172.4-159.8-163.900111.1K335 L410 S411 T416 L417 R418 Y468 V471 N472 L475K335-E414 WeakPolarHBondContact CE-OE2 3.45Å; K335-E414 IonicContact NZ-OE2 3.5Å; K335-E414 PolarHBondContact NZ-OE2 3.33Å; L410-E414 PolarHBondContact O-N 2.81Å; S411-E414 WeakPolarHBondContact O-CB 3.35Å; S411-E414 PolarHBondContact O-N 3.34Å; E414-T416 PolarHBondContact O-N 3.37Å; E414-L417 PolarHBondContact O-N 2.87Å; E414-R418 PolarHBondContact O-N 3.07Å; E414-Y468 HydrophobicContact CG-CD2 4.28Å; E414-Y468 HydrophobicContact CG-CE2 3.75Å; E414-V471 HydrophobicContact CB-CG1 3.65Å; E414-V471 HydrophobicContact CG-CG1 4.22Å; E414-N472 PolarHBondContact OE1-ND2 3.15Å; E414-L475 VanDerWaalsContact OE2-CD2 3.29Å; E414-L475 WeakPolarHBondContact OE2-CD2 3.36Å
415E96.5Very high93.2Very high11 Ų1130.9 Ų30.95%0.05115%0.15CC..Hα-helixtrans-65.1-39.5-178.9179.556.2-16100112.3K335 S411 I413 L417 R418 R419K335-E415 HydrophobicContact CB-CB 4.27Å; K335-E415 HydrophobicContact CB-CG 4.27Å; K335-E415 HydrophobicContact CG-CB 4.09Å; S411-E415 PolarHBondContact O-N 3.14Å; I413-E415 VanDerWaalsContact C-N 3.35Å; I413-E415 PolarHBondContact O-N 2.9Å; E415-L417 PolarHBondContact O-N 3.16Å; E415-R418 WeakPolarHBondContact O-CB 3.48Å; E415-R418 PolarHBondContact O-N 3.47Å; E415-R418 IonicContact OE1-CZ 3.54Å; E415-R418 IonicContact OE1-NE 3.11Å; E415-R418 IonicContact OE1-NH2 3.82Å; E415-R418 PolarHBondContact OE1-NH2 2.99Å; E415-R418 IonicContact OE2-CZ 3.53Å; E415-R418 IonicContact OE2-NE 3.46Å; E415-R418 PolarHBondContact OE2-NE 3.43Å; E415-R418 IonicContact OE2-NH2 3.36Å; E415-R418 PolarHBondContact OE2-NH2 3.39Å; E415-R419 WeakPolarHBondContact O-CG 3.4Å; E415-R419 PolarHBondContact O-N 3.43Å; E415-R419 IonicContact OE1-CZ 2.84Å; E415-R419 IonicContact OE1-NE 3.74Å; E415-R419 PolarHBondContact OE1-NE 3.44Å; E415-R419 IonicContact OE1-NH2 2.75Å
416T94.7Very high92Very high2 Ų233.1 Ų33.11%0.01216%0.161CC..Hα-helixtrans-61.3-46.3175.5-57.20000110.3S338 F412 I413 E414 R418 R419 K420 L425 L463S338-T416 WeakPolarHBondContact OG-CA 3.41Å; S338-T416 PolarHBondContact OG-N 2.83Å; S338-T416 PolarHBondContact OG-OG1 2.95Å; F412-T416 WeakPolarHBondContact CE1-OG1 3.35Å; F412-T416 WeakPolarHBondContact O-CB 3.38Å; F412-T416 PolarHBondContact O-N 2.74Å; F412-T416 PolarHBondContact O-OG1 2.78Å; I413-T416 PolarHBondContact O-N 3.09Å; E414-T416 PolarHBondContact O-N 3.37Å; T416-R418 VanDerWaalsContact C-N 3.33Å; T416-R418 PolarHBondContact O-N 2.86Å; T416-R419 PolarHBondContact O-N 3.45Å; T416-K420 PolarHBondContact O-N 3.28Å; T416-L425 HydrophobicContact CG2-CD1 3.77Å; T416-L425 HydrophobicContact CG2-CD2 4.31Å; T416-L425 WeakPolarHBondContact O-CD1 3.44Å; T416-L463 HydrophobicContact CG2-CD1 3.86Å; T416-L463 HydrophobicContact CG2-CD2 4.2Å
417L94.2Very high90.6Very high9 Ų937 Ų375%0.04719%0.187CC..Hα-helixtrans-63.3-38.3175.9-72168.5000112.2I413 E414 E415 K420 R421 L463 L466 Y468 V471I413-L417 HydrophobicContact CG2-CD1 3.8Å; I413-L417 HydrophobicContact CG2-CG 4.35Å; I413-L417 WeakPolarHBondContact O-CG 3.21Å; I413-L417 PolarHBondContact O-N 2.72Å; E414-L417 PolarHBondContact O-N 2.87Å; E415-L417 PolarHBondContact O-N 3.16Å; L417-K420 WeakPolarHBondContact O-CB 3.34Å; L417-K420 PolarHBondContact O-N 3.11Å; L417-R421 WeakPolarHBondContact O-CG 3.07Å; L417-R421 PolarHBondContact O-N 2.82Å; L417-L463 HydrophobicContact CD2-CD1 3.58Å; L417-L463 HydrophobicContact CD2-CG 4.3Å; L417-L463 HydrophobicContact CG-CD1 4Å; L417-L466 HydrophobicContact CD1-CB 3.98Å; L417-L466 HydrophobicContact CD2-CB 4.22Å; L417-Y468 HydrophobicContact CB-CD2 3.95Å; L417-V471 HydrophobicContact CD1-CB 4.49Å; L417-V471 HydrophobicContact CD1-CG2 3.96Å
418R94Very high89.7Confident80 Ų8041 Ų4130%0.30221%0.206SC..Hα-helixtrans-59.5-48.8174.9-162.4-175.566.497.77.9111.5E414 E415 T416 K420 R421 K422 Y468E414-R418 PolarHBondContact O-N 3.07Å; E415-R418 WeakPolarHBondContact O-CB 3.48Å; E415-R418 PolarHBondContact O-N 3.47Å; E415-R418 IonicContact OE1-CZ 3.54Å; E415-R418 IonicContact OE1-NE 3.11Å; E415-R418 IonicContact OE1-NH2 3.82Å; E415-R418 PolarHBondContact OE1-NH2 2.99Å; E415-R418 IonicContact OE2-CZ 3.53Å; E415-R418 IonicContact OE2-NE 3.46Å; E415-R418 PolarHBondContact OE2-NE 3.43Å; E415-R418 IonicContact OE2-NH2 3.36Å; E415-R418 PolarHBondContact OE2-NH2 3.39Å; T416-R418 VanDerWaalsContact C-N 3.33Å; T416-R418 PolarHBondContact O-N 2.86Å; R418-K420 VanDerWaalsContact C-N 3.34Å; R418-K420 PolarHBondContact O-N 3.5Å; R418-R421 PolarHBondContact O-N 3.46Å; R418-K422 PolarHBondContact O-N 3.43Å; R418-Y468 HydrophobicContact CB-CD2 4.33Å; R418-Y468 HydrophobicContact CB-CE2 3.79Å; R418-Y468 HydrophobicContact CG-CE2 4.14Å
419R91Very high88.9Confident29 Ų2941.9 Ų41.911%0.10921%0.209CC..Hα-helixtrans-64.1-37.7177.1-70.9178.4169.5-103.15.6111.9S339 H342 E415 T416 R421 K422 G423 E424 L425S339-R419 PolarHBondContact OG-NH2 3.05Å; H342-R419 PolarHBondContact ND1-NH1 2.79Å; H342-R419 VanDerWaalsContact ND1-NH1 3.11Å; E415-R419 WeakPolarHBondContact O-CG 3.4Å; E415-R419 PolarHBondContact O-N 3.43Å; E415-R419 IonicContact OE1-CZ 2.84Å; E415-R419 IonicContact OE1-NE 3.74Å; E415-R419 PolarHBondContact OE1-NE 3.44Å; E415-R419 IonicContact OE1-NH2 2.75Å; T416-R419 PolarHBondContact O-N 3.45Å; R419-R421 PolarHBondContact O-N 3.29Å; R419-K422 PolarHBondContact O-N 3.47Å; R419-K422 VanDerWaalsContact O-N 3.17Å; R419-G423 PolarHBondContact O-N 3.21Å; R419-E424 HydrophobicContact CB-CB 4.31Å; R419-E424 PolarHBondContact O-N 3.07Å; R419-L425 HydrophobicContact CB-CD2 4.1Å; R419-L425 HydrophobicContact CB-CG 4.1Å
420K88Confident87.4Confident65 Ų6542.2 Ų42.228%0.28321%0.211SC..Hα-helixtrans-57.8-48.3172.4-168.1175.7177.8167.50111.7T416 L417 R418 K422 G423 L425 N431 L463T416-K420 PolarHBondContact O-N 3.28Å; L417-K420 WeakPolarHBondContact O-CB 3.34Å; L417-K420 PolarHBondContact O-N 3.11Å; R418-K420 VanDerWaalsContact C-N 3.34Å; R418-K420 PolarHBondContact O-N 3.5Å; K420-K422 PolarHBondContact O-N 2.92Å; K420-G423 PolarHBondContact O-N 3.35Å; K420-L425 HydrophobicContact CB-CD1 3.55Å; K420-L425 HydrophobicContact CB-CG 4.28Å; K420-L425 HydrophobicContact CG-CD1 4.11Å; K420-N431 PolarHBondContact NZ-OD1 2.94Å; K420-L463 HydrophobicContact CD-CD2 3.9Å; K420-L463 HydrophobicContact CD-CG 4.15Å
421R87.9Confident85.7Confident147 Ų14747 Ų4756%0.55524%0.236SC*.Hα-helixtrans-60.2-28.5178.5-75.3177.2168-172.5-7.1112.3L417 R418 R419 Y468 D469L417-R421 WeakPolarHBondContact O-CG 3.07Å; L417-R421 PolarHBondContact O-N 2.82Å; R418-R421 PolarHBondContact O-N 3.46Å; R419-R421 PolarHBondContact O-N 3.29Å; R421-Y468 VanDerWaalsContact NH1-CG 3.34Å; R421-D469 IonicContact CZ-OD1 3.02Å; R421-D469 IonicContact NH1-OD1 3.5Å; R421-D469 PolarHBondContact NH1-OD1 3.37Å; R421-D469 IonicContact NH2-OD1 2.99Å; R421-D469 PolarHBondContact NH2-OD1 3.4Å; R421-D469 IonicContact NH2-OD2 3.72Å
422K88.6Confident83.8Confident116 Ų11649.3 Ų49.350%0.50426%0.26SS..THydrogen-bonded Turntrans-85.1-3.6175.7-66.4-176.1175.5-169.20114.8R418 R419 K420 E424R418-K422 PolarHBondContact O-N 3.43Å; R419-K422 PolarHBondContact O-N 3.47Å; R419-K422 VanDerWaalsContact O-N 3.17Å; K420-K422 PolarHBondContact O-N 2.92Å; K422-E424 VanDerWaalsContact C-N 3.27Å; K422-E424 HydrophobicContact CB-CG 3.83Å; K422-E424 WeakPolarHBondContact CD-OE1 3.12Å; K422-E424 PolarHBondContact O-N 3.45Å
423G84.3Confident82.2Confident67 Ų6750.6 Ų50.669%0.69127%0.274SS*.THydrogen-bonded Turntrans72.219.5-175.600000113.9R419 K420R419-G423 PolarHBondContact O-N 3.21Å; K420-G423 PolarHBondContact O-N 3.35Å
424E82.4Confident81.4Confident74 Ų7455.8 Ų55.835%0.34631%0.311SS..  trans-88.2-21.6-175.4-67167.9-177.700112.4H342 R419 K422H342-E424 PolarHBondContact CD2-O 2.99Å; H342-E424 VanDerWaalsContact CD2-O 3.3Å; H342-E424 PolarHBondContact NE2-O 2.96Å; R419-E424 HydrophobicContact CB-CB 4.31Å; R419-E424 PolarHBondContact O-N 3.07Å; K422-E424 VanDerWaalsContact C-N 3.27Å; K422-E424 HydrophobicContact CB-CG 3.83Å; K422-E424 WeakPolarHBondContact CD-OE1 3.12Å; K422-E424 PolarHBondContact O-N 3.45Å
425L76.8Confident81.1Confident28 Ų2855.8 Ų55.815%0.14731%0.311CS..SBendtrans-74.4141.5-177.7-72.8-177.4000113.3T416 R419 K420 P427 T430 L463T416-L425 HydrophobicContact CG2-CD1 3.77Å; T416-L425 HydrophobicContact CG2-CD2 4.31Å; T416-L425 WeakPolarHBondContact O-CD1 3.44Å; R419-L425 HydrophobicContact CB-CD2 4.1Å; R419-L425 HydrophobicContact CB-CG 4.1Å; K420-L425 HydrophobicContact CB-CD1 3.55Å; K420-L425 HydrophobicContact CB-CG 4.28Å; K420-L425 HydrophobicContact CG-CD1 4.11Å; L425-P427 VanDerWaalsContact O-CD 3.24Å; L425-P427 WeakPolarHBondContact O-CD 3.22Å; L425-T430 HydrophobicContact CB-CG2 4.17Å; L425-T430 HydrophobicContact CD1-CG2 3.8Å; L425-T430 HydrophobicContact CD2-CG2 4.43Å; L425-T430 HydrophobicContact CG-CG2 4.38Å; L425-L463 HydrophobicContact CD1-CD2 3.9Å
426L71.8Confident80.9Confident47 Ų4756.4 Ų56.425%0.24631%0.313CS..  trans-67.9115.2171.3-62.5171.7000110L345 E428 W429 T430L345-L426 HydrophobicContact CB-CD1 3.49Å; L345-L426 VanDerWaalsContact CB-CD1 3.49Å; L345-L426 VanDerWaalsContact O-CD1 3.29Å; L345-L426 WeakPolarHBondContact O-CD1 3.31Å; L426-E428 HydrophobicContact CB-CG 4.32Å; L426-E428 PolarHBondContact O-N 3.31Å; L426-W429 PolarHBondContact O-N 3.01Å; L426-T430 PolarHBondContact O-OG1 3.17Å
427P69.6Low80.9Confident83 Ų8356.5 Ų56.554%0.53931%0.314SS..Hα-helixtrans-59.6-30.3-175.8-2635.6000113.5L425 W429 T430 N431L425-P427 VanDerWaalsContact O-CD 3.24Å; L425-P427 WeakPolarHBondContact O-CD 3.22Å; P427-W429 VanDerWaalsContact C-N 3.26Å; P427-W429 PolarHBondContact O-N 3.49Å; P427-T430 PolarHBondContact O-N 3.15Å; P427-N431 PolarHBondContact O-N 3.17Å
428E79.1Confident81Confident91 Ų9156.1 Ų56.143%0.42531%0.312SS..Hα-helixtrans-60.6-33-178.671.1-172-179.900112.9L426 G433L426-E428 HydrophobicContact CB-CG 4.32Å; L426-E428 PolarHBondContact O-N 3.31Å; E428-G433 WeakPolarHBondContact O-CA 3.49Å
429W80.7Confident81.2Confident17 Ų1752.3 Ų52.36%0.06430%0.297CS..Hα-helixtrans-91.7-15.5-179.6-66.691.5000113.8L345 L426 P427 Y436 F437 S460 L511 P513L345-W429 HydrophobicContact CD1-CD2 3.71Å; L345-W429 HydrophobicContact CD1-CE3 4.24Å; L345-W429 HydrophobicContact CD1-CG 3.8Å; L345-W429 HydrophobicContact CD1-CZ2 4.46Å; L345-W429 HydrophobicContact CD2-CD2 4.37Å; L345-W429 HydrophobicContact CD2-CH2 4.07Å; L345-W429 HydrophobicContact CD2-CZ2 3.59Å; L426-W429 PolarHBondContact O-N 3.01Å; P427-W429 VanDerWaalsContact C-N 3.26Å; P427-W429 PolarHBondContact O-N 3.49Å; W429-Y436 WeakPolarHBondContact CZ3-O 3.39Å; W429-F437 HydrophobicContact CB-CD1 4.2Å; W429-F437 HydrophobicContact CB-CE1 4.36Å; W429-F437 HydrophobicContact CE3-CB 4.33Å; W429-F437 HydrophobicContact CE3-CD1 4.25Å; W429-S460 VanDerWaalsContact O-CB 3.24Å; W429-S460 WeakPolarHBondContact O-CB 3.49Å; W429-S460 PolarHBondContact O-OG 3.48Å; W429-L511 HydrophobicContact CE3-CD2 4.43Å; W429-L511 HydrophobicContact CH2-CB 3.99Å; W429-L511 HydrophobicContact CH2-CD2 4.43Å; W429-L511 HydrophobicContact CZ3-CB 3.88Å; W429-L511 HydrophobicContact CZ3-CD2 3.9Å; W429-L511 HydrophobicContact CZ3-CG 4.47Å; W429-P513 HydrophobicContact CH2-CB 3.84Å; W429-P513 HydrophobicContact CZ2-CB 4.11Å
430T67.9Low81.6Confident8 Ų850.9 Ų50.95%0.04929%0.292CS..Hα-helixtrans-130-15.1-158.658.40000115L425 L426 P427 F437 L463L425-T430 HydrophobicContact CB-CG2 4.17Å; L425-T430 HydrophobicContact CD1-CG2 3.8Å; L425-T430 HydrophobicContact CD2-CG2 4.43Å; L425-T430 HydrophobicContact CG-CG2 4.38Å; L426-T430 PolarHBondContact O-OG1 3.17Å; P427-T430 PolarHBondContact O-N 3.15Å; T430-F437 HydrophobicContact CG2-CE1 4.1Å; T430-L463 HydrophobicContact CG2-CD2 4Å
431N61.9Low82.1Confident99 Ų9947.8 Ų47.853%0.52928%0.279SS..SBendtrans-121.731.3-179-72.7-27.9000113.3K420 P427K420-N431 PolarHBondContact NZ-OD1 2.94Å; P427-N431 PolarHBondContact O-N 3.17Å
432G58.2Low82.6Confident49 Ų4940.8 Ų40.851%0.50525%0.252SS..SBendtrans74.630.7175.600000113.9
433G65.1Low82.9Confident27 Ų2735.3 Ų35.328%0.27823%0.228SC..SBendtrans-64.9-173.4162.200000111.8E428 S435 Y436E428-G433 WeakPolarHBondContact O-CA 3.49Å; G433-S435 PolarHBondContact O-N 3.34Å; G433-Y436 PolarHBondContact O-OH 3.4Å
434S80.1Confident83.3Confident113 Ų11332.1 Ų32.179%0.7920%0.195SC*.SBendtrans-70.6-12.2176.8-61.80000113.2
435S90.4Very high83.5Confident9 Ų929.1 Ų29.16%0.06318%0.182CC..  trans-105.5139.9-174.4-40.80000112.1G433 Y512 P513G433-S435 PolarHBondContact O-N 3.34Å; S435-Y512 CarbonylContact C-O 3.48Å; S435-Y512 WeakPolarHBondContact CA-O 3.38Å; S435-Y512 WeakPolarHBondContact CB-O 3.47Å; S435-P513 WeakPolarHBondContact CB-OXT 3.43Å; S435-P513 PolarHBondContact OG-OXT 2.99Å
436Y92.9Very high84.1Confident24 Ų2427.9 Ų27.99%0.09418%0.176CC..EExtended strand (participates in β ladder)trans-134.7159.5-179.4-61.7-77.4000110.9I8 H12 W429 G433 H459 S460 Y512I8-Y436 HydrophobicContact CD1-CE2 3.98Å; I8-Y436 HydrophobicContact CG2-CD2 3.92Å; I8-Y436 HydrophobicContact CG2-CE2 3.86Å; I8-Y436 HydrophobicContact CG2-CG 4.47Å; H12-Y436 AromaticContact CE1-CD2 3.95Å; W429-Y436 WeakPolarHBondContact CZ3-O 3.39Å; G433-Y436 PolarHBondContact O-OH 3.4Å; Y436-H459 AromaticContact CD1-CE1 3.55Å; Y436-H459 AromaticContact CG-CE1 3.87Å; Y436-S460 WeakPolarHBondContact CA-OG 3.33Å; Y436-Y512 PolarHBondContact N-O 3.07Å; Y436-Y512 WeakPolarHBondContact O-CD2 3.29Å; Y436-Y512 PolarHBondContact O-N 3.18Å
437F94.9Very high84.8Confident4 Ų429.6 Ų29.62%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-137.8156.116666.4-97.8000111.2L341 F412 W429 T430 F458 S460 L509 T510 L511L341-F437 HydrophobicContact CD2-CD1 4.08Å; L341-F437 HydrophobicContact CD2-CD2 3.83Å; L341-F437 HydrophobicContact CD2-CE1 3.99Å; L341-F437 HydrophobicContact CD2-CE2 3.75Å; L341-F437 HydrophobicContact CD2-CG 4.01Å; L341-F437 HydrophobicContact CD2-CZ 3.83Å; F412-F437 AromaticContact CE1-CE2 3.79Å; F412-F437 HydrophobicContact CE1-CE2 3.79Å; F412-F437 HydrophobicContact CE1-CZ 4.45Å; F412-F437 AromaticContact CZ-CE2 3.83Å; F412-F437 HydrophobicContact CZ-CE2 3.83Å; F412-F437 HydrophobicContact CZ-CZ 4.49Å; W429-F437 HydrophobicContact CB-CD1 4.2Å; W429-F437 HydrophobicContact CB-CE1 4.36Å; W429-F437 HydrophobicContact CE3-CB 4.33Å; W429-F437 HydrophobicContact CE3-CD1 4.25Å; T430-F437 HydrophobicContact CG2-CE1 4.1Å; F437-F458 AromaticContact CE2-CD1 3.93Å; F437-F458 HydrophobicContact CE2-CD1 3.93Å; F437-F458 AromaticContact CE2-CE1 3.64Å; F437-F458 HydrophobicContact CE2-CE1 3.64Å; F437-F458 AromaticContact CZ-CE1 3.91Å; F437-F458 HydrophobicContact CZ-CE1 3.91Å; F437-S460 VanDerWaalsContact CD1-CB 3.48Å; F437-S460 PolarHBondContact N-OG 3.24Å; F437-S460 VanDerWaalsContact N-OG 3.15Å; F437-S460 PolarHBondContact O-N 3.37Å; F437-L509 HydrophobicContact CD2-CD1 4.47Å; F437-T510 CarbonylContact C-O 3.41Å; F437-T510 WeakPolarHBondContact CA-O 3.45Å; F437-T510 WeakPolarHBondContact CB-O 3.41Å; F437-L511 HydrophobicContact CB-CD2 3.61Å
438T96.4Very high85.8Confident1 Ų125.7 Ų25.71%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-120.8146.2166.568.20000110.5H12 L16 F458 H459 L509 T510 Y512H12-T438 HydrophobicContact CB-CG2 4.12Å; L16-T438 WeakPolarHBondContact CD1-OG1 3.44Å; T438-F458 CarbonylContact C-O 3.46Å; T438-F458 WeakPolarHBondContact CA-O 3.44Å; T438-H459 HydrophobicContact CG2-CB 4.36Å; T438-H459 VanDerWaalsContact CG2-CD2 3.47Å; T438-H459 WeakPolarHBondContact CG2-CD2 3.17Å; T438-L509 WeakPolarHBondContact O-CA 3.3Å; T438-L509 WeakPolarHBondContact O-CD1 3.29Å; T438-T510 PolarHBondContact N-O 3.43Å; T438-T510 PolarHBondContact O-N 3.35Å; T438-T510 PolarHBondContact OG1-OG1 3.47Å; T438-Y512 HydrophobicContact CG2-CE2 4.15Å
439F98.1Very high86.2Confident0 Ų023 Ų230%015%0.154CC..EExtended strand (participates in β ladder)trans-129.6126.6171.8-177.1-107.5000109.4F337 L408 V409 F412 L457 F458 V507 L508 L509F337-F439 HydrophobicContact CB-CE2 3.76Å; F337-F439 HydrophobicContact CB-CZ 3.66Å; F337-F439 AromaticContact CD1-CE2 3.87Å; F337-F439 HydrophobicContact CD1-CE2 3.87Å; F337-F439 HydrophobicContact CD1-CZ 4.28Å; F337-F439 HydrophobicContact CD2-CE2 4.12Å; F337-F439 AromaticContact CD2-CZ 3.69Å; F337-F439 HydrophobicContact CD2-CZ 3.69Å; F337-F439 HydrophobicContact CE1-CE2 4.47Å; F337-F439 HydrophobicContact CE2-CZ 4.37Å; F337-F439 AromaticContact CG-CE2 3.67Å; F337-F439 HydrophobicContact CG-CE2 3.67Å; F337-F439 AromaticContact CG-CZ 3.63Å; F337-F439 HydrophobicContact CG-CZ 3.63Å; L408-F439 HydrophobicContact CD2-CE1 3.39Å; L408-F439 HydrophobicContact CD2-CZ 3.35Å; V409-F439 HydrophobicContact CG1-CD1 4.5Å; V409-F439 HydrophobicContact CG2-CD1 4.19Å; V409-F439 HydrophobicContact CG2-CE1 4.2Å; F412-F439 HydrophobicContact CB-CD1 3.64Å; F412-F439 HydrophobicContact CB-CE1 3.45Å; F412-F439 VanDerWaalsContact CB-CE1 3.45Å; F412-F439 HydrophobicContact CB-CZ 4.31Å; F412-F439 HydrophobicContact CD1-CB 4.15Å; F412-F439 AromaticContact CD1-CD1 3.71Å; F412-F439 HydrophobicContact CD1-CD1 3.71Å; F412-F439 HydrophobicContact CD1-CE1 4.36Å; F412-F439 HydrophobicContact CD1-CG 4.05Å; F412-F439 AromaticContact CD2-CD1 3.59Å; F412-F439 HydrophobicContact CD2-CD1 3.59Å; F412-F439 HydrophobicContact CD2-CD2 4Å; F412-F439 AromaticContact CD2-CE1 3.62Å; F412-F439 HydrophobicContact CD2-CE1 3.62Å; F412-F439 HydrophobicContact CD2-CE2 4.03Å; F412-F439 AromaticContact CD2-CG 3.77Å; F412-F439 HydrophobicContact CD2-CG 3.77Å; F412-F439 AromaticContact CD2-CZ 3.82Å; F412-F439 HydrophobicContact CD2-CZ 3.82Å; F412-F439 HydrophobicContact CE1-CB 3.94Å; F412-F439 HydrophobicContact CE1-CD1 4.3Å; F412-F439 HydrophobicContact CE1-CG 4.18Å; F412-F439 HydrophobicContact CE2-CB 4.26Å; F412-F439 HydrophobicContact CE2-CD1 4.15Å; F412-F439 AromaticContact CE2-CD2 3.93Å; F412-F439 HydrophobicContact CE2-CD2 3.93Å; F412-F439 HydrophobicContact CE2-CE1 4.47Å; F412-F439 HydrophobicContact CE2-CE2 4.27Å; F412-F439 AromaticContact CE2-CG 3.84Å; F412-F439 HydrophobicContact CE2-CG 3.84Å; F412-F439 HydrophobicContact CG-CB 4.47Å; F412-F439 AromaticContact CG-CD1 3.34Å; F412-F439 HydrophobicContact CG-CD1 3.34Å; F412-F439 AromaticContact CG-CE1 3.55Å; F412-F439 HydrophobicContact CG-CE1 3.55Å; F412-F439 AromaticContact CG-CG 3.88Å; F412-F439 HydrophobicContact CG-CG 3.88Å; F412-F439 HydrophobicContact CG-CZ 4.24Å; F412-F439 HydrophobicContact CZ-CB 3.98Å; F412-F439 HydrophobicContact CZ-CD1 4.49Å; F412-F439 HydrophobicContact CZ-CD2 4.46Å; F412-F439 HydrophobicContact CZ-CG 4.07Å; F439-L457 CarbonylContact O-C 3.59Å; F439-L457 VanDerWaalsContact O-CA 3.32Å; F439-L457 WeakPolarHBondContact O-CA 3.47Å; F439-F458 PolarHBondContact N-O 2.9Å; F439-F458 PolarHBondContact O-N 3.3Å; F439-V507 HydrophobicContact CD2-CG1 4.44Å; F439-V507 HydrophobicContact CE2-CG1 3.56Å; F439-V507 HydrophobicContact CZ-CG1 3.79Å; F439-L508 WeakPolarHBondContact CA-O 3.16Å; F439-L509 HydrophobicContact CB-CD1 4.47Å; F439-L509 HydrophobicContact CD2-CB 4.31Å; F439-L509 HydrophobicContact CD2-CD1 4.24Å
440S98.6Very high86.5Confident0 Ų026.6 Ų26.60%018%0.179CC..EExtended strand (participates in β ladder)trans-138148.9177.764.80000111.6L16 A456 V507 L508L16-S440 WeakPolarHBondContact CD1-OG 3.36Å; S440-A456 WeakPolarHBondContact CA-O 3.18Å; S440-A456 WeakPolarHBondContact CB-O 3.49Å; S440-V507 CarbonylContact O-C 3.58Å; S440-V507 VanDerWaalsContact O-CA 3.26Å; S440-V507 WeakPolarHBondContact O-CA 3.43Å; S440-V507 WeakPolarHBondContact O-CG1 3.44Å; S440-L508 PolarHBondContact N-O 2.74Å; S440-L508 PolarHBondContact O-N 3.37Å
441S98.6Very high87.5Confident0 Ų026.3 Ų26.30%018%0.178CC..EExtended strand (participates in β ladder)trans-127.9127.5167.8-1650000107.1N405 G455 A456 L506N405-S441 WeakPolarHBondContact CB-O 3.37Å; N405-S441 WeakPolarHBondContact OD1-CB 3.32Å; N405-S441 PolarHBondContact OD1-OG 3.43Å; S441-G455 WeakPolarHBondContact O-CA 3.2Å; S441-A456 PolarHBondContact N-O 2.87Å; S441-A456 PolarHBondContact O-N 3.43Å; S441-L506 WeakPolarHBondContact CA-O 3.38Å
442L98.2Very high88.7Confident0 Ų025.4 Ų25.40%017%0.173CC..EExtended strand (participates in β ladder)trans-141.7123.3-169.4-56.4175.3000111.5L16 F20 N405 A454 V494 D505 L506L16-L442 HydrophobicContact CD2-CD1 4.03Å; F20-L442 HydrophobicContact CB-CD1 3.9Å; F20-L442 HydrophobicContact CD1-CD1 3.87Å; F20-L442 HydrophobicContact CD2-CB 3.74Å; F20-L442 HydrophobicContact CD2-CD1 3.62Å; F20-L442 HydrophobicContact CD2-CG 4.32Å; F20-L442 HydrophobicContact CE1-CB 4.31Å; F20-L442 HydrophobicContact CE1-CD1 4.3Å; F20-L442 HydrophobicContact CE2-CB 3.36Å; F20-L442 HydrophobicContact CE2-CD1 4.09Å; F20-L442 HydrophobicContact CE2-CG 4.36Å; F20-L442 HydrophobicContact CG-CB 4.37Å; F20-L442 HydrophobicContact CG-CD1 3.5Å; F20-L442 HydrophobicContact CZ-CB 3.69Å; F20-L442 HydrophobicContact CZ-CD1 4.4Å; N405-L442 PolarHBondContact OD1-N 2.92Å; L442-A454 CarbonylContact C-O 3.51Å; L442-A454 WeakPolarHBondContact CA-O 3.44Å; L442-V494 HydrophobicContact CD1-CG1 4.4Å; L442-V494 HydrophobicContact CD2-CB 3.48Å; L442-V494 VanDerWaalsContact CD2-CB 3.48Å; L442-V494 HydrophobicContact CD2-CG1 3.82Å; L442-V494 HydrophobicContact CD2-CG2 3.5Å; L442-V494 VanDerWaalsContact CD2-CG2 3.5Å; L442-D505 WeakPolarHBondContact O-CA 2.96Å; L442-L506 PolarHBondContact N-O 3.36Å; L442-L506 PolarHBondContact O-N 2.86Å
443A94.5Very high90.4Very high0 Ų023 Ų230%015%0.149CC..EExtended strand (participates in β ladder)trans-70.7125.6172.200000110.5F20 D445 G446 A454 D505F20-A443 WeakPolarHBondContact CZ-O 3.48Å; A443-D445 PolarHBondContact O-N 3.08Å; A443-G446 PolarHBondContact O-N 2.59Å; A443-A454 WeakPolarHBondContact CB-O 3.23Å; A443-A454 PolarHBondContact N-O 2.96Å; A443-D505 WeakPolarHBondContact CA-OD1 3.43Å
444T93.1Very high91.8Very high0 Ų021.8 Ų21.80%014%0.136CC..THydrogen-bonded Turntrans-66.4-18.9-178.755.40000113.3G446 T499 T501 V503 M504 L506T444-G446 PolarHBondContact O-N 2.94Å; T444-T499 WeakPolarHBondContact O-CB 3.32Å; T444-T499 WeakPolarHBondContact O-CG2 3.3Å; T444-T499 PolarHBondContact O-OG1 3.21Å; T444-T501 WeakPolarHBondContact O-CG2 3.4Å; T444-V503 HydrophobicContact CG2-CG2 3.86Å; T444-V503 PolarHBondContact OG1-N 3.26Å; T444-M504 WeakPolarHBondContact CB-O 3.48Å; T444-M504 VanDerWaalsContact CG2-O 3.3Å; T444-M504 WeakPolarHBondContact CG2-O 3.23Å; T444-M504 PolarHBondContact N-O 3.31Å; T444-M504 PolarHBondContact OG1-N 2.99Å; T444-M504 PolarHBondContact OG1-O 3.17Å; T444-L506 HydrophobicContact CG2-CD1 3.91Å; T444-L506 HydrophobicContact CG2-CG 3.83Å
445D87.3Confident92.6Very high12 Ų1216.4 Ų16.46%0.06410%0.098CC..THydrogen-bonded Turntrans-79.6-4.9174.675.5-3.6000114.4K67 A443 Q447 L498 T499 T501 N502K67-D445 IonicContact NZ-OD2 3.57Å; K67-D445 PolarHBondContact NZ-OD2 3.3Å; A443-D445 PolarHBondContact O-N 3.08Å; D445-Q447 VanDerWaalsContact C-N 3.31Å; D445-Q447 PolarHBondContact OD1-N 3.23Å; D445-L498 WeakPolarHBondContact O-CD2 3.25Å; D445-T499 VanDerWaalsContact C-OG1 3.31Å; D445-T499 VanDerWaalsContact CA-OG1 3.3Å; D445-T499 WeakPolarHBondContact CA-OG1 3.31Å; D445-T499 PolarHBondContact O-N 3.46Å; D445-T499 PolarHBondContact O-OG1 3.48Å; D445-T501 WeakPolarHBondContact CA-O 3.21Å; D445-T501 WeakPolarHBondContact CB-O 3.34Å; D445-N502 HydrophobicContact CB-CB 4Å
446G88.6Confident93Very high2 Ų216 Ų162%0.02110%0.095CC..SBendtrans82.45.9179.100000114.3A443 T444 A453 A454 G497A443-G446 PolarHBondContact O-N 2.59Å; T444-G446 PolarHBondContact O-N 2.94Å; G446-A453 CarbonylContact O-C 3.23Å; G446-A454 WeakPolarHBondContact O-CA 3.39Å; G446-A454 PolarHBondContact O-N 3.01Å; G446-G497 WeakPolarHBondContact CA-O 3.24Å
447Q87.3Confident93.2Very high83 Ų8314.9 Ų14.939%0.3889%0.091SC..  trans-138.1121.2-177.7174.7167.468.900112.8D445 G449 T451 A453 L498D445-Q447 VanDerWaalsContact C-N 3.31Å; D445-Q447 PolarHBondContact OD1-N 3.23Å; Q447-G449 WeakPolarHBondContact CG-O 3.45Å; Q447-T451 PolarHBondContact NE2-O 2.72Å; Q447-A453 CarbonylContact C-O 3.43Å; Q447-A453 WeakPolarHBondContact CA-O 3.37Å; Q447-L498 HydrophobicContact CB-CD2 3.89Å
448D91.2Very high93.3Very high0 Ų014.7 Ų14.70%09%0.09CC..  trans-110.2113.5176.4-179.249.4000110.5G403 R404 N405 Q406 T451 A453 A454G403-D448 VanDerWaalsContact CA-CG 3.49Å; G403-D448 WeakPolarHBondContact CA-OD1 3.28Å; G403-D448 WeakPolarHBondContact CA-OD2 3.46Å; R404-D448 WeakPolarHBondContact CG-OD1 3.32Å; R404-D448 PolarHBondContact N-OD1 2.97Å; N405-D448 HydrophobicContact CB-CB 4.22Å; N405-D448 VanDerWaalsContact CB-CG 3.48Å; N405-D448 WeakPolarHBondContact CB-OD1 3.45Å; N405-D448 PolarHBondContact N-OD1 3.43Å; N405-D448 PolarHBondContact N-OD2 2.6Å; N405-D448 PolarHBondContact ND2-OD1 2.83Å; Q406-D448 WeakPolarHBondContact CB-OD2 3.44Å; Q406-D448 VanDerWaalsContact CG-OD2 3.23Å; Q406-D448 WeakPolarHBondContact CG-OD2 3.45Å; Q406-D448 PolarHBondContact N-OD2 3.37Å; Q406-D448 PolarHBondContact NE2-O 3.33Å; Q406-D448 PolarHBondContact NE2-OD2 2.85Å; D448-T451 WeakPolarHBondContact O-CB 3.39Å; D448-T451 WeakPolarHBondContact O-CG2 3.49Å; D448-T451 PolarHBondContact O-OG1 2.93Å; D448-A453 WeakPolarHBondContact CB-O 3.37Å; D448-A453 PolarHBondContact N-O 3.24Å; D448-A454 WeakPolarHBondContact CB-O 3.39Å
449G86.8Confident93.2Very high36 Ų3614.7 Ų14.737%0.3719%0.09SC..SBendtrans59-157.3-173.700000113Q447 T451Q447-G449 WeakPolarHBondContact CG-O 3.45Å; G449-T451 PolarHBondContact O-N 3.3Å
450P86.4Confident92.9Very high91 Ų9114.7 Ų14.759%0.5919%0.09SC*.SBendtrans-76.949175.633.5-38.4000112.1R401 G402R401-P450 PolarHBondContact NE-O 3.28Å; R401-P450 PolarHBondContact NH2-O 3.29Å; G402-P450 WeakPolarHBondContact O-CD 3.46Å
451T88.6Confident92.5Very high3 Ų315.7 Ų15.72%0.01810%0.097CC..SBendtrans-123.5176.3-176.182.10000113.2R401 Q406 Q447 D448 G449 A453 Y481R401-T451 HydrophobicContact CG-CG2 4.02Å; Q406-T451 PolarHBondContact NE2-OG1 3.5Å; Q447-T451 PolarHBondContact NE2-O 2.72Å; D448-T451 WeakPolarHBondContact O-CB 3.39Å; D448-T451 WeakPolarHBondContact O-CG2 3.49Å; D448-T451 PolarHBondContact O-OG1 2.93Å; G449-T451 PolarHBondContact O-N 3.3Å; T451-A453 PolarHBondContact OG1-N 3.13Å; T451-A453 PolarHBondContact OG1-O 3.47Å; T451-Y481 HydrophobicContact CG2-CD2 3.56Å; T451-Y481 HydrophobicContact CG2-CE2 4.23Å; T451-Y481 HydrophobicContact CG2-CG 3.95Å
452D88.6Confident92Very high79 Ų7916.1 Ų16.142%0.42210%0.099SC..SBendtrans-101.110.8173.971.1-23000112.9Y481 K495D452-Y481 WeakPolarHBondContact OD1-CE2 3.29Å; D452-Y481 VanDerWaalsContact OD1-CZ 3.23Å; D452-Y481 PolarHBondContact OD1-OH 3.1Å; D452-K495 VanDerWaalsContact CG-NZ 3.29Å; D452-K495 VanDerWaalsContact OD1-CE 3.25Å; D452-K495 WeakPolarHBondContact OD1-CE 3.06Å; D452-K495 IonicContact OD1-NZ 3.49Å; D452-K495 PolarHBondContact OD1-NZ 3.04Å; D452-K495 VanDerWaalsContact OD1-NZ 3.08Å; D452-K495 WeakPolarHBondContact OD2-CE 3.23Å; D452-K495 IonicContact OD2-NZ 2.94Å; D452-K495 PolarHBondContact OD2-NZ 3.34Å
453A92.8Very high91.6Very high0 Ų016.1 Ų16.10%010%0.099CC..SBendtrans-112146.5178.800000109.8G446 Q447 D448 T451 G455 Y481 L493 V494 K495G446-A453 CarbonylContact O-C 3.23Å; Q447-A453 CarbonylContact C-O 3.43Å; Q447-A453 WeakPolarHBondContact CA-O 3.37Å; D448-A453 WeakPolarHBondContact CB-O 3.37Å; D448-A453 PolarHBondContact N-O 3.24Å; T451-A453 PolarHBondContact OG1-N 3.13Å; T451-A453 PolarHBondContact OG1-O 3.47Å; A453-G455 PolarHBondContact O-N 2.84Å; A453-Y481 HydrophobicContact CB-CE2 4.42Å; A453-L493 HydrophobicContact CB-CB 4.28Å; A453-L493 HydrophobicContact CB-CD2 4Å; A453-V494 CarbonylContact C-O 3.57Å; A453-V494 WeakPolarHBondContact CA-O 3.4Å; A453-K495 HydrophobicContact CB-CG 4.16Å
454A94Very high91.2Very high0 Ų020.5 Ų20.50%013%0.129CC..SBendtrans-73.2-14.5170.700000112.4L442 A443 G446 D448 V494 V496L442-A454 CarbonylContact C-O 3.51Å; L442-A454 WeakPolarHBondContact CA-O 3.44Å; A443-A454 WeakPolarHBondContact CB-O 3.23Å; A443-A454 PolarHBondContact N-O 2.96Å; G446-A454 WeakPolarHBondContact O-CA 3.39Å; G446-A454 PolarHBondContact O-N 3.01Å; D448-A454 WeakPolarHBondContact CB-O 3.39Å; A454-V494 HydrophobicContact CB-CG1 4.48Å; A454-V494 PolarHBondContact N-O 3.46Å; A454-V496 HydrophobicContact CB-CG2 3.86Å
455G97.5Very high91Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans154.4-152.5-174.300000110.4S441 A453 V494S441-G455 WeakPolarHBondContact O-CA 3.2Å; A453-G455 PolarHBondContact O-N 2.84Å; G455-V494 PolarHBondContact O-N 2.87Å
456A98.2Very high91.3Very high0 Ų027.8 Ų27.80%016%0.161CC..EExtended strand (participates in β ladder)trans-138.6167.4179.400000112.3Q406 V409 S440 S441 F484 C492Q406-A456 HydrophobicContact CG-CB 4.1Å; V409-A456 HydrophobicContact CB-CB 4.13Å; V409-A456 HydrophobicContact CG1-CB 4.16Å; V409-A456 HydrophobicContact CG2-CB 4.32Å; V409-A456 WeakPolarHBondContact CG2-O 3.46Å; S440-A456 WeakPolarHBondContact CA-O 3.18Å; S440-A456 WeakPolarHBondContact CB-O 3.49Å; S441-A456 PolarHBondContact N-O 2.87Å; S441-A456 PolarHBondContact O-N 3.43Å; A456-F484 HydrophobicContact CB-CD1 4.19Å; A456-F484 HydrophobicContact CB-CD2 3.63Å; A456-F484 HydrophobicContact CB-CE1 4.02Å; A456-F484 HydrophobicContact CB-CE2 3.48Å; A456-F484 VanDerWaalsContact CB-CE2 3.48Å; A456-F484 HydrophobicContact CB-CG 4.02Å; A456-F484 HydrophobicContact CB-CZ 3.69Å; A456-C492 CarbonylContact C-O 3.51Å; A456-C492 VanDerWaalsContact CA-O 3.23Å; A456-C492 WeakPolarHBondContact CA-O 3.35Å
457L97.6Very high91.6Very high1 Ų129.9 Ų29.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-133.5157.4168.167.283.5000111F9 V13 L16 F439 C492 V494F9-L457 HydrophobicContact CE2-CD1 4.34Å; F9-L457 HydrophobicContact CZ-CD1 4.44Å; V13-L457 HydrophobicContact CB-CD2 4.48Å; V13-L457 HydrophobicContact CG1-CD2 3.8Å; V13-L457 HydrophobicContact CG2-CD1 3.87Å; V13-L457 HydrophobicContact CG2-CD2 4.04Å; L16-L457 HydrophobicContact CD2-CD2 4.49Å; F439-L457 CarbonylContact O-C 3.59Å; F439-L457 VanDerWaalsContact O-CA 3.32Å; F439-L457 WeakPolarHBondContact O-CA 3.47Å; L457-C492 PolarHBondContact N-O 3.43Å; L457-C492 VanDerWaalsContact O-CB 3.31Å; L457-C492 WeakPolarHBondContact O-CB 3.49Å; L457-V494 HydrophobicContact CD2-CG2 3.84Å; L457-V494 HydrophobicContact CG-CG2 4.38Å
458F96.2Very high91.9Very high1 Ų128.1 Ų28.10%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-128.4136.7172.9172.1-117.7000109.1V409 F412 I413 F437 T438 F439 Q462 L463 L466V409-F458 HydrophobicContact CG1-CB 3.96Å; F412-F458 HydrophobicContact CD1-CD1 4.02Å; F412-F458 AromaticContact CE1-CD1 3.71Å; F412-F458 HydrophobicContact CE1-CD1 3.71Å; F412-F458 HydrophobicContact CE1-CE1 4.03Å; I413-F458 HydrophobicContact CD1-CB 4.03Å; I413-F458 HydrophobicContact CD1-CD2 3.77Å; I413-F458 HydrophobicContact CD1-CG 3.99Å; I413-F458 HydrophobicContact CG1-CB 4.01Å; I413-F458 HydrophobicContact CG1-CD1 4.12Å; I413-F458 HydrophobicContact CG1-CD2 3.69Å; I413-F458 HydrophobicContact CG1-CE2 4.19Å; I413-F458 HydrophobicContact CG1-CG 3.65Å; F437-F458 AromaticContact CE2-CD1 3.93Å; F437-F458 HydrophobicContact CE2-CD1 3.93Å; F437-F458 AromaticContact CE2-CE1 3.64Å; F437-F458 HydrophobicContact CE2-CE1 3.64Å; F437-F458 AromaticContact CZ-CE1 3.91Å; F437-F458 HydrophobicContact CZ-CE1 3.91Å; T438-F458 CarbonylContact C-O 3.46Å; T438-F458 WeakPolarHBondContact CA-O 3.44Å; F439-F458 PolarHBondContact N-O 2.9Å; F439-F458 PolarHBondContact O-N 3.3Å; F458-Q462 HydrophobicContact CE2-CB 4.05Å; F458-L463 HydrophobicContact CZ-CB 4.17Å; F458-L463 HydrophobicContact CZ-CD1 3.95Å; F458-L466 HydrophobicContact CD2-CD1 4.33Å; F458-L466 HydrophobicContact CE2-CD1 3.7Å
459H94.4Very high92.2Very high0 Ų032.9 Ų32.90%019%0.191CC..EExtended strand (participates in β ladder)trans-119132.3173.5-175.7-75.9000109.8F9 H12 Y436 T438 S461 Q462F9-H459 HydrophobicContact CD2-CB 3.56Å; F9-H459 AromaticContact CD2-CG 3.71Å; F9-H459 HydrophobicContact CE2-CB 3.67Å; H12-H459 AromaticContact CE1-NE2 3.92Å; H12-H459 AromaticContact CG-NE2 3.75Å; H12-H459 AromaticContact ND1-CD2 3.77Å; H12-H459 AromaticContact ND1-NE2 2.93Å; H12-H459 PolarHBondContact ND1-NE2 3.1Å; Y436-H459 AromaticContact CD1-CE1 3.55Å; Y436-H459 AromaticContact CG-CE1 3.87Å; T438-H459 HydrophobicContact CG2-CB 4.36Å; T438-H459 VanDerWaalsContact CG2-CD2 3.47Å; T438-H459 WeakPolarHBondContact CG2-CD2 3.17Å; H459-S461 PolarHBondContact CE1-OG 3.03Å; H459-S461 VanDerWaalsContact ND1-CB 3.3Å; H459-S461 WeakPolarHBondContact ND1-CB 3.32Å; H459-S461 PolarHBondContact ND1-N 2.96Å; H459-S461 VanDerWaalsContact ND1-N 3.14Å; H459-S461 PolarHBondContact ND1-OG 2.91Å; H459-S461 PolarHBondContact O-N 3.16Å; H459-Q462 HydrophobicContact CB-CG 4.48Å; H459-Q462 WeakPolarHBondContact O-CB 3.48Å; H459-Q462 WeakPolarHBondContact O-CG 3.45Å; H459-Q462 PolarHBondContact O-N 2.91Å; H459-Q462 PolarHBondContact O-OE1 2.89Å
460S93Very high92.6Very high1 Ų134.7 Ų34.71%0.00719%0.19CC..G310 helixtrans-60.4-25.1-170.473.60000114.7W429 Y436 F437 Q462 L463W429-S460 VanDerWaalsContact O-CB 3.24Å; W429-S460 WeakPolarHBondContact O-CB 3.49Å; W429-S460 PolarHBondContact O-OG 3.48Å; Y436-S460 WeakPolarHBondContact CA-OG 3.33Å; F437-S460 VanDerWaalsContact CD1-CB 3.48Å; F437-S460 PolarHBondContact N-OG 3.24Å; F437-S460 VanDerWaalsContact N-OG 3.15Å; F437-S460 PolarHBondContact O-N 3.37Å; S460-Q462 PolarHBondContact O-N 3.43Å; S460-Q462 VanDerWaalsContact O-N 3.1Å; S460-L463 VanDerWaalsContact O-CB 3.3Å; S460-L463 WeakPolarHBondContact O-CB 3.48Å; S460-L463 PolarHBondContact O-N 3.15Å; S460-L463 VanDerWaalsContact O-N 3.13Å
461S89.2Confident93.1Very high20 Ų2030.4 Ų30.414%0.1416%0.162CC..G310 helixtrans-60.7-17172.7730000114.5H459H459-S461 PolarHBondContact CE1-OG 3.03Å; H459-S461 VanDerWaalsContact ND1-CB 3.3Å; H459-S461 WeakPolarHBondContact ND1-CB 3.32Å; H459-S461 PolarHBondContact ND1-N 2.96Å; H459-S461 VanDerWaalsContact ND1-N 3.14Å; H459-S461 PolarHBondContact ND1-OG 2.91Å; H459-S461 PolarHBondContact O-N 3.16Å
462Q89.6Confident93.5Very high9 Ų933.3 Ų33.34%0.04218%0.177CC..G310 helixtrans-83.2-18.2179.7-66173.2-38.600112.6F458 H459 S460 S464 K465 F488 C492F458-Q462 HydrophobicContact CE2-CB 4.05Å; H459-Q462 HydrophobicContact CB-CG 4.48Å; H459-Q462 WeakPolarHBondContact O-CB 3.48Å; H459-Q462 WeakPolarHBondContact O-CG 3.45Å; H459-Q462 PolarHBondContact O-N 2.91Å; H459-Q462 PolarHBondContact O-OE1 2.89Å; S460-Q462 PolarHBondContact O-N 3.43Å; S460-Q462 VanDerWaalsContact O-N 3.1Å; Q462-S464 PolarHBondContact O-N 3.36Å; Q462-S464 VanDerWaalsContact O-N 3.08Å; Q462-K465 WeakPolarHBondContact O-CB 3.49Å; Q462-K465 PolarHBondContact O-N 3.2Å; Q462-F488 HydrophobicContact CB-CE1 4.13Å; Q462-F488 HydrophobicContact CB-CE2 3.84Å; Q462-F488 HydrophobicContact CB-CZ 3.48Å; Q462-F488 VanDerWaalsContact CB-CZ 3.48Å; Q462-F488 HydrophobicContact CG-CD1 4.43Å; Q462-F488 HydrophobicContact CG-CD2 4.4Å; Q462-F488 HydrophobicContact CG-CE1 3.97Å; Q462-F488 HydrophobicContact CG-CE2 3.91Å; Q462-F488 HydrophobicContact CG-CZ 3.7Å; Q462-C492 PolarHBondContact NE2-SG 3.42Å
463L89.4Confident93.9Very high1 Ų132 Ų321%0.00518%0.178CC..G310 helixtrans-58.1-30.6-167.2-170.167.8000114.3T416 L417 K420 L425 T430 F458 S460 K465T416-L463 HydrophobicContact CG2-CD1 3.86Å; T416-L463 HydrophobicContact CG2-CD2 4.2Å; L417-L463 HydrophobicContact CD2-CD1 3.58Å; L417-L463 HydrophobicContact CD2-CG 4.3Å; L417-L463 HydrophobicContact CG-CD1 4Å; K420-L463 HydrophobicContact CD-CD2 3.9Å; K420-L463 HydrophobicContact CD-CG 4.15Å; L425-L463 HydrophobicContact CD1-CD2 3.9Å; T430-L463 HydrophobicContact CG2-CD2 4Å; F458-L463 HydrophobicContact CZ-CB 4.17Å; F458-L463 HydrophobicContact CZ-CD1 3.95Å; S460-L463 VanDerWaalsContact O-CB 3.3Å; S460-L463 WeakPolarHBondContact O-CB 3.48Å; S460-L463 PolarHBondContact O-N 3.15Å; S460-L463 VanDerWaalsContact O-N 3.13Å; L463-K465 PolarHBondContact O-N 3.25Å
464S86.3Confident94.1Very high91 Ų9135 Ų3564%0.63619%0.19SC*.G310 helixtrans-71.9-14.8177.957.80000114.1Q462Q462-S464 PolarHBondContact O-N 3.36Å; Q462-S464 VanDerWaalsContact O-N 3.08Å
465K88.7Confident94.2Very high145 Ų14535.7 Ų35.763%0.6319%0.193SC*.G310 helixtrans-100.61.6-177.6-60172.7177178.90112.9Q462 L463 F488Q462-K465 WeakPolarHBondContact O-CB 3.49Å; Q462-K465 PolarHBondContact O-N 3.2Å; L463-K465 PolarHBondContact O-N 3.25Å; K465-F488 HydrophobicContact CB-CE1 4.17Å; K465-F488 HydrophobicContact CB-CZ 4.21Å; K465-F488 HydrophobicContact CD-CE1 3.71Å; K465-F488 HydrophobicContact CD-CZ 4.47Å
466L92.9Very high94.2Very high20 Ų2038.8 Ų38.811%0.10522%0.215CC..  trans-105143.5-173.8-55.2-173.7000111.6I413 L417 F458 Y483 F488I413-L466 HydrophobicContact CG2-CD1 3.57Å; L417-L466 HydrophobicContact CD1-CB 3.98Å; L417-L466 HydrophobicContact CD2-CB 4.22Å; F458-L466 HydrophobicContact CD2-CD1 4.33Å; F458-L466 HydrophobicContact CE2-CD1 3.7Å; L466-Y483 WeakPolarHBondContact CD2-OH 3.45Å; L466-F488 HydrophobicContact CD2-CE2 3.69Å; L466-F488 HydrophobicContact CD2-CZ 3.61Å
467S94.3Very high94.1Very high46 Ų4642.1 Ų42.132%0.32223%0.233SC..  trans-105.5128.81721750000110.4D469 E470 V471S467-D469 VanDerWaalsContact C-N 3.3Å; S467-D469 PolarHBondContact O-N 3.08Å; S467-D469 PolarHBondContact OG-N 2.98Å; S467-E470 PolarHBondContact O-N 2.9Å; S467-V471 VanDerWaalsContact O-CG2 3.29Å; S467-V471 WeakPolarHBondContact O-CG2 3.43Å; S467-V471 PolarHBondContact O-N 3.24Å
468Y95Very high94.1Very high47 Ų4742.5 Ų42.518%0.18424%0.235CC..Hα-helixtrans-62.3-40.5175.1174.1-81.7000111.3E414 L417 R418 R421 E470 V471 N472E414-Y468 HydrophobicContact CG-CD2 4.28Å; E414-Y468 HydrophobicContact CG-CE2 3.75Å; L417-Y468 HydrophobicContact CB-CD2 3.95Å; R418-Y468 HydrophobicContact CB-CD2 4.33Å; R418-Y468 HydrophobicContact CB-CE2 3.79Å; R418-Y468 HydrophobicContact CG-CE2 4.14Å; R421-Y468 VanDerWaalsContact NH1-CG 3.34Å; Y468-E470 VanDerWaalsContact C-N 3.29Å; Y468-E470 PolarHBondContact O-N 3.5Å; Y468-V471 PolarHBondContact O-N 3.19Å; Y468-N472 HydrophobicContact CE1-CB 4.28Å; Y468-N472 VanDerWaalsContact O-CB 3.28Å; Y468-N472 WeakPolarHBondContact O-CB 3.27Å; Y468-N472 PolarHBondContact O-N 3.05Å
469D96.1Very high94.1Very high99 Ų9943.5 Ų43.553%0.52924%0.24SC..Hα-helixtrans-69.6-34.3-174.3-52.2-20.3000110.1R421 S467 A473R421-D469 IonicContact CZ-OD1 3.02Å; R421-D469 IonicContact NH1-OD1 3.5Å; R421-D469 PolarHBondContact NH1-OD1 3.37Å; R421-D469 IonicContact NH2-OD1 2.99Å; R421-D469 PolarHBondContact NH2-OD1 3.4Å; R421-D469 IonicContact NH2-OD2 3.72Å; S467-D469 VanDerWaalsContact C-N 3.3Å; S467-D469 PolarHBondContact O-N 3.08Å; S467-D469 PolarHBondContact OG-N 2.98Å; D469-A473 WeakPolarHBondContact O-CB 3.4Å; D469-A473 PolarHBondContact O-N 3.48Å; D469-A473 VanDerWaalsContact O-N 3.07Å
470E96.4Very high94.2Very high75 Ų7543.5 Ų43.535%0.3524%0.24SC..Hα-helixtrans-68.4-49.2172.6-175.5172.7-162.400111.7S467 Y468 N472 A473 Y474 Y483 H487S467-E470 PolarHBondContact O-N 2.9Å; Y468-E470 VanDerWaalsContact C-N 3.29Å; Y468-E470 PolarHBondContact O-N 3.5Å; E470-N472 VanDerWaalsContact C-N 3.3Å; E470-N472 PolarHBondContact O-N 3.31Å; E470-A473 WeakPolarHBondContact O-CB 3.43Å; E470-A473 PolarHBondContact O-N 3.06Å; E470-Y474 HydrophobicContact CG-CD2 4.05Å; E470-Y474 HydrophobicContact CG-CE2 3.96Å; E470-Y474 WeakPolarHBondContact O-CD2 3.37Å; E470-Y474 PolarHBondContact O-N 2.9Å; E470-Y474 VanDerWaalsContact O-N 3.12Å; E470-Y483 HydrophobicContact CG-CE2 4.38Å; E470-H487 VanDerWaalsContact CD-CE1 3.44Å; E470-H487 IonicContact OE1-CE1 3.61Å; E470-H487 PolarHBondContact OE1-CE1 3.49Å; E470-H487 IonicContact OE1-NE2 3.03Å; E470-H487 IonicContact OE2-CE1 2.73Å; E470-H487 IonicContact OE2-NE2 2.75Å; E470-H487 PolarHBondContact OE2-NE2 3.38Å
471V96.9Very high94.4Very high0 Ų043.9 Ų43.90%024%0.242CC..Hα-helixtrans-54.8-47.4175.9165.30000111.1L410 I413 E414 L417 S467 Y468 A473 Y474 L475 Y483L410-V471 HydrophobicContact CD1-CB 4.35Å; L410-V471 HydrophobicContact CD1-CG1 3.73Å; L410-V471 HydrophobicContact CD1-CG2 4.17Å; L410-V471 HydrophobicContact CG-CG1 4.11Å; I413-V471 HydrophobicContact CG2-CG1 4.38Å; I413-V471 HydrophobicContact CG2-CG2 3.86Å; E414-V471 HydrophobicContact CB-CG1 3.65Å; E414-V471 HydrophobicContact CG-CG1 4.22Å; L417-V471 HydrophobicContact CD1-CB 4.49Å; L417-V471 HydrophobicContact CD1-CG2 3.96Å; S467-V471 VanDerWaalsContact O-CG2 3.29Å; S467-V471 WeakPolarHBondContact O-CG2 3.43Å; S467-V471 PolarHBondContact O-N 3.24Å; Y468-V471 PolarHBondContact O-N 3.19Å; V471-A473 PolarHBondContact O-N 2.91Å; V471-Y474 PolarHBondContact O-N 3.42Å; V471-L475 WeakPolarHBondContact O-CB 3.49Å; V471-L475 PolarHBondContact O-N 2.99Å; V471-Y483 HydrophobicContact CG2-CE1 4.49Å; V471-Y483 HydrophobicContact CG2-CE2 3.66Å; V471-Y483 WeakPolarHBondContact CG2-OH 3.1Å
472N96.6Very high94.8Very high64 Ų6446.3 Ų46.334%0.34225%0.251SS..Hα-helixtrans-63.7-39.9-179.8-176.5-96.3000111.8E414 Y468 E470 L475 S476E414-N472 PolarHBondContact OE1-ND2 3.15Å; Y468-N472 HydrophobicContact CE1-CB 4.28Å; Y468-N472 VanDerWaalsContact O-CB 3.28Å; Y468-N472 WeakPolarHBondContact O-CB 3.27Å; Y468-N472 PolarHBondContact O-N 3.05Å; E470-N472 VanDerWaalsContact C-N 3.3Å; E470-N472 PolarHBondContact O-N 3.31Å; N472-L475 PolarHBondContact O-N 2.95Å; N472-S476 WeakPolarHBondContact O-CB 3.42Å; N472-S476 PolarHBondContact O-N 3.11Å; N472-S476 PolarHBondContact O-OG 2.88Å
473A97Very high95.2Very high52 Ų5246 Ų4643%0.4325%0.249SC..Hα-helixtrans-60-50.3176.400000112D469 E470 V471 L475 S476 D477D469-A473 WeakPolarHBondContact O-CB 3.4Å; D469-A473 PolarHBondContact O-N 3.48Å; D469-A473 VanDerWaalsContact O-N 3.07Å; E470-A473 WeakPolarHBondContact O-CB 3.43Å; E470-A473 PolarHBondContact O-N 3.06Å; V471-A473 PolarHBondContact O-N 2.91Å; A473-L475 VanDerWaalsContact C-N 3.35Å; A473-L475 PolarHBondContact O-N 2.79Å; A473-S476 PolarHBondContact O-N 2.68Å; A473-S476 PolarHBondContact O-OG 3.27Å; A473-D477 PolarHBondContact O-N 2.72Å
474Y97.5Very high95.5Very high63 Ų6346.1 Ų46.125%0.24725%0.249CC..Hα-helixtrans-64.4-37.5177.5-81.7-83.9000112.8E470 V471 D477 N478 D479 H482 Y483E470-Y474 HydrophobicContact CG-CD2 4.05Å; E470-Y474 HydrophobicContact CG-CE2 3.96Å; E470-Y474 WeakPolarHBondContact O-CD2 3.37Å; E470-Y474 PolarHBondContact O-N 2.9Å; E470-Y474 VanDerWaalsContact O-N 3.12Å; V471-Y474 PolarHBondContact O-N 3.42Å; Y474-D477 PolarHBondContact O-N 2.67Å; Y474-N478 PolarHBondContact O-N 3.47Å; Y474-D479 HydrophobicContact CD1-CB 3.87Å; Y474-D479 WeakPolarHBondContact CD1-O 3.49Å; Y474-D479 WeakPolarHBondContact CE1-OD2 3.3Å; Y474-D479 PolarHBondContact O-N 2.91Å; Y474-H482 HydrophobicContact CE1-CB 4.01Å; Y474-Y483 AromaticContact CD2-CD2 3.6Å; Y474-Y483 HydrophobicContact CD2-CD2 3.6Å; Y474-Y483 HydrophobicContact CD2-CG 4.37Å; Y474-Y483 HydrophobicContact CE2-CD2 4.14Å; Y474-Y483 AromaticContact CG-CD2 3.94Å; Y474-Y483 HydrophobicContact CG-CD2 3.94Å; Y474-Y483 HydrophobicContact CG-CG 4.29Å
475L96.2Very high95.9Very high14 Ų1447.1 Ų47.17%0.07324%0.242CC..Hα-helixtrans-64.6-41.4176.3-165.571.8000111.4E407 L410 E414 V471 N472 A473 D477 N478E407-L475 HydrophobicContact CG-CD1 3.57Å; L410-L475 HydrophobicContact CB-CD1 4.14Å; L410-L475 HydrophobicContact CD2-CB 4.22Å; L410-L475 HydrophobicContact CD2-CD1 4.08Å; L410-L475 HydrophobicContact CG-CD1 4.09Å; E414-L475 VanDerWaalsContact OE2-CD2 3.29Å; E414-L475 WeakPolarHBondContact OE2-CD2 3.36Å; V471-L475 WeakPolarHBondContact O-CB 3.49Å; V471-L475 PolarHBondContact O-N 2.99Å; N472-L475 PolarHBondContact O-N 2.95Å; A473-L475 VanDerWaalsContact C-N 3.35Å; A473-L475 PolarHBondContact O-N 2.79Å; L475-D477 PolarHBondContact O-N 2.87Å; L475-N478 PolarHBondContact O-N 3.41Å
476S95.8Very high96.1Very high66 Ų6643.4 Ų43.446%0.46224%0.235SC..Hα-helixtrans-68.3-17.6180730000114.9H397 N472 A473H397-S476 PolarHBondContact CD2-O 3.3Å; H397-S476 PolarHBondContact NE2-O 2.84Å; H397-S476 VanDerWaalsContact NE2-O 3.12Å; N472-S476 WeakPolarHBondContact O-CB 3.42Å; N472-S476 PolarHBondContact O-N 3.11Å; N472-S476 PolarHBondContact O-OG 2.88Å; A473-S476 PolarHBondContact O-N 2.68Å; A473-S476 PolarHBondContact O-OG 3.27Å
477D96.8Very high95.8Very high69 Ų6943.5 Ų43.537%0.36924%0.235SC..THydrogen-bonded Turntrans-106.311.1176.5-16331.2000112.5G398 K399 G400 A473 Y474 L475 D479G398-D477 WeakPolarHBondContact CA-O 3.43Å; G398-D477 VanDerWaalsContact CA-OD1 3.23Å; G398-D477 WeakPolarHBondContact CA-OD1 3.36Å; K399-D477 PolarHBondContact N-O 2.66Å; K399-D477 PolarHBondContact N-OD1 2.76Å; G400-D477 VanDerWaalsContact CA-O 3.23Å; G400-D477 WeakPolarHBondContact CA-O 3.32Å; G400-D477 PolarHBondContact N-O 3.18Å; A473-D477 PolarHBondContact O-N 2.72Å; Y474-D477 PolarHBondContact O-N 2.67Å; L475-D477 PolarHBondContact O-N 2.87Å; D477-D479 HydrophobicContact CB-CB 4.36Å; D477-D479 PolarHBondContact O-N 3.33Å
478N97.1Very high95.2Very high9 Ų943.8 Ų43.85%0.04823%0.23CC..THydrogen-bonded Turntrans5137.3-172.5-60.5113.8000113V394 V396 H397 G398 G400 R401 E407 Y474 L475V394-N478 WeakPolarHBondContact CG1-ND2 3.42Å; V396-N478 WeakPolarHBondContact CA-OD1 3.48Å; H397-N478 PolarHBondContact N-OD1 3.49Å; H397-N478 PolarHBondContact ND1-OD1 3.27Å; G398-N478 PolarHBondContact N-OD1 2.86Å; G400-N478 CarbonylContact C-O 3.6Å; R401-N478 CarbonylContact C-O 2.98Å; R401-N478 PolarHBondContact N-O 2.89Å; E407-N478 PolarHBondContact OE2-ND2 2.77Å; Y474-N478 PolarHBondContact O-N 3.47Å; L475-N478 PolarHBondContact O-N 3.41Å
479D97.1Very high94.7Very high22 Ų2249.3 Ų49.312%0.11826%0.263CS..  trans-107.634-170.5-16035.3000113.8G400 R401 Y474 D477 Y481 H482 Y483G400-D479 VanDerWaalsContact CA-OD1 3.24Å; G400-D479 WeakPolarHBondContact CA-OD1 3.45Å; R401-D479 PolarHBondContact N-OD1 3.48Å; R401-D479 CarbonylContact O-C 3.43Å; R401-D479 VanDerWaalsContact O-C 3.25Å; R401-D479 WeakPolarHBondContact O-CA 3.37Å; Y474-D479 HydrophobicContact CD1-CB 3.87Å; Y474-D479 WeakPolarHBondContact CD1-O 3.49Å; Y474-D479 WeakPolarHBondContact CE1-OD2 3.3Å; Y474-D479 PolarHBondContact O-N 2.91Å; D477-D479 HydrophobicContact CB-CB 4.36Å; D477-D479 PolarHBondContact O-N 3.33Å; D479-Y481 PolarHBondContact O-N 3.42Å; D479-Y481 VanDerWaalsContact O-N 3.16Å; D479-H482 PolarHBondContact O-N 3.44Å; D479-H482 IonicContact OD1-CE1 2.66Å; D479-H482 IonicContact OD1-CG 3.88Å; D479-H482 IonicContact OD1-ND1 3.49Å; D479-H482 PolarHBondContact OD1-ND1 3.36Å; D479-H482 WeakPolarHBondContact OD2-CB 3.36Å; D479-H482 IonicContact OD2-CG 2.66Å; D479-H482 IonicContact OD2-ND1 3.01Å; D479-H482 PolarHBondContact OD2-ND1 3.39Å; D479-Y483 PolarHBondContact O-N 3.24Å
480S97.4Very high94.4Very high1 Ų145.5 Ų45.51%0.00725%0.247CC..Hα-helixtrans-59.1-29.4-174.355.90000113.8R401 G402 Q406 Y483 F484R401-S480 PolarHBondContact O-N 3.24Å; G402-S480 WeakPolarHBondContact CA-OG 3.47Å; Q406-S480 VanDerWaalsContact CB-OG 3.25Å; Q406-S480 WeakPolarHBondContact CB-OG 3.25Å; S480-Y483 WeakPolarHBondContact O-CB 3.38Å; S480-Y483 PolarHBondContact O-N 2.94Å; S480-F484 WeakPolarHBondContact O-CD2 3.35Å; S480-F484 PolarHBondContact O-N 3.23Å; S480-F484 VanDerWaalsContact O-N 3.15Å
481Y97Very high94.1Very high8 Ų844.6 Ų44.63%0.03125%0.249CC..Hα-helixtrans-65.4-47.3177.1-177.4-94.5000112.3R401 Q406 T451 D452 A453 D479 Y483 F484 K485 L493 K495R401-Y481 WeakPolarHBondContact O-CB 3.44Å; R401-Y481 PolarHBondContact O-N 3.05Å; Q406-Y481 VanDerWaalsContact OE1-CB 3.25Å; Q406-Y481 VanDerWaalsContact OE1-CD2 3.32Å; T451-Y481 HydrophobicContact CG2-CD2 3.56Å; T451-Y481 HydrophobicContact CG2-CE2 4.23Å; T451-Y481 HydrophobicContact CG2-CG 3.95Å; D452-Y481 WeakPolarHBondContact OD1-CE2 3.29Å; D452-Y481 VanDerWaalsContact OD1-CZ 3.23Å; D452-Y481 PolarHBondContact OD1-OH 3.1Å; A453-Y481 HydrophobicContact CB-CE2 4.42Å; D479-Y481 PolarHBondContact O-N 3.42Å; D479-Y481 VanDerWaalsContact O-N 3.16Å; Y481-Y483 VanDerWaalsContact C-N 3.3Å; Y481-Y483 PolarHBondContact O-N 2.93Å; Y481-F484 PolarHBondContact O-N 3.3Å; Y481-K485 HydrophobicContact CD1-CD 4.46Å; Y481-K485 HydrophobicContact CE1-CD 3.79Å; Y481-K485 WeakPolarHBondContact O-CB 3.24Å; Y481-K485 PolarHBondContact O-N 3.21Å; Y481-L493 HydrophobicContact CD2-CD1 4.23Å; Y481-L493 HydrophobicContact CD2-CD2 4.14Å; Y481-L493 HydrophobicContact CE2-CD1 3.9Å; Y481-L493 HydrophobicContact CE2-CD2 4.42Å; Y481-K495 PolarHBondContact OH-NZ 2.9Å
482H96.8Very high94Very high72 Ų7244.7 Ų44.733%0.33325%0.25SC..Hα-helixtrans-69.8-31.9-179.6-68106.5000111.6Y474 D479 K485 S486Y474-H482 HydrophobicContact CE1-CB 4.01Å; D479-H482 PolarHBondContact O-N 3.44Å; D479-H482 IonicContact OD1-CE1 2.66Å; D479-H482 IonicContact OD1-CG 3.88Å; D479-H482 IonicContact OD1-ND1 3.49Å; D479-H482 PolarHBondContact OD1-ND1 3.36Å; D479-H482 WeakPolarHBondContact OD2-CB 3.36Å; D479-H482 IonicContact OD2-CG 2.66Å; D479-H482 IonicContact OD2-ND1 3.01Å; D479-H482 PolarHBondContact OD2-ND1 3.39Å; H482-K485 PolarHBondContact O-N 3.29Å; H482-S486 WeakPolarHBondContact O-CB 3.4Å; H482-S486 PolarHBondContact O-N 3.35Å; H482-S486 PolarHBondContact O-OG 3.47Å; H482-S486 VanDerWaalsContact O-OG 3.06Å
483Y97.2Very high94Very high2 Ų242.2 Ų42.21%0.00824%0.236CC..Hα-helixtrans-56-57170.3178.7-93.9000111.7L410 I413 L466 E470 V471 Y474 D479 S480 Y481 K485 S486 H487L410-Y483 HydrophobicContact CD1-CD1 3.34Å; L410-Y483 HydrophobicContact CD1-CD2 4.21Å; L410-Y483 HydrophobicContact CD1-CE1 3.37Å; L410-Y483 HydrophobicContact CD1-CE2 4.23Å; L410-Y483 HydrophobicContact CD1-CG 3.78Å; L410-Y483 HydrophobicContact CD2-CD1 4.46Å; L410-Y483 HydrophobicContact CD2-CG 4.32Å; L410-Y483 HydrophobicContact CG-CD1 4.5Å; I413-Y483 HydrophobicContact CD1-CE1 4.5Å; L466-Y483 WeakPolarHBondContact CD2-OH 3.45Å; E470-Y483 HydrophobicContact CG-CE2 4.38Å; V471-Y483 HydrophobicContact CG2-CE1 4.49Å; V471-Y483 HydrophobicContact CG2-CE2 3.66Å; V471-Y483 WeakPolarHBondContact CG2-OH 3.1Å; Y474-Y483 AromaticContact CD2-CD2 3.6Å; Y474-Y483 HydrophobicContact CD2-CD2 3.6Å; Y474-Y483 HydrophobicContact CD2-CG 4.37Å; Y474-Y483 HydrophobicContact CE2-CD2 4.14Å; Y474-Y483 AromaticContact CG-CD2 3.94Å; Y474-Y483 HydrophobicContact CG-CD2 3.94Å; Y474-Y483 HydrophobicContact CG-CG 4.29Å; D479-Y483 PolarHBondContact O-N 3.24Å; S480-Y483 WeakPolarHBondContact O-CB 3.38Å; S480-Y483 PolarHBondContact O-N 2.94Å; Y481-Y483 VanDerWaalsContact C-N 3.3Å; Y481-Y483 PolarHBondContact O-N 2.93Å; Y483-K485 VanDerWaalsContact C-N 3.28Å; Y483-K485 PolarHBondContact O-N 3.24Å; Y483-S486 PolarHBondContact O-N 3.23Å; Y483-S486 PolarHBondContact O-OG 2.95Å; Y483-H487 AromaticContact CD2-CE1 3.61Å; Y483-H487 AromaticContact CD2-ND1 3.71Å; Y483-H487 AromaticContact CE2-CE1 3.3Å; Y483-H487 WeakPolarHBondContact CE2-CE1 3.39Å; Y483-H487 AromaticContact CE2-ND1 3.64Å; Y483-H487 AromaticContact CE2-NE2 3.62Å; Y483-H487 AromaticContact CZ-CE1 3.92Å; Y483-H487 AromaticContact CZ-ND1 3.97Å; Y483-H487 AromaticContact CZ-NE2 3.94Å; Y483-H487 WeakPolarHBondContact O-CB 3.49Å; Y483-H487 PolarHBondContact O-N 2.97Å; Y483-H487 PolarHBondContact O-ND1 2.91Å
484F96.6Very high94Very high3 Ų340 Ų401%0.01322%0.218CC..Hα-helixtrans-70.1-26-178.5-69.7-66.1000113Q406 V409 L410 I413 A456 S480 Y481 G490 C492 L493Q406-F484 HydrophobicContact CB-CD2 4.31Å; Q406-F484 HydrophobicContact CB-CE2 4.19Å; Q406-F484 HydrophobicContact CG-CD2 4.42Å; Q406-F484 WeakPolarHBondContact O-CE2 3.13Å; V409-F484 HydrophobicContact CB-CZ 4.06Å; V409-F484 HydrophobicContact CG1-CE1 4.18Å; V409-F484 HydrophobicContact CG1-CZ 3.71Å; L410-F484 HydrophobicContact CB-CE2 4.11Å; L410-F484 HydrophobicContact CB-CZ 4.12Å; L410-F484 HydrophobicContact CD1-CZ 4.38Å; I413-F484 HydrophobicContact CD1-CE1 3.89Å; I413-F484 HydrophobicContact CD1-CZ 4.11Å; A456-F484 HydrophobicContact CB-CD1 4.19Å; A456-F484 HydrophobicContact CB-CD2 3.63Å; A456-F484 HydrophobicContact CB-CE1 4.02Å; A456-F484 HydrophobicContact CB-CE2 3.48Å; A456-F484 VanDerWaalsContact CB-CE2 3.48Å; A456-F484 HydrophobicContact CB-CG 4.02Å; A456-F484 HydrophobicContact CB-CZ 3.69Å; S480-F484 WeakPolarHBondContact O-CD2 3.35Å; S480-F484 PolarHBondContact O-N 3.23Å; S480-F484 VanDerWaalsContact O-N 3.15Å; Y481-F484 PolarHBondContact O-N 3.3Å; F484-G490 WeakPolarHBondContact O-CA 3.38Å; F484-C492 HydrophobicContact CD1-CB 3.71Å; F484-C492 HydrophobicContact CE1-CB 4.38Å; F484-L493 HydrophobicContact CB-CD1 4.44Å; F484-L493 HydrophobicContact CB-CD2 3.58Å; F484-L493 HydrophobicContact CB-CG 3.66Å; F484-L493 HydrophobicContact CD2-CD2 4.46Å; F484-L493 HydrophobicContact CG-CD2 4.35Å
485K95.4Very high93.8Very high112 Ų11242 Ų4249%0.48723%0.228SC..Hα-helixtrans-70.3-40.5174.2-174.6176.5176.9-177.20112.1Y481 H482 Y483 G490 L493Y481-K485 HydrophobicContact CD1-CD 4.46Å; Y481-K485 HydrophobicContact CE1-CD 3.79Å; Y481-K485 WeakPolarHBondContact O-CB 3.24Å; Y481-K485 PolarHBondContact O-N 3.21Å; H482-K485 PolarHBondContact O-N 3.29Å; Y483-K485 VanDerWaalsContact C-N 3.28Å; Y483-K485 PolarHBondContact O-N 3.24Å; K485-G490 PolarHBondContact O-N 3.08Å; K485-L493 HydrophobicContact CB-CD1 3.99Å
486S92.3Very high93.5Very high68 Ų6843.7 Ų43.748%0.47624%0.238SC..Hα-helixtrans-77.1-33.318065.50000112.2H482 Y483H482-S486 WeakPolarHBondContact O-CB 3.4Å; H482-S486 PolarHBondContact O-N 3.35Å; H482-S486 PolarHBondContact O-OG 3.47Å; H482-S486 VanDerWaalsContact O-OG 3.06Å; Y483-S486 PolarHBondContact O-N 3.23Å; Y483-S486 PolarHBondContact O-OG 2.95Å
487H86.1Confident92.9Very high22 Ų2242.4 Ų42.410%0.10224%0.236CC..G310 helixtrans-84.7139.9178.8-71.970.9000112.2E470 Y483 N489 G490E470-H487 VanDerWaalsContact CD-CE1 3.44Å; E470-H487 IonicContact OE1-CE1 3.61Å; E470-H487 PolarHBondContact OE1-CE1 3.49Å; E470-H487 IonicContact OE1-NE2 3.03Å; E470-H487 IonicContact OE2-CE1 2.73Å; E470-H487 IonicContact OE2-NE2 2.75Å; E470-H487 PolarHBondContact OE2-NE2 3.38Å; Y483-H487 AromaticContact CD2-CE1 3.61Å; Y483-H487 AromaticContact CD2-ND1 3.71Å; Y483-H487 AromaticContact CE2-CE1 3.3Å; Y483-H487 WeakPolarHBondContact CE2-CE1 3.39Å; Y483-H487 AromaticContact CE2-ND1 3.64Å; Y483-H487 AromaticContact CE2-NE2 3.62Å; Y483-H487 AromaticContact CZ-CE1 3.92Å; Y483-H487 AromaticContact CZ-ND1 3.97Å; Y483-H487 AromaticContact CZ-NE2 3.94Å; Y483-H487 WeakPolarHBondContact O-CB 3.49Å; Y483-H487 PolarHBondContact O-N 2.97Å; Y483-H487 PolarHBondContact O-ND1 2.91Å; H487-N489 PolarHBondContact O-N 2.9Å; H487-G490 PolarHBondContact O-N 3.12Å; H487-G490 VanDerWaalsContact O-N 3.08Å
488F81.7Confident92.2Very high51 Ų5143.2 Ų43.222%0.22424%0.239CC..G310 helixtrans50.334.6176-47.9-67000114.3Q462 K465 L466 G490 S491Q462-F488 HydrophobicContact CB-CE1 4.13Å; Q462-F488 HydrophobicContact CB-CE2 3.84Å; Q462-F488 HydrophobicContact CB-CZ 3.48Å; Q462-F488 VanDerWaalsContact CB-CZ 3.48Å; Q462-F488 HydrophobicContact CG-CD1 4.43Å; Q462-F488 HydrophobicContact CG-CD2 4.4Å; Q462-F488 HydrophobicContact CG-CE1 3.97Å; Q462-F488 HydrophobicContact CG-CE2 3.91Å; Q462-F488 HydrophobicContact CG-CZ 3.7Å; K465-F488 HydrophobicContact CB-CE1 4.17Å; K465-F488 HydrophobicContact CB-CZ 4.21Å; K465-F488 HydrophobicContact CD-CE1 3.71Å; K465-F488 HydrophobicContact CD-CZ 4.47Å; L466-F488 HydrophobicContact CD2-CE2 3.69Å; L466-F488 HydrophobicContact CD2-CZ 3.61Å; F488-G490 PolarHBondContact O-N 2.91Å; F488-G490 VanDerWaalsContact O-N 3.15Å; F488-S491 VanDerWaalsContact CB-OG 3.28Å; F488-S491 WeakPolarHBondContact CB-OG 3.09Å; F488-S491 VanDerWaalsContact O-CB 3.32Å; F488-S491 WeakPolarHBondContact O-CB 3.2Å; F488-S491 PolarHBondContact O-N 3.48Å; F488-S491 PolarHBondContact O-OG 3.43Å
489N84.9Confident91.3Very high164 Ų16444.3 Ų44.388%0.87725%0.246SC*.G310 helixtrans53.132-178.9-60.1-14.5000113.9H487 S491H487-N489 PolarHBondContact O-N 2.9Å; N489-S491 VanDerWaalsContact C-N 3.26Å; N489-S491 PolarHBondContact O-N 2.97Å
490G89.3Confident90.4Very high19 Ų1946 Ų4620%0.19625%0.253CS..G310 helixtrans76.94.6-179.500000115.1F484 K485 H487 F488 C492 L493F484-G490 WeakPolarHBondContact O-CA 3.38Å; K485-G490 PolarHBondContact O-N 3.08Å; H487-G490 PolarHBondContact O-N 3.12Å; H487-G490 VanDerWaalsContact O-N 3.08Å; F488-G490 PolarHBondContact O-N 2.91Å; F488-G490 VanDerWaalsContact O-N 3.15Å; G490-C492 PolarHBondContact O-N 3.46Å; G490-C492 VanDerWaalsContact O-N 3.15Å; G490-L493 WeakPolarHBondContact O-CB 3.45Å; G490-L493 PolarHBondContact O-N 3.12Å
491S91Very high89.7Confident55 Ų5546 Ų4639%0.38525%0.254SS..THydrogen-bonded Turntrans-63.7-18.2-179.658.10000114F488 N489F488-S491 VanDerWaalsContact CB-OG 3.28Å; F488-S491 WeakPolarHBondContact CB-OG 3.09Å; F488-S491 VanDerWaalsContact O-CB 3.32Å; F488-S491 WeakPolarHBondContact O-CB 3.2Å; F488-S491 PolarHBondContact O-N 3.48Å; F488-S491 PolarHBondContact O-OG 3.43Å; N489-S491 VanDerWaalsContact C-N 3.26Å; N489-S491 PolarHBondContact O-N 2.97Å
492C94.4Very high89.2Confident2 Ų246.1 Ų46.11%0.01426%0.255CS..THydrogen-bonded Turntrans-85.3-11.9174.1-67.30000113.9A456 L457 Q462 F484 G490A456-C492 CarbonylContact C-O 3.51Å; A456-C492 VanDerWaalsContact CA-O 3.23Å; A456-C492 WeakPolarHBondContact CA-O 3.35Å; L457-C492 PolarHBondContact N-O 3.43Å; L457-C492 VanDerWaalsContact O-CB 3.31Å; L457-C492 WeakPolarHBondContact O-CB 3.49Å; Q462-C492 PolarHBondContact NE2-SG 3.42Å; F484-C492 HydrophobicContact CD1-CB 3.71Å; F484-C492 HydrophobicContact CE1-CB 4.38Å; G490-C492 PolarHBondContact O-N 3.46Å; G490-C492 VanDerWaalsContact O-N 3.15Å
493L96.5Very high88.9Confident13 Ų1342.7 Ų42.77%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-82.3123172.3-72.5173.2000109.3Q406 A453 Y481 F484 K485 G490 K495Q406-L493 HydrophobicContact CG-CD2 4.45Å; A453-L493 HydrophobicContact CB-CB 4.28Å; A453-L493 HydrophobicContact CB-CD2 4Å; Y481-L493 HydrophobicContact CD2-CD1 4.23Å; Y481-L493 HydrophobicContact CD2-CD2 4.14Å; Y481-L493 HydrophobicContact CE2-CD1 3.9Å; Y481-L493 HydrophobicContact CE2-CD2 4.42Å; F484-L493 HydrophobicContact CB-CD1 4.44Å; F484-L493 HydrophobicContact CB-CD2 3.58Å; F484-L493 HydrophobicContact CB-CG 3.66Å; F484-L493 HydrophobicContact CD2-CD2 4.46Å; F484-L493 HydrophobicContact CG-CD2 4.35Å; K485-L493 HydrophobicContact CB-CD1 3.99Å; G490-L493 WeakPolarHBondContact O-CB 3.45Å; G490-L493 PolarHBondContact O-N 3.12Å; L493-K495 HydrophobicContact CB-CG 4.36Å; L493-K495 PolarHBondContact O-N 2.83Å
494V96.4Very high88.6Confident6 Ų642.8 Ų42.84%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-88101.2177.7177.70000109.5L17 L442 A453 A454 G455 L457 V496L17-V494 HydrophobicContact CD2-CB 4.42Å; L17-V494 HydrophobicContact CD2-CG1 3.56Å; L17-V494 HydrophobicContact CD2-CG2 3.98Å; L442-V494 HydrophobicContact CD1-CG1 4.4Å; L442-V494 HydrophobicContact CD2-CB 3.48Å; L442-V494 VanDerWaalsContact CD2-CB 3.48Å; L442-V494 HydrophobicContact CD2-CG1 3.82Å; L442-V494 HydrophobicContact CD2-CG2 3.5Å; L442-V494 VanDerWaalsContact CD2-CG2 3.5Å; A453-V494 CarbonylContact C-O 3.57Å; A453-V494 WeakPolarHBondContact CA-O 3.4Å; A454-V494 HydrophobicContact CB-CG1 4.48Å; A454-V494 PolarHBondContact N-O 3.46Å; G455-V494 PolarHBondContact O-N 2.87Å; L457-V494 HydrophobicContact CD2-CG2 3.84Å; L457-V494 HydrophobicContact CG-CG2 4.38Å; V494-V496 HydrophobicContact CG1-CG1 3.92Å
495K93.4Very high88.6Confident104 Ų10442.8 Ų42.845%0.45224%0.24SC..  trans-105.583.5-179.6-60.2-170.7178-163.80110.7D452 A453 Y481 L493D452-K495 VanDerWaalsContact CG-NZ 3.29Å; D452-K495 VanDerWaalsContact OD1-CE 3.25Å; D452-K495 WeakPolarHBondContact OD1-CE 3.06Å; D452-K495 IonicContact OD1-NZ 3.49Å; D452-K495 PolarHBondContact OD1-NZ 3.04Å; D452-K495 VanDerWaalsContact OD1-NZ 3.08Å; D452-K495 WeakPolarHBondContact OD2-CE 3.23Å; D452-K495 IonicContact OD2-NZ 2.94Å; D452-K495 PolarHBondContact OD2-NZ 3.34Å; A453-K495 HydrophobicContact CB-CG 4.16Å; Y481-K495 PolarHBondContact OH-NZ 2.9Å; L493-K495 HydrophobicContact CB-CG 4.36Å; L493-K495 PolarHBondContact O-N 2.83Å
496V89.8Confident88.7Confident50 Ų5037.5 Ų37.530%0.30322%0.217SC..  trans-87.1-6.7177.2-70.90000113.4F20 A454 V494 T499F20-V496 HydrophobicContact CD1-CG1 4.37Å; F20-V496 HydrophobicContact CE1-CG1 4.19Å; F20-V496 HydrophobicContact CE1-CG2 3.97Å; A454-V496 HydrophobicContact CB-CG2 3.86Å; V494-V496 HydrophobicContact CG1-CG1 3.92Å; V496-T499 HydrophobicContact CG2-CG2 4.26Å
497G84.9Confident89Confident39 Ų3934.3 Ų34.340%0.40219%0.194SC..  trans71.1-180-16500000110.9G446 T499G446-G497 WeakPolarHBondContact CA-O 3.24Å; G497-T499 PolarHBondContact O-N 3.11Å
498L80.2Confident89.6Confident85 Ų8533.3 Ų33.345%0.44519%0.19SC..  trans-73.4130.8177.4-63.4171.5000109.9R98 D445 Q447 E500R98-L498 HydrophobicContact CG-CD1 4.26Å; D445-L498 WeakPolarHBondContact O-CD2 3.25Å; Q447-L498 HydrophobicContact CB-CD2 3.89Å; L498-E500 VanDerWaalsContact C-N 3.3Å
499T80.2Confident90.4Very high32 Ų3231 Ų3120%0.19618%0.179CC..  trans-87.2-6.4-178.559.40000112.6C24 T444 D445 V496 G497 T501C24-T499 HydrophobicContact CB-CG2 4.34Å; T444-T499 WeakPolarHBondContact O-CB 3.32Å; T444-T499 WeakPolarHBondContact O-CG2 3.3Å; T444-T499 PolarHBondContact O-OG1 3.21Å; D445-T499 VanDerWaalsContact C-OG1 3.31Å; D445-T499 VanDerWaalsContact CA-OG1 3.3Å; D445-T499 WeakPolarHBondContact CA-OG1 3.31Å; D445-T499 PolarHBondContact O-N 3.46Å; D445-T499 PolarHBondContact O-OG1 3.48Å; V496-T499 HydrophobicContact CG2-CG2 4.26Å; G497-T499 PolarHBondContact O-N 3.11Å; T499-T501 PolarHBondContact O-N 3.03Å; T499-T501 WeakPolarHBondContact OG1-CG2 3.48Å; T499-T501 PolarHBondContact OG1-N 3Å
500E76.8Confident91Very high57 Ų5723.1 Ų23.127%0.26614%0.138SC..SBendtrans58.95.6-171.1-55.8-174.2140.800115.2P29 A68 S71 R74 L498P29-E500 WeakPolarHBondContact CG-O 3.41Å; A68-E500 WeakPolarHBondContact CB-O 3.33Å; S71-E500 PolarHBondContact OG-OE2 3.47Å; R74-E500 IonicContact CZ-OE2 4Å; R74-E500 IonicContact NH2-OE1 3.2Å; R74-E500 PolarHBondContact NH2-OE1 2.93Å; R74-E500 IonicContact NH2-OE2 3.9Å; R74-E500 PolarHBondContact NH2-OE2 2.98Å; L498-E500 VanDerWaalsContact C-N 3.3Å
501T83.6Confident91.3Very high2 Ų222.3 Ų22.31%0.01213%0.129CC..  trans-106.6168.3171.8-165.20000110.7V27 T444 D445 T499V27-T501 HydrophobicContact CG2-CG2 4Å; V27-T501 WeakPolarHBondContact O-CB 3.36Å; V27-T501 PolarHBondContact O-OG1 3.25Å; T444-T501 WeakPolarHBondContact O-CG2 3.4Å; D445-T501 WeakPolarHBondContact CA-O 3.21Å; D445-T501 WeakPolarHBondContact CB-O 3.34Å; T499-T501 PolarHBondContact O-N 3.03Å; T499-T501 WeakPolarHBondContact OG1-CG2 3.48Å; T499-T501 PolarHBondContact OG1-N 3Å
502N86.4Confident91.4Very high11 Ų1121 Ų216%0.05912%0.116CC..  trans-156.6110.4165.6-177.522.5000108.1D232 D445 M504D232-N502 WeakPolarHBondContact CB-O 3.45Å; D232-N502 PolarHBondContact OD2-ND2 3.48Å; D445-N502 HydrophobicContact CB-CB 4Å; N502-M504 PolarHBondContact OD1-N 3.5Å
503V90.5Very high91Very high0 Ų023.7 Ų23.70%013%0.133CC..  trans-132.542.8173.1-62.20000109.6V27 I230 N301 A304 T444V27-V503 HydrophobicContact CB-CG1 4.26Å; V27-V503 HydrophobicContact CB-CG2 4.41Å; V27-V503 HydrophobicContact CG1-CG1 4.39Å; V27-V503 HydrophobicContact CG1-CG2 4.38Å; V27-V503 HydrophobicContact CG2-CG1 4.36Å; V27-V503 HydrophobicContact CG2-CG2 3.77Å; I230-V503 HydrophobicContact CG2-CG1 3.76Å; N301-V503 HydrophobicContact CB-CB 4.45Å; N301-V503 VanDerWaalsContact CB-O 3.24Å; N301-V503 WeakPolarHBondContact CB-O 3.32Å; N301-V503 PolarHBondContact ND2-O 3.2Å; A304-V503 HydrophobicContact CB-CG2 3.88Å; T444-V503 HydrophobicContact CG2-CG2 3.86Å; T444-V503 PolarHBondContact OG1-N 3.26Å
504M91.3Very high90.7Very high3 Ų324.2 Ų24.22%0.01514%0.136CC..  trans71-153.4-178.4-48.8177.7-72.500114.1D232 M234 N301 G390 E391 T444 N502D232-M504 HydrophobicContact CB-CG 4.21Å; D232-M504 WeakPolarHBondContact O-CG 3.36Å; D232-M504 VanDerWaalsContact O-SD 3.4Å; M234-M504 HydrophobicContact CB-SD 4.2Å; M234-M504 HydrophobicContact CG-CE 4.12Å; M234-M504 HydrophobicContact CG-SD 3.37Å; M234-M504 WeakPolarHBondContact CG-SD 3.46Å; N301-M504 HydrophobicContact CB-CE 3.35Å; G390-M504 VanDerWaalsContact O-CB 3.26Å; G390-M504 WeakPolarHBondContact O-CB 3.47Å; E391-M504 HydrophobicContact CB-CB 4.32Å; E391-M504 HydrophobicContact CB-CG 4.38Å; E391-M504 HydrophobicContact CB-SD 4.29Å; E391-M504 WeakPolarHBondContact OE2-CA 3.24Å; E391-M504 WeakPolarHBondContact OE2-CB 3.39Å; T444-M504 WeakPolarHBondContact CB-O 3.48Å; T444-M504 VanDerWaalsContact CG2-O 3.3Å; T444-M504 WeakPolarHBondContact CG2-O 3.23Å; T444-M504 PolarHBondContact N-O 3.31Å; T444-M504 PolarHBondContact OG1-N 2.99Å; T444-M504 PolarHBondContact OG1-O 3.17Å; N502-M504 PolarHBondContact OD1-N 3.5Å
505D95.1Very high90.4Very high3 Ų325.2 Ų25.22%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-100157.8-178.7-52.8-40.9000112.7N301 G389 G390 E391 R404 N405 L442 A443N301-D505 PolarHBondContact ND2-O 2.75Å; N301-D505 VanDerWaalsContact ND2-O 3.11Å; G389-D505 WeakPolarHBondContact CA-O 3.47Å; G390-D505 PolarHBondContact N-O 2.88Å; G390-D505 WeakPolarHBondContact O-CA 3.46Å; G390-D505 WeakPolarHBondContact O-CB 3.46Å; G390-D505 PolarHBondContact O-N 2.76Å; E391-D505 PolarHBondContact OE2-N 3.26Å; R404-D505 VanDerWaalsContact CD-OD2 3.28Å; R404-D505 WeakPolarHBondContact CD-OD2 3.39Å; R404-D505 IonicContact CZ-OD1 3.35Å; R404-D505 IonicContact CZ-OD2 3.76Å; R404-D505 VanDerWaalsContact NE-CG 3.31Å; R404-D505 IonicContact NE-OD1 2.72Å; R404-D505 PolarHBondContact NE-OD1 3.24Å; R404-D505 VanDerWaalsContact NE-OD1 3.08Å; R404-D505 IonicContact NE-OD2 2.88Å; R404-D505 PolarHBondContact NE-OD2 3.44Å; R404-D505 IonicContact NH2-OD1 3.27Å; R404-D505 PolarHBondContact NH2-OD1 2.8Å; R404-D505 IonicContact NH2-OD2 3.87Å; N405-D505 VanDerWaalsContact ND2-CG 3.33Å; N405-D505 PolarHBondContact ND2-OD1 3.34Å; N405-D505 WeakPolarHBondContact OD1-CB 3.29Å; N405-D505 VanDerWaalsContact OD1-CG 3.29Å; L442-D505 WeakPolarHBondContact O-CA 2.96Å; A443-D505 WeakPolarHBondContact CA-OD1 3.43Å
506L97.9Very high90.3Very high2 Ų220.8 Ų20.81%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-121.8127.5168.1-60.4175.8000109.7F20 A23 A304 L305 W388 S441 L442 T444 L508F20-L506 HydrophobicContact CD2-CD1 4.04Å; F20-L506 HydrophobicContact CE2-CD1 4.22Å; A23-L506 HydrophobicContact CB-CD1 3.39Å; A304-L506 HydrophobicContact CB-CD1 4.43Å; A304-L506 HydrophobicContact CB-CD2 4.46Å; L305-L506 HydrophobicContact CD2-CD2 3.6Å; L305-L506 HydrophobicContact CG-CD2 3.79Å; W388-L506 WeakPolarHBondContact O-CA 3.44Å; S441-L506 WeakPolarHBondContact CA-O 3.38Å; L442-L506 PolarHBondContact N-O 3.36Å; L442-L506 PolarHBondContact O-N 2.86Å; T444-L506 HydrophobicContact CG2-CD1 3.91Å; T444-L506 HydrophobicContact CG2-CG 3.83Å; L506-L508 HydrophobicContact CB-CD1 4.05Å
507V98.5Very high90.3Very high1 Ų119.1 Ų19.11%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-107.4127.8171.7-176.50000108.9L326 F337 L387 W388 L408 F439 S440L326-V507 HydrophobicContact CD2-CB 4.47Å; L326-V507 HydrophobicContact CD2-CG2 3.56Å; F337-V507 HydrophobicContact CE1-CG1 4.19Å; F337-V507 HydrophobicContact CE2-CG1 4.05Å; F337-V507 HydrophobicContact CE2-CG2 4.48Å; F337-V507 HydrophobicContact CZ-CB 4.29Å; F337-V507 HydrophobicContact CZ-CG1 3.82Å; F337-V507 HydrophobicContact CZ-CG2 4.5Å; L387-V507 WeakPolarHBondContact CA-O 3.5Å; W388-V507 HydrophobicContact CB-CB 4.2Å; W388-V507 HydrophobicContact CE3-CG1 4.48Å; W388-V507 PolarHBondContact N-O 3.39Å; W388-V507 PolarHBondContact O-N 2.9Å; L408-V507 HydrophobicContact CD1-CG2 4.26Å; F439-V507 HydrophobicContact CD2-CG1 4.44Å; F439-V507 HydrophobicContact CE2-CG1 3.56Å; F439-V507 HydrophobicContact CZ-CG1 3.79Å; S440-V507 CarbonylContact O-C 3.58Å; S440-V507 VanDerWaalsContact O-CA 3.26Å; S440-V507 WeakPolarHBondContact O-CA 3.43Å; S440-V507 WeakPolarHBondContact O-CG1 3.44Å
508L98.5Very high90.6Very high1 Ų117.8 Ų17.81%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-123.4128.6-178.4-57.385000109.9I19 L387 F439 S440 L506I19-L508 HydrophobicContact CB-CD2 4.07Å; I19-L508 HydrophobicContact CG2-CD2 3.51Å; L387-L508 HydrophobicContact CD2-CB 4.21Å; L387-L508 HydrophobicContact CD2-CD2 3.71Å; L387-L508 HydrophobicContact CD2-CG 3.55Å; F439-L508 WeakPolarHBondContact CA-O 3.16Å; S440-L508 PolarHBondContact N-O 2.74Å; S440-L508 PolarHBondContact O-N 3.37Å; L506-L508 HydrophobicContact CB-CD1 4.05Å
509L98Very high91.3Very high1 Ų113.3 Ų13.31%0.0057%0.072CC..EExtended strand (participates in β ladder)trans-118.4110.8169.9174.862000108.1L341 L386 W388 F437 T438 F439 L511L341-L509 HydrophobicContact CB-CD2 4.36Å; L341-L509 HydrophobicContact CD1-CD1 4.18Å; L341-L509 HydrophobicContact CD1-CD2 4.03Å; L341-L509 HydrophobicContact CD2-CD1 4.22Å; L386-L509 HydrophobicContact CB-CB 4.33Å; L386-L509 HydrophobicContact CD1-CD2 4.19Å; L386-L509 PolarHBondContact N-O 2.77Å; L386-L509 PolarHBondContact O-N 3.48Å; W388-L509 HydrophobicContact CH2-CB 4.5Å; W388-L509 HydrophobicContact CH2-CD2 4.37Å; W388-L509 HydrophobicContact CZ3-CB 3.94Å; F437-L509 HydrophobicContact CD2-CD1 4.47Å; T438-L509 WeakPolarHBondContact O-CA 3.3Å; T438-L509 WeakPolarHBondContact O-CD1 3.29Å; F439-L509 HydrophobicContact CB-CD1 4.47Å; F439-L509 HydrophobicContact CD2-CB 4.31Å; F439-L509 HydrophobicContact CD2-CD1 4.24Å; L509-L511 HydrophobicContact CD1-CD2 4.29Å; L509-L511 HydrophobicContact CG-CD2 4.43Å
510T97.4Very high92.1Very high0 Ų012 Ų120%06%0.063CC..EExtended strand (participates in β ladder)trans-108.8136.6176.976.20000110.8F317 T384 C385 F437 T438 Y512F317-T510 HydrophobicContact CE1-CG2 4.44Å; F317-T510 HydrophobicContact CZ-CG2 4.42Å; T384-T510 CarbonylContact O-C 3.53Å; T384-T510 VanDerWaalsContact O-CA 3.31Å; T384-T510 WeakPolarHBondContact O-CA 3.23Å; C385-T510 HydrophobicContact CB-CG2 4.14Å; F437-T510 CarbonylContact C-O 3.41Å; F437-T510 WeakPolarHBondContact CA-O 3.45Å; F437-T510 WeakPolarHBondContact CB-O 3.41Å; T438-T510 PolarHBondContact N-O 3.43Å; T438-T510 PolarHBondContact O-N 3.35Å; T438-T510 PolarHBondContact OG1-OG1 3.47Å; T510-Y512 WeakPolarHBondContact OG1-CE2 3.36Å; T510-Y512 VanDerWaalsContact OG1-CZ 3.27Å; T510-Y512 PolarHBondContact OG1-OH 3.02Å
511L95.3Very high93.3Very high1 Ų18.5 Ų8.51%0.0055%0.048CC..EExtended strand (participates in β ladder)trans-121128.9-175-58.5172.6000108.8L341 L345 L378 S383 T384 W429 F437 L509 P513L341-L511 HydrophobicContact CD1-CD2 3.6Å; L345-L511 HydrophobicContact CD2-CD1 4.34Å; L378-L511 HydrophobicContact CD2-CD1 3.38Å; S383-L511 CarbonylContact C-O 3.52Å; S383-L511 VanDerWaalsContact CA-O 3.25Å; S383-L511 WeakPolarHBondContact CA-O 3.21Å; T384-L511 PolarHBondContact N-O 3.47Å; T384-L511 PolarHBondContact O-N 3.03Å; W429-L511 HydrophobicContact CE3-CD2 4.43Å; W429-L511 HydrophobicContact CH2-CB 3.99Å; W429-L511 HydrophobicContact CH2-CD2 4.43Å; W429-L511 HydrophobicContact CZ3-CB 3.88Å; W429-L511 HydrophobicContact CZ3-CD2 3.9Å; W429-L511 HydrophobicContact CZ3-CG 4.47Å; F437-L511 HydrophobicContact CB-CD2 3.61Å; L509-L511 HydrophobicContact CD1-CD2 4.29Å; L509-L511 HydrophobicContact CG-CD2 4.43Å; L511-P513 WeakPolarHBondContact O-CD 3.49Å
512Y93.3Very high94.1Very high28 Ų289.1 Ų9.111%0.115%0.051CC..EExtended strand (participates in β ladder)trans-120.284.7179.7-52.5-96.1000106.7H12 F317 S435 Y436 T438 T510H12-Y512 HydrophobicContact CB-CE1 4.38Å; H12-Y512 HydrophobicContact CB-CE2 4.07Å; H12-Y512 AromaticContact CD2-CD1 3.67Å; H12-Y512 AromaticContact CD2-CE1 3.31Å; H12-Y512 WeakPolarHBondContact CD2-CE1 3.38Å; H12-Y512 AromaticContact CD2-CZ 3.59Å; H12-Y512 AromaticContact CE1-CD1 3.68Å; H12-Y512 AromaticContact CE1-CD2 3.68Å; H12-Y512 AromaticContact CE1-CE1 4Å; H12-Y512 AromaticContact CE1-CG 3.5Å; H12-Y512 AromaticContact CG-CE1 3.71Å; H12-Y512 AromaticContact CG-CE2 3.71Å; H12-Y512 AromaticContact CG-CZ 3.47Å; H12-Y512 VanDerWaalsContact CG-CZ 3.47Å; H12-Y512 AromaticContact ND1-CD2 3.68Å; H12-Y512 AromaticContact ND1-CE2 3.63Å; H12-Y512 AromaticContact ND1-CG 3.97Å; H12-Y512 AromaticContact ND1-CZ 3.86Å; H12-Y512 AromaticContact NE2-CD1 3.35Å; H12-Y512 WeakPolarHBondContact NE2-CD1 3.28Å; H12-Y512 AromaticContact NE2-CE1 3.55Å; H12-Y512 AromaticContact NE2-CG 3.7Å; F317-Y512 HydrophobicContact CE1-CD1 4.29Å; F317-Y512 AromaticContact CE1-CE1 3.78Å; F317-Y512 HydrophobicContact CE1-CE1 3.78Å; F317-Y512 AromaticContact CE1-CZ 3.98Å; F317-Y512 HydrophobicContact CZ-CD1 4.36Å; F317-Y512 AromaticContact CZ-CE1 3.46Å; F317-Y512 HydrophobicContact CZ-CE1 3.46Å; F317-Y512 VanDerWaalsContact CZ-CE1 3.46Å; F317-Y512 AromaticContact CZ-CZ 3.65Å; F317-Y512 WeakPolarHBondContact CZ-OH 3.31Å; S435-Y512 CarbonylContact C-O 3.48Å; S435-Y512 WeakPolarHBondContact CA-O 3.38Å; S435-Y512 WeakPolarHBondContact CB-O 3.47Å; Y436-Y512 PolarHBondContact N-O 3.07Å; Y436-Y512 WeakPolarHBondContact O-CD2 3.29Å; Y436-Y512 PolarHBondContact O-N 3.18Å; T438-Y512 HydrophobicContact CG2-CE2 4.15Å; T510-Y512 WeakPolarHBondContact OG1-CE2 3.36Å; T510-Y512 VanDerWaalsContact OG1-CZ 3.27Å; T510-Y512 PolarHBondContact OG1-OH 3.02Å
513P86.9Confident94.8Very high58 Ų588.9 Ų8.938%0.3775%0.05SC..  trans-69.60-17727-33.4000113.8K381 W429 S435 L511K381-P513 HydrophobicContact CB-CB 4.09Å; K381-P513 HydrophobicContact CB-CG 4.3Å; K381-P513 VanDerWaalsContact O-CG 3.24Å; K381-P513 WeakPolarHBondContact O-CG 3.32Å; W429-P513 HydrophobicContact CH2-CB 3.84Å; W429-P513 HydrophobicContact CZ2-CB 4.11Å; S435-P513 WeakPolarHBondContact CB-OXT 3.43Å; S435-P513 PolarHBondContact OG-OXT 2.99Å; L511-P513 WeakPolarHBondContact O-CD 3.49Å

Retrieved 513 of 513 residues in 1185.5 ms (Link to these results)

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