A0A087XEL1_POEFO Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A087XEL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 940 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
1M87.4Confident89Confident43 Ų4350.6 Ų50.621%0.21228%0.277CS..  0-65.70-147.653-105.500110.9S3 C4 I5 L20 L23 V29 F33M1-S3 PolarHBondContact O-N 2.95Å; M1-C4 HydrophobicContact CE-CB 4.04Å; M1-C4 WeakPolarHBondContact O-CB 3.47Å; M1-C4 PolarHBondContact O-N 3.43Å; M1-I5 HydrophobicContact CE-CD1 4.21Å; M1-I5 HydrophobicContact CE-CG1 3.96Å; M1-I5 HydrophobicContact CG-CD1 4.49Å; M1-I5 PolarHBondContact O-N 3.11Å; M1-L20 HydrophobicContact CE-CB 3.89Å; M1-L20 HydrophobicContact CE-CD1 3.45Å; M1-L20 VanDerWaalsContact CE-CD1 3.45Å; M1-L20 HydrophobicContact CE-CG 3.43Å; M1-L20 VanDerWaalsContact CE-CG 3.43Å; M1-L23 HydrophobicContact SD-CB 4.12Å; M1-L23 HydrophobicContact SD-CD1 3.74Å; M1-V29 HydrophobicContact CG-CG1 4.08Å; M1-V29 HydrophobicContact SD-CG1 4.12Å; M1-F33 HydrophobicContact CB-CD1 3.85Å; M1-F33 HydrophobicContact CB-CD2 4.28Å; M1-F33 HydrophobicContact CB-CE1 3.68Å; M1-F33 HydrophobicContact CB-CE2 4.12Å; M1-F33 HydrophobicContact CB-CG 4.17Å; M1-F33 HydrophobicContact CB-CZ 3.83Å; M1-F33 HydrophobicContact CG-CB 4Å; M1-F33 HydrophobicContact CG-CD1 3.29Å; M1-F33 HydrophobicContact CG-CD2 3.95Å; M1-F33 HydrophobicContact CG-CE1 3.69Å; M1-F33 HydrophobicContact CG-CE2 4.28Å; M1-F33 HydrophobicContact CG-CG 3.45Å; M1-F33 VanDerWaalsContact CG-CG 3.45Å; M1-F33 HydrophobicContact CG-CZ 4.18Å
2D89.2Confident88.7Confident48 Ų4855.3 Ų55.326%0.25730%0.296SS..Hα-helixtrans-45.6-56.6-178.3-72.5-42.3000114.6C4 I5 S6 F33 H35 S36D2-C4 PolarHBondContact O-N 3.49Å; D2-C4 VanDerWaalsContact O-N 3.13Å; D2-I5 PolarHBondContact O-N 3.27Å; D2-S6 PolarHBondContact O-N 3.38Å; D2-S6 PolarHBondContact O-OG 3.34Å; D2-F33 WeakPolarHBondContact OD1-CE1 3.1Å; D2-H35 PolarHBondContact O-CD2 3.4Å; D2-H35 VanDerWaalsContact OD1-CA 3.26Å; D2-H35 WeakPolarHBondContact OD1-CA 3.29Å; D2-H35 IonicContact OD1-CD2 2.65Å; D2-H35 PolarHBondContact OD1-CD2 3.04Å; D2-H35 VanDerWaalsContact OD1-CD2 3.27Å; D2-H35 IonicContact OD1-CG 2.7Å; D2-H35 IonicContact OD1-NE2 3.23Å; D2-S36 PolarHBondContact OD1-N 2.8Å; D2-S36 PolarHBondContact OD1-OG 2.8Å; D2-S36 WeakPolarHBondContact OD2-CB 3.47Å; D2-S36 PolarHBondContact OD2-OG 2.92Å
3S90.3Very high88.5Confident93 Ų9355.1 Ų55.165%0.6530%0.295SS*.Hα-helixtrans-50.7-38.2177.7-175.20000114.1M1 S6 S7M1-S3 PolarHBondContact O-N 2.95Å; S3-S6 PolarHBondContact O-N 3.29Å; S3-S7 WeakPolarHBondContact O-CB 3.46Å; S3-S7 PolarHBondContact O-N 2.93Å
4C89.3Confident88.1Confident5 Ų559.7 Ų59.73%0.03431%0.314CS..Hα-helixtrans-67.9-44.5178.8-44.10000110.8M1 D2 S7 I8 A16 Q19 L20M1-C4 HydrophobicContact CE-CB 4.04Å; M1-C4 WeakPolarHBondContact O-CB 3.47Å; M1-C4 PolarHBondContact O-N 3.43Å; D2-C4 PolarHBondContact O-N 3.49Å; D2-C4 VanDerWaalsContact O-N 3.13Å; C4-S7 PolarHBondContact O-N 3.16Å; C4-I8 WeakPolarHBondContact O-CB 3.47Å; C4-I8 WeakPolarHBondContact O-CD1 3.42Å; C4-I8 WeakPolarHBondContact O-CG1 3.49Å; C4-I8 PolarHBondContact O-N 3.26Å; C4-A16 HydrophobicContact CB-CB 4.49Å; C4-Q19 PolarHBondContact SG-OE1 3.36Å; C4-L20 HydrophobicContact CB-CB 4.42Å
5I90.6Very high87.9Confident4 Ų466.7 Ų66.72%0.02134%0.344CS..Hα-helixtrans-65.2-40.7177.8-61.7174.4000110.3M1 D2 F9 L20 F33 H35 V45M1-I5 HydrophobicContact CE-CD1 4.21Å; M1-I5 HydrophobicContact CE-CG1 3.96Å; M1-I5 HydrophobicContact CG-CD1 4.49Å; M1-I5 PolarHBondContact O-N 3.11Å; D2-I5 PolarHBondContact O-N 3.27Å; I5-F9 WeakPolarHBondContact O-CB 3.24Å; I5-F9 PolarHBondContact O-N 2.79Å; I5-L20 HydrophobicContact CG1-CD1 4.26Å; I5-F33 HydrophobicContact CD1-CD1 3.87Å; I5-F33 HydrophobicContact CD1-CE1 4.44Å; I5-H35 HydrophobicContact CD1-CB 4.48Å; I5-H35 HydrophobicContact CG2-CB 4.12Å; I5-V45 HydrophobicContact CG2-CG1 3.74Å; I5-V45 HydrophobicContact CG2-CG2 4Å
6S90.4Very high88Confident36 Ų3662.8 Ų62.825%0.25232%0.324SS..Hα-helixtrans-62.8-45.4172.4-60.80000112.8D2 S3 F9 L10 H35D2-S6 PolarHBondContact O-N 3.38Å; D2-S6 PolarHBondContact O-OG 3.34Å; S3-S6 PolarHBondContact O-N 3.29Å; S6-F9 PolarHBondContact O-N 2.7Å; S6-L10 VanDerWaalsContact O-CB 3.27Å; S6-L10 WeakPolarHBondContact O-CB 3.21Å; S6-L10 WeakPolarHBondContact O-CG 3.27Å; S6-L10 PolarHBondContact O-N 3.24Å; S6-H35 PolarHBondContact OG-NE2 3.37Å
7S88.6Confident88.2Confident24 Ų2459.2 Ų59.217%0.16831%0.306CS..Hα-helixtrans-63.2-46.3-179.9-158.60000111.4S3 C4 F9 L10 H11 E12 D13S3-S7 WeakPolarHBondContact O-CB 3.46Å; S3-S7 PolarHBondContact O-N 2.93Å; C4-S7 PolarHBondContact O-N 3.16Å; S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 2.92Å; S7-L10 PolarHBondContact O-N 2.78Å; S7-H11 WeakPolarHBondContact O-CA 3.05Å; S7-H11 WeakPolarHBondContact O-CB 3.29Å; S7-H11 PolarHBondContact O-N 3.35Å; S7-E12 PolarHBondContact O-N 3.23Å; S7-D13 WeakPolarHBondContact CB-OD2 3.03Å; S7-D13 VanDerWaalsContact OG-CB 3.23Å; S7-D13 WeakPolarHBondContact OG-CB 3.31Å; S7-D13 PolarHBondContact OG-OD2 3Å
8I91.4Very high88.2Confident0 Ų060.8 Ų60.80%032%0.323CS..Hα-helixtrans-55.9-46.8174.1-69.6162.6000110.9C4 E12 A16 F17 L20 V45 F51C4-I8 WeakPolarHBondContact O-CB 3.47Å; C4-I8 WeakPolarHBondContact O-CD1 3.42Å; C4-I8 WeakPolarHBondContact O-CG1 3.49Å; C4-I8 PolarHBondContact O-N 3.26Å; I8-E12 PolarHBondContact O-N 3.49Å; I8-A16 HydrophobicContact CD1-CB 4.3Å; I8-A16 HydrophobicContact CG1-CB 3.85Å; I8-F17 HydrophobicContact CB-CE2 4.25Å; I8-F17 HydrophobicContact CB-CZ 4.47Å; I8-F17 HydrophobicContact CD1-CD1 3.82Å; I8-F17 HydrophobicContact CD1-CD2 3.86Å; I8-F17 HydrophobicContact CD1-CE1 3.85Å; I8-F17 HydrophobicContact CD1-CE2 3.91Å; I8-F17 HydrophobicContact CD1-CG 3.82Å; I8-F17 HydrophobicContact CD1-CZ 3.91Å; I8-F17 HydrophobicContact CG1-CD2 3.82Å; I8-F17 HydrophobicContact CG1-CE2 3.76Å; I8-F17 HydrophobicContact CG1-CG 4.29Å; I8-F17 HydrophobicContact CG1-CZ 4.17Å; I8-F17 HydrophobicContact CG2-CD2 4.39Å; I8-F17 HydrophobicContact CG2-CE1 4.38Å; I8-F17 HydrophobicContact CG2-CE2 3.48Å; I8-F17 VanDerWaalsContact CG2-CE2 3.48Å; I8-F17 HydrophobicContact CG2-CZ 3.47Å; I8-F17 VanDerWaalsContact CG2-CZ 3.47Å; I8-L20 HydrophobicContact CD1-CD1 3.68Å; I8-V45 HydrophobicContact CB-CG2 4.27Å; I8-V45 HydrophobicContact CG2-CB 4.12Å; I8-V45 HydrophobicContact CG2-CG2 3.65Å; I8-F51 HydrophobicContact CG2-CD2 4.31Å; I8-F51 HydrophobicContact CG2-CE2 4.16Å
9F88.8Confident88.2Confident54 Ų5463.7 Ų63.724%0.23734%0.335CS..Hα-helixtrans-77.1-33-175.7-171.1-105.5000114.3I5 S6 S7 V45 A48 R49 F78 F82I5-F9 WeakPolarHBondContact O-CB 3.24Å; I5-F9 PolarHBondContact O-N 2.79Å; S6-F9 PolarHBondContact O-N 2.7Å; S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 2.92Å; F9-V45 HydrophobicContact CB-CB 4.07Å; F9-V45 HydrophobicContact CB-CG1 3.78Å; F9-V45 HydrophobicContact CD2-CB 4.06Å; F9-V45 HydrophobicContact CD2-CG1 3.81Å; F9-V45 HydrophobicContact CG-CB 4.5Å; F9-V45 HydrophobicContact CG-CG1 4.04Å; F9-A48 HydrophobicContact CD2-CB 4.31Å; F9-A48 HydrophobicContact CE2-CB 3.87Å; F9-R49 VanDerWaalsContact O-CZ 3.25Å; F9-R49 PolarHBondContact O-NE 2.67Å; F9-R49 PolarHBondContact O-NH2 2.86Å; F9-F78 HydrophobicContact CE2-CE1 4.33Å; F9-F82 HydrophobicContact CE2-CE2 4.33Å; F9-F82 HydrophobicContact CE2-CZ 4.37Å; F9-F82 HydrophobicContact CZ-CE2 4.3Å; F9-F82 HydrophobicContact CZ-CZ 4.02Å
10L86.9Confident88.5Confident108 Ų10860.5 Ų60.557%0.56532%0.318SS*.Hα-helixtrans-96.6-32.4-174.5-64.4175.4000113.7S6 S7S6-L10 VanDerWaalsContact O-CB 3.27Å; S6-L10 WeakPolarHBondContact O-CB 3.21Å; S6-L10 WeakPolarHBondContact O-CG 3.27Å; S6-L10 PolarHBondContact O-N 3.24Å; S7-L10 PolarHBondContact O-N 2.78Å
11H85.9Confident88.6Confident142 Ų14258.4 Ų58.466%0.65731%0.306SS*.Hα-helixtrans-119.3-0.4-170.1-56-43.4000114S7 D13S7-H11 WeakPolarHBondContact O-CA 3.05Å; S7-H11 WeakPolarHBondContact O-CB 3.29Å; S7-H11 PolarHBondContact O-N 3.35Å; H11-D13 HydrophobicContact CB-CB 4.5Å; H11-D13 PolarHBondContact O-N 3.06Å
12E86.3Confident88.7Confident107 Ų10760.3 Ų60.350%0.532%0.317SS..  trans56.830-175.7-63.8-177.9169.900112.7S7 I8 Q14 R49 F51S7-E12 PolarHBondContact O-N 3.23Å; I8-E12 PolarHBondContact O-N 3.49Å; E12-Q14 PolarHBondContact O-N 3.46Å; E12-Q14 VanDerWaalsContact O-N 3.11Å; E12-R49 HydrophobicContact CG-CG 4.31Å; E12-R49 WeakPolarHBondContact OE1-CD 3.2Å; E12-R49 IonicContact OE1-CZ 3.41Å; E12-R49 IonicContact OE1-NE 3.31Å; E12-R49 IonicContact OE1-NH1 2.81Å; E12-R49 PolarHBondContact OE1-NH1 3.25Å; E12-F51 HydrophobicContact CB-CZ 4Å
13D85.9Confident88.7Confident52 Ų5260 Ų6028%0.27832%0.315SS..  trans-67.7104.7-176-179.9-5.1000111.9S7 H11 E15 A16S7-D13 WeakPolarHBondContact CB-OD2 3.03Å; S7-D13 VanDerWaalsContact OG-CB 3.23Å; S7-D13 WeakPolarHBondContact OG-CB 3.31Å; S7-D13 PolarHBondContact OG-OD2 3Å; H11-D13 HydrophobicContact CB-CB 4.5Å; H11-D13 PolarHBondContact O-N 3.06Å; D13-E15 WeakPolarHBondContact OD1-CA 3.27Å; D13-E15 PolarHBondContact OD1-N 2.9Å; D13-A16 HydrophobicContact CB-CB 4.06Å; D13-A16 VanDerWaalsContact CG-CB 3.46Å; D13-A16 PolarHBondContact OD1-N 3.48Å; D13-A16 WeakPolarHBondContact OD2-CB 3.49Å
14Q83Confident88.7Confident120 Ų12056.5 Ų56.556%0.56129%0.289SS*.SBendtrans-76.8-21.3177.6-169.2171.8-11.700113E12 F17E12-Q14 PolarHBondContact O-N 3.46Å; E12-Q14 VanDerWaalsContact O-N 3.11Å; Q14-F17 PolarHBondContact O-N 3.19Å
15E85Confident88.6Confident164 Ų16461.7 Ų61.777%0.76632%0.316SS*.Hα-helixtrans-77.4-31.9177.5-63.9-167.2174.700111.5D13 F17 S18 Q19D13-E15 WeakPolarHBondContact OD1-CA 3.27Å; D13-E15 PolarHBondContact OD1-N 2.9Å; E15-F17 PolarHBondContact O-N 3Å; E15-S18 VanDerWaalsContact O-CB 3.29Å; E15-S18 WeakPolarHBondContact O-CB 3.5Å; E15-S18 PolarHBondContact O-N 3.26Å; E15-Q19 PolarHBondContact O-N 3.05Å
16A89.4Confident88.3Confident4 Ų467 Ų673%0.03334%0.344CS..Hα-helixtrans-57.6-26.917100000113.5C4 I8 D13 Q19 L20C4-A16 HydrophobicContact CB-CB 4.49Å; I8-A16 HydrophobicContact CD1-CB 4.3Å; I8-A16 HydrophobicContact CG1-CB 3.85Å; D13-A16 HydrophobicContact CB-CB 4.06Å; D13-A16 VanDerWaalsContact CG-CB 3.46Å; D13-A16 PolarHBondContact OD1-N 3.48Å; D13-A16 WeakPolarHBondContact OD2-CB 3.49Å; A16-Q19 PolarHBondContact O-N 3Å; A16-L20 VanDerWaalsContact O-CB 3.27Å; A16-L20 WeakPolarHBondContact O-CB 3.38Å; A16-L20 PolarHBondContact O-N 2.8Å
17F90.4Very high87.9Confident3 Ų371.8 Ų71.81%0.01336%0.363CS..Hα-helixtrans-65.2-37.4170.6-82.6-78.5000112.6I8 Q14 E15 Q19 L20 F21 F51 Q54 L58I8-F17 HydrophobicContact CB-CE2 4.25Å; I8-F17 HydrophobicContact CB-CZ 4.47Å; I8-F17 HydrophobicContact CD1-CD1 3.82Å; I8-F17 HydrophobicContact CD1-CD2 3.86Å; I8-F17 HydrophobicContact CD1-CE1 3.85Å; I8-F17 HydrophobicContact CD1-CE2 3.91Å; I8-F17 HydrophobicContact CD1-CG 3.82Å; I8-F17 HydrophobicContact CD1-CZ 3.91Å; I8-F17 HydrophobicContact CG1-CD2 3.82Å; I8-F17 HydrophobicContact CG1-CE2 3.76Å; I8-F17 HydrophobicContact CG1-CG 4.29Å; I8-F17 HydrophobicContact CG1-CZ 4.17Å; I8-F17 HydrophobicContact CG2-CD2 4.39Å; I8-F17 HydrophobicContact CG2-CE1 4.38Å; I8-F17 HydrophobicContact CG2-CE2 3.48Å; I8-F17 VanDerWaalsContact CG2-CE2 3.48Å; I8-F17 HydrophobicContact CG2-CZ 3.47Å; I8-F17 VanDerWaalsContact CG2-CZ 3.47Å; Q14-F17 PolarHBondContact O-N 3.19Å; E15-F17 PolarHBondContact O-N 3Å; F17-Q19 VanDerWaalsContact C-N 3.3Å; F17-Q19 PolarHBondContact O-N 3.33Å; F17-L20 HydrophobicContact CD1-CD2 4.38Å; F17-L20 WeakPolarHBondContact O-CB 3.45Å; F17-L20 PolarHBondContact O-N 3.04Å; F17-F21 HydrophobicContact CB-CD2 4.31Å; F17-F21 HydrophobicContact CB-CE2 4.09Å; F17-F21 AromaticContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CZ 4.29Å; F17-F21 HydrophobicContact CG-CE2 4.47Å; F17-F21 WeakPolarHBondContact O-CD2 3.28Å; F17-F21 PolarHBondContact O-N 2.8Å; F17-F51 HydrophobicContact CE2-CB 4.15Å; F17-F51 HydrophobicContact CE2-CD1 4.33Å; F17-F51 AromaticContact CE2-CD2 3.52Å; F17-F51 HydrophobicContact CE2-CD2 3.52Å; F17-F51 AromaticContact CE2-CE2 3.92Å; F17-F51 HydrophobicContact CE2-CE2 3.92Å; F17-F51 AromaticContact CE2-CG 3.76Å; F17-F51 HydrophobicContact CE2-CG 3.76Å; F17-F51 HydrophobicContact CE2-CZ 4.48Å; F17-F51 HydrophobicContact CZ-CB 4.09Å; F17-F51 AromaticContact CZ-CD2 3.84Å; F17-F51 HydrophobicContact CZ-CD2 3.84Å; F17-F51 HydrophobicContact CZ-CG 4.12Å; F17-Q54 HydrophobicContact CB-CG 4.16Å; F17-Q54 HydrophobicContact CD1-CB 3.75Å; F17-Q54 HydrophobicContact CD1-CG 3.72Å; F17-Q54 HydrophobicContact CD2-CG 3.99Å; F17-Q54 HydrophobicContact CE1-CB 3.59Å; F17-Q54 HydrophobicContact CE1-CG 4Å; F17-Q54 HydrophobicContact CE2-CB 4.41Å; F17-Q54 HydrophobicContact CE2-CG 4.23Å; F17-Q54 HydrophobicContact CG-CB 4.25Å; F17-Q54 HydrophobicContact CG-CG 3.71Å; F17-Q54 HydrophobicContact CZ-CB 3.94Å; F17-Q54 HydrophobicContact CZ-CG 4.23Å; F17-L58 HydrophobicContact CE1-CD1 4.42Å
18S88.6Confident87.5Confident88 Ų8878 Ų7862%0.61539%0.394SS*.Hα-helixtrans-63.4-38.1176.5-58.10000111.4E15 N22E15-S18 VanDerWaalsContact O-CB 3.29Å; E15-S18 WeakPolarHBondContact O-CB 3.5Å; E15-S18 PolarHBondContact O-N 3.26Å; S18-N22 WeakPolarHBondContact O-CB 3.16Å; S18-N22 PolarHBondContact O-N 2.81Å
19Q89.1Confident87.3Confident115 Ų11579.6 Ų79.654%0.53740%0.404SS..Hα-helixtrans-69.5-41.5172.9-166.6-179.432.700111.9C4 E15 A16 F17 N22 L23C4-Q19 PolarHBondContact SG-OE1 3.36Å; E15-Q19 PolarHBondContact O-N 3.05Å; A16-Q19 PolarHBondContact O-N 3Å; F17-Q19 VanDerWaalsContact C-N 3.3Å; F17-Q19 PolarHBondContact O-N 3.33Å; Q19-N22 PolarHBondContact O-N 2.69Å; Q19-L23 WeakPolarHBondContact O-CG 3.27Å; Q19-L23 PolarHBondContact O-N 3.21Å
20L92.9Very high87.2Confident0 Ų081 Ų810%042%0.419CS..Hα-helixtrans-59.6-49.1177.3177.2147.9000112.1M1 C4 I5 I8 A16 F17 N22 L23 I24 A42 L58M1-L20 HydrophobicContact CE-CB 3.89Å; M1-L20 HydrophobicContact CE-CD1 3.45Å; M1-L20 VanDerWaalsContact CE-CD1 3.45Å; M1-L20 HydrophobicContact CE-CG 3.43Å; M1-L20 VanDerWaalsContact CE-CG 3.43Å; C4-L20 HydrophobicContact CB-CB 4.42Å; I5-L20 HydrophobicContact CG1-CD1 4.26Å; I8-L20 HydrophobicContact CD1-CD1 3.68Å; A16-L20 VanDerWaalsContact O-CB 3.27Å; A16-L20 WeakPolarHBondContact O-CB 3.38Å; A16-L20 PolarHBondContact O-N 2.8Å; F17-L20 HydrophobicContact CD1-CD2 4.38Å; F17-L20 WeakPolarHBondContact O-CB 3.45Å; F17-L20 PolarHBondContact O-N 3.04Å; L20-N22 VanDerWaalsContact C-N 3.33Å; L20-N22 PolarHBondContact O-N 2.72Å; L20-L23 PolarHBondContact O-N 2.76Å; L20-I24 HydrophobicContact CD2-CD1 3.62Å; L20-I24 HydrophobicContact CG-CD1 4.16Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.32Å; L20-I24 VanDerWaalsContact O-N 3.1Å; L20-A42 HydrophobicContact CD1-CB 3.82Å; L20-A42 HydrophobicContact CD2-CB 4.22Å; L20-L58 HydrophobicContact CD2-CD2 4.16Å
21F92.3Very high87.4Confident17 Ų1776.9 Ų76.98%0.07540%0.398CS..Hα-helixtrans-67.7-33.1178.2-69.6-57.8000112.4F17 I24 L25 Q54 Q57 L58 M61F17-F21 HydrophobicContact CB-CD2 4.31Å; F17-F21 HydrophobicContact CB-CE2 4.09Å; F17-F21 AromaticContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CZ 4.29Å; F17-F21 HydrophobicContact CG-CE2 4.47Å; F17-F21 WeakPolarHBondContact O-CD2 3.28Å; F17-F21 PolarHBondContact O-N 2.8Å; F21-I24 PolarHBondContact O-N 2.92Å; F21-L25 VanDerWaalsContact O-CB 3.31Å; F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.07Å; F21-Q54 HydrophobicContact CE2-CB 4.36Å; F21-Q54 HydrophobicContact CE2-CG 4.11Å; F21-Q54 HydrophobicContact CZ-CB 4.25Å; F21-Q57 HydrophobicContact CD1-CG 4.38Å; F21-Q57 HydrophobicContact CE1-CB 4.27Å; F21-Q57 HydrophobicContact CE1-CG 3.73Å; F21-Q57 HydrophobicContact CE2-CG 4.41Å; F21-Q57 HydrophobicContact CZ-CB 3.95Å; F21-Q57 VanDerWaalsContact CZ-CD 3.44Å; F21-Q57 HydrophobicContact CZ-CG 3.75Å; F21-L58 HydrophobicContact CE1-CD2 3.67Å; F21-L58 HydrophobicContact CE1-CG 3.84Å; F21-L58 HydrophobicContact CZ-CD2 4.31Å; F21-L58 HydrophobicContact CZ-CG 4.04Å; F21-M61 HydrophobicContact CD1-CE 4.15Å; F21-M61 HydrophobicContact CD1-SD 3.69Å; F21-M61 HydrophobicContact CE1-SD 3.83Å
22N89.1Confident87.7Confident83 Ų8372.2 Ų72.244%0.44438%0.378SS..Hα-helixtrans-62.8-45.8173.4-170.9-11.7000111.4S18 Q19 L20 I24 L25 N26S18-N22 WeakPolarHBondContact O-CB 3.16Å; S18-N22 PolarHBondContact O-N 2.81Å; Q19-N22 PolarHBondContact O-N 2.69Å; L20-N22 VanDerWaalsContact C-N 3.33Å; L20-N22 PolarHBondContact O-N 2.72Å; N22-I24 VanDerWaalsContact C-N 3.34Å; N22-I24 PolarHBondContact O-N 2.9Å; N22-L25 PolarHBondContact O-N 3.48Å; N22-N26 WeakPolarHBondContact O-CB 3.42Å; N22-N26 PolarHBondContact O-N 3.43Å; N22-N26 PolarHBondContact OD1-ND2 3.22Å
23L88.6Confident88Confident41 Ų4169.8 Ų69.822%0.21537%0.365CS..Hα-helixtrans-60.8-40.1175.6-70.1172.8000112.8M1 Q19 L20 E27 N28 V29M1-L23 HydrophobicContact SD-CB 4.12Å; M1-L23 HydrophobicContact SD-CD1 3.74Å; Q19-L23 WeakPolarHBondContact O-CG 3.27Å; Q19-L23 PolarHBondContact O-N 3.21Å; L20-L23 PolarHBondContact O-N 2.76Å; L23-E27 HydrophobicContact CD2-CB 4.3Å; L23-E27 HydrophobicContact CD2-CG 4.05Å; L23-E27 CarbonylContact O-C 3.59Å; L23-E27 WeakPolarHBondContact O-CB 3.47Å; L23-E27 PolarHBondContact O-N 3.22Å; L23-N28 PolarHBondContact O-N 2.93Å; L23-V29 HydrophobicContact CB-CG2 4.24Å; L23-V29 WeakPolarHBondContact O-CB 3.48Å; L23-V29 WeakPolarHBondContact O-CG2 3.37Å; L23-V29 PolarHBondContact O-N 3.19Å
24I89.5Confident88.4Confident20 Ų2071.8 Ų71.810%0.10337%0.374CS..Hα-helixtrans-71-44.5179.2-64163.3000111.4L20 F21 N22 V29 V31 L58 M61L20-I24 HydrophobicContact CD2-CD1 3.62Å; L20-I24 HydrophobicContact CG-CD1 4.16Å; L20-I24 WeakPolarHBondContact O-CG1 3.46Å; L20-I24 PolarHBondContact O-N 3.32Å; L20-I24 VanDerWaalsContact O-N 3.1Å; F21-I24 PolarHBondContact O-N 2.92Å; N22-I24 VanDerWaalsContact C-N 3.34Å; N22-I24 PolarHBondContact O-N 2.9Å; I24-V29 WeakPolarHBondContact CA-O 3.39Å; I24-V31 HydrophobicContact CD1-CG2 4.36Å; I24-V31 HydrophobicContact CG2-CB 4.24Å; I24-L58 HydrophobicContact CD1-CD2 4.37Å; I24-M61 HydrophobicContact CB-CE 4.1Å; I24-M61 HydrophobicContact CG2-CE 3.43Å; I24-M61 VanDerWaalsContact CG2-CE 3.43Å
25L86.9Confident88.7Confident113 Ų11366.8 Ų66.859%0.59235%0.351SS*.Hα-helixtrans-80.1-35.6-173.8-70.6169.7000114.2F21 N22 M61F21-L25 VanDerWaalsContact O-CB 3.31Å; F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 WeakPolarHBondContact O-CG 3.39Å; F21-L25 PolarHBondContact O-N 3.07Å; N22-L25 PolarHBondContact O-N 3.48Å; L25-M61 HydrophobicContact CD1-CE 4.5Å; L25-M61 HydrophobicContact CD2-CE 3.74Å; L25-M61 HydrophobicContact CG-CE 3.86Å
26N84.3Confident89Confident116 Ų11663.4 Ų63.462%0.6235%0.345SS*.THydrogen-bonded Turntrans-110.1-37-171-60-43.6000113.3N22 N28N22-N26 WeakPolarHBondContact O-CB 3.42Å; N22-N26 PolarHBondContact O-N 3.43Å; N22-N26 PolarHBondContact OD1-ND2 3.22Å; N26-N28 VanDerWaalsContact C-N 3.34Å
27E83.4Confident88.7Confident136 Ų13671.1 Ų71.164%0.63638%0.381SS*.SBendtrans-93.89.7179.7-60.5-66.2154.100112.8L23 V29L23-E27 HydrophobicContact CD2-CB 4.3Å; L23-E27 HydrophobicContact CD2-CG 4.05Å; L23-E27 CarbonylContact O-C 3.59Å; L23-E27 WeakPolarHBondContact O-CB 3.47Å; L23-E27 PolarHBondContact O-N 3.22Å; E27-V29 HydrophobicContact CB-CG2 4.29Å; E27-V29 PolarHBondContact O-N 3.36Å
28N78.9Confident88.5Confident155 Ų15573.9 Ų73.983%0.82940%0.398SS*.  trans59.527.3172.9-1364.8000114.2L23 N26L23-N28 PolarHBondContact O-N 2.93Å; N26-N28 VanDerWaalsContact C-N 3.34Å
29V87.8Confident88.5Confident34 Ų3470.1 Ų70.121%0.20637%0.373CS..  trans-75133.4176.8179.60000109.5M1 L23 I24 E27 F33M1-V29 HydrophobicContact CG-CG1 4.08Å; M1-V29 HydrophobicContact SD-CG1 4.12Å; L23-V29 HydrophobicContact CB-CG2 4.24Å; L23-V29 WeakPolarHBondContact O-CB 3.48Å; L23-V29 WeakPolarHBondContact O-CG2 3.37Å; L23-V29 PolarHBondContact O-N 3.19Å; I24-V29 WeakPolarHBondContact CA-O 3.39Å; E27-V29 HydrophobicContact CB-CG2 4.29Å; E27-V29 PolarHBondContact O-N 3.36Å; V29-F33 HydrophobicContact CG1-CB 4.24Å; V29-F33 HydrophobicContact CG1-CD2 4.12Å; V29-F33 HydrophobicContact CG1-CG 4.42Å
30P87.2Confident88.6Confident84 Ų8465.1 Ų65.155%0.54535%0.351SS..  trans-62.8140.4179.525.8-35000111.9D32 F33P30-D32 PolarHBondContact O-N 2.88Å; P30-F33 WeakPolarHBondContact O-CB 3.38Å; P30-F33 PolarHBondContact O-N 2.91Å; P30-F33 VanDerWaalsContact O-N 3.1Å
31V90.8Very high88.7Confident21 Ų2165.2 Ų65.213%0.12735%0.351CS..THydrogen-bonded Turntrans-59.7-34.9178.265.80000112.3I24 F33 L58 M61 A63I24-V31 HydrophobicContact CD1-CG2 4.36Å; I24-V31 HydrophobicContact CG2-CB 4.24Å; V31-F33 PolarHBondContact O-N 2.67Å; V31-L58 HydrophobicContact CG2-CD2 3.79Å; V31-M61 HydrophobicContact CG2-CB 4.31Å; V31-A63 HydrophobicContact CG1-CB 4.37Å; V31-A63 HydrophobicContact CG2-CB 3.86Å
32D91.4Very high88.7Confident44 Ų4464.5 Ų64.524%0.23535%0.349CS..THydrogen-bonded Turntrans-86.527.1176.7-57.2-59.3000113.8P30 M34 A63 D64 M67P30-D32 PolarHBondContact O-N 2.88Å; D32-M34 PolarHBondContact O-N 3.3Å; D32-M34 VanDerWaalsContact O-N 3.09Å; D32-A63 WeakPolarHBondContact OD1-CA 3.38Å; D32-D64 PolarHBondContact OD1-N 3.03Å; D32-M67 HydrophobicContact CB-CE 4.33Å
33F93.4Very high89Confident55 Ų5560.7 Ų60.724%0.24133%0.328CS..PPolyproline II helixtrans-56118.3171.6-177.9-80.3000110.1M1 D2 I5 V29 P30 V31M1-F33 HydrophobicContact CB-CD1 3.85Å; M1-F33 HydrophobicContact CB-CD2 4.28Å; M1-F33 HydrophobicContact CB-CE1 3.68Å; M1-F33 HydrophobicContact CB-CE2 4.12Å; M1-F33 HydrophobicContact CB-CG 4.17Å; M1-F33 HydrophobicContact CB-CZ 3.83Å; M1-F33 HydrophobicContact CG-CB 4Å; M1-F33 HydrophobicContact CG-CD1 3.29Å; M1-F33 HydrophobicContact CG-CD2 3.95Å; M1-F33 HydrophobicContact CG-CE1 3.69Å; M1-F33 HydrophobicContact CG-CE2 4.28Å; M1-F33 HydrophobicContact CG-CG 3.45Å; M1-F33 VanDerWaalsContact CG-CG 3.45Å; M1-F33 HydrophobicContact CG-CZ 4.18Å; D2-F33 WeakPolarHBondContact OD1-CE1 3.1Å; I5-F33 HydrophobicContact CD1-CD1 3.87Å; I5-F33 HydrophobicContact CD1-CE1 4.44Å; V29-F33 HydrophobicContact CG1-CB 4.24Å; V29-F33 HydrophobicContact CG1-CD2 4.12Å; V29-F33 HydrophobicContact CG1-CG 4.42Å; P30-F33 WeakPolarHBondContact O-CB 3.38Å; P30-F33 PolarHBondContact O-N 2.91Å; P30-F33 VanDerWaalsContact O-N 3.1Å; V31-F33 PolarHBondContact O-N 2.67Å
34M93.8Very high89.3Confident95 Ų9558.8 Ų58.847%0.46832%0.318SS..PPolyproline II helixtrans-87130.7175.6-68.9-175.3-70.700110.6D32 S36 G39 T41 M67D32-M34 PolarHBondContact O-N 3.3Å; D32-M34 VanDerWaalsContact O-N 3.09Å; M34-S36 PolarHBondContact O-N 2.95Å; M34-G39 WeakPolarHBondContact CG-O 3.34Å; M34-T41 HydrophobicContact CG-CG2 3.91Å; M34-M67 HydrophobicContact CE-CE 4.08Å; M34-M67 HydrophobicContact CG-CE 3.54Å; M34-M67 HydrophobicContact SD-CE 3.49Å; M34-M67 WeakPolarHBondContact SD-CE 3.46Å
35H90.8Very high89.5Confident15 Ų1557.9 Ų57.97%0.06931%0.314CS..PPolyproline II helixtrans-57.9127.1175.1-178.5-99.2000111.9D2 I5 S6 E37 T38 G39 S40D2-H35 PolarHBondContact O-CD2 3.4Å; D2-H35 VanDerWaalsContact OD1-CA 3.26Å; D2-H35 WeakPolarHBondContact OD1-CA 3.29Å; D2-H35 IonicContact OD1-CD2 2.65Å; D2-H35 PolarHBondContact OD1-CD2 3.04Å; D2-H35 VanDerWaalsContact OD1-CD2 3.27Å; D2-H35 IonicContact OD1-CG 2.7Å; D2-H35 IonicContact OD1-NE2 3.23Å; I5-H35 HydrophobicContact CD1-CB 4.48Å; I5-H35 HydrophobicContact CG2-CB 4.12Å; S6-H35 PolarHBondContact OG-NE2 3.37Å; H35-E37 PolarHBondContact O-N 3.03Å; H35-T38 WeakPolarHBondContact CB-OG1 3.11Å; H35-T38 PolarHBondContact ND1-N 2.98Å; H35-T38 PolarHBondContact ND1-OG1 3.48Å; H35-T38 PolarHBondContact O-N 3.11Å; H35-T38 VanDerWaalsContact O-N 3.17Å; H35-G39 WeakPolarHBondContact O-CA 3.45Å; H35-G39 PolarHBondContact O-N 3.36Å; H35-S40 VanDerWaalsContact CB-O 3.32Å; H35-S40 WeakPolarHBondContact CB-O 3.45Å; H35-S40 PolarHBondContact N-O 3.02Å
36S89.4Confident89.8Confident93 Ų9352.5 Ų52.565%0.6529%0.285SS*.THydrogen-bonded Turntrans-54.9-29.8-166.3-64.80000115D2 M34D2-S36 PolarHBondContact OD1-N 2.8Å; D2-S36 PolarHBondContact OD1-OG 2.8Å; D2-S36 WeakPolarHBondContact OD2-CB 3.47Å; D2-S36 PolarHBondContact OD2-OG 2.92Å; M34-S36 PolarHBondContact O-N 2.95Å
37E84.5Confident90.3Very high166 Ų16647 Ų4778%0.77626%0.256SS*.THydrogen-bonded Turntrans-99.8-31.4-179.3-59.1-174.6156.300113.9H35H35-E37 PolarHBondContact O-N 3.03Å
38T84.9Confident90.7Very high60 Ų6040.5 Ų40.537%0.36823%0.226SC..THydrogen-bonded Turntrans-113.9-10.9-167.263.30000113.9H35 S40 A69 S70H35-T38 WeakPolarHBondContact CB-OG1 3.11Å; H35-T38 PolarHBondContact ND1-N 2.98Å; H35-T38 PolarHBondContact ND1-OG1 3.48Å; H35-T38 PolarHBondContact O-N 3.11Å; H35-T38 VanDerWaalsContact O-N 3.17Å; T38-S40 PolarHBondContact O-N 3.45Å; T38-S40 WeakPolarHBondContact OG1-CB 3.29Å; T38-S40 PolarHBondContact OG1-N 3.07Å; T38-S40 PolarHBondContact OG1-OG 3.22Å; T38-A69 WeakPolarHBondContact O-CB 3.42Å; T38-S70 WeakPolarHBondContact O-CB 3.48Å; T38-S70 PolarHBondContact O-N 2.78Å; T38-S70 PolarHBondContact O-OG 2.8Å
39G89.1Confident91.3Very high9 Ų936.6 Ų36.69%0.09320%0.199CC..  trans70.5-1.8-173.500000114.6M34 H35 T41 S70M34-G39 WeakPolarHBondContact CG-O 3.34Å; H35-G39 WeakPolarHBondContact O-CA 3.45Å; H35-G39 PolarHBondContact O-N 3.36Å; G39-T41 PolarHBondContact O-N 3.41Å; G39-S70 PolarHBondContact N-OG 2.68Å
40S91.6Very high91.4Very high11 Ų1135.9 Ų35.98%0.07720%0.199CC..  trans-67.4126.6-175.1-52.60000111.6H35 T38H35-S40 VanDerWaalsContact CB-O 3.32Å; H35-S40 WeakPolarHBondContact CB-O 3.45Å; H35-S40 PolarHBondContact N-O 3.02Å; T38-S40 PolarHBondContact O-N 3.45Å; T38-S40 WeakPolarHBondContact OG1-CB 3.29Å; T38-S40 PolarHBondContact OG1-N 3.07Å; T38-S40 PolarHBondContact OG1-OG 3.22Å
41T94.6Very high91.7Very high1 Ų133.2 Ų33.21%0.00618%0.179CC..  trans-84.9166.617166.90000111.6M34 G39 L43 M44 V45 M67M34-T41 HydrophobicContact CG-CG2 3.91Å; G39-T41 PolarHBondContact O-N 3.41Å; T41-L43 PolarHBondContact O-N 3.43Å; T41-M44 HydrophobicContact CG2-CE 4.08Å; T41-M44 HydrophobicContact CG2-SD 4.42Å; T41-M44 PolarHBondContact N-SD 2.98Å; T41-M44 PolarHBondContact O-N 3.04Å; T41-M44 WeakPolarHBondContact OG1-CG 3.49Å; T41-M44 PolarHBondContact OG1-N 3.35Å; T41-V45 PolarHBondContact O-N 2.92Å; T41-M67 HydrophobicContact CG2-CB 4.25Å; T41-M67 HydrophobicContact CG2-CE 4.18Å
42A93.4Very high91.7Very high3 Ų334.1 Ų34.13%0.02518%0.183CC..Hα-helixtrans-51.7-41.8171.900000112.6L20 V45 S46 L58L20-A42 HydrophobicContact CD1-CB 3.82Å; L20-A42 HydrophobicContact CD2-CB 4.22Å; A42-V45 VanDerWaalsContact O-CG2 3.26Å; A42-V45 WeakPolarHBondContact O-CG2 3.38Å; A42-V45 PolarHBondContact O-N 2.9Å; A42-S46 PolarHBondContact O-N 2.87Å; A42-S46 PolarHBondContact O-OG 2.82Å; A42-L58 HydrophobicContact CB-CD1 3.8Å; A42-L58 HydrophobicContact CB-CD2 3.84Å
43L94.8Very high91.7Very high2 Ų236.1 Ų36.11%0.0120%0.198CC..Hα-helixtrans-67-37.1-179.5-175.867.6000112.4T41 S46 A47 T55 L58 L59 A63 I65 A75 L91T41-L43 PolarHBondContact O-N 3.43Å; L43-S46 PolarHBondContact O-OG 3.09Å; L43-S46 VanDerWaalsContact O-OG 3.13Å; L43-A47 WeakPolarHBondContact O-CB 3.19Å; L43-A47 PolarHBondContact O-N 3Å; L43-T55 HydrophobicContact CD1-CG2 3.9Å; L43-L58 HydrophobicContact CD1-CB 4.1Å; L43-L59 HydrophobicContact CD1-CD1 4.37Å; L43-L59 HydrophobicContact CD1-CD2 3.94Å; L43-L59 HydrophobicContact CD1-CG 3.8Å; L43-L59 HydrophobicContact CD2-CD2 3.9Å; L43-A63 HydrophobicContact CB-CB 4.22Å; L43-A63 HydrophobicContact CD2-CB 4Å; L43-I65 HydrophobicContact CD2-CG1 4.26Å; L43-A75 HydrophobicContact CD2-CB 4.08Å; L43-A75 HydrophobicContact CG-CB 3.91Å; L43-L91 HydrophobicContact CD1-CD2 4.25Å; L43-L91 HydrophobicContact CD2-CD2 4.3Å; L43-L91 HydrophobicContact CG-CD2 4.38Å
44M94.4Very high91.7Very high1 Ų134.4 Ų34.41%0.00519%0.191CC..Hα-helixtrans-65.6-42.4176.9-67.1166.8-170.600111.8T41 A48 M67 A69 A75 F78T41-M44 HydrophobicContact CG2-CE 4.08Å; T41-M44 HydrophobicContact CG2-SD 4.42Å; T41-M44 PolarHBondContact N-SD 2.98Å; T41-M44 PolarHBondContact O-N 3.04Å; T41-M44 WeakPolarHBondContact OG1-CG 3.49Å; T41-M44 PolarHBondContact OG1-N 3.35Å; M44-A48 VanDerWaalsContact O-CB 3.29Å; M44-A48 WeakPolarHBondContact O-CB 3.46Å; M44-A48 PolarHBondContact O-N 3.18Å; M44-M67 HydrophobicContact CE-CB 3.8Å; M44-M67 WeakPolarHBondContact CE-O 3.28Å; M44-A69 HydrophobicContact SD-CB 3.81Å; M44-A75 HydrophobicContact CG-CB 4.14Å; M44-F78 HydrophobicContact CB-CD2 3.88Å; M44-F78 HydrophobicContact CB-CE2 4.15Å; M44-F78 HydrophobicContact CB-CG 4.32Å; M44-F78 HydrophobicContact CG-CD2 4.06Å; M44-F78 HydrophobicContact CG-CE2 4.3Å; M44-F78 HydrophobicContact SD-CD2 4.44Å; M44-F78 HydrophobicContact SD-CE2 4.12Å
45V93.8Very high91.6Very high1 Ų129.9 Ų29.91%0.00617%0.168CC..Hα-helixtrans-76.2-33.4-177.9-58.30000112.3I5 I8 F9 T41 A42 R49I5-V45 HydrophobicContact CG2-CG1 3.74Å; I5-V45 HydrophobicContact CG2-CG2 4Å; I8-V45 HydrophobicContact CB-CG2 4.27Å; I8-V45 HydrophobicContact CG2-CB 4.12Å; I8-V45 HydrophobicContact CG2-CG2 3.65Å; F9-V45 HydrophobicContact CB-CB 4.07Å; F9-V45 HydrophobicContact CB-CG1 3.78Å; F9-V45 HydrophobicContact CD2-CB 4.06Å; F9-V45 HydrophobicContact CD2-CG1 3.81Å; F9-V45 HydrophobicContact CG-CB 4.5Å; F9-V45 HydrophobicContact CG-CG1 4.04Å; T41-V45 PolarHBondContact O-N 2.92Å; A42-V45 VanDerWaalsContact O-CG2 3.26Å; A42-V45 WeakPolarHBondContact O-CG2 3.38Å; A42-V45 PolarHBondContact O-N 2.9Å; V45-R49 PolarHBondContact O-N 3.45Å
46S94.3Very high91.6Very high0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-65.8-42.9171.975.40000111.5A42 L43 G50 F51 T55A42-S46 PolarHBondContact O-N 2.87Å; A42-S46 PolarHBondContact O-OG 2.82Å; L43-S46 PolarHBondContact O-OG 3.09Å; L43-S46 VanDerWaalsContact O-OG 3.13Å; S46-G50 PolarHBondContact O-N 2.81Å; S46-G50 VanDerWaalsContact O-N 3.08Å; S46-F51 PolarHBondContact O-N 3.12Å; S46-T55 VanDerWaalsContact CB-OG1 3.29Å; S46-T55 WeakPolarHBondContact CB-OG1 3.3Å; S46-T55 PolarHBondContact OG-OG1 3.01Å
47A93.6Very high91.7Very high0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-67.5-35.9176.900000113.3L43 A75 A79 Q84 L91L43-A47 WeakPolarHBondContact O-CB 3.19Å; L43-A47 PolarHBondContact O-N 3Å; A47-A75 HydrophobicContact CB-CB 4.33Å; A47-A79 HydrophobicContact CB-CB 4.27Å; A47-Q84 WeakPolarHBondContact O-CG 3.49Å; A47-L91 HydrophobicContact CB-CD1 3.86Å
48A91.8Very high92Very high0 Ų025.7 Ų25.70%014%0.139CC..Hα-helixtrans-66.6-40177.100000113.3F9 M44 F78 F82 Q84F9-A48 HydrophobicContact CD2-CB 4.31Å; F9-A48 HydrophobicContact CE2-CB 3.87Å; M44-A48 VanDerWaalsContact O-CB 3.29Å; M44-A48 WeakPolarHBondContact O-CB 3.46Å; M44-A48 PolarHBondContact O-N 3.18Å; A48-F78 HydrophobicContact CB-CB 4.1Å; A48-F78 HydrophobicContact CB-CD1 3.86Å; A48-F78 HydrophobicContact CB-CG 4.4Å; A48-F82 HydrophobicContact CB-CD2 3.8Å; A48-F82 HydrophobicContact CB-CE2 4.24Å; A48-F82 HydrophobicContact CB-CG 4.39Å; A48-F82 WeakPolarHBondContact O-CB 3.38Å; A48-Q84 WeakPolarHBondContact O-CG 3.39Å; A48-Q84 PolarHBondContact O-NE2 3.09Å
49R92Very high92.2Very high74 Ų7424.2 Ų24.228%0.27913%0.128SC..Hα-helixtrans-93-1.6-178.4-67.9-63.2-168.1161.5-1.2114.1F9 E12 V45 F51 Q84F9-R49 VanDerWaalsContact O-CZ 3.25Å; F9-R49 PolarHBondContact O-NE 2.67Å; F9-R49 PolarHBondContact O-NH2 2.86Å; E12-R49 HydrophobicContact CG-CG 4.31Å; E12-R49 WeakPolarHBondContact OE1-CD 3.2Å; E12-R49 IonicContact OE1-CZ 3.41Å; E12-R49 IonicContact OE1-NE 3.31Å; E12-R49 IonicContact OE1-NH1 2.81Å; E12-R49 PolarHBondContact OE1-NH1 3.25Å; V45-R49 PolarHBondContact O-N 3.45Å; R49-F51 HydrophobicContact CB-CD2 3.55Å; R49-F51 HydrophobicContact CB-CE2 3.42Å; R49-F51 VanDerWaalsContact CB-CE2 3.42Å; R49-F51 HydrophobicContact CB-CZ 4.34Å; R49-F51 HydrophobicContact CG-CE2 4.12Å; R49-Q84 PolarHBondContact O-NE2 2.81Å
50G89.9Confident92.1Very high19 Ų1928.6 Ų28.620%0.19616%0.157CC..THydrogen-bonded Turntrans77.423.3177.300000114.2S46 L52S46-G50 PolarHBondContact O-N 2.81Å; S46-G50 VanDerWaalsContact O-N 3.08Å; G50-L52 VanDerWaalsContact C-N 3.27Å; G50-L52 WeakPolarHBondContact O-CD2 3.26Å; G50-L52 WeakPolarHBondContact O-CG 3.43Å; G50-L52 PolarHBondContact O-N 3.43Å
51F92.7Very high91.9Very high28 Ų2830.5 Ų30.512%0.12317%0.166CC..  trans-75.276.8177.5-69.7-62.5000110.8I8 E12 F17 S46 R49 Q54 T55I8-F51 HydrophobicContact CG2-CD2 4.31Å; I8-F51 HydrophobicContact CG2-CE2 4.16Å; E12-F51 HydrophobicContact CB-CZ 4Å; F17-F51 HydrophobicContact CE2-CB 4.15Å; F17-F51 HydrophobicContact CE2-CD1 4.33Å; F17-F51 AromaticContact CE2-CD2 3.52Å; F17-F51 HydrophobicContact CE2-CD2 3.52Å; F17-F51 AromaticContact CE2-CE2 3.92Å; F17-F51 HydrophobicContact CE2-CE2 3.92Å; F17-F51 AromaticContact CE2-CG 3.76Å; F17-F51 HydrophobicContact CE2-CG 3.76Å; F17-F51 HydrophobicContact CE2-CZ 4.48Å; F17-F51 HydrophobicContact CZ-CB 4.09Å; F17-F51 AromaticContact CZ-CD2 3.84Å; F17-F51 HydrophobicContact CZ-CD2 3.84Å; F17-F51 HydrophobicContact CZ-CG 4.12Å; S46-F51 PolarHBondContact O-N 3.12Å; R49-F51 HydrophobicContact CB-CD2 3.55Å; R49-F51 HydrophobicContact CB-CE2 3.42Å; R49-F51 VanDerWaalsContact CB-CE2 3.42Å; R49-F51 HydrophobicContact CB-CZ 4.34Å; R49-F51 HydrophobicContact CG-CE2 4.12Å; F51-Q54 HydrophobicContact CB-CB 4.25Å; F51-Q54 PolarHBondContact O-N 3.13Å; F51-T55 WeakPolarHBondContact O-CB 3.44Å; F51-T55 PolarHBondContact O-N 3.17Å; F51-T55 PolarHBondContact O-OG1 3.4Å
52L92Very high91.4Very high40 Ų4033 Ų3321%0.20919%0.192CC..Hα-helixtrans-60.8-47.4-170.3-44.1-179.7000113.8G50 Q54 T55 Q56 E86 A87 I90G50-L52 VanDerWaalsContact C-N 3.27Å; G50-L52 WeakPolarHBondContact O-CD2 3.26Å; G50-L52 WeakPolarHBondContact O-CG 3.43Å; G50-L52 PolarHBondContact O-N 3.43Å; L52-Q54 VanDerWaalsContact C-N 3.35Å; L52-Q54 PolarHBondContact O-N 2.84Å; L52-T55 PolarHBondContact O-N 3.26Å; L52-Q56 WeakPolarHBondContact O-CG 3.2Å; L52-Q56 PolarHBondContact O-N 3.33Å; L52-E86 HydrophobicContact CD1-CB 3.66Å; L52-E86 HydrophobicContact CD1-CG 4.48Å; L52-E86 WeakPolarHBondContact CD1-OE2 3.48Å; L52-E86 HydrophobicContact CD2-CB 3.95Å; L52-E86 HydrophobicContact CG-CB 4.48Å; L52-A87 HydrophobicContact CD2-CB 3.89Å; L52-I90 HydrophobicContact CB-CD1 3.85Å; L52-I90 HydrophobicContact CD2-CD1 4.07Å; L52-I90 HydrophobicContact CG-CD1 4.36Å
53P90.8Very high91.3Very high85 Ų8533.3 Ų33.355%0.55219%0.194SC*.Hα-helixtrans-62.2-42.1179.8-22.334.1000112.4Q56 Q57P53-Q56 PolarHBondContact O-N 3.08Å; P53-Q57 WeakPolarHBondContact O-CB 3.46Å; P53-Q57 PolarHBondContact O-N 3.14Å
54Q93.3Very high90.9Very high20 Ų2036.3 Ų36.39%0.09321%0.21CC..Hα-helixtrans-70.1-34.7178.7-63.881.5-400111.6F17 F21 F51 L52 Q57 L58F17-Q54 HydrophobicContact CB-CG 4.16Å; F17-Q54 HydrophobicContact CD1-CB 3.75Å; F17-Q54 HydrophobicContact CD1-CG 3.72Å; F17-Q54 HydrophobicContact CD2-CG 3.99Å; F17-Q54 HydrophobicContact CE1-CB 3.59Å; F17-Q54 HydrophobicContact CE1-CG 4Å; F17-Q54 HydrophobicContact CE2-CB 4.41Å; F17-Q54 HydrophobicContact CE2-CG 4.23Å; F17-Q54 HydrophobicContact CG-CB 4.25Å; F17-Q54 HydrophobicContact CG-CG 3.71Å; F17-Q54 HydrophobicContact CZ-CB 3.94Å; F17-Q54 HydrophobicContact CZ-CG 4.23Å; F21-Q54 HydrophobicContact CE2-CB 4.36Å; F21-Q54 HydrophobicContact CE2-CG 4.11Å; F21-Q54 HydrophobicContact CZ-CB 4.25Å; F51-Q54 HydrophobicContact CB-CB 4.25Å; F51-Q54 PolarHBondContact O-N 3.13Å; L52-Q54 VanDerWaalsContact C-N 3.35Å; L52-Q54 PolarHBondContact O-N 2.84Å; Q54-Q57 PolarHBondContact O-N 3.1Å; Q54-L58 WeakPolarHBondContact O-CB 3.42Å; Q54-L58 VanDerWaalsContact O-CG 3.27Å; Q54-L58 WeakPolarHBondContact O-CG 3.29Å; Q54-L58 PolarHBondContact O-N 2.91Å
55T91.9Very high90.6Very high0 Ų037.4 Ų37.40%022%0.216CC..Hα-helixtrans-63.6-47.4172.7-58.30000110.6L43 S46 F51 L52 Q57 L58 L59 I90 L91L43-T55 HydrophobicContact CD1-CG2 3.9Å; S46-T55 VanDerWaalsContact CB-OG1 3.29Å; S46-T55 WeakPolarHBondContact CB-OG1 3.3Å; S46-T55 PolarHBondContact OG-OG1 3.01Å; F51-T55 WeakPolarHBondContact O-CB 3.44Å; F51-T55 PolarHBondContact O-N 3.17Å; F51-T55 PolarHBondContact O-OG1 3.4Å; L52-T55 PolarHBondContact O-N 3.26Å; T55-Q57 VanDerWaalsContact C-N 3.33Å; T55-Q57 PolarHBondContact O-N 2.92Å; T55-L58 PolarHBondContact O-N 2.99Å; T55-L59 HydrophobicContact CG2-CD1 4.02Å; T55-L59 WeakPolarHBondContact O-CD1 3.41Å; T55-L59 VanDerWaalsContact O-CG 3.22Å; T55-L59 WeakPolarHBondContact O-CG 3.41Å; T55-L59 PolarHBondContact O-N 3.45Å; T55-I90 HydrophobicContact CG2-CG2 4.29Å; T55-L91 HydrophobicContact CG2-CD2 4.46Å
56Q90.5Very high90.2Very high109 Ų10941.9 Ų41.951%0.50924%0.24SC..Hα-helixtrans-61.9-38.7174.3-70.7176.5-6.200112.5L52 P53 L59 S60 I90L52-Q56 WeakPolarHBondContact O-CG 3.2Å; L52-Q56 PolarHBondContact O-N 3.33Å; P53-Q56 PolarHBondContact O-N 3.08Å; Q56-L59 PolarHBondContact O-N 3.37Å; Q56-S60 PolarHBondContact O-N 2.92Å; Q56-S60 PolarHBondContact O-OG 3.2Å; Q56-I90 HydrophobicContact CG-CD1 4.08Å; Q56-I90 HydrophobicContact CG-CG1 4.44Å; Q56-I90 HydrophobicContact CG-CG2 3.81Å
57Q90.9Very high89.8Confident77 Ų7744.1 Ų44.136%0.3625%0.251SS..Hα-helixtrans-66.4-42.7176.7-175176-10.900112.3F21 P53 Q54 T55 L59 S60 M61F21-Q57 HydrophobicContact CD1-CG 4.38Å; F21-Q57 HydrophobicContact CE1-CB 4.27Å; F21-Q57 HydrophobicContact CE1-CG 3.73Å; F21-Q57 HydrophobicContact CE2-CG 4.41Å; F21-Q57 HydrophobicContact CZ-CB 3.95Å; F21-Q57 VanDerWaalsContact CZ-CD 3.44Å; F21-Q57 HydrophobicContact CZ-CG 3.75Å; P53-Q57 WeakPolarHBondContact O-CB 3.46Å; P53-Q57 PolarHBondContact O-N 3.14Å; Q54-Q57 PolarHBondContact O-N 3.1Å; T55-Q57 VanDerWaalsContact C-N 3.33Å; T55-Q57 PolarHBondContact O-N 2.92Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 2.95Å; Q57-S60 PolarHBondContact O-N 2.93Å; Q57-S60 PolarHBondContact O-OG 3.22Å; Q57-M61 HydrophobicContact CG-SD 3.98Å; Q57-M61 WeakPolarHBondContact O-CB 3.43Å; Q57-M61 WeakPolarHBondContact O-CG 3.18Å; Q57-M61 PolarHBondContact O-N 3.1Å
58L91.9Very high89.6Confident0 Ų049.7 Ų49.70%028%0.275CS..Hα-helixtrans-64.1-40175.8-73.4164.6000111.8F17 L20 F21 I24 V31 A42 L43 Q54 T55 M61 G62 A63F17-L58 HydrophobicContact CE1-CD1 4.42Å; L20-L58 HydrophobicContact CD2-CD2 4.16Å; F21-L58 HydrophobicContact CE1-CD2 3.67Å; F21-L58 HydrophobicContact CE1-CG 3.84Å; F21-L58 HydrophobicContact CZ-CD2 4.31Å; F21-L58 HydrophobicContact CZ-CG 4.04Å; I24-L58 HydrophobicContact CD1-CD2 4.37Å; V31-L58 HydrophobicContact CG2-CD2 3.79Å; A42-L58 HydrophobicContact CB-CD1 3.8Å; A42-L58 HydrophobicContact CB-CD2 3.84Å; L43-L58 HydrophobicContact CD1-CB 4.1Å; Q54-L58 WeakPolarHBondContact O-CB 3.42Å; Q54-L58 VanDerWaalsContact O-CG 3.27Å; Q54-L58 WeakPolarHBondContact O-CG 3.29Å; Q54-L58 PolarHBondContact O-N 2.91Å; T55-L58 PolarHBondContact O-N 2.99Å; L58-M61 CarbonylContact O-C 3.58Å; L58-M61 PolarHBondContact O-N 2.98Å; L58-G62 PolarHBondContact O-N 2.85Å; L58-A63 HydrophobicContact CB-CB 4.24Å; L58-A63 VanDerWaalsContact O-CB 3.25Å; L58-A63 WeakPolarHBondContact O-CB 3.39Å; L58-A63 PolarHBondContact O-N 3.04Å
59L89.8Confident89.4Confident29 Ų2950 Ų5015%0.15228%0.278CS..Hα-helixtrans-65.4-41.4175-68.1163.7000112L43 T55 Q56 Q57 M61 G62 I65 I90 L91L43-L59 HydrophobicContact CD1-CD1 4.37Å; L43-L59 HydrophobicContact CD1-CD2 3.94Å; L43-L59 HydrophobicContact CD1-CG 3.8Å; L43-L59 HydrophobicContact CD2-CD2 3.9Å; T55-L59 HydrophobicContact CG2-CD1 4.02Å; T55-L59 WeakPolarHBondContact O-CD1 3.41Å; T55-L59 VanDerWaalsContact O-CG 3.22Å; T55-L59 WeakPolarHBondContact O-CG 3.41Å; T55-L59 PolarHBondContact O-N 3.45Å; Q56-L59 PolarHBondContact O-N 3.37Å; Q57-L59 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 2.95Å; L59-M61 PolarHBondContact O-N 3.02Å; L59-G62 PolarHBondContact O-N 3.42Å; L59-I65 HydrophobicContact CD2-CD1 3.86Å; L59-I65 HydrophobicContact CD2-CG1 3.61Å; L59-I90 HydrophobicContact CD1-CG2 3.73Å; L59-L91 HydrophobicContact CD1-CD2 4.2Å; L59-L91 HydrophobicContact CD2-CD2 4.27Å
60S86.9Confident89.2Confident100 Ų10050.9 Ų50.970%0.69930%0.295SS*.Hα-helixtrans-70.6-20.8175.372.90000113.5Q56 Q57 G62Q56-S60 PolarHBondContact O-N 2.92Å; Q56-S60 PolarHBondContact O-OG 3.2Å; Q57-S60 PolarHBondContact O-N 2.93Å; Q57-S60 PolarHBondContact O-OG 3.22Å; S60-G62 VanDerWaalsContact C-N 3.29Å
61M86.6Confident88.7Confident51 Ų5153.9 Ų53.925%0.25131%0.307SS..THydrogen-bonded Turntrans-84.63168.8-67.9173.764.600113.5F21 I24 L25 V31 Q57 L58 L59F21-M61 HydrophobicContact CD1-CE 4.15Å; F21-M61 HydrophobicContact CD1-SD 3.69Å; F21-M61 HydrophobicContact CE1-SD 3.83Å; I24-M61 HydrophobicContact CB-CE 4.1Å; I24-M61 HydrophobicContact CG2-CE 3.43Å; I24-M61 VanDerWaalsContact CG2-CE 3.43Å; L25-M61 HydrophobicContact CD1-CE 4.5Å; L25-M61 HydrophobicContact CD2-CE 3.74Å; L25-M61 HydrophobicContact CG-CE 3.86Å; V31-M61 HydrophobicContact CG2-CB 4.31Å; Q57-M61 HydrophobicContact CG-SD 3.98Å; Q57-M61 WeakPolarHBondContact O-CB 3.43Å; Q57-M61 WeakPolarHBondContact O-CG 3.18Å; Q57-M61 PolarHBondContact O-N 3.1Å; L58-M61 CarbonylContact O-C 3.58Å; L58-M61 PolarHBondContact O-N 2.98Å; L59-M61 PolarHBondContact O-N 3.02Å
62G84.9Confident88.1Confident54 Ų5454.4 Ų54.456%0.55732%0.32SS*.THydrogen-bonded Turntrans89.819.5170.900000116.2L58 L59 S60L58-G62 PolarHBondContact O-N 2.85Å; L59-G62 PolarHBondContact O-N 3.42Å; S60-G62 VanDerWaalsContact C-N 3.29Å
63A90.1Very high88Confident9 Ų956.5 Ų56.57%0.07433%0.325CS..  trans-61.1134.7177.700000113.1V31 D32 L43 L58 I65V31-A63 HydrophobicContact CG1-CB 4.37Å; V31-A63 HydrophobicContact CG2-CB 3.86Å; D32-A63 WeakPolarHBondContact OD1-CA 3.38Å; L43-A63 HydrophobicContact CB-CB 4.22Å; L43-A63 HydrophobicContact CD2-CB 4Å; L58-A63 HydrophobicContact CB-CB 4.24Å; L58-A63 VanDerWaalsContact O-CB 3.25Å; L58-A63 WeakPolarHBondContact O-CB 3.39Å; L58-A63 PolarHBondContact O-N 3.04Å; A63-I65 PolarHBondContact O-N 3.07Å
64D85.9Confident88Confident66 Ų6653.4 Ų53.435%0.35331%0.305SS..  trans-79.7116.3-179.4-178.615.2000112.1D32 N66 M67D32-D64 PolarHBondContact OD1-N 3.03Å; D64-N66 PolarHBondContact O-N 2.91Å; D64-N66 WeakPolarHBondContact OD1-CB 3.3Å; D64-N66 PolarHBondContact OD1-N 2.7Å; D64-M67 HydrophobicContact CB-CG 3.83Å
65I88.8Confident87.9Confident24 Ų2452.5 Ų52.512%0.12330%0.301CS..THydrogen-bonded Turntrans-64-29.9177.3-55.4174.2000111.5L43 L59 A63 L91 I95L43-I65 HydrophobicContact CD2-CG1 4.26Å; L59-I65 HydrophobicContact CD2-CD1 3.86Å; L59-I65 HydrophobicContact CD2-CG1 3.61Å; A63-I65 PolarHBondContact O-N 3.07Å; I65-L91 HydrophobicContact CG1-CD2 4.41Å; I65-L91 HydrophobicContact CG2-CD2 4.29Å; I65-I95 HydrophobicContact CD1-CG1 4.4Å
66N86.6Confident87.9Confident95 Ų9554.8 Ų54.851%0.50831%0.313SS..THydrogen-bonded Turntrans-86.2-7.3-172.5-68.2-60.7000114.4D64D64-N66 PolarHBondContact O-N 2.91Å; D64-N66 WeakPolarHBondContact OD1-CB 3.3Å; D64-N66 PolarHBondContact OD1-N 2.7Å
67M85.8Confident87.7Confident46 Ų4652.5 Ų52.523%0.22730%0.304CS..  trans-55.3152.7171.7-76.9-72.7-82.600111.4D32 M34 T41 M44 D64 T74D32-M67 HydrophobicContact CB-CE 4.33Å; M34-M67 HydrophobicContact CE-CE 4.08Å; M34-M67 HydrophobicContact CG-CE 3.54Å; M34-M67 HydrophobicContact SD-CE 3.49Å; M34-M67 WeakPolarHBondContact SD-CE 3.46Å; T41-M67 HydrophobicContact CG2-CB 4.25Å; T41-M67 HydrophobicContact CG2-CE 4.18Å; M44-M67 HydrophobicContact CE-CB 3.8Å; M44-M67 WeakPolarHBondContact CE-O 3.28Å; D64-M67 HydrophobicContact CB-CG 3.83Å; M67-T74 WeakPolarHBondContact O-CA 3.24Å
68K89.6Confident87.7Confident117 Ų11749.3 Ų49.351%0.50929%0.289SS..  trans-133.2131.6-177-69.4177.8180-178.90112.3G72 W73 T74K68-G72 WeakPolarHBondContact CD-O 3.29Å; K68-W73 WeakPolarHBondContact CA-O 3.37Å; K68-T74 HydrophobicContact CG-CG2 3.89Å
69A87.4Confident87.7Confident7 Ų749.3 Ų49.36%0.05829%0.289CS..  trans-70.6173.7171.800000112T38 M44 N71 G72 W73 F78T38-A69 WeakPolarHBondContact O-CB 3.42Å; M44-A69 HydrophobicContact SD-CB 3.81Å; A69-N71 WeakPolarHBondContact CB-OD1 3.28Å; A69-N71 PolarHBondContact O-N 3.02Å; A69-G72 WeakPolarHBondContact O-CA 3.27Å; A69-G72 PolarHBondContact O-N 3.07Å; A69-W73 PolarHBondContact N-O 3.04Å; A69-W73 VanDerWaalsContact N-O 3.09Å; A69-F78 HydrophobicContact CB-CE2 3.82Å; A69-F78 HydrophobicContact CB-CZ 4.16Å
70S86.1Confident87.6Confident93 Ų9354.7 Ų54.765%0.6531%0.311SS*.THydrogen-bonded Turntrans-61-15.9-178.9-61.20000114.5T38 G39T38-S70 WeakPolarHBondContact O-CB 3.48Å; T38-S70 PolarHBondContact O-N 2.78Å; T38-S70 PolarHBondContact O-OG 2.8Å; G39-S70 PolarHBondContact N-OG 2.68Å
71N80.1Confident87.8Confident81 Ų8154.9 Ų54.943%0.43330%0.301SS..THydrogen-bonded Turntrans-89.2-117266.2-6000113.8A69 W73A69-N71 WeakPolarHBondContact CB-OD1 3.28Å; A69-N71 PolarHBondContact O-N 3.02Å; N71-W73 VanDerWaalsContact ND2-CE3 3.26Å; N71-W73 WeakPolarHBondContact OD1-CB 3.2Å; N71-W73 PolarHBondContact OD1-N 3.06Å
72G81.5Confident87.9Confident39 Ų3956.2 Ų56.240%0.40231%0.305SS..SBendtrans84.62.2-178.600000115.8K68 A69K68-G72 WeakPolarHBondContact CD-O 3.29Å; A69-G72 WeakPolarHBondContact O-CA 3.27Å; A69-G72 PolarHBondContact O-N 3.07Å
73W88.7Confident88.1Confident84 Ų8461.5 Ų61.532%0.31832%0.315SS..  trans-84.6137-176.6-67.41.1000112.8K68 A69 N71 D77 F78 H81K68-W73 WeakPolarHBondContact CA-O 3.37Å; A69-W73 PolarHBondContact N-O 3.04Å; A69-W73 VanDerWaalsContact N-O 3.09Å; N71-W73 VanDerWaalsContact ND2-CE3 3.26Å; N71-W73 WeakPolarHBondContact OD1-CB 3.2Å; N71-W73 PolarHBondContact OD1-N 3.06Å; W73-D77 HydrophobicContact CB-CB 3.74Å; W73-D77 HydrophobicContact CG-CB 3.96Å; W73-F78 HydrophobicContact CB-CD2 3.79Å; W73-F78 HydrophobicContact CB-CE2 3.7Å; W73-F78 HydrophobicContact CE3-CD1 4.16Å; W73-F78 HydrophobicContact CE3-CD2 4.29Å; W73-F78 HydrophobicContact CE3-CE1 4.13Å; W73-F78 HydrophobicContact CE3-CE2 4.27Å; W73-F78 HydrophobicContact CE3-CG 4.24Å; W73-F78 HydrophobicContact CE3-CZ 4.19Å; W73-H81 HydrophobicContact CE3-CB 4.38Å; W73-H81 HydrophobicContact CH2-CB 4.11Å; W73-H81 AromaticContact CH2-CD2 3.29Å; W73-H81 WeakPolarHBondContact CH2-CD2 3.49Å; W73-H81 AromaticContact CH2-CE1 3.92Å; W73-H81 AromaticContact CH2-CG 3.48Å; W73-H81 VanDerWaalsContact CH2-CG 3.48Å; W73-H81 AromaticContact CH2-ND1 3.87Å; W73-H81 AromaticContact CH2-NE2 3.59Å; W73-H81 HydrophobicContact CZ3-CB 3.82Å; W73-H81 AromaticContact CZ3-CD2 3.85Å; W73-H81 AromaticContact CZ3-CG 3.52Å; W73-H81 AromaticContact CZ3-ND1 3.76Å
74T91.7Very high88.2Confident20 Ų2064 Ų6412%0.12333%0.326CS..  trans-81.1170.1167.865.10000111.8M67 K68 L76 D77 F78M67-T74 WeakPolarHBondContact O-CA 3.24Å; K68-T74 HydrophobicContact CG-CG2 3.89Å; T74-L76 PolarHBondContact O-N 3.35Å; T74-L76 PolarHBondContact OG1-N 2.85Å; T74-D77 WeakPolarHBondContact CB-OD2 2.78Å; T74-D77 PolarHBondContact N-OD2 2.87Å; T74-D77 PolarHBondContact O-N 2.79Å; T74-D77 PolarHBondContact OG1-N 2.96Å; T74-D77 PolarHBondContact OG1-OD2 3.25Å; T74-F78 WeakPolarHBondContact O-CD2 3.39Å; T74-F78 PolarHBondContact O-N 2.84Å
75A91Very high88.2Confident1 Ų165 Ų651%0.00834%0.335CS..Hα-helixtrans-56.5-32.9172.900000112.7L43 M44 A47 A79 L91L43-A75 HydrophobicContact CD2-CB 4.08Å; L43-A75 HydrophobicContact CG-CB 3.91Å; M44-A75 HydrophobicContact CG-CB 4.14Å; A47-A75 HydrophobicContact CB-CB 4.33Å; A75-A79 PolarHBondContact O-N 3.48Å; A75-L91 HydrophobicContact CB-CD1 4.12Å; A75-L91 HydrophobicContact CB-CD2 4.19Å
76L90.8Very high88.1Confident49 Ų4970.1 Ų70.126%0.25736%0.358SS..Hα-helixtrans-71.4-37.7175.9-17664.3000112.3T74 A79 K80 M88 L91 K92T74-L76 PolarHBondContact O-N 3.35Å; T74-L76 PolarHBondContact OG1-N 2.85Å; L76-A79 PolarHBondContact O-N 3.45Å; L76-K80 VanDerWaalsContact O-CB 3.24Å; L76-K80 WeakPolarHBondContact O-CB 3.35Å; L76-K80 PolarHBondContact O-N 2.78Å; L76-M88 HydrophobicContact CD1-CB 4.07Å; L76-M88 HydrophobicContact CD1-CG 4.01Å; L76-L91 HydrophobicContact CB-CD1 4.4Å; L76-L91 HydrophobicContact CD1-CB 4.22Å; L76-L91 HydrophobicContact CD1-CD1 4.46Å; L76-K92 HydrophobicContact CD1-CG 4.36Å
77D87.4Confident88.1Confident61 Ų6165.7 Ų65.733%0.32633%0.334SS..Hα-helixtrans-66.8-38.7174.5-62.8-59.3000111.5W73 T74 K80 H81W73-D77 HydrophobicContact CB-CB 3.74Å; W73-D77 HydrophobicContact CG-CB 3.96Å; T74-D77 WeakPolarHBondContact CB-OD2 2.78Å; T74-D77 PolarHBondContact N-OD2 2.87Å; T74-D77 PolarHBondContact O-N 2.79Å; T74-D77 PolarHBondContact OG1-N 2.96Å; T74-D77 PolarHBondContact OG1-OD2 3.25Å; D77-K80 PolarHBondContact O-N 3.38Å; D77-H81 VanDerWaalsContact O-CB 3.31Å; D77-H81 WeakPolarHBondContact O-CB 3.31Å; D77-H81 PolarHBondContact O-N 2.91Å
78F89.8Confident88.2Confident10 Ų1065 Ų654%0.04433%0.331CS..Hα-helixtrans-60.6-52.4171.2-89.5-84.5000111.5F9 M44 A48 A69 W73 T74 K80 H81 F82F9-F78 HydrophobicContact CE2-CE1 4.33Å; M44-F78 HydrophobicContact CB-CD2 3.88Å; M44-F78 HydrophobicContact CB-CE2 4.15Å; M44-F78 HydrophobicContact CB-CG 4.32Å; M44-F78 HydrophobicContact CG-CD2 4.06Å; M44-F78 HydrophobicContact CG-CE2 4.3Å; M44-F78 HydrophobicContact SD-CD2 4.44Å; M44-F78 HydrophobicContact SD-CE2 4.12Å; A48-F78 HydrophobicContact CB-CB 4.1Å; A48-F78 HydrophobicContact CB-CD1 3.86Å; A48-F78 HydrophobicContact CB-CG 4.4Å; A69-F78 HydrophobicContact CB-CE2 3.82Å; A69-F78 HydrophobicContact CB-CZ 4.16Å; W73-F78 HydrophobicContact CB-CD2 3.79Å; W73-F78 HydrophobicContact CB-CE2 3.7Å; W73-F78 HydrophobicContact CE3-CD1 4.16Å; W73-F78 HydrophobicContact CE3-CD2 4.29Å; W73-F78 HydrophobicContact CE3-CE1 4.13Å; W73-F78 HydrophobicContact CE3-CE2 4.27Å; W73-F78 HydrophobicContact CE3-CG 4.24Å; W73-F78 HydrophobicContact CE3-CZ 4.19Å; T74-F78 WeakPolarHBondContact O-CD2 3.39Å; T74-F78 PolarHBondContact O-N 2.84Å; F78-K80 VanDerWaalsContact C-N 3.27Å; F78-K80 PolarHBondContact O-N 2.82Å; F78-H81 PolarHBondContact O-N 3.19Å; F78-F82 HydrophobicContact CD1-CD2 4.29Å; F78-F82 AromaticContact CD1-CE2 3.95Å; F78-F82 HydrophobicContact CD1-CE2 3.95Å; F78-F82 HydrophobicContact CE1-CE2 4.42Å; F78-F82 WeakPolarHBondContact O-CD2 3.27Å; F78-F82 PolarHBondContact O-N 3.07Å
79A91.9Very high88Confident0 Ų063.7 Ų63.70%033%0.329CS..Hα-helixtrans-56.7-41176.500000112.2A47 A75 L76 Q83 Q84 A87 M88 L91A47-A79 HydrophobicContact CB-CB 4.27Å; A75-A79 PolarHBondContact O-N 3.48Å; L76-A79 PolarHBondContact O-N 3.45Å; A79-Q83 PolarHBondContact O-N 3.41Å; A79-Q84 HydrophobicContact CB-CB 4.36Å; A79-Q84 PolarHBondContact O-N 2.97Å; A79-A87 HydrophobicContact CB-CB 4.19Å; A79-M88 HydrophobicContact CB-CG 3.64Å; A79-L91 HydrophobicContact CB-CD1 4.16Å
80K88.9Confident88Confident141 Ų14164.3 Ų64.361%0.61333%0.332SS*.Hα-helixtrans-67-43.3177.6-175.5-178.7178.1-175.10112.9L76 D77 F78 Q83 M88L76-K80 VanDerWaalsContact O-CB 3.24Å; L76-K80 WeakPolarHBondContact O-CB 3.35Å; L76-K80 PolarHBondContact O-N 2.78Å; D77-K80 PolarHBondContact O-N 3.38Å; F78-K80 VanDerWaalsContact C-N 3.27Å; F78-K80 PolarHBondContact O-N 2.82Å; K80-Q83 PolarHBondContact O-N 2.85Å; K80-M88 HydrophobicContact CB-SD 3.8Å; K80-M88 HydrophobicContact CG-SD 4.18Å
81H89.7Confident88.1Confident105 Ų10560 Ų6049%0.48630%0.301SS..Hα-helixtrans-65-43178.9179.3-90.8000111.8W73 D77 F78 Q83W73-H81 HydrophobicContact CE3-CB 4.38Å; W73-H81 HydrophobicContact CH2-CB 4.11Å; W73-H81 AromaticContact CH2-CD2 3.29Å; W73-H81 WeakPolarHBondContact CH2-CD2 3.49Å; W73-H81 AromaticContact CH2-CE1 3.92Å; W73-H81 AromaticContact CH2-CG 3.48Å; W73-H81 VanDerWaalsContact CH2-CG 3.48Å; W73-H81 AromaticContact CH2-ND1 3.87Å; W73-H81 AromaticContact CH2-NE2 3.59Å; W73-H81 HydrophobicContact CZ3-CB 3.82Å; W73-H81 AromaticContact CZ3-CD2 3.85Å; W73-H81 AromaticContact CZ3-CG 3.52Å; W73-H81 AromaticContact CZ3-ND1 3.76Å; D77-H81 VanDerWaalsContact O-CB 3.31Å; D77-H81 WeakPolarHBondContact O-CB 3.31Å; D77-H81 PolarHBondContact O-N 2.91Å; F78-H81 PolarHBondContact O-N 3.19Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 2.79Å
82F88.4Confident88.2Confident78 Ų7860.7 Ų60.734%0.34230%0.3SS..THydrogen-bonded Turntrans-87.811.5177.8-67.9-81.7000113.6F9 A48 F78 Q84F9-F82 HydrophobicContact CE2-CE2 4.33Å; F9-F82 HydrophobicContact CE2-CZ 4.37Å; F9-F82 HydrophobicContact CZ-CE2 4.3Å; F9-F82 HydrophobicContact CZ-CZ 4.02Å; A48-F82 HydrophobicContact CB-CD2 3.8Å; A48-F82 HydrophobicContact CB-CE2 4.24Å; A48-F82 HydrophobicContact CB-CG 4.39Å; A48-F82 WeakPolarHBondContact O-CB 3.38Å; F78-F82 HydrophobicContact CD1-CD2 4.29Å; F78-F82 AromaticContact CD1-CE2 3.95Å; F78-F82 HydrophobicContact CD1-CE2 3.95Å; F78-F82 HydrophobicContact CE1-CE2 4.42Å; F78-F82 WeakPolarHBondContact O-CD2 3.27Å; F78-F82 PolarHBondContact O-N 3.07Å; F82-Q84 VanDerWaalsContact C-N 3.26Å; F82-Q84 HydrophobicContact CB-CG 4.26Å; F82-Q84 PolarHBondContact O-N 3.31Å
83Q90.8Very high88.2Confident165 Ų16563.4 Ų63.477%0.77131%0.313SS*.THydrogen-bonded Turntrans60.725.2171.8-53179.730.900115.4A79 K80 H81 T85A79-Q83 PolarHBondContact O-N 3.41Å; K80-Q83 PolarHBondContact O-N 2.85Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 2.79Å; Q83-T85 PolarHBondContact O-N 3.29Å
84Q91.1Very high87.4Confident61 Ų6161.8 Ų61.829%0.28531%0.314SS..  trans-80.584.6-178-58.4-67.3-300111.1A47 A48 R49 A79 F82 E86 A87 M88A47-Q84 WeakPolarHBondContact O-CG 3.49Å; A48-Q84 WeakPolarHBondContact O-CG 3.39Å; A48-Q84 PolarHBondContact O-NE2 3.09Å; R49-Q84 PolarHBondContact O-NE2 2.81Å; A79-Q84 HydrophobicContact CB-CB 4.36Å; A79-Q84 PolarHBondContact O-N 2.97Å; F82-Q84 VanDerWaalsContact C-N 3.26Å; F82-Q84 HydrophobicContact CB-CG 4.26Å; F82-Q84 PolarHBondContact O-N 3.31Å; Q84-E86 PolarHBondContact O-N 3.22Å; Q84-A87 HydrophobicContact CB-CB 3.82Å; Q84-A87 PolarHBondContact O-N 2.81Å; Q84-M88 WeakPolarHBondContact O-CG 3.48Å; Q84-M88 PolarHBondContact O-N 2.99Å
85T86.6Confident86.3Confident89 Ų8964 Ų6455%0.54633%0.325SS..Hα-helixtrans-58.2-49.6-175.445.70000113.5Q83 A87 M88 D89Q83-T85 PolarHBondContact O-N 3.29Å; T85-A87 VanDerWaalsContact C-N 3.33Å; T85-A87 PolarHBondContact O-N 3.48Å; T85-M88 HydrophobicContact CG2-CE 4.17Å; T85-M88 WeakPolarHBondContact O-CB 3.41Å; T85-M88 PolarHBondContact O-N 3.33Å; T85-D89 PolarHBondContact O-N 3.25Å; T85-D89 VanDerWaalsContact O-N 3.11Å
86E87Confident84.5Confident131 Ų13168.3 Ų68.361%0.61235%0.353SS*.Hα-helixtrans-67.2-34.8-177.8-64.3178.9-143.800111.9L52 Q84 D89 I90L52-E86 HydrophobicContact CD1-CB 3.66Å; L52-E86 HydrophobicContact CD1-CG 4.48Å; L52-E86 WeakPolarHBondContact CD1-OE2 3.48Å; L52-E86 HydrophobicContact CD2-CB 3.95Å; L52-E86 HydrophobicContact CG-CB 4.48Å; Q84-E86 PolarHBondContact O-N 3.22Å; E86-D89 PolarHBondContact O-N 3.27Å; E86-I90 WeakPolarHBondContact O-CG1 3.27Å; E86-I90 PolarHBondContact O-N 2.92Å
87A86.5Confident82.3Confident1 Ų174.3 Ų74.31%0.00838%0.384CS..Hα-helixtrans-67.1-4017300000112L52 A79 Q84 T85 D89 I90 L91L52-A87 HydrophobicContact CD2-CB 3.89Å; A79-A87 HydrophobicContact CB-CB 4.19Å; Q84-A87 HydrophobicContact CB-CB 3.82Å; Q84-A87 PolarHBondContact O-N 2.81Å; T85-A87 VanDerWaalsContact C-N 3.33Å; T85-A87 PolarHBondContact O-N 3.48Å; A87-D89 VanDerWaalsContact C-N 3.3Å; A87-D89 PolarHBondContact O-N 2.74Å; A87-I90 PolarHBondContact O-N 3.17Å; A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.49Å; A87-L91 PolarHBondContact O-N 3.42Å
88M86.7Confident80.2Confident33 Ų3374.4 Ų74.416%0.16340%0.4CS..Hα-helixtrans-59.7-39.8173.7-75.4-166.9-72.900112.1L76 A79 K80 Q84 T85 L91 K92L76-M88 HydrophobicContact CD1-CB 4.07Å; L76-M88 HydrophobicContact CD1-CG 4.01Å; A79-M88 HydrophobicContact CB-CG 3.64Å; K80-M88 HydrophobicContact CB-SD 3.8Å; K80-M88 HydrophobicContact CG-SD 4.18Å; Q84-M88 WeakPolarHBondContact O-CG 3.48Å; Q84-M88 PolarHBondContact O-N 2.99Å; T85-M88 HydrophobicContact CG2-CE 4.17Å; T85-M88 WeakPolarHBondContact O-CB 3.41Å; T85-M88 PolarHBondContact O-N 3.33Å; M88-L91 PolarHBondContact O-N 3.39Å; M88-K92 WeakPolarHBondContact O-CB 3.25Å; M88-K92 WeakPolarHBondContact O-CD 3.27Å; M88-K92 WeakPolarHBondContact O-CG 3.23Å; M88-K92 PolarHBondContact O-N 3.39Å
89D86Confident77.9Confident88 Ų8879 Ų7947%0.47142%0.421SS..Hα-helixtrans-78.4-32.5-176.4-68.3-18.6000112.5T85 E86 A87 K92 S93T85-D89 PolarHBondContact O-N 3.25Å; T85-D89 VanDerWaalsContact O-N 3.11Å; E86-D89 PolarHBondContact O-N 3.27Å; A87-D89 VanDerWaalsContact C-N 3.3Å; A87-D89 PolarHBondContact O-N 2.74Å; D89-K92 IonicContact OD1-NZ 2.66Å; D89-K92 PolarHBondContact OD1-NZ 2.89Å; D89-S93 WeakPolarHBondContact O-CB 3.32Å; D89-S93 PolarHBondContact O-N 3.4Å; D89-S93 PolarHBondContact O-OG 2.76Å
90I87.8Confident75.2Confident21 Ų2184.5 Ų84.511%0.10846%0.455CS..Hα-helixtrans-60.7-47166.3-69.9163.9000110.8L52 T55 Q56 L59 E86 A87 S93 S94L52-I90 HydrophobicContact CB-CD1 3.85Å; L52-I90 HydrophobicContact CD2-CD1 4.07Å; L52-I90 HydrophobicContact CG-CD1 4.36Å; T55-I90 HydrophobicContact CG2-CG2 4.29Å; Q56-I90 HydrophobicContact CG-CD1 4.08Å; Q56-I90 HydrophobicContact CG-CG1 4.44Å; Q56-I90 HydrophobicContact CG-CG2 3.81Å; L59-I90 HydrophobicContact CD1-CG2 3.73Å; E86-I90 WeakPolarHBondContact O-CG1 3.27Å; E86-I90 PolarHBondContact O-N 2.92Å; A87-I90 PolarHBondContact O-N 3.17Å; I90-S93 PolarHBondContact O-N 3.08Å; I90-S93 PolarHBondContact O-OG 2.95Å; I90-S93 VanDerWaalsContact O-OG 3.14Å; I90-S94 WeakPolarHBondContact O-CB 3.49Å; I90-S94 PolarHBondContact O-N 3.16Å; I90-S94 VanDerWaalsContact O-N 3.08Å; I90-S94 PolarHBondContact O-OG 3.2Å
91L87.4Confident72.5Confident1 Ų181.6 Ų81.61%0.00545%0.453CS..Hα-helixtrans-63.6-46.8178.8-72.4168.4000111.9L43 A47 T55 L59 I65 A75 L76 A79 A87 M88 S93 S94 I95L43-L91 HydrophobicContact CD1-CD2 4.25Å; L43-L91 HydrophobicContact CD2-CD2 4.3Å; L43-L91 HydrophobicContact CG-CD2 4.38Å; A47-L91 HydrophobicContact CB-CD1 3.86Å; T55-L91 HydrophobicContact CG2-CD2 4.46Å; L59-L91 HydrophobicContact CD1-CD2 4.2Å; L59-L91 HydrophobicContact CD2-CD2 4.27Å; I65-L91 HydrophobicContact CG1-CD2 4.41Å; I65-L91 HydrophobicContact CG2-CD2 4.29Å; A75-L91 HydrophobicContact CB-CD1 4.12Å; A75-L91 HydrophobicContact CB-CD2 4.19Å; L76-L91 HydrophobicContact CB-CD1 4.4Å; L76-L91 HydrophobicContact CD1-CB 4.22Å; L76-L91 HydrophobicContact CD1-CD1 4.46Å; A79-L91 HydrophobicContact CB-CD1 4.16Å; A87-L91 WeakPolarHBondContact O-CB 3.37Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.49Å; A87-L91 PolarHBondContact O-N 3.42Å; M88-L91 PolarHBondContact O-N 3.39Å; L91-S93 PolarHBondContact O-N 2.93Å; L91-S94 PolarHBondContact O-N 2.74Å; L91-I95 PolarHBondContact O-N 2.95Å
92K83.1Confident70.1Confident97 Ų9780.5 Ų80.542%0.42246%0.457SS..Hα-helixtrans-60.3-43.3176.9-70.6164.4-154.2158.60112.7L76 M88 D89 S94 I95L76-K92 HydrophobicContact CD1-CG 4.36Å; M88-K92 WeakPolarHBondContact O-CB 3.25Å; M88-K92 WeakPolarHBondContact O-CD 3.27Å; M88-K92 WeakPolarHBondContact O-CG 3.23Å; M88-K92 PolarHBondContact O-N 3.39Å; D89-K92 IonicContact OD1-NZ 2.66Å; D89-K92 PolarHBondContact OD1-NZ 2.89Å; K92-S94 PolarHBondContact O-N 2.81Å; K92-I95 WeakPolarHBondContact O-CB 3.32Å; K92-I95 PolarHBondContact O-N 3.03Å
93S80.6Confident67.6Low96 Ų9683.7 Ų83.767%0.67148%0.476SS*.Hα-helixtrans-73.7-14.8-179.854.50000113.5D89 I90 L91D89-S93 WeakPolarHBondContact O-CB 3.32Å; D89-S93 PolarHBondContact O-N 3.4Å; D89-S93 PolarHBondContact O-OG 2.76Å; I90-S93 PolarHBondContact O-N 3.08Å; I90-S93 PolarHBondContact O-OG 2.95Å; I90-S93 VanDerWaalsContact O-OG 3.14Å; L91-S93 PolarHBondContact O-N 2.93Å
94S72.8Confident64.8Low49 Ų4983.5 Ų83.534%0.34348%0.476SS..THydrogen-bonded Turntrans-90.2-5.2173.8-55.10000113.6I90 L91 K92 P96I90-S94 WeakPolarHBondContact O-CB 3.49Å; I90-S94 PolarHBondContact O-N 3.16Å; I90-S94 VanDerWaalsContact O-N 3.08Å; I90-S94 PolarHBondContact O-OG 3.2Å; L91-S94 PolarHBondContact O-N 2.74Å; K92-S94 PolarHBondContact O-N 2.81Å; S94-P96 WeakPolarHBondContact O-CD 3.49Å
95I68.9Low62.2Low66 Ų6685.9 Ų85.934%0.33849%0.487SS..SBendtrans-71123.9169.9-59.4172.7000108.2I65 L91 K92 E99I65-I95 HydrophobicContact CD1-CG1 4.4Å; L91-I95 PolarHBondContact O-N 2.95Å; K92-I95 WeakPolarHBondContact O-CB 3.32Å; K92-I95 PolarHBondContact O-N 3.03Å; I95-E99 HydrophobicContact CG2-CB 4.26Å
96P52.1Low59.7Low92 Ų9285.9 Ų85.960%0.59749%0.49SS*.  trans-59.5143.2178.1-2535.3000112.5S94 G98 E99S94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-G98 PolarHBondContact O-N 3.3Å; P96-E99 PolarHBondContact O-N 3.33Å
97L44.1Very low57.3Low175 Ų17582.3 Ų82.392%0.91648%0.483SS*.THydrogen-bonded Turntrans-64.518.5-178.7-94.7154.9000115.7
98G44.2Very low55Low64 Ų6488.1 Ų88.166%0.6651%0.513SS*.THydrogen-bonded Turntrans-103.1-15.2173.700000115.4P96P96-G98 PolarHBondContact O-N 3.3Å
99E40.8Very low52.8Low105 Ų10589.5 Ų89.549%0.49152%0.524SS..  trans-95.58.9-173.5-62.6-162.5134.200114.9I95 P96 S101 S102I95-E99 HydrophobicContact CG2-CB 4.26Å; P96-E99 PolarHBondContact O-N 3.33Å; E99-S101 PolarHBondContact O-N 3.23Å; E99-S102 PolarHBondContact O-OG 3.25Å
100V35.6Very low50.4Low116 Ų11693.6 Ų93.670%0.70354%0.54SS*.THydrogen-bonded Turntrans-81.137.3176.7-158.30000112.2
101S33.1Very low48Very low81 Ų8196.9 Ų96.957%0.56656%0.564SS**THydrogen-bonded Turntrans-109.7-12.9172.653.30000112.8E99 L103 E104E99-S101 PolarHBondContact O-N 3.23Å; S101-L103 PolarHBondContact O-N 3.17Å; S101-E104 PolarHBondContact O-N 3.32Å
102S38.2Very low45.6Very low82 Ų82100.6 Ų100.657%0.57359%0.59SS**THydrogen-bonded Turntrans-61.7-10.8-177.348.30000115.7E99E99-S102 PolarHBondContact O-OG 3.25Å
103L35.6Very low43.6Very low144 Ų144101.5 Ų101.575%0.75461%0.605SS**THydrogen-bonded Turntrans-86.6-15.1179.1-72.9172.7000114.7S101S101-L103 PolarHBondContact O-N 3.17Å
104E33.3Very low42.4Very low162 Ų162101.3 Ų101.376%0.75760%0.6SS**THydrogen-bonded Turntrans-100.1-32.5-179.1-66.5-160.6144.900114.5S101 S106 A107S101-E104 PolarHBondContact O-N 3.32Å; E104-S106 PolarHBondContact O-N 3.4Å; E104-A107 VanDerWaalsContact O-CB 3.28Å; E104-A107 WeakPolarHBondContact O-CB 3.46Å; E104-A107 PolarHBondContact O-N 2.75Å
105E36Very low41.8Very low111 Ų111107.5 Ų107.552%0.51962%0.624SS.*G310 helixtrans-63.9-26.2177.4-73.3-165.6121.500113A107 L108E105-A107 PolarHBondContact O-N 3.03Å; E105-A107 VanDerWaalsContact O-N 3.16Å; E105-L108 PolarHBondContact O-N 3.29Å; E105-L108 VanDerWaalsContact O-N 3.08Å
106S34.6Very low42.1Very low89 Ų89107.9 Ų107.962%0.62263%0.626SS**G310 helixtrans-58.2-24.5171.1-66.60000113.2E104E104-S106 PolarHBondContact O-N 3.4Å
107A35.5Very low43.8Very low56 Ų56106 Ų10646%0.46362%0.615SS.*G310 helixtrans-76.1-24.4177.300000113.3E104 E105 V109 Q110E104-A107 VanDerWaalsContact O-CB 3.28Å; E104-A107 WeakPolarHBondContact O-CB 3.46Å; E104-A107 PolarHBondContact O-N 2.75Å; E105-A107 PolarHBondContact O-N 3.03Å; E105-A107 VanDerWaalsContact O-N 3.16Å; A107-V109 VanDerWaalsContact C-N 3.26Å; A107-V109 PolarHBondContact O-N 3.01Å; A107-Q110 WeakPolarHBondContact O-CG 3.41Å
108L38.2Very low45.6Very low122 Ų122102.5 Ų102.564%0.63961%0.606SS**G310 helixtrans-80.4-7.5-178.6-64.3177000113.3E105 K269E105-L108 PolarHBondContact O-N 3.29Å; E105-L108 VanDerWaalsContact O-N 3.08Å; L108-K269 PolarHBondContact O-NZ 3.19Å
109V41.7Very low47.8Very low63 Ų63106.8 Ų106.838%0.38261%0.609SS.*G310 helixtrans-124.254168.9-162.90000110.3A107 C111 L266A107-V109 VanDerWaalsContact C-N 3.26Å; A107-V109 PolarHBondContact O-N 3.01Å; V109-C111 PolarHBondContact O-N 3.16Å; V109-L266 HydrophobicContact CG2-CD2 4.05Å
110Q35.3Very low49.9Very low174 Ų174106.6 Ų106.681%0.81361%0.607SS**  trans-64.274.5161.3-78.9-176.3500111.5A107A107-Q110 WeakPolarHBondContact O-CG 3.41Å
111C36.9Very low52.1Low89 Ų89105.4 Ų105.460%0.60159%0.594SS**  trans-94.5133.8141.7-68.90000106.4V109V109-C111 PolarHBondContact O-N 3.16Å
112S36.6Very low54.8Low80 Ų80105.1 Ų105.156%0.55958%0.584SS**  trans-56.1148.7169.945.30000110.4T114 R286S112-T114 PolarHBondContact O-N 2.81Å; S112-T114 PolarHBondContact O-OG1 3.15Å; S112-R286 PolarHBondContact O-NH2 3.4Å
113P42Very low57.1Low115 Ų115106.6 Ų106.675%0.74759%0.585SS**  trans-72.467.6163.633.3-34.4000108.7E115P113-E115 VanDerWaalsContact C-N 3.31Å; P113-E115 PolarHBondContact O-N 2.84Å
114T54.7Low59.5Low92 Ų92102.5 Ų102.556%0.56456%0.564SS**  trans-55.9106149.119.70000106.4S112 L116 R286S112-T114 PolarHBondContact O-N 2.81Å; S112-T114 PolarHBondContact O-OG1 3.15Å; T114-L116 PolarHBondContact O-N 3.2Å; T114-R286 PolarHBondContact O-NH1 2.76Å
115E61.3Low62Low180 Ų18099.6 Ų99.684%0.84155%0.548SS*.PPolyproline II helixtrans-64127164.6-61.4-173.9142.600106.8P113 S117P113-E115 VanDerWaalsContact C-N 3.31Å; P113-E115 PolarHBondContact O-N 2.84Å; E115-S117 PolarHBondContact O-N 3.04Å
116L74.6Confident64.4Low74 Ų7499.3 Ų99.339%0.38755%0.547SS..PPolyproline II helixtrans-62137176.7-69.2169.2000108.5T114 E120 Q121 L124T114-L116 PolarHBondContact O-N 3.2Å; L116-E120 WeakPolarHBondContact CA-OE2 3.46Å; L116-E120 HydrophobicContact CB-CB 4.05Å; L116-E120 HydrophobicContact CD2-CB 4.12Å; L116-Q121 HydrophobicContact CB-CG 3.65Å; L116-Q121 PolarHBondContact O-NE2 3.5Å; L116-L124 HydrophobicContact CD1-CD2 3.96Å
117S86.8Confident67Low51 Ų5198.1 Ų98.136%0.35753%0.529SS..PPolyproline II helixtrans-59.5158.1175.391.10000110.7E115 E119 E120 Q121E115-S117 PolarHBondContact O-N 3.04Å; S117-E119 PolarHBondContact O-N 3.27Å; S117-E119 VanDerWaalsContact O-N 3.1Å; S117-E119 PolarHBondContact OG-N 3.32Å; S117-E120 PolarHBondContact N-OE2 2.67Å; S117-E120 PolarHBondContact O-N 3.49Å; S117-E120 WeakPolarHBondContact OG-CG 3.41Å; S117-E120 PolarHBondContact OG-N 2.95Å; S117-E120 VanDerWaalsContact OG-N 3.12Å; S117-Q121 WeakPolarHBondContact O-CG 3.43Å; S117-Q121 PolarHBondContact O-N 3.23Å
118S83.8Confident69.3Low103 Ų10399 Ų9972%0.7252%0.524SS*.Hα-helixtrans-55-31.4176.8-52.80000112.7E122S118-E122 WeakPolarHBondContact O-CB 3.45Å; S118-E122 PolarHBondContact O-N 3.33Å
119E88.7Confident71.5Confident154 Ų154101.1 Ų101.172%0.7253%0.53SS*.Hα-helixtrans-74.3-44.7176.2-59.7178.8173.900111.6S117 Q121 E122 L123S117-E119 PolarHBondContact O-N 3.27Å; S117-E119 VanDerWaalsContact O-N 3.1Å; S117-E119 PolarHBondContact OG-N 3.32Å; E119-Q121 VanDerWaalsContact C-N 3.35Å; E119-Q121 PolarHBondContact O-N 2.94Å; E119-E122 PolarHBondContact O-N 3.01Å; E119-L123 WeakPolarHBondContact O-CG 3.42Å; E119-L123 PolarHBondContact O-N 2.9Å
120E85.6Confident73.6Confident100 Ų100102.9 Ų102.947%0.46755%0.545SS..Hα-helixtrans-63.8-39.1176.2-68.4176.8130.900112L116 S117 E122 L124L116-E120 WeakPolarHBondContact CA-OE2 3.46Å; L116-E120 HydrophobicContact CB-CB 4.05Å; L116-E120 HydrophobicContact CD2-CB 4.12Å; S117-E120 PolarHBondContact N-OE2 2.67Å; S117-E120 PolarHBondContact O-N 3.49Å; S117-E120 WeakPolarHBondContact OG-CG 3.41Å; S117-E120 PolarHBondContact OG-N 2.95Å; S117-E120 VanDerWaalsContact OG-N 3.12Å; E120-E122 VanDerWaalsContact C-N 3.32Å; E120-L124 VanDerWaalsContact O-CB 3.3Å; E120-L124 WeakPolarHBondContact O-CB 3.3Å; E120-L124 PolarHBondContact O-N 2.68Å
121Q82.5Confident76.1Confident91 Ų9196.5 Ų96.543%0.42552%0.515SS..Hα-helixtrans-63-39.6174-69.7-176.736.400111.6L116 S117 E119 L124 K125L116-Q121 HydrophobicContact CB-CG 3.65Å; L116-Q121 PolarHBondContact O-NE2 3.5Å; S117-Q121 WeakPolarHBondContact O-CG 3.43Å; S117-Q121 PolarHBondContact O-N 3.23Å; E119-Q121 VanDerWaalsContact C-N 3.35Å; E119-Q121 PolarHBondContact O-N 2.94Å; Q121-L124 PolarHBondContact O-N 3.29Å; Q121-K125 WeakPolarHBondContact O-CG 3.39Å; Q121-K125 PolarHBondContact O-N 3.14Å
122E88.3Confident78.3Confident75 Ų7595.1 Ų95.135%0.3550%0.501SS..Hα-helixtrans-72.6-43-180-172.750.4-141.500111.8S118 E119 E120 L124 K125 Q126S118-E122 WeakPolarHBondContact O-CB 3.45Å; S118-E122 PolarHBondContact O-N 3.33Å; E119-E122 PolarHBondContact O-N 3.01Å; E120-E122 VanDerWaalsContact C-N 3.32Å; E122-L124 VanDerWaalsContact C-N 3.28Å; E122-L124 PolarHBondContact O-N 3.43Å; E122-K125 WeakPolarHBondContact O-CB 3.25Å; E122-K125 PolarHBondContact O-N 3.39Å; E122-K125 WeakPolarHBondContact OE2-CD 3.41Å; E122-K125 IonicContact OE2-NZ 3.18Å; E122-K125 PolarHBondContact OE2-NZ 3.48Å; E122-Q126 WeakPolarHBondContact O-CG 3.32Å; E122-Q126 PolarHBondContact O-N 2.89Å; E122-Q126 PolarHBondContact OE1-NE2 3.44Å
123L87.6Confident80.5Confident114 Ų11493.2 Ų93.260%0.59749%0.485SS*.Hα-helixtrans-57.3-41.1170.4-71.3169.5000111.9E119 Q126 Y127E119-L123 WeakPolarHBondContact O-CG 3.42Å; E119-L123 PolarHBondContact O-N 2.9Å; L123-Q126 PolarHBondContact O-N 3.11Å; L123-Y127 PolarHBondContact O-N 2.95Å
124L85.4Confident82.4Confident58 Ų5894.9 Ų94.930%0.30448%0.483SS..Hα-helixtrans-66.7-38.2177-176.860.3000112.5L116 E120 Q121 E122 H128L116-L124 HydrophobicContact CD1-CD2 3.96Å; E120-L124 VanDerWaalsContact O-CB 3.3Å; E120-L124 WeakPolarHBondContact O-CB 3.3Å; E120-L124 PolarHBondContact O-N 2.68Å; Q121-L124 PolarHBondContact O-N 3.29Å; E122-L124 VanDerWaalsContact C-N 3.28Å; E122-L124 PolarHBondContact O-N 3.43Å; L124-H128 WeakPolarHBondContact CD1-NE2 3.49Å; L124-H128 VanDerWaalsContact CG-NE2 3.33Å; L124-H128 WeakPolarHBondContact CG-NE2 3.46Å; L124-H128 PolarHBondContact O-CD2 3.02Å; L124-H128 PolarHBondContact O-N 2.89Å
125K85.3Confident83.9Confident101 Ų10197.4 Ų97.444%0.43948%0.482SS..Hα-helixtrans-63.3-43.9171.9-69.7172.1-146.8153.80111.3Q121 E122 Y127 H128 H129Q121-K125 WeakPolarHBondContact O-CG 3.39Å; Q121-K125 PolarHBondContact O-N 3.14Å; E122-K125 WeakPolarHBondContact O-CB 3.25Å; E122-K125 PolarHBondContact O-N 3.39Å; E122-K125 WeakPolarHBondContact OE2-CD 3.41Å; E122-K125 IonicContact OE2-NZ 3.18Å; E122-K125 PolarHBondContact OE2-NZ 3.48Å; K125-Y127 VanDerWaalsContact C-N 3.35Å; K125-H128 PolarHBondContact O-N 2.97Å; K125-H129 PolarHBondContact O-N 3.08Å; K125-H129 PolarHBondContact O-ND1 2.99Å
126Q87.8Confident85.3Confident104 Ų10490 Ų9049%0.48645%0.449SS..Hα-helixtrans-66-37.8-179.4-70.1173.819.400111.6E122 L123 H129 S130E122-Q126 WeakPolarHBondContact O-CG 3.32Å; E122-Q126 PolarHBondContact O-N 2.89Å; E122-Q126 PolarHBondContact OE1-NE2 3.44Å; L123-Q126 PolarHBondContact O-N 3.11Å; Q126-H129 PolarHBondContact O-N 3.43Å; Q126-S130 WeakPolarHBondContact O-CB 3.23Å; Q126-S130 PolarHBondContact O-N 2.88Å; Q126-S130 PolarHBondContact O-OG 3.05Å
127Y87.8Confident86.3Confident65 Ų6587.8 Ų87.826%0.25544%0.438SS..Hα-helixtrans-59.2-50.4168.9179-93.5000111.5L123 K125 H129 S130 F131 L140L123-Y127 PolarHBondContact O-N 2.95Å; K125-Y127 VanDerWaalsContact C-N 3.35Å; Y127-H129 VanDerWaalsContact C-N 3.25Å; Y127-H129 PolarHBondContact O-N 3.01Å; Y127-S130 PolarHBondContact O-N 3.17Å; Y127-S130 VanDerWaalsContact O-N 3.11Å; Y127-S130 PolarHBondContact O-OG 3.38Å; Y127-F131 HydrophobicContact CD2-CB 4.5Å; Y127-F131 HydrophobicContact CE1-CB 4.25Å; Y127-F131 HydrophobicContact CE2-CB 4.12Å; Y127-F131 HydrophobicContact CE2-CG 4.35Å; Y127-F131 WeakPolarHBondContact O-CB 3.42Å; Y127-F131 PolarHBondContact O-N 3.47Å; Y127-L140 HydrophobicContact CE2-CD2 4.46Å
128H84.8Confident86.6Confident74 Ų7486.3 Ų86.334%0.34343%0.425SS..Hα-helixtrans-65.3-21.4179.3-75.6-52.9000114.7L124 K125 S285L124-H128 WeakPolarHBondContact CD1-NE2 3.49Å; L124-H128 VanDerWaalsContact CG-NE2 3.33Å; L124-H128 WeakPolarHBondContact CG-NE2 3.46Å; L124-H128 PolarHBondContact O-CD2 3.02Å; L124-H128 PolarHBondContact O-N 2.89Å; K125-H128 PolarHBondContact O-N 2.97Å; H128-S285 WeakPolarHBondContact NE2-CB 3.42Å; H128-S285 PolarHBondContact NE2-OG 2.72Å; H128-S285 VanDerWaalsContact NE2-OG 3.08Å
129H85.1Confident87.1Confident167 Ų16785.6 Ų85.677%0.77341%0.414SS*.Hα-helixtrans-87.3-24.7172.3-75.179.7000113.7K125 Q126 Y127K125-H129 PolarHBondContact O-N 3.08Å; K125-H129 PolarHBondContact O-ND1 2.99Å; Q126-H129 PolarHBondContact O-N 3.43Å; Y127-H129 VanDerWaalsContact C-N 3.25Å; Y127-H129 PolarHBondContact O-N 3.01Å
130S85.3Confident87.4Confident100 Ų10081.6 Ų81.670%0.69940%0.397SS*.Hα-helixtrans-96.6-23.7-177.456.40000113.8Q126 Y127Q126-S130 WeakPolarHBondContact O-CB 3.23Å; Q126-S130 PolarHBondContact O-N 2.88Å; Q126-S130 PolarHBondContact O-OG 3.05Å; Y127-S130 PolarHBondContact O-N 3.17Å; Y127-S130 VanDerWaalsContact O-N 3.11Å; Y127-S130 PolarHBondContact O-OG 3.38Å
131F86.9Confident87.9Confident39 Ų3976.9 Ų76.917%0.17138%0.375CS..SBendtrans-105.4137.8-179.1-166.8-93.7000113.4Y127 D133 R135 D137Y127-F131 HydrophobicContact CD2-CB 4.5Å; Y127-F131 HydrophobicContact CE1-CB 4.25Å; Y127-F131 HydrophobicContact CE2-CB 4.12Å; Y127-F131 HydrophobicContact CE2-CG 4.35Å; Y127-F131 WeakPolarHBondContact O-CB 3.42Å; Y127-F131 PolarHBondContact O-N 3.47Å; F131-D133 PolarHBondContact O-N 3.14Å; F131-R135 HydrophobicContact CE1-CB 4.37Å; F131-R135 HydrophobicContact CZ-CB 3.98Å; F131-D137 HydrophobicContact CD2-CB 4.18Å; F131-D137 HydrophobicContact CE1-CB 4.3Å; F131-D137 HydrophobicContact CE2-CB 3.6Å; F131-D137 HydrophobicContact CZ-CB 3.69Å
132D83.9Confident88.6Confident60 Ų6072.6 Ų72.632%0.32136%0.355SS..  trans-80.3104.5176.4164.817.4000110.7Q134 R135D132-Q134 PolarHBondContact O-N 2.81Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.37Å; D132-Q134 PolarHBondContact OD1-N 3.4Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 WeakPolarHBondContact OD2-CD 3.35Å; D132-R135 WeakPolarHBondContact OD2-CG 3.27Å; D132-R135 IonicContact OD2-CZ 2.91Å; D132-R135 IonicContact OD2-NE 2.92Å; D132-R135 PolarHBondContact OD2-NE 2.83Å; D132-R135 IonicContact OD2-NH2 3.09Å
133D82.7Confident88.9Confident41 Ų4172.4 Ų72.422%0.21936%0.359CS..THydrogen-bonded Turntrans-64.60.6-175.2-153.144.3000114.8F131 K240 W259 R288F131-D133 PolarHBondContact O-N 3.14Å; D133-K240 PolarHBondContact O-NZ 3.22Å; D133-W259 VanDerWaalsContact OD1-CZ2 3.29Å; D133-W259 WeakPolarHBondContact OD1-CZ2 3.44Å; D133-W259 WeakPolarHBondContact OD2-CZ2 3.4Å; D133-R288 IonicContact OD2-CZ 3.63Å; D133-R288 IonicContact OD2-NE 3.88Å; D133-R288 PolarHBondContact OD2-NE 3.25Å; D133-R288 IonicContact OD2-NH2 2.88Å; D133-R288 PolarHBondContact OD2-NH2 3.29Å
134Q80.7Confident89.4Confident149 Ų14968.4 Ų68.470%0.69634%0.338SS*.THydrogen-bonded Turntrans-85.5-25.6166.8-55.6-169.71500113.4D132D132-Q134 PolarHBondContact O-N 2.81Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.37Å; D132-Q134 PolarHBondContact OD1-N 3.4Å
135R87.1Confident89.9Confident146 Ų14665.7 Ų65.755%0.55132%0.323SS*.SBendtrans-91171.5-178.3-71.4-174.6-70.4134.40.5112.3F131 D132 K240F131-R135 HydrophobicContact CE1-CB 4.37Å; F131-R135 HydrophobicContact CZ-CB 3.98Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 WeakPolarHBondContact OD2-CD 3.35Å; D132-R135 WeakPolarHBondContact OD2-CG 3.27Å; D132-R135 IonicContact OD2-CZ 2.91Å; D132-R135 IonicContact OD2-NE 2.92Å; D132-R135 PolarHBondContact OD2-NE 2.83Å; D132-R135 IonicContact OD2-NH2 3.09Å; R135-K240 PolarHBondContact O-NZ 3.17Å
136V91.8Very high90.3Very high25 Ų2563.3 Ų63.315%0.15231%0.314CS..  trans-102.6130.2169.8177.60000108.3L138 I141 L161 P162 K240V136-L138 HydrophobicContact CG1-CD2 4Å; V136-L138 PolarHBondContact O-N 2.86Å; V136-I141 HydrophobicContact CG1-CD1 3.65Å; V136-L161 HydrophobicContact CG1-CD2 4.12Å; V136-P162 HydrophobicContact CG2-CG 3.7Å; V136-K240 HydrophobicContact CG2-CB 4.49Å; V136-K240 HydrophobicContact CG2-CD 4.13Å
137D93.9Very high90.7Very high27 Ų2762.7 Ų62.714%0.14431%0.314CS..  trans-77.2100.4173.1-169.3-20.3000109.6F131 D139 L140 I141F131-D137 HydrophobicContact CD2-CB 4.18Å; F131-D137 HydrophobicContact CE1-CB 4.3Å; F131-D137 HydrophobicContact CE2-CB 3.6Å; F131-D137 HydrophobicContact CZ-CB 3.69Å; D137-D139 VanDerWaalsContact C-N 3.32Å; D137-D139 WeakPolarHBondContact OD1-CA 3.14Å; D137-D139 WeakPolarHBondContact OD1-CB 3.21Å; D137-D139 PolarHBondContact OD1-N 3.05Å; D137-L140 HydrophobicContact CB-CB 3.9Å; D137-L140 VanDerWaalsContact CG-CB 3.4Å; D137-L140 PolarHBondContact OD1-N 3.1Å; D137-L140 WeakPolarHBondContact OD2-CB 3.48Å; D137-I141 VanDerWaalsContact O-CG1 3.3Å; D137-I141 WeakPolarHBondContact O-CG1 3.43Å; D137-I141 PolarHBondContact O-N 3.24Å
138L94.4Very high91Very high19 Ų1959.9 Ų59.910%0.09930%0.303CS..Hα-helixtrans-76.8-20.4176.6-59.6-177.6000112.2V136 I141 M142 L161 S169 L170V136-L138 HydrophobicContact CG1-CD2 4Å; V136-L138 PolarHBondContact O-N 2.86Å; L138-I141 HydrophobicContact CD2-CD1 4.39Å; L138-M142 WeakPolarHBondContact O-CB 3.46Å; L138-M142 WeakPolarHBondContact O-CG 3.16Å; L138-M142 PolarHBondContact O-N 2.82Å; L138-L161 HydrophobicContact CD2-CD2 4.21Å; L138-S169 WeakPolarHBondContact CD1-OG 3.49Å; L138-L170 HydrophobicContact CB-CD1 4.44Å; L138-L170 HydrophobicContact CD2-CB 4.39Å; L138-L170 HydrophobicContact CD2-CD1 4.5Å
139D93.5Very high91.4Very high89 Ų8956.8 Ų56.848%0.47629%0.29SS..Hα-helixtrans-83-35.5-177.3-67.7-67.5000111.1D137 T143 R173D137-D139 VanDerWaalsContact C-N 3.32Å; D137-D139 WeakPolarHBondContact OD1-CA 3.14Å; D137-D139 WeakPolarHBondContact OD1-CB 3.21Å; D137-D139 PolarHBondContact OD1-N 3.05Å; D139-T143 WeakPolarHBondContact O-CB 3.41Å; D139-T143 PolarHBondContact O-N 2.83Å; D139-T143 PolarHBondContact O-OG1 2.65Å; D139-R173 IonicContact OD1-CZ 2.91Å; D139-R173 IonicContact OD1-NH1 2.8Å; D139-R173 PolarHBondContact OD1-NH1 2.76Å; D139-R173 IonicContact OD1-NH2 3Å; D139-R173 PolarHBondContact OD1-NH2 3.42Å; D139-R173 IonicContact OD2-CZ 3.15Å; D139-R173 IonicContact OD2-NH1 2.68Å; D139-R173 PolarHBondContact OD2-NH1 2.87Å; D139-R173 VanDerWaalsContact OD2-NH1 3.08Å; D139-R173 IonicContact OD2-NH2 3.66Å; D139-R173 PolarHBondContact OD2-NH2 3.48Å
140L94.5Very high91.6Very high70 Ų7053 Ų5337%0.36628%0.278SS..Hα-helixtrans-62.4-46.1164-18059.2000111.5Y127 D137 M142 T143 L144 L283Y127-L140 HydrophobicContact CE2-CD2 4.46Å; D137-L140 HydrophobicContact CB-CB 3.9Å; D137-L140 VanDerWaalsContact CG-CB 3.4Å; D137-L140 PolarHBondContact OD1-N 3.1Å; D137-L140 WeakPolarHBondContact OD2-CB 3.48Å; L140-M142 PolarHBondContact O-N 3.18Å; L140-T143 PolarHBondContact O-N 2.86Å; L140-L144 WeakPolarHBondContact O-CB 3.31Å; L140-L144 PolarHBondContact O-N 3.22Å; L140-L283 HydrophobicContact CD2-CD2 3.98Å; L140-L283 HydrophobicContact CD2-CG 4.12Å; L140-L283 HydrophobicContact CG-CD2 4.07Å
141I97.1Very high91.8Very high0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-60-46.4176.1-69.5172000111.2V136 D137 L138 T143 L144 L145 I159 L161 L170 I236 L283V136-I141 HydrophobicContact CG1-CD1 3.65Å; D137-I141 VanDerWaalsContact O-CG1 3.3Å; D137-I141 WeakPolarHBondContact O-CG1 3.43Å; D137-I141 PolarHBondContact O-N 3.24Å; L138-I141 HydrophobicContact CD2-CD1 4.39Å; I141-T143 VanDerWaalsContact C-N 3.29Å; I141-T143 PolarHBondContact O-N 3.11Å; I141-L144 PolarHBondContact O-N 3.31Å; I141-L145 WeakPolarHBondContact O-CB 3.31Å; I141-L145 PolarHBondContact O-N 3.19Å; I141-I159 HydrophobicContact CD1-CG2 4.48Å; I141-I159 HydrophobicContact CG2-CD1 4.01Å; I141-I159 HydrophobicContact CG2-CG2 4Å; I141-L161 HydrophobicContact CD1-CD2 3.79Å; I141-L170 HydrophobicContact CB-CD1 4.47Å; I141-L170 HydrophobicContact CG2-CD1 3.98Å; I141-L170 HydrophobicContact CG2-CD2 3.6Å; I141-L170 HydrophobicContact CG2-CG 4.47Å; I141-I236 HydrophobicContact CG1-CG2 4.2Å; I141-I236 HydrophobicContact CG2-CG2 4.33Å; I141-L283 HydrophobicContact CD1-CD2 4.07Å; I141-L283 HydrophobicContact CG1-CD2 3.32Å
142M96.4Very high91.8Very high2 Ų253.5 Ų53.51%0.0128%0.281CS..Hα-helixtrans-60.2-38.9177.4-76.4-63.6-73.100112.5L138 L140 H146 L170 R173 I174 D178 F181L138-M142 WeakPolarHBondContact O-CB 3.46Å; L138-M142 WeakPolarHBondContact O-CG 3.16Å; L138-M142 PolarHBondContact O-N 2.82Å; L140-M142 PolarHBondContact O-N 3.18Å; M142-H146 WeakPolarHBondContact O-CB 3.5Å; M142-H146 PolarHBondContact O-N 3.24Å; M142-L170 HydrophobicContact CG-CD1 3.66Å; M142-L170 HydrophobicContact SD-CD1 3.55Å; M142-L170 VanDerWaalsContact SD-CD1 3.55Å; M142-R173 HydrophobicContact CE-CB 4.19Å; M142-R173 HydrophobicContact SD-CB 4.25Å; M142-I174 HydrophobicContact CE-CG1 3.91Å; M142-I174 HydrophobicContact SD-CD1 4.32Å; M142-I174 HydrophobicContact SD-CG1 3.44Å; M142-I174 WeakPolarHBondContact SD-CG1 3.47Å; M142-D178 HydrophobicContact CE-CB 3.43Å; M142-D178 VanDerWaalsContact CE-CB 3.43Å; M142-D178 VanDerWaalsContact CE-OD2 3.3Å; M142-D178 WeakPolarHBondContact CE-OD2 3.38Å; M142-F181 HydrophobicContact CE-CD2 3.52Å; M142-F181 HydrophobicContact CE-CE2 3.54Å; M142-F181 HydrophobicContact SD-CE2 4.4Å
143T95.8Very high91.5Very high70 Ų7057.3 Ų57.343%0.42930%0.301SS..Hα-helixtrans-74.9-39.4-178.3-59.30000112.3D139 L140 I141 H146 N147 R180D139-T143 WeakPolarHBondContact O-CB 3.41Å; D139-T143 PolarHBondContact O-N 2.83Å; D139-T143 PolarHBondContact O-OG1 2.65Å; L140-T143 PolarHBondContact O-N 2.86Å; I141-T143 VanDerWaalsContact C-N 3.29Å; I141-T143 PolarHBondContact O-N 3.11Å; T143-H146 PolarHBondContact O-N 3.37Å; T143-N147 PolarHBondContact O-N 2.76Å; T143-R180 PolarHBondContact OG1-NH1 2.91Å
144L96.8Very high91.6Very high31 Ų3161.1 Ų61.116%0.16232%0.318CS..Hα-helixtrans-64.6-45.3170.9173.760.8000111.9L140 I141 H146 N147 I148 I236 F281 L283L140-L144 WeakPolarHBondContact O-CB 3.31Å; L140-L144 PolarHBondContact O-N 3.22Å; I141-L144 PolarHBondContact O-N 3.31Å; L144-H146 VanDerWaalsContact C-N 3.26Å; L144-H146 PolarHBondContact O-N 2.93Å; L144-N147 PolarHBondContact O-N 2.78Å; L144-I148 HydrophobicContact CD1-CD1 4Å; L144-I148 HydrophobicContact CD1-CG1 4.3Å; L144-I148 HydrophobicContact CG-CD1 3.96Å; L144-I148 WeakPolarHBondContact O-CG1 3.36Å; L144-I148 PolarHBondContact O-N 3.16Å; L144-I236 HydrophobicContact CD2-CD1 4.14Å; L144-I236 HydrophobicContact CD2-CG1 4.04Å; L144-I236 HydrophobicContact CD2-CG2 3.94Å; L144-I236 HydrophobicContact CG-CD1 4.14Å; L144-I236 HydrophobicContact CG-CG1 4.46Å; L144-F281 HydrophobicContact CD1-CD1 3.89Å; L144-F281 HydrophobicContact CD1-CD2 4.35Å; L144-F281 HydrophobicContact CD1-CE1 3.98Å; L144-F281 HydrophobicContact CD1-CE2 4.44Å; L144-F281 HydrophobicContact CD1-CG 4.08Å; L144-F281 HydrophobicContact CD1-CZ 4.26Å; L144-F281 HydrophobicContact CD2-CB 3.66Å; L144-F281 HydrophobicContact CD2-CD1 4.34Å; L144-F281 HydrophobicContact CD2-CD2 4.36Å; L144-F281 HydrophobicContact CD2-CG 3.89Å; L144-F281 HydrophobicContact CG-CG 4.49Å; L144-L283 HydrophobicContact CD2-CD1 4.01Å
145L96.6Very high92Very high0 Ų054.6 Ų54.60%029%0.291CS..Hα-helixtrans-58-41175.6177.463000111.3I141 I148 C149 V157 I159 I174 F181 I216 I236I141-L145 WeakPolarHBondContact O-CB 3.31Å; I141-L145 PolarHBondContact O-N 3.19Å; L145-I148 PolarHBondContact O-N 2.93Å; L145-C149 WeakPolarHBondContact O-CB 3.37Å; L145-C149 PolarHBondContact O-N 2.88Å; L145-C149 PolarHBondContact O-SG 3.06Å; L145-V157 HydrophobicContact CD1-CB 4.26Å; L145-V157 HydrophobicContact CD1-CG1 3.98Å; L145-V157 HydrophobicContact CD1-CG2 4.17Å; L145-I159 HydrophobicContact CD1-CD1 4.28Å; L145-I159 HydrophobicContact CD2-CD1 4.15Å; L145-I174 HydrophobicContact CD2-CD1 3.59Å; L145-I174 HydrophobicContact CD2-CG1 3.94Å; L145-F181 HydrophobicContact CB-CZ 4.19Å; L145-F181 HydrophobicContact CD2-CE1 4.1Å; L145-F181 HydrophobicContact CD2-CZ 3.93Å; L145-F181 HydrophobicContact CG-CE1 3.94Å; L145-F181 HydrophobicContact CG-CZ 3.76Å; L145-I216 HydrophobicContact CD1-CD1 4.13Å; L145-I216 HydrophobicContact CD1-CG1 4.31Å; L145-I216 HydrophobicContact CD1-CG2 4.39Å; L145-I216 HydrophobicContact CD2-CD1 4.28Å; L145-I216 HydrophobicContact CD2-CG2 4.48Å; L145-I236 HydrophobicContact CB-CD1 4.23Å; L145-I236 HydrophobicContact CD1-CD1 4.48Å
146H94.7Very high92.4Very high51 Ų5147.8 Ų47.824%0.23627%0.265CS..Hα-helixtrans-64.7-45.9177.1-178.363.3000111.4M142 T143 L144 I148 C149 T150 F181M142-H146 WeakPolarHBondContact O-CB 3.5Å; M142-H146 PolarHBondContact O-N 3.24Å; T143-H146 PolarHBondContact O-N 3.37Å; L144-H146 VanDerWaalsContact C-N 3.26Å; L144-H146 PolarHBondContact O-N 2.93Å; H146-I148 PolarHBondContact O-N 3.33Å; H146-C149 PolarHBondContact O-N 2.99Å; H146-T150 PolarHBondContact O-N 3.12Å; H146-T150 PolarHBondContact O-OG1 2.91Å; H146-T150 VanDerWaalsContact O-OG1 3.05Å; H146-F181 HydrophobicContact CB-CE2 4.01Å; H146-F181 HydrophobicContact CB-CZ 3.74Å
147N95.4Very high92.7Very high92 Ų9246.6 Ų46.649%0.49226%0.258SS..Hα-helixtrans-57.9-44.2175.9178.5-82.5000112.3T143 L144 T150 T151T143-N147 PolarHBondContact O-N 2.76Å; L144-N147 PolarHBondContact O-N 2.78Å; N147-T150 PolarHBondContact O-N 3.29Å; N147-T150 PolarHBondContact O-OG1 3.48Å; N147-T151 VanDerWaalsContact O-CB 3.24Å; N147-T151 WeakPolarHBondContact O-CB 3.43Å; N147-T151 PolarHBondContact O-N 3.36Å; N147-T151 PolarHBondContact O-OG1 2.95Å
148I94.8Very high92.8Very high5 Ų545.4 Ų45.43%0.02625%0.252CS..Hα-helixtrans-61.7-46.5175.6-66.1160.1000110.4L144 L145 H146 T150 T151 T152 V157 F234 I236 F281L144-I148 HydrophobicContact CD1-CD1 4Å; L144-I148 HydrophobicContact CD1-CG1 4.3Å; L144-I148 HydrophobicContact CG-CD1 3.96Å; L144-I148 WeakPolarHBondContact O-CG1 3.36Å; L144-I148 PolarHBondContact O-N 3.16Å; L145-I148 PolarHBondContact O-N 2.93Å; H146-I148 PolarHBondContact O-N 3.33Å; I148-T150 PolarHBondContact O-N 3.1Å; I148-T151 PolarHBondContact O-N 3.28Å; I148-T152 PolarHBondContact O-N 3.42Å; I148-V157 HydrophobicContact CG2-CG2 4.07Å; I148-F234 HydrophobicContact CG2-CB 4.31Å; I148-F234 HydrophobicContact CG2-CD1 4.11Å; I148-F234 HydrophobicContact CG2-CD2 3.75Å; I148-F234 HydrophobicContact CG2-CE1 4.47Å; I148-F234 HydrophobicContact CG2-CE2 4.14Å; I148-F234 HydrophobicContact CG2-CG 3.75Å; I148-F234 HydrophobicContact CG2-CZ 4.5Å; I148-I236 HydrophobicContact CD1-CD1 3.85Å; I148-I236 HydrophobicContact CD1-CG1 4.09Å; I148-F281 HydrophobicContact CD1-CD2 3.9Å; I148-F281 HydrophobicContact CD1-CE2 3.51Å; I148-F281 HydrophobicContact CD1-CZ 4.23Å; I148-F281 HydrophobicContact CG1-CE2 3.89Å; I148-F281 HydrophobicContact CG1-CZ 4.19Å
149C92Very high93Very high9 Ų944.5 Ų44.56%0.06125%0.247CC..Hα-helixtrans-70.8-26.1-177.1-64.60000114.1L145 H146 Y188L145-C149 WeakPolarHBondContact O-CB 3.37Å; L145-C149 PolarHBondContact O-N 2.88Å; L145-C149 PolarHBondContact O-SG 3.06Å; H146-C149 PolarHBondContact O-N 2.99Å; C149-Y188 HydrophobicContact CB-CE1 3.94Å
150T90.3Very high93.2Very high87 Ų8740.3 Ų40.353%0.53422%0.224SC..Hα-helixtrans-87-22.2173.454.20000113.2H146 N147 I148H146-T150 PolarHBondContact O-N 3.12Å; H146-T150 PolarHBondContact O-OG1 2.91Å; H146-T150 VanDerWaalsContact O-OG1 3.05Å; N147-T150 PolarHBondContact O-N 3.29Å; N147-T150 PolarHBondContact O-OG1 3.48Å; I148-T150 PolarHBondContact O-N 3.1Å
151T89.3Confident93.3Very high103 Ų10337 Ų3763%0.63221%0.207SC*.Hα-helixtrans-84.5-30.6178.3-54.80000112.7N147 I148N147-T151 VanDerWaalsContact O-CB 3.24Å; N147-T151 WeakPolarHBondContact O-CB 3.43Å; N147-T151 PolarHBondContact O-N 3.36Å; N147-T151 PolarHBondContact O-OG1 2.95Å; I148-T151 PolarHBondContact O-N 3.28Å
152T86.1Confident93.1Very high47 Ų4737.4 Ų37.429%0.28821%0.21SC..  trans-153.5138.9-179.9-179.60000115.5I148 E154 R214 F234I148-T152 PolarHBondContact O-N 3.42Å; T152-E154 PolarHBondContact OG1-N 3Å; T152-R214 PolarHBondContact O-NH1 2.87Å; T152-F234 HydrophobicContact CG2-CE2 3.7Å; T152-F234 HydrophobicContact CG2-CZ 3.56Å
153N77.8Confident92.8Very high140 Ų14037.4 Ų37.475%0.74921%0.211SC*.SBendtrans-94.11.5178.3-65.9-12.9000113.6R214N153-R214 VanDerWaalsContact C-NH2 3.35Å; N153-R214 PolarHBondContact O-NH1 2.61Å; N153-R214 PolarHBondContact O-NH2 2.91Å
154E84.4Confident92.3Very high122 Ų12234.8 Ų34.857%0.5719%0.193SC*.SBendtrans-108152.7174.5-80.5-154.7-140.800113.3T152 R214 F234 R276T152-E154 PolarHBondContact OG1-N 3Å; E154-R214 VanDerWaalsContact C-NH1 3.26Å; E154-R214 VanDerWaalsContact N-NH1 3.16Å; E154-R214 PolarHBondContact O-NH1 3.44Å; E154-F234 WeakPolarHBondContact O-CE2 3.26Å; E154-R276 IonicContact OE2-CZ 3.7Å; E154-R276 IonicContact OE2-NH1 2.7Å; E154-R276 PolarHBondContact OE2-NH1 3.39Å; E154-R276 IonicContact OE2-NH2 3.79Å
155G90.3Very high91.8Very high12 Ų1237.4 Ų37.412%0.12421%0.207CC..SBendtrans82132.4175.200000116.2R214G155-R214 PolarHBondContact O-NE 2.79Å; G155-R214 PolarHBondContact O-NH1 3.39Å; G155-R214 PolarHBondContact O-NH2 3.07Å
156A94.8Very high91.6Very high2 Ų239.4 Ų39.42%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-75.9150.8177.800000112.3K215 D231 V232 V233 F234A156-K215 WeakPolarHBondContact CA-O 3.35Å; A156-K215 HydrophobicContact CB-CB 3.73Å; A156-K215 HydrophobicContact CB-CD 3.81Å; A156-K215 HydrophobicContact CB-CG 3.97Å; A156-D231 VanDerWaalsContact CB-O 3.27Å; A156-D231 WeakPolarHBondContact CB-O 3.46Å; A156-D231 PolarHBondContact N-O 3.1Å; A156-V232 HydrophobicContact CB-CG2 4.44Å; A156-V233 PolarHBondContact O-N 2.81Å; A156-F234 PolarHBondContact O-N 3.49Å; A156-F234 VanDerWaalsContact O-N 3.09Å
157V96.9Very high91.6Very high0 Ų037.1 Ų37.10%021%0.206CC..EExtended strand (participates in β ladder)trans-103.2124.7175.7-168.10000110.1L145 I148 I159 K215 I216 I217 F234 I236L145-V157 HydrophobicContact CD1-CB 4.26Å; L145-V157 HydrophobicContact CD1-CG1 3.98Å; L145-V157 HydrophobicContact CD1-CG2 4.17Å; I148-V157 HydrophobicContact CG2-CG2 4.07Å; V157-I159 HydrophobicContact CG1-CG1 4.07Å; V157-K215 PolarHBondContact N-O 3.15Å; V157-I216 CarbonylContact O-C 3.55Å; V157-I216 WeakPolarHBondContact O-CA 3.48Å; V157-I217 PolarHBondContact O-N 2.87Å; V157-F234 CarbonylContact C-O 3.52Å; V157-F234 WeakPolarHBondContact CA-O 3.44Å; V157-F234 HydrophobicContact CB-CB 4.4Å; V157-F234 HydrophobicContact CG1-CB 4.16Å; V157-F234 HydrophobicContact CG2-CB 4.15Å; V157-F234 HydrophobicContact CG2-CD2 4.36Å; V157-I236 HydrophobicContact CG1-CD1 3.84Å; V157-I236 HydrophobicContact CG1-CG1 4.06Å
158L96.9Very high91.2Very high3 Ų333.5 Ų33.52%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-109.9117.9173.8174.262000109.9F160 I217 A223 V232 F234 V235 I236 R271L158-F160 HydrophobicContact CD2-CE2 3.72Å; L158-F160 HydrophobicContact CD2-CZ 3.79Å; L158-F160 HydrophobicContact CG-CD2 4.45Å; L158-F160 HydrophobicContact CG-CE2 3.99Å; L158-F160 HydrophobicContact CG-CZ 4.3Å; L158-I217 CarbonylContact C-O 3.56Å; L158-I217 HydrophobicContact CD1-CB 3.96Å; L158-I217 HydrophobicContact CD1-CG2 3.91Å; L158-A223 HydrophobicContact CD1-CB 4.05Å; L158-A223 HydrophobicContact CD2-CB 4.12Å; L158-V232 HydrophobicContact CB-CG1 3.73Å; L158-V232 HydrophobicContact CB-CG2 4.11Å; L158-V232 HydrophobicContact CD2-CG1 4.37Å; L158-F234 PolarHBondContact N-O 2.82Å; L158-V235 HydrophobicContact CB-CG2 4.32Å; L158-V235 HydrophobicContact CD2-CG2 4.44Å; L158-V235 CarbonylContact O-C 3.54Å; L158-V235 VanDerWaalsContact O-CA 3.28Å; L158-V235 WeakPolarHBondContact O-CA 3.2Å; L158-I236 PolarHBondContact O-N 3.48Å; L158-R271 HydrophobicContact CD2-CB 4.08Å; L158-R271 HydrophobicContact CD2-CG 4.49Å
159I98.1Very high91Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-108115.3-177.7-47.5-168.5000109.2I141 L145 V157 L161 L170 I216 I217 L218 S219 I236I141-I159 HydrophobicContact CD1-CG2 4.48Å; I141-I159 HydrophobicContact CG2-CD1 4.01Å; I141-I159 HydrophobicContact CG2-CG2 4Å; L145-I159 HydrophobicContact CD1-CD1 4.28Å; L145-I159 HydrophobicContact CD2-CD1 4.15Å; V157-I159 HydrophobicContact CG1-CG1 4.07Å; I159-L161 HydrophobicContact CG2-CD1 4.5Å; I159-L161 HydrophobicContact CG2-CD2 4.3Å; I159-L161 HydrophobicContact CG2-CG 4.11Å; I159-L170 HydrophobicContact CD1-CD2 3.99Å; I159-L170 HydrophobicContact CG2-CD2 4.06Å; I159-I216 HydrophobicContact CD1-CG2 4.27Å; I159-I217 PolarHBondContact N-O 3.35Å; I159-L218 HydrophobicContact CB-CD2 3.86Å; I159-L218 HydrophobicContact CD1-CD2 3.64Å; I159-L218 HydrophobicContact CG1-CD2 3.87Å; I159-S219 PolarHBondContact O-N 3.31Å; I159-I236 CarbonylContact C-O 3.47Å; I159-I236 VanDerWaalsContact CA-O 3.3Å; I159-I236 WeakPolarHBondContact CA-O 3.19Å; I159-I236 HydrophobicContact CB-CB 4.43Å; I159-I236 HydrophobicContact CD1-CD1 4.01Å; I159-I236 HydrophobicContact CG1-CB 4.16Å; I159-I236 HydrophobicContact CG1-CD1 4.17Å; I159-I236 HydrophobicContact CG1-CG1 4.49Å; I159-I236 HydrophobicContact CG2-CB 4.14Å; I159-I236 HydrophobicContact CG2-CG2 4.2Å
160F97.8Very high91Very high0 Ų035.1 Ų35.10%020%0.199CC..EExtended strand (participates in β ladder)trans-85.4120.1174.4-75.3-79.6000111L158 S219 A223 E224 V235 I236 S238 R268 R271L158-F160 HydrophobicContact CD2-CE2 3.72Å; L158-F160 HydrophobicContact CD2-CZ 3.79Å; L158-F160 HydrophobicContact CG-CD2 4.45Å; L158-F160 HydrophobicContact CG-CE2 3.99Å; L158-F160 HydrophobicContact CG-CZ 4.3Å; F160-S219 CarbonylContact C-O 3.41Å; F160-S219 WeakPolarHBondContact CA-O 3.27Å; F160-A223 HydrophobicContact CE1-CB 3.92Å; F160-A223 HydrophobicContact CZ-CB 4.05Å; F160-E224 HydrophobicContact CE1-CB 3.96Å; F160-E224 HydrophobicContact CZ-CB 4.34Å; F160-V235 HydrophobicContact CD2-CG1 3.75Å; F160-V235 HydrophobicContact CE2-CG1 3.84Å; F160-I236 PolarHBondContact N-O 3.2Å; F160-S238 VanDerWaalsContact O-CB 3.27Å; F160-S238 WeakPolarHBondContact O-CB 3.21Å; F160-S238 PolarHBondContact O-N 2.98Å; F160-S238 PolarHBondContact O-OG 3.4Å; F160-R268 HydrophobicContact CD1-CG 4.39Å; F160-R268 HydrophobicContact CD2-CB 4.14Å; F160-R268 HydrophobicContact CD2-CG 3.82Å; F160-R268 HydrophobicContact CE1-CG 4.27Å; F160-R268 HydrophobicContact CE2-CB 3.92Å; F160-R268 HydrophobicContact CE2-CG 3.69Å; F160-R268 HydrophobicContact CG-CG 4.18Å; F160-R268 HydrophobicContact CZ-CG 3.93Å; F160-R271 HydrophobicContact CZ-CG 4.32Å
161L97Very high91.1Very high2 Ų231.8 Ų31.81%0.0118%0.177CC..  trans-125.5151.7-179.7-67.5173000110.4V136 L138 I141 I159 G163 E166 I167 L170 L218 S219 T220V136-L161 HydrophobicContact CG1-CD2 4.12Å; L138-L161 HydrophobicContact CD2-CD2 4.21Å; I141-L161 HydrophobicContact CD1-CD2 3.79Å; I159-L161 HydrophobicContact CG2-CD1 4.5Å; I159-L161 HydrophobicContact CG2-CD2 4.3Å; I159-L161 HydrophobicContact CG2-CG 4.11Å; L161-G163 VanDerWaalsContact C-N 3.32Å; L161-G163 PolarHBondContact O-N 3.37Å; L161-E166 HydrophobicContact CB-CB 4.29Å; L161-E166 HydrophobicContact CD1-CB 4.48Å; L161-E166 HydrophobicContact CD2-CB 4.48Å; L161-I167 HydrophobicContact CB-CG1 3.91Å; L161-I167 HydrophobicContact CD1-CB 4.37Å; L161-I167 HydrophobicContact CD1-CG1 3.76Å; L161-I167 HydrophobicContact CG-CG1 4.46Å; L161-L170 HydrophobicContact CD1-CB 4.25Å; L161-L170 HydrophobicContact CD1-CD2 3.87Å; L161-L218 HydrophobicContact CD1-CB 4.49Å; L161-S219 PolarHBondContact N-O 2.92Å; L161-T220 WeakPolarHBondContact O-CA 3.25Å
162P92.9Very high91.1Very high7 Ų728.1 Ų28.15%0.04515%0.153CC..SBendtrans-74.2-18.8-171.629.9-37.1000113.9V136 E166 K240 K242 T257V136-P162 HydrophobicContact CG2-CG 3.7Å; P162-E166 HydrophobicContact CG-CG 3.9Å; P162-K240 HydrophobicContact CB-CB 4.11Å; P162-K240 HydrophobicContact CG-CB 4.43Å; P162-K242 HydrophobicContact CB-CG 4.27Å; P162-K242 VanDerWaalsContact O-CB 3.3Å; P162-K242 WeakPolarHBondContact O-CB 3.49Å; P162-K242 WeakPolarHBondContact O-CG 3.37Å; P162-K242 PolarHBondContact O-N 2.97Å; P162-K242 VanDerWaalsContact O-N 3.16Å; P162-T257 HydrophobicContact CB-CG2 4.01Å; P162-T257 HydrophobicContact CG-CG2 4.29Å
163G89.9Confident91.3Very high3 Ų328.8 Ų28.83%0.03115%0.15CC..SBendtrans-173.8-175.2178.500000115.9L161 E166 I167L161-G163 VanDerWaalsContact C-N 3.32Å; L161-G163 PolarHBondContact O-N 3.37Å; G163-E166 VanDerWaalsContact C-OE2 3.24Å; G163-E166 WeakPolarHBondContact CA-OE2 3.39Å; G163-E166 PolarHBondContact N-OE2 2.61Å; G163-I167 VanDerWaalsContact O-CG1 3.32Å; G163-I167 WeakPolarHBondContact O-CG1 3.26Å; G163-I167 PolarHBondContact O-N 2.91Å; G163-I167 VanDerWaalsContact O-N 3.16Å
164Y86.2Confident92Very high15 Ų1522.2 Ų22.26%0.05912%0.115CC..Hα-helixtrans-60.2-44.7-174174.1-90.2000114.6E166 I167 V168 L404 P405Y164-E166 VanDerWaalsContact C-N 3.32Å; Y164-E166 PolarHBondContact O-N 2.83Å; Y164-I167 WeakPolarHBondContact O-CB 3.21Å; Y164-I167 PolarHBondContact O-N 3Å; Y164-V168 HydrophobicContact CD1-CG2 4.2Å; Y164-V168 HydrophobicContact CD2-CG2 4.31Å; Y164-V168 HydrophobicContact CE1-CG2 3.66Å; Y164-V168 HydrophobicContact CE2-CG2 3.82Å; Y164-V168 HydrophobicContact CG-CG2 4.49Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.46Å; Y164-V168 PolarHBondContact O-N 3.14Å; Y164-L404 HydrophobicContact CD1-CD1 4.17Å; Y164-L404 HydrophobicContact CD2-CB 4.01Å; Y164-L404 HydrophobicContact CD2-CD1 3.57Å; Y164-L404 HydrophobicContact CD2-CG 4.41Å; Y164-L404 HydrophobicContact CE2-CB 3.64Å; Y164-L404 HydrophobicContact CE2-CD1 4.03Å; Y164-L404 HydrophobicContact CE2-CG 4.41Å; Y164-L404 HydrophobicContact CG-CD1 3.65Å; Y164-P405 WeakPolarHBondContact CE2-O 3.42Å; Y164-P405 PolarHBondContact OH-O 3.04Å
165D85.6Confident92.1Very high85 Ų8519 Ų1946%0.45510%0.102SC..Hα-helixtrans-70-32-174.5-55.4-74.1000111.7S169 K411D165-S169 VanDerWaalsContact O-CB 3.26Å; D165-S169 WeakPolarHBondContact O-CB 3.14Å; D165-S169 PolarHBondContact O-N 2.84Å; D165-K411 IonicContact OD1-NZ 3.82Å; D165-K411 PolarHBondContact OD1-NZ 2.64Å
166E93.2Very high91.9Very high42 Ų4224.7 Ų24.720%0.19612%0.123CC..Hα-helixtrans-67.8-41.9170.4-60.977.7-167.200111.6L161 P162 G163 Y164 S169 L170 K242L161-E166 HydrophobicContact CB-CB 4.29Å; L161-E166 HydrophobicContact CD1-CB 4.48Å; L161-E166 HydrophobicContact CD2-CB 4.48Å; P162-E166 HydrophobicContact CG-CG 3.9Å; G163-E166 VanDerWaalsContact C-OE2 3.24Å; G163-E166 WeakPolarHBondContact CA-OE2 3.39Å; G163-E166 PolarHBondContact N-OE2 2.61Å; Y164-E166 VanDerWaalsContact C-N 3.32Å; Y164-E166 PolarHBondContact O-N 2.83Å; E166-S169 PolarHBondContact O-N 3.13Å; E166-L170 WeakPolarHBondContact O-CB 3.29Å; E166-L170 PolarHBondContact O-N 3.01Å; E166-K242 WeakPolarHBondContact OE1-CE 3.36Å; E166-K242 IonicContact OE1-NZ 2.7Å; E166-K242 PolarHBondContact OE1-NZ 2.93Å; E166-K242 IonicContact OE2-NZ 2.3Å; E166-K242 PolarHBondContact OE2-NZ 2.99Å
167I93.2Very high91.4Very high3 Ų330 Ų302%0.01515%0.151CC..Hα-helixtrans-60.6-45.1175.8-74.1166.6000111.6L161 G163 Y164 R171 T192 L218 T220L161-I167 HydrophobicContact CB-CG1 3.91Å; L161-I167 HydrophobicContact CD1-CB 4.37Å; L161-I167 HydrophobicContact CD1-CG1 3.76Å; L161-I167 HydrophobicContact CG-CG1 4.46Å; G163-I167 VanDerWaalsContact O-CG1 3.32Å; G163-I167 WeakPolarHBondContact O-CG1 3.26Å; G163-I167 PolarHBondContact O-N 2.91Å; G163-I167 VanDerWaalsContact O-N 3.16Å; Y164-I167 WeakPolarHBondContact O-CB 3.21Å; Y164-I167 PolarHBondContact O-N 3Å; I167-R171 WeakPolarHBondContact O-CB 3.47Å; I167-R171 PolarHBondContact O-N 3.45Å; I167-T192 HydrophobicContact CG2-CG2 3.48Å; I167-T192 VanDerWaalsContact CG2-CG2 3.48Å; I167-L218 HydrophobicContact CG1-CB 4.36Å; I167-L218 HydrophobicContact CG2-CB 3.99Å; I167-L218 WeakPolarHBondContact O-CD1 3.46Å; I167-T220 HydrophobicContact CD1-CG2 3.74Å
168V87.9Confident91Very high17 Ų1731.5 Ų31.510%0.10316%0.159CC..Hα-helixtrans-68.2-45.8178.4166.20000111.4Y164 L170 R171 D172Y164-V168 HydrophobicContact CD1-CG2 4.2Å; Y164-V168 HydrophobicContact CD2-CG2 4.31Å; Y164-V168 HydrophobicContact CE1-CG2 3.66Å; Y164-V168 HydrophobicContact CE2-CG2 3.82Å; Y164-V168 HydrophobicContact CG-CG2 4.49Å; Y164-V168 VanDerWaalsContact CZ-CG2 3.46Å; Y164-V168 PolarHBondContact O-N 3.14Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-L170 PolarHBondContact O-N 3.26Å; V168-R171 PolarHBondContact O-N 3.43Å; V168-D172 PolarHBondContact O-N 3.12Å
169S89.4Confident90.6Very high48 Ų4839.3 Ų39.334%0.33619%0.193SC..Hα-helixtrans-58.9-45.5178.3-175.90000111.6L138 D165 E166 R173L138-S169 WeakPolarHBondContact CD1-OG 3.49Å; D165-S169 VanDerWaalsContact O-CB 3.26Å; D165-S169 WeakPolarHBondContact O-CB 3.14Å; D165-S169 PolarHBondContact O-N 2.84Å; E166-S169 PolarHBondContact O-N 3.13Å; S169-R173 WeakPolarHBondContact O-CB 3.48Å; S169-R173 WeakPolarHBondContact O-CD 3.23Å; S169-R173 VanDerWaalsContact O-CG 3.25Å; S169-R173 WeakPolarHBondContact O-CG 3.36Å; S169-R173 PolarHBondContact O-N 3.03Å; S169-R173 VanDerWaalsContact O-N 3.14Å
170L93.8Very high90.1Very high0 Ų043.2 Ų43.20%021%0.208CC..Hα-helixtrans-69-38.9178.3-170.467.8000112.4L138 I141 M142 I159 L161 E166 V168 I174 L218L138-L170 HydrophobicContact CB-CD1 4.44Å; L138-L170 HydrophobicContact CD2-CB 4.39Å; L138-L170 HydrophobicContact CD2-CD1 4.5Å; I141-L170 HydrophobicContact CB-CD1 4.47Å; I141-L170 HydrophobicContact CG2-CD1 3.98Å; I141-L170 HydrophobicContact CG2-CD2 3.6Å; I141-L170 HydrophobicContact CG2-CG 4.47Å; M142-L170 HydrophobicContact CG-CD1 3.66Å; M142-L170 HydrophobicContact SD-CD1 3.55Å; M142-L170 VanDerWaalsContact SD-CD1 3.55Å; I159-L170 HydrophobicContact CD1-CD2 3.99Å; I159-L170 HydrophobicContact CG2-CD2 4.06Å; L161-L170 HydrophobicContact CD1-CB 4.25Å; L161-L170 HydrophobicContact CD1-CD2 3.87Å; E166-L170 WeakPolarHBondContact O-CB 3.29Å; E166-L170 PolarHBondContact O-N 3.01Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-L170 PolarHBondContact O-N 3.26Å; L170-I174 HydrophobicContact CG-CD1 4.09Å; L170-I174 WeakPolarHBondContact O-CD1 3.17Å; L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.45Å; L170-I174 PolarHBondContact O-N 3.43Å; L170-L218 HydrophobicContact CB-CD1 4.2Å; L170-L218 HydrophobicContact CD2-CD1 4.36Å; L170-L218 HydrophobicContact CD2-CD2 3.9Å; L170-L218 HydrophobicContact CG-CD1 4.34Å
171R91.8Very high89.6Confident17 Ų1743.2 Ų43.26%0.06421%0.208CC..Hα-helixtrans-60.8-51.7175-177.1-160.760.1-131.5-1.9111.5I167 V168 R173 I174 L175 V190 T192 L218 A406I167-R171 WeakPolarHBondContact O-CB 3.47Å; I167-R171 PolarHBondContact O-N 3.45Å; V168-R171 PolarHBondContact O-N 3.43Å; R171-R173 PolarHBondContact O-N 2.81Å; R171-I174 PolarHBondContact O-N 3.36Å; R171-L175 HydrophobicContact CG-CD1 3.65Å; R171-L175 HydrophobicContact CG-CG 4.08Å; R171-L175 WeakPolarHBondContact O-CG 3.31Å; R171-L175 PolarHBondContact O-N 3.02Å; R171-V190 HydrophobicContact CB-CG1 4.47Å; R171-V190 HydrophobicContact CG-CG1 3.97Å; R171-T192 HydrophobicContact CB-CG2 4.4Å; R171-L218 HydrophobicContact CB-CD1 3.82Å; R171-A406 PolarHBondContact NH1-O 3.27Å; R171-A406 PolarHBondContact NH2-O 3.13Å
172D89Confident88.9Confident25 Ų2544.7 Ų44.713%0.13422%0.219CC..Hα-helixtrans-65.3-33-173.3-68.2-7.3000110.1V168 F176 D177 S408V168-D172 PolarHBondContact O-N 3.12Å; D172-F176 HydrophobicContact CB-CD2 4.17Å; D172-F176 WeakPolarHBondContact O-CB 3.37Å; D172-F176 WeakPolarHBondContact O-CD2 3.35Å; D172-F176 PolarHBondContact O-N 3.09Å; D172-D177 PolarHBondContact O-N 3.45Å; D172-S408 WeakPolarHBondContact OD2-CB 3.33Å; D172-S408 PolarHBondContact OD2-OG 2.96Å
173R91.1Very high88.4Confident61 Ų6148.8 Ų48.823%0.2324%0.244CC..Iπ-helixtrans-60.8-44.2167.5-75.5167.9163.2-135.6-1.1114.3D139 M142 S169 R171 D177 D178D139-R173 IonicContact OD1-CZ 2.91Å; D139-R173 IonicContact OD1-NH1 2.8Å; D139-R173 PolarHBondContact OD1-NH1 2.76Å; D139-R173 IonicContact OD1-NH2 3Å; D139-R173 PolarHBondContact OD1-NH2 3.42Å; D139-R173 IonicContact OD2-CZ 3.15Å; D139-R173 IonicContact OD2-NH1 2.68Å; D139-R173 PolarHBondContact OD2-NH1 2.87Å; D139-R173 VanDerWaalsContact OD2-NH1 3.08Å; D139-R173 IonicContact OD2-NH2 3.66Å; D139-R173 PolarHBondContact OD2-NH2 3.48Å; M142-R173 HydrophobicContact CE-CB 4.19Å; M142-R173 HydrophobicContact SD-CB 4.25Å; S169-R173 WeakPolarHBondContact O-CB 3.48Å; S169-R173 WeakPolarHBondContact O-CD 3.23Å; S169-R173 VanDerWaalsContact O-CG 3.25Å; S169-R173 WeakPolarHBondContact O-CG 3.36Å; S169-R173 PolarHBondContact O-N 3.03Å; S169-R173 VanDerWaalsContact O-N 3.14Å; R171-R173 PolarHBondContact O-N 2.81Å; R173-D177 WeakPolarHBondContact CA-OD2 3.46Å; R173-D177 PolarHBondContact O-N 3.14Å; R173-D178 WeakPolarHBondContact O-CB 3.38Å; R173-D178 PolarHBondContact O-N 3.3Å
174I91Very high88Confident3 Ų354.1 Ų54.12%0.01527%0.267CS..Iπ-helixtrans-68.3-42.4178.3-64.6161.5000111.4M142 L145 L170 R171 F181 V190 I216 L218M142-I174 HydrophobicContact CE-CG1 3.91Å; M142-I174 HydrophobicContact SD-CD1 4.32Å; M142-I174 HydrophobicContact SD-CG1 3.44Å; M142-I174 WeakPolarHBondContact SD-CG1 3.47Å; L145-I174 HydrophobicContact CD2-CD1 3.59Å; L145-I174 HydrophobicContact CD2-CG1 3.94Å; L170-I174 HydrophobicContact CG-CD1 4.09Å; L170-I174 WeakPolarHBondContact O-CD1 3.17Å; L170-I174 VanDerWaalsContact O-CG1 3.26Å; L170-I174 WeakPolarHBondContact O-CG1 3.45Å; L170-I174 PolarHBondContact O-N 3.43Å; R171-I174 PolarHBondContact O-N 3.36Å; I174-F181 HydrophobicContact CG2-CB 4.17Å; I174-F181 HydrophobicContact CG2-CD1 4.19Å; I174-F181 HydrophobicContact CG2-CG 4.2Å; I174-F181 WeakPolarHBondContact O-CB 3.34Å; I174-V190 HydrophobicContact CB-CG2 4.39Å; I174-V190 HydrophobicContact CG2-CG2 3.67Å; I174-I216 HydrophobicContact CD1-CG2 4.4Å; I174-L218 HydrophobicContact CD1-CD1 4.44Å; I174-L218 HydrophobicContact CD1-CD2 4.41Å
175L88.3Confident87.8Confident54 Ų5456.4 Ų56.428%0.28329%0.286SS..Iπ-helixtrans-81-32.9-173-65.6-177.9000113.3R171 S182 V190R171-L175 HydrophobicContact CG-CD1 3.65Å; R171-L175 HydrophobicContact CG-CG 4.08Å; R171-L175 WeakPolarHBondContact O-CG 3.31Å; R171-L175 PolarHBondContact O-N 3.02Å; L175-S182 WeakPolarHBondContact O-CB 3.44Å; L175-V190 HydrophobicContact CD2-CB 4.28Å; L175-V190 HydrophobicContact CD2-CG2 3.78Å; L175-V190 HydrophobicContact CG-CG2 4.42Å
176F85.4Confident87.7Confident132 Ų13261 Ų6158%0.57930%0.304SS*.Iπ-helixtrans-127-55.1-167.4-47.6-60.9000113D172 S182D172-F176 HydrophobicContact CB-CD2 4.17Å; D172-F176 WeakPolarHBondContact O-CB 3.37Å; D172-F176 WeakPolarHBondContact O-CD2 3.35Å; D172-F176 PolarHBondContact O-N 3.09Å; F176-S182 WeakPolarHBondContact O-CB 3.36Å; F176-S182 PolarHBondContact O-OG 2.85Å
177D84.8Confident87.4Confident113 Ų11361.4 Ų61.460%0.60431%0.312SS*.Iπ-helixtrans-76.8-43.3-164.6-49.6-37.3000113.9D172 R173 K179D172-D177 PolarHBondContact O-N 3.45Å; R173-D177 WeakPolarHBondContact CA-OD2 3.46Å; R173-D177 PolarHBondContact O-N 3.14Å; D177-K179 PolarHBondContact O-N 3.27Å
178D87.6Confident87.3Confident31 Ų3163 Ų6317%0.16632%0.318CS..  trans-87.7111-172.9-168.1-24.1000111.8M142 R173 R180 F181 S182M142-D178 HydrophobicContact CE-CB 3.43Å; M142-D178 VanDerWaalsContact CE-CB 3.43Å; M142-D178 VanDerWaalsContact CE-OD2 3.3Å; M142-D178 WeakPolarHBondContact CE-OD2 3.38Å; R173-D178 WeakPolarHBondContact O-CB 3.38Å; R173-D178 PolarHBondContact O-N 3.3Å; D178-R180 PolarHBondContact O-N 2.93Å; D178-R180 WeakPolarHBondContact OD1-CB 3.26Å; D178-R180 VanDerWaalsContact OD1-CG 3.27Å; D178-R180 WeakPolarHBondContact OD1-CG 3.48Å; D178-R180 PolarHBondContact OD1-N 2.79Å; D178-R180 IonicContact OD1-NE 3.59Å; D178-R180 PolarHBondContact OD1-NE 3.02Å; D178-R180 IonicContact OD2-CZ 2.63Å; D178-R180 IonicContact OD2-NE 3.15Å; D178-R180 PolarHBondContact OD2-NE 2.9Å; D178-R180 IonicContact OD2-NH2 2.79Å; D178-R180 PolarHBondContact OD2-NH2 3.34Å; D178-F181 HydrophobicContact CB-CD2 4.23Å; D178-F181 PolarHBondContact O-N 2.71Å; D178-S182 PolarHBondContact O-N 3.39Å; D178-S182 PolarHBondContact O-OG 3.48Å
179K88.1Confident87.5Confident167 Ų16765.8 Ų65.873%0.72633%0.33SS*.Hα-helixtrans-55.9-21.5178.2-63.7-178.5-179.3178.50113.9D177 F181 T183D177-K179 PolarHBondContact O-N 3.27Å; K179-F181 PolarHBondContact O-N 2.95Å; K179-T183 VanDerWaalsContact O-CG2 3.28Å; K179-T183 WeakPolarHBondContact O-CG2 3.2Å; K179-T183 PolarHBondContact O-OG1 3.16Å
180R88.4Confident87.7Confident82 Ų8264.8 Ų64.831%0.30932%0.321SS..Hα-helixtrans-65.7-21.2174-64.4-179.7-69.2-1750.4113.1T143 D178T143-R180 PolarHBondContact OG1-NH1 2.91Å; D178-R180 PolarHBondContact O-N 2.93Å; D178-R180 WeakPolarHBondContact OD1-CB 3.26Å; D178-R180 VanDerWaalsContact OD1-CG 3.27Å; D178-R180 WeakPolarHBondContact OD1-CG 3.48Å; D178-R180 PolarHBondContact OD1-N 2.79Å; D178-R180 IonicContact OD1-NE 3.59Å; D178-R180 PolarHBondContact OD1-NE 3.02Å; D178-R180 IonicContact OD2-CZ 2.63Å; D178-R180 IonicContact OD2-NE 3.15Å; D178-R180 PolarHBondContact OD2-NE 2.9Å; D178-R180 IonicContact OD2-NH2 2.79Å; D178-R180 PolarHBondContact OD2-NH2 3.34Å
181F87.9Confident87.6Confident0 Ų066.1 Ų66.10%033%0.327CS..Hα-helixtrans-121.1-45.8-177.7-64.1-87.1000112.6M142 L145 H146 I174 D178 K179 T183 H184 S185 Y188M142-F181 HydrophobicContact CE-CD2 3.52Å; M142-F181 HydrophobicContact CE-CE2 3.54Å; M142-F181 HydrophobicContact SD-CE2 4.4Å; L145-F181 HydrophobicContact CB-CZ 4.19Å; L145-F181 HydrophobicContact CD2-CE1 4.1Å; L145-F181 HydrophobicContact CD2-CZ 3.93Å; L145-F181 HydrophobicContact CG-CE1 3.94Å; L145-F181 HydrophobicContact CG-CZ 3.76Å; H146-F181 HydrophobicContact CB-CE2 4.01Å; H146-F181 HydrophobicContact CB-CZ 3.74Å; I174-F181 HydrophobicContact CG2-CB 4.17Å; I174-F181 HydrophobicContact CG2-CD1 4.19Å; I174-F181 HydrophobicContact CG2-CG 4.2Å; I174-F181 WeakPolarHBondContact O-CB 3.34Å; D178-F181 HydrophobicContact CB-CD2 4.23Å; D178-F181 PolarHBondContact O-N 2.71Å; K179-F181 PolarHBondContact O-N 2.95Å; F181-T183 PolarHBondContact O-N 3.1Å; F181-H184 CarbonylContact O-C 3.41Å; F181-H184 VanDerWaalsContact O-C 3.3Å; F181-H184 PolarHBondContact O-N 2.84Å; F181-S185 PolarHBondContact O-N 3.27Å; F181-Y188 HydrophobicContact CB-CE2 4.39Å; F181-Y188 HydrophobicContact CD1-CD1 4.4Å; F181-Y188 HydrophobicContact CD1-CD2 4.24Å; F181-Y188 HydrophobicContact CD1-CE1 4.03Å; F181-Y188 AromaticContact CD1-CE2 3.84Å; F181-Y188 HydrophobicContact CD1-CE2 3.84Å; F181-Y188 AromaticContact CD1-CZ 3.73Å; F181-Y188 HydrophobicContact CE1-CE1 4.24Å
182S81.9Confident87.6Confident34 Ų3466.1 Ų66.124%0.23833%0.329CS..Hα-helixtrans-64.8-25.7-173.461.50000113.8L175 F176 D178 H184 S185L175-S182 WeakPolarHBondContact O-CB 3.44Å; F176-S182 WeakPolarHBondContact O-CB 3.36Å; F176-S182 PolarHBondContact O-OG 2.85Å; D178-S182 PolarHBondContact O-N 3.39Å; D178-S182 PolarHBondContact O-OG 3.48Å; S182-H184 VanDerWaalsContact C-N 3.27Å; S182-H184 PolarHBondContact O-N 3.19Å; S182-S185 PolarHBondContact O-OG 2.91Å
183T81.9Confident87.6Confident93 Ų9364.9 Ų64.957%0.57132%0.323SS*.THydrogen-bonded Turntrans-68.9-20.3171.853.50000114.3K179 F181K179-T183 VanDerWaalsContact O-CG2 3.28Å; K179-T183 WeakPolarHBondContact O-CG2 3.2Å; K179-T183 PolarHBondContact O-OG1 3.16Å; F181-T183 PolarHBondContact O-N 3.1Å
184H82Confident87.4Confident115 Ų11563.2 Ų63.253%0.53232%0.317SS..THydrogen-bonded Turntrans-126.935.2-177.2-64.179.7000110.4F181 S182 E186 S187 Y188F181-H184 CarbonylContact O-C 3.41Å; F181-H184 VanDerWaalsContact O-C 3.3Å; F181-H184 PolarHBondContact O-N 2.84Å; S182-H184 VanDerWaalsContact C-N 3.27Å; S182-H184 PolarHBondContact O-N 3.19Å; H184-E186 PolarHBondContact O-N 2.9Å; H184-E186 VanDerWaalsContact O-N 3.16Å; H184-S187 VanDerWaalsContact O-CB 3.27Å; H184-S187 WeakPolarHBondContact O-CB 3.27Å; H184-S187 PolarHBondContact O-N 3.48Å; H184-S187 PolarHBondContact O-OG 2.97Å; H184-Y188 HydrophobicContact CB-CE2 4.04Å; H184-Y188 WeakPolarHBondContact O-CD2 3.45Å; H184-Y188 WeakPolarHBondContact O-CE2 3.42Å
185S80.6Confident86.9Confident63 Ų6365.3 Ų65.344%0.44133%0.332SS..G310 helixtrans-58.7-29.8-170.247.60000114.4F181 S182 S187 Y188F181-S185 PolarHBondContact O-N 3.27Å; S182-S185 PolarHBondContact O-OG 2.91Å; S185-S187 PolarHBondContact O-N 3.07Å; S185-Y188 PolarHBondContact O-N 3.5Å
186E84.4Confident86.3Confident180 Ų18064.9 Ų64.984%0.84133%0.33SS*.G310 helixtrans-65.5-24.1174.2-59.7-169.7162.800113.5H184 Y188H184-E186 PolarHBondContact O-N 2.9Å; H184-E186 VanDerWaalsContact O-N 3.16Å; E186-Y188 PolarHBondContact O-N 3.11Å
187S87.4Confident85.8Confident51 Ų5159 Ų5936%0.35731%0.305SS..G310 helixtrans-76.6-6.9177.3-54.40000113.4H184 S185 R214H184-S187 VanDerWaalsContact O-CB 3.27Å; H184-S187 WeakPolarHBondContact O-CB 3.27Å; H184-S187 PolarHBondContact O-N 3.48Å; H184-S187 PolarHBondContact O-OG 2.97Å; S185-S187 PolarHBondContact O-N 3.07Å; S187-R214 WeakPolarHBondContact O-CB 3.3Å; S187-R214 PolarHBondContact O-N 3.29Å
188Y91.3Very high85.2Confident38 Ų3855.8 Ų55.815%0.14929%0.286CS..EExtended strand (participates in β ladder)trans-128.2137.4-172.3-57.4-72000112.4C149 F181 H184 S185 E186 R214 I216C149-Y188 HydrophobicContact CB-CE1 3.94Å; F181-Y188 HydrophobicContact CB-CE2 4.39Å; F181-Y188 HydrophobicContact CD1-CD1 4.4Å; F181-Y188 HydrophobicContact CD1-CD2 4.24Å; F181-Y188 HydrophobicContact CD1-CE1 4.03Å; F181-Y188 AromaticContact CD1-CE2 3.84Å; F181-Y188 HydrophobicContact CD1-CE2 3.84Å; F181-Y188 AromaticContact CD1-CZ 3.73Å; F181-Y188 HydrophobicContact CE1-CE1 4.24Å; H184-Y188 HydrophobicContact CB-CE2 4.04Å; H184-Y188 WeakPolarHBondContact O-CD2 3.45Å; H184-Y188 WeakPolarHBondContact O-CE2 3.42Å; S185-Y188 PolarHBondContact O-N 3.5Å; E186-Y188 PolarHBondContact O-N 3.11Å; Y188-R214 WeakPolarHBondContact CA-O 3.35Å; Y188-R214 HydrophobicContact CD1-CB 3.76Å; Y188-R214 HydrophobicContact CD1-CG 4.01Å; Y188-R214 HydrophobicContact CE1-CB 4.12Å; Y188-R214 HydrophobicContact CE1-CG 4.26Å; Y188-I216 HydrophobicContact CD1-CD1 3.77Å; Y188-I216 HydrophobicContact CG-CD1 4.38Å
189Q92.2Very high84.6Confident75 Ų7556.8 Ų56.835%0.3529%0.293SS..EExtended strand (participates in β ladder)trans-123.8101.8171.3-164.2174.136.800110.2F191 V213 R214 I216Q189-F191 HydrophobicContact CB-CE2 4.22Å; Q189-F191 HydrophobicContact CG-CD2 4.41Å; Q189-F191 HydrophobicContact CG-CE1 4.5Å; Q189-F191 HydrophobicContact CG-CE2 3.61Å; Q189-F191 HydrophobicContact CG-CZ 3.68Å; Q189-V213 HydrophobicContact CB-CG1 3.84Å; Q189-R214 PolarHBondContact N-O 2.94Å; Q189-I216 PolarHBondContact O-N 2.86Å
190V92.5Very high84Confident26 Ų2653.6 Ų53.616%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-91.4119.9-177.4-1690000110.7R171 I174 L175 I216 L218R171-V190 HydrophobicContact CB-CG1 4.47Å; R171-V190 HydrophobicContact CG-CG1 3.97Å; I174-V190 HydrophobicContact CB-CG2 4.39Å; I174-V190 HydrophobicContact CG2-CG2 3.67Å; L175-V190 HydrophobicContact CD2-CB 4.28Å; L175-V190 HydrophobicContact CD2-CG2 3.78Å; L175-V190 HydrophobicContact CG-CG2 4.42Å; V190-I216 CarbonylContact C-O 3.56Å; V190-I216 WeakPolarHBondContact CA-O 3.5Å; V190-I216 HydrophobicContact CG2-CB 4.38Å; V190-I216 HydrophobicContact CG2-CD1 4.43Å; V190-L218 HydrophobicContact CG1-CD1 3.96Å; V190-L218 HydrophobicContact CG1-CG 4.01Å
191F92.3Very high83.3Confident29 Ų2951.4 Ų51.413%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-106.1149.3173-65.1-79.5000110.7Q189 R204 A205 K215 I216 I217 L218Q189-F191 HydrophobicContact CB-CE2 4.22Å; Q189-F191 HydrophobicContact CG-CD2 4.41Å; Q189-F191 HydrophobicContact CG-CE1 4.5Å; Q189-F191 HydrophobicContact CG-CE2 3.61Å; Q189-F191 HydrophobicContact CG-CZ 3.68Å; F191-R204 HydrophobicContact CD1-CB 4.35Å; F191-R204 HydrophobicContact CE1-CB 3.87Å; F191-A205 HydrophobicContact CB-CB 3.86Å; F191-A205 HydrophobicContact CD1-CB 4.11Å; F191-A205 HydrophobicContact CG-CB 3.97Å; F191-K215 HydrophobicContact CD2-CG 4.02Å; F191-K215 HydrophobicContact CE2-CG 3.98Å; F191-I216 PolarHBondContact N-O 3.45Å; F191-I217 HydrophobicContact CB-CG2 4.45Å; F191-L218 PolarHBondContact O-N 3.5Å
192T90.7Very high82.9Confident16 Ų1652.8 Ų52.810%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-119.6136.9174.350.80000109.8I167 R171 M197 L218I167-T192 HydrophobicContact CG2-CG2 3.48Å; I167-T192 VanDerWaalsContact CG2-CG2 3.48Å; R171-T192 HydrophobicContact CB-CG2 4.4Å; T192-M197 WeakPolarHBondContact O-CE 3.28Å; T192-M197 VanDerWaalsContact O-SD 3.4Å; T192-M197 WeakPolarHBondContact OG1-CE 3.34Å; T192-L218 CarbonylContact C-O 3.56Å; T192-L218 WeakPolarHBondContact CA-O 3.3Å; T192-L218 HydrophobicContact CG2-CB 4.39Å; T192-L218 HydrophobicContact CG2-CD1 4.5Å
193L89.4Confident82.9Confident0 Ų057.1 Ų57.10%030%0.299CS..EExtended strand (participates in β ladder)trans-129.498.6-177.2-72-179.3000110.3Q202 A205 I217 L218 S219 T220 I222 I227 I229L193-Q202 HydrophobicContact CD2-CB 4.18Å; L193-Q202 HydrophobicContact CD2-CG 3.94Å; L193-A205 HydrophobicContact CD1-CB 4.28Å; L193-A205 HydrophobicContact CD2-CB 3.86Å; L193-A205 HydrophobicContact CG-CB 4.19Å; L193-I217 HydrophobicContact CD1-CG2 3.51Å; L193-I217 HydrophobicContact CG-CG2 4Å; L193-L218 PolarHBondContact N-O 3.16Å; L193-S219 WeakPolarHBondContact O-CA 3.42Å; L193-T220 PolarHBondContact O-N 2.94Å; L193-I222 HydrophobicContact CB-CG2 4.15Å; L193-I227 HydrophobicContact CD1-CD1 4.42Å; L193-I227 HydrophobicContact CD2-CD1 4.28Å; L193-I229 HydrophobicContact CD1-CD1 3.85Å
194H87.2Confident83Confident26 Ų2659.8 Ų59.812%0.1230%0.299CS..  trans-116.1158.4165.5-153.2-99.8000109.5D196 M197 Q202 T220H194-D196 VanDerWaalsContact C-N 3.31Å; H194-D196 IonicContact CE1-OD2 3.88Å; H194-D196 PolarHBondContact CE1-OD2 2.95Å; H194-D196 IonicContact ND1-OD2 2.8Å; H194-D196 PolarHBondContact ND1-OD2 2.95Å; H194-D196 PolarHBondContact O-N 3.43Å; H194-M197 HydrophobicContact CB-CG 3.92Å; H194-M197 HydrophobicContact CB-SD 4.11Å; H194-M197 PolarHBondContact O-N 3.11Å; H194-Q202 PolarHBondContact O-NE2 3.38Å; H194-Q202 VanDerWaalsContact O-NE2 3.11Å; H194-T220 VanDerWaalsContact CD2-CG2 3.44Å; H194-T220 WeakPolarHBondContact CD2-CG2 3.45Å
195S81Confident83.2Confident47 Ų4754.3 Ų54.333%0.32927%0.273SS..THydrogen-bonded Turntrans-71.3-27.3176.563.70000112.6M197 R399S195-M197 VanDerWaalsContact C-N 3.31Å; S195-R399 VanDerWaalsContact O-CZ 3.26Å; S195-R399 PolarHBondContact O-NH1 2.78Å; S195-R399 PolarHBondContact O-NH2 3.01Å; S195-R399 PolarHBondContact OG-NH2 3.12Å
196D75.4Confident83.5Confident45 Ų4555 Ų5524%0.24127%0.271CS..THydrogen-bonded Turntrans-84.67.4176-54.2-82.2000114.4H194 R399 T403 L404H194-D196 VanDerWaalsContact C-N 3.31Å; H194-D196 IonicContact CE1-OD2 3.88Å; H194-D196 PolarHBondContact CE1-OD2 2.95Å; H194-D196 IonicContact ND1-OD2 2.8Å; H194-D196 PolarHBondContact ND1-OD2 2.95Å; H194-D196 PolarHBondContact O-N 3.43Å; D196-R399 VanDerWaalsContact N-NH2 3.2Å; D196-R399 IonicContact OD1-CZ 3.6Å; D196-R399 IonicContact OD1-NE 3.7Å; D196-R399 PolarHBondContact OD1-NE 3.32Å; D196-R399 IonicContact OD1-NH2 2.68Å; D196-R399 PolarHBondContact OD1-NH2 3.35Å; D196-R399 IonicContact OD2-NH2 2.61Å; D196-R399 PolarHBondContact OD2-NH2 3.35Å; D196-T403 WeakPolarHBondContact O-CA 3.36Å; D196-T403 VanDerWaalsContact O-CB 3.32Å; D196-T403 WeakPolarHBondContact O-CB 3.48Å; D196-T403 WeakPolarHBondContact O-CG2 3.36Å; D196-L404 HydrophobicContact CB-CD1 4.34Å; D196-L404 HydrophobicContact CB-CG 4.28Å; D196-L404 PolarHBondContact O-N 2.64Å
197M74.8Confident83.7Confident9 Ų953.2 Ų53.24%0.04426%0.26CS..SBendtrans-89161.7175.1-78.3-179.374.600112.2T192 H194 S195 D201 A406T192-M197 WeakPolarHBondContact O-CE 3.28Å; T192-M197 VanDerWaalsContact O-SD 3.4Å; T192-M197 WeakPolarHBondContact OG1-CE 3.34Å; H194-M197 HydrophobicContact CB-CG 3.92Å; H194-M197 HydrophobicContact CB-SD 4.11Å; H194-M197 PolarHBondContact O-N 3.11Å; S195-M197 VanDerWaalsContact C-N 3.31Å; M197-D201 HydrophobicContact CE-CB 4.07Å; M197-A406 HydrophobicContact CE-CB 4.34Å
198Q71.9Confident83.6Confident44 Ų4455.8 Ų55.821%0.20628%0.275CS..  trans-64.7138.2178.3-63.6-174.614.300112L200 D201 Q202 T403Q198-L200 PolarHBondContact O-N 3.35Å; Q198-L200 VanDerWaalsContact O-N 3.07Å; Q198-D201 PolarHBondContact O-N 3.03Å; Q198-Q202 PolarHBondContact O-N 2.85Å; Q198-T403 HydrophobicContact CG-CG2 4.03Å
199T75.6Confident83.5Confident52 Ų5255.1 Ų55.132%0.31928%0.278SS..Hα-helixtrans-60.1-20.7177.9-46.80000113.2K203 S460T199-K203 WeakPolarHBondContact O-CB 3.47Å; T199-K203 VanDerWaalsContact O-CG 3.29Å; T199-K203 WeakPolarHBondContact O-CG 3.42Å; T199-K203 PolarHBondContact O-N 3Å; T199-S460 PolarHBondContact OG1-OG 3.33Å
200L75.4Confident83.3Confident100 Ų10055.3 Ų55.352%0.52429%0.286SS..Hα-helixtrans-68.5-39.1173.6-77169.3000112.4Q198 K203 R204Q198-L200 PolarHBondContact O-N 3.35Å; Q198-L200 VanDerWaalsContact O-N 3.07Å; L200-K203 CarbonylContact O-C 3.3Å; L200-K203 PolarHBondContact O-N 3.2Å; L200-R204 WeakPolarHBondContact O-CG 2.92Å; L200-R204 PolarHBondContact O-N 3.43Å
201D73.7Confident83Confident37 Ų3760.5 Ų60.520%0.19832%0.323CS..Hα-helixtrans-74.1-37.8178.7-64.4-48.5000111.9M197 Q198 K203 R204 A205M197-D201 HydrophobicContact CE-CB 4.07Å; Q198-D201 PolarHBondContact O-N 3.03Å; D201-K203 VanDerWaalsContact C-N 3.27Å; D201-K203 PolarHBondContact O-N 2.99Å; D201-R204 WeakPolarHBondContact O-CB 3.33Å; D201-R204 PolarHBondContact O-N 3.49Å; D201-R204 WeakPolarHBondContact OD1-CD 3.03Å; D201-R204 IonicContact OD1-CZ 3.04Å; D201-R204 IonicContact OD1-NE 3.65Å; D201-R204 IonicContact OD1-NH1 2.72Å; D201-R204 PolarHBondContact OD1-NH1 2.92Å; D201-A205 PolarHBondContact O-N 3.18Å
202Q78.6Confident82.7Confident28 Ų2862.4 Ų62.413%0.13135%0.351CS..Hα-helixtrans-56.5-42.7168.2-63.8170-9.800111.1L193 H194 Q198 R204 A205 M206L193-Q202 HydrophobicContact CD2-CB 4.18Å; L193-Q202 HydrophobicContact CD2-CG 3.94Å; H194-Q202 PolarHBondContact O-NE2 3.38Å; H194-Q202 VanDerWaalsContact O-NE2 3.11Å; Q198-Q202 PolarHBondContact O-N 2.85Å; Q202-R204 VanDerWaalsContact C-N 3.35Å; Q202-R204 PolarHBondContact O-N 2.7Å; Q202-A205 PolarHBondContact O-N 3.5Å; Q202-M206 PolarHBondContact O-N 3.16Å
203K83Confident82.7Confident125 Ų12563.3 Ų63.354%0.54336%0.357SS..Hα-helixtrans-70.9-21.6174.4-76.1176.4178.7-178.10114.7T199 L200 D201 M206T199-K203 WeakPolarHBondContact O-CB 3.47Å; T199-K203 VanDerWaalsContact O-CG 3.29Å; T199-K203 WeakPolarHBondContact O-CG 3.42Å; T199-K203 PolarHBondContact O-N 3Å; L200-K203 CarbonylContact O-C 3.3Å; L200-K203 PolarHBondContact O-N 3.2Å; D201-K203 VanDerWaalsContact C-N 3.27Å; D201-K203 PolarHBondContact O-N 2.99Å; K203-M206 HydrophobicContact CB-CE 4.37Å; K203-M206 HydrophobicContact CG-CE 3.83Å
204R83.9Confident82.9Confident149 Ų14964.4 Ų64.456%0.56236%0.361SS*.Hα-helixtrans-72.9-45.7170.5-72.7166.5170.8162.2-7110.4F191 L200 D201 Q202 M206 K207F191-R204 HydrophobicContact CD1-CB 4.35Å; F191-R204 HydrophobicContact CE1-CB 3.87Å; L200-R204 WeakPolarHBondContact O-CG 2.92Å; L200-R204 PolarHBondContact O-N 3.43Å; D201-R204 WeakPolarHBondContact O-CB 3.33Å; D201-R204 PolarHBondContact O-N 3.49Å; D201-R204 WeakPolarHBondContact OD1-CD 3.03Å; D201-R204 IonicContact OD1-CZ 3.04Å; D201-R204 IonicContact OD1-NE 3.65Å; D201-R204 IonicContact OD1-NH1 2.72Å; D201-R204 PolarHBondContact OD1-NH1 2.92Å; Q202-R204 VanDerWaalsContact C-N 3.35Å; Q202-R204 PolarHBondContact O-N 2.7Å; R204-M206 PolarHBondContact O-N 2.91Å; R204-K207 PolarHBondContact O-N 3.09Å
205A85.4Confident83.3Confident0 Ų063.3 Ų63.30%036%0.356CS..Hα-helixtrans-64-22.3179.500000114.4F191 L193 D201 Q202 K207 K215F191-A205 HydrophobicContact CB-CB 3.86Å; F191-A205 HydrophobicContact CD1-CB 4.11Å; F191-A205 HydrophobicContact CG-CB 3.97Å; L193-A205 HydrophobicContact CD1-CB 4.28Å; L193-A205 HydrophobicContact CD2-CB 3.86Å; L193-A205 HydrophobicContact CG-CB 4.19Å; D201-A205 PolarHBondContact O-N 3.18Å; Q202-A205 PolarHBondContact O-N 3.5Å; A205-K207 VanDerWaalsContact C-N 3.33Å; A205-K215 WeakPolarHBondContact O-CE 3.37Å; A205-K215 PolarHBondContact O-NZ 3.35Å
206M86.3Confident84Confident78 Ų7861.1 Ų61.138%0.38434%0.34SS..THydrogen-bonded Turntrans-77.9-9.8173.7-73.4-175.2-72.500114.4Q202 K203 R204 I227 I229Q202-M206 PolarHBondContact O-N 3.16Å; K203-M206 HydrophobicContact CB-CE 4.37Å; K203-M206 HydrophobicContact CG-CE 3.83Å; R204-M206 PolarHBondContact O-N 2.91Å; M206-I227 HydrophobicContact CG-CG2 3.88Å; M206-I227 HydrophobicContact SD-CG2 3.9Å; M206-I229 HydrophobicContact CG-CG1 4.43Å
207K88.9Confident84.9Confident143 Ų14359 Ų5962%0.62233%0.329SS*.SBendtrans-85.4148.2177.7-64.9-172.7177-170.90111.8R204 A205 K215R204-K207 PolarHBondContact O-N 3.09Å; A205-K207 VanDerWaalsContact C-N 3.33Å; K207-K215 VanDerWaalsContact O-CE 3.31Å; K207-K215 WeakPolarHBondContact O-CE 3.34Å; K207-K215 PolarHBondContact O-NZ 2.95Å
208P87Confident86Confident104 Ų10458.5 Ų58.568%0.67533%0.326SS*.PPolyproline II helixtrans-59.6147.4167-22.634.1000111.8D231P208-D231 WeakPolarHBondContact CA-OD2 3.3Å
209A88.1Confident87.1Confident25 Ų2556.4 Ų56.421%0.20732%0.317CS..PPolyproline II helixtrans-76.6161.1170.100000111.9K215A209-K215 HydrophobicContact CB-CB 3.83Å; A209-K215 HydrophobicContact CB-CG 4.49Å
210P89Confident87.9Confident79 Ų7954.3 Ų54.351%0.51330%0.303SS..PPolyproline II helixtrans-59.1155.4170.9-22.134000112.7V213P210-V213 HydrophobicContact CB-CB 4.44Å; P210-V213 HydrophobicContact CB-CG2 4.05Å; P210-V213 HydrophobicContact CG-CG2 4.39Å; P210-V213 PolarHBondContact O-N 3.28Å; P210-V213 VanDerWaalsContact O-N 3.11Å
211S85.1Confident88.7Confident134 Ų13452.9 Ų52.994%0.93730%0.296SS*.THydrogen-bonded Turntrans-60.1139.4172.9-166.80000110.8V213S211-V213 VanDerWaalsContact C-N 3.27Å; S211-V213 PolarHBondContact O-N 2.7Å
212G86.1Confident89.5Confident70 Ų7052.2 Ų52.272%0.72229%0.293SS*.THydrogen-bonded Turntrans80.6-9.2-173.300000115.6
213V91.8Very high90Very high35 Ų3550.9 Ų50.921%0.21229%0.287CS..  trans-105.6126.4-177.2-176.70000111.5Q189 P210 S211 K215Q189-V213 HydrophobicContact CB-CG1 3.84Å; P210-V213 HydrophobicContact CB-CB 4.44Å; P210-V213 HydrophobicContact CB-CG2 4.05Å; P210-V213 HydrophobicContact CG-CG2 4.39Å; P210-V213 PolarHBondContact O-N 3.28Å; P210-V213 VanDerWaalsContact O-N 3.11Å; S211-V213 VanDerWaalsContact C-N 3.27Å; S211-V213 PolarHBondContact O-N 2.7Å; V213-K215 PolarHBondContact O-N 3.18Å
214R93Very high90.3Very high23 Ų2345.7 Ų45.79%0.08726%0.264CS..EExtended strand (participates in β ladder)trans-80.2109.1176.2177.285.9-53.5135.320.9111.1T152 N153 E154 G155 S187 Y188 Q189 I216T152-R214 PolarHBondContact O-NH1 2.87Å; N153-R214 VanDerWaalsContact C-NH2 3.35Å; N153-R214 PolarHBondContact O-NH1 2.61Å; N153-R214 PolarHBondContact O-NH2 2.91Å; E154-R214 VanDerWaalsContact C-NH1 3.26Å; E154-R214 VanDerWaalsContact N-NH1 3.16Å; E154-R214 PolarHBondContact O-NH1 3.44Å; G155-R214 PolarHBondContact O-NE 2.79Å; G155-R214 PolarHBondContact O-NH1 3.39Å; G155-R214 PolarHBondContact O-NH2 3.07Å; S187-R214 WeakPolarHBondContact O-CB 3.3Å; S187-R214 PolarHBondContact O-N 3.29Å; Y188-R214 WeakPolarHBondContact CA-O 3.35Å; Y188-R214 HydrophobicContact CD1-CB 3.76Å; Y188-R214 HydrophobicContact CD1-CG 4.01Å; Y188-R214 HydrophobicContact CE1-CB 4.12Å; Y188-R214 HydrophobicContact CE1-CG 4.26Å; Q189-R214 PolarHBondContact N-O 2.94Å; R214-I216 HydrophobicContact CG-CD1 4.32Å; R214-I216 HydrophobicContact CG-CG1 3.96Å
215K94.6Very high90.1Very high3 Ų342.8 Ų42.81%0.01326%0.263CS..EExtended strand (participates in β ladder)trans-68.5126.4167-169176.6-179.4-172.80111.7A156 V157 F191 A205 K207 A209 V213 I217 D231A156-K215 WeakPolarHBondContact CA-O 3.35Å; A156-K215 HydrophobicContact CB-CB 3.73Å; A156-K215 HydrophobicContact CB-CD 3.81Å; A156-K215 HydrophobicContact CB-CG 3.97Å; V157-K215 PolarHBondContact N-O 3.15Å; F191-K215 HydrophobicContact CD2-CG 4.02Å; F191-K215 HydrophobicContact CE2-CG 3.98Å; A205-K215 WeakPolarHBondContact O-CE 3.37Å; A205-K215 PolarHBondContact O-NZ 3.35Å; K207-K215 VanDerWaalsContact O-CE 3.31Å; K207-K215 WeakPolarHBondContact O-CE 3.34Å; K207-K215 PolarHBondContact O-NZ 2.95Å; A209-K215 HydrophobicContact CB-CB 3.83Å; A209-K215 HydrophobicContact CB-CG 4.49Å; V213-K215 PolarHBondContact O-N 3.18Å; K215-I217 HydrophobicContact CD-CD1 4.24Å; K215-I217 HydrophobicContact CD-CG1 4.49Å; K215-I217 HydrophobicContact CG-CD1 4.34Å; K215-I217 HydrophobicContact CG-CG1 4.06Å; K215-D231 WeakPolarHBondContact CD-OD2 3.18Å; K215-D231 VanDerWaalsContact NZ-CG 3.28Å; K215-D231 IonicContact NZ-OD1 2.64Å; K215-D231 PolarHBondContact NZ-OD1 3.47Å; K215-D231 IonicContact NZ-OD2 3.43Å; K215-D231 PolarHBondContact NZ-OD2 2.96Å
216I95.8Very high89.3Confident0 Ų047.2 Ų47.20%029%0.294CS..EExtended strand (participates in β ladder)trans-126.7133.5175.2-58.4168.6000107.6L145 V157 I159 I174 Y188 Q189 V190 F191 R214 L218L145-I216 HydrophobicContact CD1-CD1 4.13Å; L145-I216 HydrophobicContact CD1-CG1 4.31Å; L145-I216 HydrophobicContact CD1-CG2 4.39Å; L145-I216 HydrophobicContact CD2-CD1 4.28Å; L145-I216 HydrophobicContact CD2-CG2 4.48Å; V157-I216 CarbonylContact O-C 3.55Å; V157-I216 WeakPolarHBondContact O-CA 3.48Å; I159-I216 HydrophobicContact CD1-CG2 4.27Å; I174-I216 HydrophobicContact CD1-CG2 4.4Å; Y188-I216 HydrophobicContact CD1-CD1 3.77Å; Y188-I216 HydrophobicContact CG-CD1 4.38Å; Q189-I216 PolarHBondContact O-N 2.86Å; V190-I216 CarbonylContact C-O 3.56Å; V190-I216 WeakPolarHBondContact CA-O 3.5Å; V190-I216 HydrophobicContact CG2-CB 4.38Å; V190-I216 HydrophobicContact CG2-CD1 4.43Å; F191-I216 PolarHBondContact N-O 3.45Å; R214-I216 HydrophobicContact CG-CD1 4.32Å; R214-I216 HydrophobicContact CG-CG1 3.96Å; I216-L218 HydrophobicContact CG2-CD2 3.89Å
217I95.7Very high88.8Confident0 Ų044.2 Ų44.20%028%0.28CS..EExtended strand (participates in β ladder)trans-130.5113.4-171.3-44.3176.4000108.9V157 L158 I159 F191 L193 K215 I229 V232V157-I217 PolarHBondContact O-N 2.87Å; L158-I217 CarbonylContact C-O 3.56Å; L158-I217 HydrophobicContact CD1-CB 3.96Å; L158-I217 HydrophobicContact CD1-CG2 3.91Å; I159-I217 PolarHBondContact N-O 3.35Å; F191-I217 HydrophobicContact CB-CG2 4.45Å; L193-I217 HydrophobicContact CD1-CG2 3.51Å; L193-I217 HydrophobicContact CG-CG2 4Å; K215-I217 HydrophobicContact CD-CD1 4.24Å; K215-I217 HydrophobicContact CD-CG1 4.49Å; K215-I217 HydrophobicContact CG-CD1 4.34Å; K215-I217 HydrophobicContact CG-CG1 4.06Å; I217-I229 HydrophobicContact CD1-CD1 3.77Å; I217-I229 HydrophobicContact CD1-CG2 3.84Å; I217-I229 HydrophobicContact CG2-CD1 4.27Å; I217-V232 HydrophobicContact CD1-CG2 4.06Å
218L96.1Very high88.2Confident0 Ų040.8 Ų40.80%027%0.271CS..EExtended strand (participates in β ladder)trans-100.4113.1-178.9-48.7-172000109.1I159 L161 I167 L170 R171 I174 V190 F191 T192 L193 I216I159-L218 HydrophobicContact CB-CD2 3.86Å; I159-L218 HydrophobicContact CD1-CD2 3.64Å; I159-L218 HydrophobicContact CG1-CD2 3.87Å; L161-L218 HydrophobicContact CD1-CB 4.49Å; I167-L218 HydrophobicContact CG1-CB 4.36Å; I167-L218 HydrophobicContact CG2-CB 3.99Å; I167-L218 WeakPolarHBondContact O-CD1 3.46Å; L170-L218 HydrophobicContact CB-CD1 4.2Å; L170-L218 HydrophobicContact CD2-CD1 4.36Å; L170-L218 HydrophobicContact CD2-CD2 3.9Å; L170-L218 HydrophobicContact CG-CD1 4.34Å; R171-L218 HydrophobicContact CB-CD1 3.82Å; I174-L218 HydrophobicContact CD1-CD1 4.44Å; I174-L218 HydrophobicContact CD1-CD2 4.41Å; V190-L218 HydrophobicContact CG1-CD1 3.96Å; V190-L218 HydrophobicContact CG1-CG 4.01Å; F191-L218 PolarHBondContact O-N 3.5Å; T192-L218 CarbonylContact C-O 3.56Å; T192-L218 WeakPolarHBondContact CA-O 3.3Å; T192-L218 HydrophobicContact CG2-CB 4.39Å; T192-L218 HydrophobicContact CG2-CD1 4.5Å; L193-L218 PolarHBondContact N-O 3.16Å; I216-L218 HydrophobicContact CG2-CD2 3.89Å
219S95.1Very high88.2Confident0 Ų036.2 Ų36.20%024%0.241CC..EExtended strand (participates in β ladder)trans-133.7150.2-165.8-172.40000113.3I159 F160 L161 L193 I222 A223I159-S219 PolarHBondContact O-N 3.31Å; F160-S219 CarbonylContact C-O 3.41Å; F160-S219 WeakPolarHBondContact CA-O 3.27Å; L161-S219 PolarHBondContact N-O 2.92Å; L193-S219 WeakPolarHBondContact O-CA 3.42Å; S219-I222 WeakPolarHBondContact OG-CG2 3.42Å; S219-A223 VanDerWaalsContact OG-CB 3.23Å; S219-A223 WeakPolarHBondContact OG-CB 3.41Å
220T94.1Very high88.2Confident7 Ų739.6 Ų39.64%0.04326%0.255CS..  trans-81.2-170157.169.20000110.9L161 I167 L193 H194 I222 A223L161-T220 WeakPolarHBondContact O-CA 3.25Å; I167-T220 HydrophobicContact CD1-CG2 3.74Å; L193-T220 PolarHBondContact O-N 2.94Å; H194-T220 VanDerWaalsContact CD2-CG2 3.44Å; H194-T220 WeakPolarHBondContact CD2-CG2 3.45Å; T220-I222 PolarHBondContact O-N 3.18Å; T220-A223 PolarHBondContact O-N 3.23Å
221N91.5Very high88.2Confident70 Ų7037.8 Ų37.837%0.37424%0.241SC..G310 helixtrans-56.5-5.4171.968.8-42.7000115A223 E224 I241N221-A223 PolarHBondContact O-N 2.96Å; N221-E224 HydrophobicContact CB-CB 4.28Å; N221-E224 WeakPolarHBondContact O-CB 3.13Å; N221-E224 PolarHBondContact O-N 2.99Å; N221-I241 HydrophobicContact CB-CD1 3.92Å
222I89.9Confident88.7Confident23 Ų2331.6 Ų31.612%0.11820%0.198CC..G310 helixtrans-57.8-30.4172.3-169169.6000113.3L193 S219 T220 S226 I227L193-I222 HydrophobicContact CB-CG2 4.15Å; S219-I222 WeakPolarHBondContact OG-CG2 3.42Å; T220-I222 PolarHBondContact O-N 3.18Å; I222-S226 WeakPolarHBondContact O-CB 3.17Å; I222-S226 PolarHBondContact O-N 3.36Å; I222-I227 HydrophobicContact CD1-CD1 3.92Å; I222-I227 HydrophobicContact CG1-CD1 3.77Å; I222-I227 HydrophobicContact CG1-CG1 4.08Å; I222-I227 PolarHBondContact O-N 2.89Å
223A90.4Very high89.1Confident1 Ų128.9 Ų28.91%0.00817%0.167CC..G310 helixtrans-85.1-7.5173.100000114.1L158 F160 S219 T220 N221 R271L158-A223 HydrophobicContact CD1-CB 4.05Å; L158-A223 HydrophobicContact CD2-CB 4.12Å; F160-A223 HydrophobicContact CE1-CB 3.92Å; F160-A223 HydrophobicContact CZ-CB 4.05Å; S219-A223 VanDerWaalsContact OG-CB 3.23Å; S219-A223 WeakPolarHBondContact OG-CB 3.41Å; T220-A223 PolarHBondContact O-N 3.23Å; N221-A223 PolarHBondContact O-N 2.96Å; A223-R271 VanDerWaalsContact O-CD 3.24Å; A223-R271 WeakPolarHBondContact O-CD 3.42Å; A223-R271 PolarHBondContact O-NE 3.02Å; A223-R271 PolarHBondContact O-NH1 3.32Å
224E89.7Confident89.3Confident15 Ų1528.2 Ų28.27%0.0716%0.161CC..THydrogen-bonded Turntrans-75.9-33.6-178.7-169.2177.5133.600111.6F160 N221 S264 Q267 R268 R271F160-E224 HydrophobicContact CE1-CB 3.96Å; F160-E224 HydrophobicContact CZ-CB 4.34Å; N221-E224 HydrophobicContact CB-CB 4.28Å; N221-E224 WeakPolarHBondContact O-CB 3.13Å; N221-E224 PolarHBondContact O-N 2.99Å; E224-S264 WeakPolarHBondContact OE1-CB 3.49Å; E224-S264 PolarHBondContact OE1-OG 2.76Å; E224-Q267 HydrophobicContact CG-CB 3.91Å; E224-R268 HydrophobicContact CG-CG 3.95Å; E224-R268 IonicContact OE2-CZ 3.57Å; E224-R268 IonicContact OE2-NE 3.56Å; E224-R268 PolarHBondContact OE2-NE 2.93Å; E224-R268 IonicContact OE2-NH2 2.76Å; E224-R268 PolarHBondContact OE2-NH2 3.35Å; E224-R271 PolarHBondContact O-NE 3.42Å; E224-R271 VanDerWaalsContact O-NE 3.17Å; E224-R271 PolarHBondContact O-NH2 2.96Å
225T78.4Confident89.6Confident89 Ų8927.1 Ų27.155%0.54616%0.157SC..THydrogen-bonded Turntrans-126.2-59.7175.457.20000111.7I227 R271T225-I227 PolarHBondContact O-N 3.08Å; T225-R271 PolarHBondContact O-NH1 2.99Å; T225-R271 PolarHBondContact O-NH2 3.19Å
226S68.9Low89.7Confident93 Ų9327 Ų2765%0.6516%0.156SC*.THydrogen-bonded Turntrans-75.7-19.6-158.1-40.70000117.1I222I222-S226 WeakPolarHBondContact O-CB 3.17Å; I222-S226 PolarHBondContact O-N 3.36Å
227I76.2Confident89.8Confident15 Ų1527 Ų278%0.07716%0.156CC..  trans-122.5131.5-178.5-58.6179.7000110.4L193 M206 I222 T225 I229 R271L193-I227 HydrophobicContact CD1-CD1 4.42Å; L193-I227 HydrophobicContact CD2-CD1 4.28Å; M206-I227 HydrophobicContact CG-CG2 3.88Å; M206-I227 HydrophobicContact SD-CG2 3.9Å; I222-I227 HydrophobicContact CD1-CD1 3.92Å; I222-I227 HydrophobicContact CG1-CD1 3.77Å; I222-I227 HydrophobicContact CG1-CG1 4.08Å; I222-I227 PolarHBondContact O-N 2.89Å; T225-I227 PolarHBondContact O-N 3.08Å; I227-I229 HydrophobicContact CG2-CD1 4.06Å; I227-I229 HydrophobicContact CG2-CG1 3.72Å; I227-R271 PolarHBondContact O-NH1 3.11Å
228T76.8Confident89.9Confident71 Ų7127.1 Ų27.144%0.43616%0.157SC..  trans-100.8127.9173.155.80000109.8R274T228-R274 VanDerWaalsContact CG2-NH1 3.29Å
229I87Confident89.9Confident8 Ų827.1 Ų27.14%0.04116%0.157CC..  trans-135.6111.1179.6-46.1-176.5000107.4L193 M206 I217 I227 D231 V232L193-I229 HydrophobicContact CD1-CD1 3.85Å; M206-I229 HydrophobicContact CG-CG1 4.43Å; I217-I229 HydrophobicContact CD1-CD1 3.77Å; I217-I229 HydrophobicContact CD1-CG2 3.84Å; I217-I229 HydrophobicContact CG2-CD1 4.27Å; I227-I229 HydrophobicContact CG2-CD1 4.06Å; I227-I229 HydrophobicContact CG2-CG1 3.72Å; I229-D231 VanDerWaalsContact CG2-OD1 3.29Å; I229-D231 WeakPolarHBondContact CG2-OD1 3.38Å; I229-V232 HydrophobicContact CB-CG2 3.89Å; I229-V232 HydrophobicContact CG2-CG2 3.88Å
230D86.2Confident89.9Confident95 Ų9527.5 Ų27.551%0.50816%0.159SC..THydrogen-bonded Turntrans-91.2-13.1-158.9-53.4-36.5000113.4C275D230-C275 WeakPolarHBondContact O-CB 3.34Å
231D91Very high89.8Confident41 Ų4127.9 Ų27.922%0.21916%0.161CC..THydrogen-bonded Turntrans-923.6175.465.2-19.3000113.8A156 P208 K215 I229A156-D231 VanDerWaalsContact CB-O 3.27Å; A156-D231 WeakPolarHBondContact CB-O 3.46Å; A156-D231 PolarHBondContact N-O 3.1Å; P208-D231 WeakPolarHBondContact CA-OD2 3.3Å; K215-D231 WeakPolarHBondContact CD-OD2 3.18Å; K215-D231 VanDerWaalsContact NZ-CG 3.28Å; K215-D231 IonicContact NZ-OD1 2.64Å; K215-D231 PolarHBondContact NZ-OD1 3.47Å; K215-D231 IonicContact NZ-OD2 3.43Å; K215-D231 PolarHBondContact NZ-OD2 2.96Å; I229-D231 VanDerWaalsContact CG2-OD1 3.29Å; I229-D231 WeakPolarHBondContact CG2-OD1 3.38Å
232V94.1Very high89.8Confident4 Ų427.2 Ų27.22%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-71.4128.8175.2177.80000110.7A156 L158 I217 I229 V235A156-V232 HydrophobicContact CB-CG2 4.44Å; L158-V232 HydrophobicContact CB-CG1 3.73Å; L158-V232 HydrophobicContact CB-CG2 4.11Å; L158-V232 HydrophobicContact CD2-CG1 4.37Å; I217-V232 HydrophobicContact CD1-CG2 4.06Å; I229-V232 HydrophobicContact CB-CG2 3.89Å; I229-V232 HydrophobicContact CG2-CG2 3.88Å; V232-V235 HydrophobicContact CG1-CG2 3.99Å
233V94.9Very high89.7Confident13 Ų1327.4 Ų27.48%0.07916%0.155CC..EExtended strand (participates in β ladder)trans-128.6-28.3178.5-179.80000111A156 R276 G278 I279A156-V233 PolarHBondContact O-N 2.81Å; V233-R276 HydrophobicContact CG2-CG 3.87Å; V233-G278 CarbonylContact O-C 3.55Å; V233-G278 WeakPolarHBondContact O-CA 3.5Å; V233-I279 PolarHBondContact O-N 2.89Å
234F97.1Very high89.6Confident21 Ų2131 Ų319%0.09217%0.171CC..EExtended strand (participates in β ladder)trans-115.1129176.7-57.9-73.3000109.8I148 T152 E154 A156 V157 L158 I279 F281I148-F234 HydrophobicContact CG2-CB 4.31Å; I148-F234 HydrophobicContact CG2-CD1 4.11Å; I148-F234 HydrophobicContact CG2-CD2 3.75Å; I148-F234 HydrophobicContact CG2-CE1 4.47Å; I148-F234 HydrophobicContact CG2-CE2 4.14Å; I148-F234 HydrophobicContact CG2-CG 3.75Å; I148-F234 HydrophobicContact CG2-CZ 4.5Å; T152-F234 HydrophobicContact CG2-CE2 3.7Å; T152-F234 HydrophobicContact CG2-CZ 3.56Å; E154-F234 WeakPolarHBondContact O-CE2 3.26Å; A156-F234 PolarHBondContact O-N 3.49Å; A156-F234 VanDerWaalsContact O-N 3.09Å; V157-F234 CarbonylContact C-O 3.52Å; V157-F234 WeakPolarHBondContact CA-O 3.44Å; V157-F234 HydrophobicContact CB-CB 4.4Å; V157-F234 HydrophobicContact CG1-CB 4.16Å; V157-F234 HydrophobicContact CG2-CB 4.15Å; V157-F234 HydrophobicContact CG2-CD2 4.36Å; L158-F234 PolarHBondContact N-O 2.82Å; F234-I279 WeakPolarHBondContact CA-O 3.43Å; F234-I279 HydrophobicContact CD1-CB 4.11Å; F234-I279 HydrophobicContact CE1-CB 4.31Å; F234-I279 HydrophobicContact CE1-CD1 4.13Å; F234-I279 HydrophobicContact CE1-CG1 4.23Å; F234-F281 HydrophobicContact CD1-CE2 4.13Å
235V97.4Very high89.6Confident0 Ų031.3 Ų31.30%017%0.174CC..EExtended strand (participates in β ladder)trans-114131.3169.1173.20000108.6L158 F160 V232 D237 R271 A272 I279 C280 F281L158-V235 HydrophobicContact CB-CG2 4.32Å; L158-V235 HydrophobicContact CD2-CG2 4.44Å; L158-V235 CarbonylContact O-C 3.54Å; L158-V235 VanDerWaalsContact O-CA 3.28Å; L158-V235 WeakPolarHBondContact O-CA 3.2Å; F160-V235 HydrophobicContact CD2-CG1 3.75Å; F160-V235 HydrophobicContact CE2-CG1 3.84Å; V232-V235 HydrophobicContact CG1-CG2 3.99Å; V235-D237 HydrophobicContact CG1-CB 4.46Å; V235-R271 HydrophobicContact CG2-CB 4.04Å; V235-A272 HydrophobicContact CB-CB 4.36Å; V235-A272 HydrophobicContact CG2-CB 3.82Å; V235-I279 PolarHBondContact N-O 2.86Å; V235-C280 HydrophobicContact CB-CB 4.19Å; V235-C280 VanDerWaalsContact CG1-SG 3.52Å; V235-C280 WeakPolarHBondContact O-CA 3.44Å; V235-F281 PolarHBondContact O-N 3.21Å
236I98.4Very high90.1Very high0 Ų028.8 Ų28.80%016%0.155CC..EExtended strand (participates in β ladder)trans-112.9111169.8-58.2177.5000106.8I141 L144 L145 I148 V157 L158 I159 F160 F281 L283I141-I236 HydrophobicContact CG1-CG2 4.2Å; I141-I236 HydrophobicContact CG2-CG2 4.33Å; L144-I236 HydrophobicContact CD2-CD1 4.14Å; L144-I236 HydrophobicContact CD2-CG1 4.04Å; L144-I236 HydrophobicContact CD2-CG2 3.94Å; L144-I236 HydrophobicContact CG-CD1 4.14Å; L144-I236 HydrophobicContact CG-CG1 4.46Å; L145-I236 HydrophobicContact CB-CD1 4.23Å; L145-I236 HydrophobicContact CD1-CD1 4.48Å; I148-I236 HydrophobicContact CD1-CD1 3.85Å; I148-I236 HydrophobicContact CD1-CG1 4.09Å; V157-I236 HydrophobicContact CG1-CD1 3.84Å; V157-I236 HydrophobicContact CG1-CG1 4.06Å; L158-I236 PolarHBondContact O-N 3.48Å; I159-I236 CarbonylContact C-O 3.47Å; I159-I236 VanDerWaalsContact CA-O 3.3Å; I159-I236 WeakPolarHBondContact CA-O 3.19Å; I159-I236 HydrophobicContact CB-CB 4.43Å; I159-I236 HydrophobicContact CD1-CD1 4.01Å; I159-I236 HydrophobicContact CG1-CB 4.16Å; I159-I236 HydrophobicContact CG1-CD1 4.17Å; I159-I236 HydrophobicContact CG1-CG1 4.49Å; I159-I236 HydrophobicContact CG2-CB 4.14Å; I159-I236 HydrophobicContact CG2-CG2 4.2Å; F160-I236 PolarHBondContact N-O 3.2Å; I236-F281 HydrophobicContact CG1-CD2 4.49Å; I236-L283 HydrophobicContact CG2-CD1 3.72Å
237D97.9Very high91Very high0 Ų026.4 Ų26.40%014%0.136CC..EExtended strand (participates in β ladder)trans-108.5112-175.417629.4000111V235 G239 I260 R268 F281 H282 L283V235-D237 HydrophobicContact CG1-CB 4.46Å; D237-G239 PolarHBondContact O-N 3.03Å; D237-G239 VanDerWaalsContact O-N 3.16Å; D237-G239 PolarHBondContact OD1-N 3.48Å; D237-I260 WeakPolarHBondContact OD2-CD1 3.36Å; D237-R268 VanDerWaalsContact CG-CD 3.47Å; D237-R268 WeakPolarHBondContact OD1-CD 3.32Å; D237-R268 IonicContact OD1-CZ 3.78Å; D237-R268 IonicContact OD1-NE 2.72Å; D237-R268 IonicContact OD1-NH1 3.45Å; D237-R268 PolarHBondContact OD1-NH1 3.27Å; D237-F281 PolarHBondContact N-O 3.01Å; D237-H282 IonicContact OD2-CE1 3.08Å; D237-H282 IonicContact OD2-ND1 3.43Å; D237-H282 PolarHBondContact OD2-ND1 3.42Å; D237-L283 PolarHBondContact O-N 2.86Å
238S97Very high91.4Very high3 Ų326.8 Ų26.82%0.02114%0.139CC..  trans-66.2-8.1173.661.50000114F160 K240F160-S238 VanDerWaalsContact O-CB 3.27Å; F160-S238 WeakPolarHBondContact O-CB 3.21Å; F160-S238 PolarHBondContact O-N 2.98Å; F160-S238 PolarHBondContact O-OG 3.4Å; S238-K240 PolarHBondContact O-N 2.95Å
239G95.7Very high91.7Very high0 Ų029.5 Ų29.50%015%0.15CC..SBendtrans69.76.2-17800000114.5D237 W259 I260D237-G239 PolarHBondContact O-N 3.03Å; D237-G239 VanDerWaalsContact O-N 3.16Å; D237-G239 PolarHBondContact OD1-N 3.48Å; G239-W259 WeakPolarHBondContact O-CA 3.33Å; G239-I260 WeakPolarHBondContact O-CG1 3.39Å; G239-I260 PolarHBondContact O-N 3.38Å
240K94.8Very high91.4Very high9 Ų930 Ų304%0.03915%0.154CC..EExtended strand (participates in β ladder)trans-121.3158.7-171.9-63.7179.3-163.9-173.80112.7D133 R135 V136 P162 S238 T257 V258 W259 R268D133-K240 PolarHBondContact O-NZ 3.22Å; R135-K240 PolarHBondContact O-NZ 3.17Å; V136-K240 HydrophobicContact CG2-CB 4.49Å; V136-K240 HydrophobicContact CG2-CD 4.13Å; P162-K240 HydrophobicContact CB-CB 4.11Å; P162-K240 HydrophobicContact CG-CB 4.43Å; S238-K240 PolarHBondContact O-N 2.95Å; K240-T257 HydrophobicContact CB-CG2 4.03Å; K240-T257 HydrophobicContact CD-CG2 4.22Å; K240-V258 VanDerWaalsContact CA-O 3.28Å; K240-V258 WeakPolarHBondContact CA-O 3.39Å; K240-W259 HydrophobicContact CD-CH2 4.48Å; K240-W259 HydrophobicContact CD-CZ3 4.5Å; K240-W259 VanDerWaalsContact CE-CZ3 3.46Å; K240-W259 HydrophobicContact CG-CD2 4.29Å; K240-W259 HydrophobicContact CG-CE3 3.97Å; K240-W259 HydrophobicContact CG-CZ3 4.08Å; K240-R268 PolarHBondContact O-NH1 3.3Å
241I93.3Very high91.3Very high14 Ų1427.1 Ų27.17%0.07214%0.136CC..EExtended strand (participates in β ladder)trans-148.2144.2178.4-171.4171.6000109.3N221 T257 V258 I260N221-I241 HydrophobicContact CB-CD1 3.92Å; I241-T257 CarbonylContact O-C 3.55Å; I241-T257 WeakPolarHBondContact O-CA 3.19Å; I241-V258 HydrophobicContact CG2-CG2 3.64Å; I241-V258 PolarHBondContact N-O 2.98Å; I241-V258 PolarHBondContact O-N 2.95Å; I241-I260 HydrophobicContact CB-CG2 3.94Å; I241-I260 HydrophobicContact CG2-CG2 3.86Å
242K89.9Confident91.1Very high56 Ų5625.1 Ų25.124%0.24313%0.125CC..EExtended strand (participates in β ladder)trans-85.4106.6164.5-79.5167.7-175.1165.70109.4P162 E166 L255 K256 T257P162-K242 HydrophobicContact CB-CG 4.27Å; P162-K242 VanDerWaalsContact O-CB 3.3Å; P162-K242 WeakPolarHBondContact O-CB 3.49Å; P162-K242 WeakPolarHBondContact O-CG 3.37Å; P162-K242 PolarHBondContact O-N 2.97Å; P162-K242 VanDerWaalsContact O-N 3.16Å; E166-K242 WeakPolarHBondContact OE1-CE 3.36Å; E166-K242 IonicContact OE1-NZ 2.7Å; E166-K242 PolarHBondContact OE1-NZ 2.93Å; E166-K242 IonicContact OE2-NZ 2.3Å; E166-K242 PolarHBondContact OE2-NZ 2.99Å; K242-L255 HydrophobicContact CB-CD1 4.02Å; K242-L255 HydrophobicContact CB-CG 4.19Å; K242-K256 CarbonylContact C-O 3.58Å; K242-K256 WeakPolarHBondContact CA-O 3.43Å; K242-T257 WeakPolarHBondContact CE-OG1 3.31Å
243E88.1Confident90.9Very high27 Ų2725.4 Ų25.413%0.12613%0.128CC..EExtended strand (participates in β ladder)trans-98.5135179.6-178.1169.6-107.500111.5L255 K256 V258 Q296 R302E243-L255 WeakPolarHBondContact O-CA 3.39Å; E243-K256 PolarHBondContact N-O 3.42Å; E243-K256 PolarHBondContact O-N 3.2Å; E243-V258 HydrophobicContact CB-CG2 3.79Å; E243-Q296 WeakPolarHBondContact OE1-CG 3.49Å; E243-Q296 PolarHBondContact OE1-NE2 3.26Å; E243-R302 IonicContact OE1-CZ 2.7Å; E243-R302 IonicContact OE1-NE 3.38Å; E243-R302 PolarHBondContact OE1-NE 3.29Å; E243-R302 IonicContact OE1-NH1 2.75Å; E243-R302 IonicContact OE1-NH2 2.76Å; E243-R302 PolarHBondContact OE1-NH2 3.2Å
244K88.1Confident90.4Very high78 Ų7826.5 Ų26.534%0.33913%0.132SC..EExtended strand (participates in β ladder)trans-83.4126.9167.8-179.9167.6166.7169.80109.8S253 M254 L255 R302 M303 E567K244-S253 WeakPolarHBondContact CE-OG 3.49Å; K244-M254 WeakPolarHBondContact CA-O 3.49Å; K244-L255 HydrophobicContact CB-CD1 4.44Å; K244-R302 PolarHBondContact O-NH1 3Å; K244-M303 HydrophobicContact CD-CE 4.45Å; K244-M303 HydrophobicContact CG-SD 4.38Å; K244-E567 WeakPolarHBondContact CE-OE1 3.07Å; K244-E567 IonicContact NZ-OE1 3.69Å; K244-E567 PolarHBondContact NZ-OE1 2.55Å
245S90.1Very high89.9Confident20 Ų2030.2 Ų30.214%0.1415%0.152CC..EExtended strand (participates in β ladder)trans-134.8142.4173.6530000109.5M254 R302S245-M254 PolarHBondContact N-O 2.93Å; S245-M254 PolarHBondContact O-N 3.25Å; S245-R302 CarbonylContact C-O 3.55Å; S245-R302 WeakPolarHBondContact CA-O 3.35Å
246F89.3Confident89.3Confident36 Ų3634.6 Ų34.616%0.15817%0.171CC..EExtended strand (participates in β ladder)trans-101.7124.4-178.9-176.6-111.8000111.1T248 R251 R302 P304F246-T248 HydrophobicContact CD1-CG2 4.14Å; F246-T248 HydrophobicContact CE1-CG2 4.48Å; F246-T248 PolarHBondContact O-N 2.88Å; F246-R251 HydrophobicContact CE2-CB 4.4Å; F246-R251 HydrophobicContact CZ-CB 3.96Å; F246-R251 HydrophobicContact CZ-CG 4.19Å; F246-R302 PolarHBondContact N-O 3.35Å; F246-P304 HydrophobicContact CB-CG 4.27Å; F246-P304 HydrophobicContact CD1-CB 4.36Å; F246-P304 HydrophobicContact CD1-CG 4.19Å; F246-P304 HydrophobicContact CD2-CG 3.88Å; F246-P304 HydrophobicContact CE1-CB 4.38Å; F246-P304 HydrophobicContact CE1-CG 4.49Å; F246-P304 HydrophobicContact CE2-CG 4.2Å; F246-P304 HydrophobicContact CG-CG 3.87Å; F246-P304 HydrophobicContact CZ-CG 4.48Å
247D87.6Confident88.8Confident44 Ų4437.3 Ų37.324%0.23519%0.188CC..EExtended strand (participates in β ladder)trans-81.7111.7167.6173.40000109.1L249 S250 R251 V252D247-L249 VanDerWaalsContact C-N 3.3Å; D247-L249 PolarHBondContact O-N 2.92Å; D247-L249 WeakPolarHBondContact OD1-CB 3.49Å; D247-L249 PolarHBondContact OD1-N 3Å; D247-S250 PolarHBondContact OD1-N 3.11Å; D247-S250 WeakPolarHBondContact OD2-CB 3.04Å; D247-S250 PolarHBondContact OD2-OG 2.93Å; D247-R251 WeakPolarHBondContact O-CA 3.46Å; D247-R251 PolarHBondContact O-N 3.49Å; D247-V252 PolarHBondContact N-O 2.85Å; D247-V252 PolarHBondContact O-N 2.86Å
248T85.3Confident88.5Confident23 Ų2339.5 Ų39.514%0.14120%0.201CC..THydrogen-bonded Turntrans-69.4-22.4-176.351.10000114F246 H336 A337 S340F246-T248 HydrophobicContact CD1-CG2 4.14Å; F246-T248 HydrophobicContact CE1-CG2 4.48Å; F246-T248 PolarHBondContact O-N 2.88Å; T248-H336 PolarHBondContact OG1-CD2 3.22Å; T248-H336 PolarHBondContact OG1-NE2 2.66Å; T248-A337 HydrophobicContact CG2-CB 3.6Å; T248-S340 PolarHBondContact O-OG 3.05Å
249L82.1Confident88.4Confident127 Ų12742.3 Ų42.367%0.66521%0.211SC*.THydrogen-bonded Turntrans-87.7-53.9-178.3-62175.6000110.7D247 R251 R529D247-L249 VanDerWaalsContact C-N 3.3Å; D247-L249 PolarHBondContact O-N 2.92Å; D247-L249 WeakPolarHBondContact OD1-CB 3.49Å; D247-L249 PolarHBondContact OD1-N 3Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.14Å; L249-R529 PolarHBondContact O-NH1 3.07Å
250S81.8Confident88.4Confident18 Ų1842.6 Ų42.613%0.12621%0.213CC..THydrogen-bonded Turntrans-76-18.2175.667.10000113.2D247 V252 R529D247-S250 PolarHBondContact OD1-N 3.11Å; D247-S250 WeakPolarHBondContact OD2-CB 3.04Å; D247-S250 PolarHBondContact OD2-OG 2.93Å; S250-V252 WeakPolarHBondContact OG-CB 3.42Å; S250-V252 WeakPolarHBondContact OG-CG2 3.5Å; S250-R529 WeakPolarHBondContact O-CD 3.39Å
251R84Confident88.4Confident35 Ų3542.5 Ų42.513%0.13221%0.213CC..THydrogen-bonded Turntrans61.139.3-169.4-64-176.9168.9178.9-3.3112.9F246 D247 L249 S340 H343F246-R251 HydrophobicContact CE2-CB 4.4Å; F246-R251 HydrophobicContact CZ-CB 3.96Å; F246-R251 HydrophobicContact CZ-CG 4.19Å; D247-R251 WeakPolarHBondContact O-CA 3.46Å; D247-R251 PolarHBondContact O-N 3.49Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.14Å; R251-S340 PolarHBondContact NH2-O 3.16Å; R251-H343 PolarHBondContact NH2-CD2 3.36Å
252V86.2Confident88.6Confident0 Ų043.9 Ų43.90%022%0.219CC..EExtended strand (participates in β ladder)trans-115.2130.5-176.4-178.90000111.4D247 S250 M254 M568 R570D247-V252 PolarHBondContact N-O 2.85Å; D247-V252 PolarHBondContact O-N 2.86Å; S250-V252 WeakPolarHBondContact OG-CB 3.42Å; S250-V252 WeakPolarHBondContact OG-CG2 3.5Å; V252-M254 PolarHBondContact O-N 3.5Å; V252-M568 HydrophobicContact CG1-CG 4.24Å; V252-M568 HydrophobicContact CG2-CB 4.4Å; V252-M568 HydrophobicContact CG2-CG 4Å; V252-M568 HydrophobicContact CG2-SD 3.7Å; V252-R570 HydrophobicContact CG1-CB 3.58Å
253S89Confident88.8Confident10 Ų1042.5 Ų42.57%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-70.9117.2168.5-71.10000110.4K244 E567 M568 S569 R570K244-S253 WeakPolarHBondContact CE-OG 3.49Å; S253-E567 WeakPolarHBondContact CB-OE1 3.21Å; S253-E567 PolarHBondContact OG-OE1 3.23Å; S253-M568 PolarHBondContact N-O 2.91Å; S253-S569 CarbonylContact O-C 3.49Å; S253-S569 WeakPolarHBondContact O-CA 3.38Å; S253-R570 PolarHBondContact O-N 3.28Å
254M86.1Confident89.1Confident35 Ų3541.8 Ų41.817%0.17222%0.216CC..EExtended strand (participates in β ladder)trans-93.3134.7170-54.4-168.478.300110.2K244 S245 V252 K256 R570K244-M254 WeakPolarHBondContact CA-O 3.49Å; S245-M254 PolarHBondContact N-O 2.93Å; S245-M254 PolarHBondContact O-N 3.25Å; V252-M254 PolarHBondContact O-N 3.5Å; M254-K256 HydrophobicContact CB-CG 4.23Å; M254-K256 VanDerWaalsContact CE-CE 3.44Å; M254-K256 WeakPolarHBondContact SD-CE 3.45Å; M254-R570 WeakPolarHBondContact CA-O 3.04Å; M254-R570 HydrophobicContact CE-CG 4.2Å
255L85.2Confident89.5Confident99 Ų9938.4 Ų38.452%0.51820%0.202SC..EExtended strand (participates in β ladder)trans-111.997.3170-17467.1000108.6K242 E243 K244 R570K242-L255 HydrophobicContact CB-CD1 4.02Å; K242-L255 HydrophobicContact CB-CG 4.19Å; E243-L255 WeakPolarHBondContact O-CA 3.39Å; K244-L255 HydrophobicContact CB-CD1 4.44Å; L255-R570 PolarHBondContact N-O 3.16Å
256K85Confident89.6Confident92 Ų9240.4 Ų40.440%0.421%0.211SC..EExtended strand (participates in β ladder)trans-103.4133.9-173-64.4176-175.8166.90110.3K242 E243 M254 V258K242-K256 CarbonylContact C-O 3.58Å; K242-K256 WeakPolarHBondContact CA-O 3.43Å; E243-K256 PolarHBondContact N-O 3.42Å; E243-K256 PolarHBondContact O-N 3.2Å; M254-K256 HydrophobicContact CB-CG 4.23Å; M254-K256 VanDerWaalsContact CE-CE 3.44Å; M254-K256 WeakPolarHBondContact SD-CE 3.45Å; K256-V258 HydrophobicContact CB-CG1 3.87Å; K256-V258 PolarHBondContact O-N 2.76Å
257T89.1Confident89.8Confident57 Ų5743.5 Ų43.535%0.3523%0.226SC..EExtended strand (participates in β ladder)trans-71.9117.4160.9-56.40000107.7P162 K240 I241 K242P162-T257 HydrophobicContact CB-CG2 4.01Å; P162-T257 HydrophobicContact CG-CG2 4.29Å; K240-T257 HydrophobicContact CB-CG2 4.03Å; K240-T257 HydrophobicContact CD-CG2 4.22Å; I241-T257 CarbonylContact O-C 3.55Å; I241-T257 WeakPolarHBondContact O-CA 3.19Å; K242-T257 WeakPolarHBondContact CE-OG1 3.31Å
258V91.3Very high90.2Very high46 Ų4641.5 Ų41.528%0.27922%0.215SC..EExtended strand (participates in β ladder)trans-126162.6179.3-61.40000110.5K240 I241 E243 K256K240-V258 VanDerWaalsContact CA-O 3.28Å; K240-V258 WeakPolarHBondContact CA-O 3.39Å; I241-V258 HydrophobicContact CG2-CG2 3.64Å; I241-V258 PolarHBondContact N-O 2.98Å; I241-V258 PolarHBondContact O-N 2.95Å; E243-V258 HydrophobicContact CB-CG2 3.79Å; K256-V258 HydrophobicContact CB-CG1 3.87Å; K256-V258 PolarHBondContact O-N 2.76Å
259W94.6Very high90.6Very high62 Ų6244.3 Ų44.324%0.23523%0.225CC..EExtended strand (participates in β ladder)trans-67.9146167.3-71104.4000110.6D133 G239 K240 F284 R288 M292D133-W259 VanDerWaalsContact OD1-CZ2 3.29Å; D133-W259 WeakPolarHBondContact OD1-CZ2 3.44Å; D133-W259 WeakPolarHBondContact OD2-CZ2 3.4Å; G239-W259 WeakPolarHBondContact O-CA 3.33Å; K240-W259 HydrophobicContact CD-CH2 4.48Å; K240-W259 HydrophobicContact CD-CZ3 4.5Å; K240-W259 VanDerWaalsContact CE-CZ3 3.46Å; K240-W259 HydrophobicContact CG-CD2 4.29Å; K240-W259 HydrophobicContact CG-CE3 3.97Å; K240-W259 HydrophobicContact CG-CZ3 4.08Å; W259-F284 HydrophobicContact CH2-CB 3.98Å; W259-F284 HydrophobicContact CZ3-CB 3.74Å; W259-F284 AromaticContact CZ3-CD1 3.95Å; W259-F284 HydrophobicContact CZ3-CD1 3.95Å; W259-F284 HydrophobicContact CZ3-CG 4.16Å; W259-R288 HydrophobicContact CD2-CG 4.2Å; W259-R288 HydrophobicContact CE3-CG 4.21Å; W259-R288 HydrophobicContact CH2-CG 4.08Å; W259-R288 HydrophobicContact CZ2-CG 4.05Å; W259-R288 HydrophobicContact CZ3-CG 4.18Å; W259-M292 HydrophobicContact CD2-CE 4.42Å; W259-M292 HydrophobicContact CE3-CE 3.68Å; W259-M292 HydrophobicContact CZ3-CE 4.23Å
260I95.7Very high91Very high6 Ų640.2 Ų40.23%0.03121%0.214CC..PPolyproline II helixtrans-75.9165173.167.8-176.3000111.6D237 G239 I241 V265 M292D237-I260 WeakPolarHBondContact OD2-CD1 3.36Å; G239-I260 WeakPolarHBondContact O-CG1 3.39Å; G239-I260 PolarHBondContact O-N 3.38Å; I241-I260 HydrophobicContact CB-CG2 3.94Å; I241-I260 HydrophobicContact CG2-CG2 3.86Å; I260-V265 HydrophobicContact CD1-CG2 3.78Å; I260-V265 HydrophobicContact CG1-CG2 3.87Å; I260-M292 VanDerWaalsContact O-SD 3.42Å
261S95.7Very high91.5Very high7 Ų740.2 Ų40.25%0.04921%0.211CC..PPolyproline II helixtrans-81.516117265.80000111.9A263 S264 V265 Q293 E294S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact O-N 2.9Å; S261-S264 WeakPolarHBondContact O-CA 3.28Å; S261-S264 WeakPolarHBondContact O-CB 3.49Å; S261-S264 PolarHBondContact O-N 2.92Å; S261-S264 PolarHBondContact OG-N 3.22Å; S261-V265 WeakPolarHBondContact O-CG2 3.32Å; S261-V265 PolarHBondContact O-N 2.74Å; S261-Q293 CarbonylContact C-O 3.59Å; S261-Q293 WeakPolarHBondContact CA-O 3.47Å; S261-Q293 VanDerWaalsContact CB-O 3.27Å; S261-Q293 WeakPolarHBondContact CB-O 3.21Å; S261-E294 WeakPolarHBondContact CB-O 3.24Å
262K95.8Very high91.9Very high43 Ų4338.6 Ų38.619%0.18721%0.205CC..Hα-helixtrans-60.3-36.4175.5-56.7-170-143.8151.50112S264 V265 L266 F289 M292 Q293 E294K262-S264 VanDerWaalsContact C-N 3.3Å; K262-S264 PolarHBondContact O-N 3.29Å; K262-V265 VanDerWaalsContact O-CB 3.31Å; K262-V265 WeakPolarHBondContact O-CB 3.26Å; K262-V265 PolarHBondContact O-N 2.91Å; K262-V265 VanDerWaalsContact O-N 3.1Å; K262-L266 WeakPolarHBondContact O-CG 3.37Å; K262-L266 PolarHBondContact O-N 3.48Å; K262-F289 HydrophobicContact CB-CE2 3.89Å; K262-F289 HydrophobicContact CB-CZ 4.17Å; K262-F289 HydrophobicContact CD-CE1 4.22Å; K262-F289 HydrophobicContact CD-CE2 4.04Å; K262-F289 HydrophobicContact CD-CZ 3.82Å; K262-F289 HydrophobicContact CG-CD2 4.23Å; K262-F289 HydrophobicContact CG-CE2 3.7Å; K262-F289 HydrophobicContact CG-CZ 3.99Å; K262-M292 VanDerWaalsContact CE-O 3.25Å; K262-M292 WeakPolarHBondContact CE-O 3.37Å; K262-M292 HydrophobicContact CG-CB 3.94Å; K262-Q293 PolarHBondContact N-O 3.29Å; K262-E294 VanDerWaalsContact CB-OE1 3.25Å; K262-E294 WeakPolarHBondContact CB-OE1 3.35Å; K262-E294 WeakPolarHBondContact CD-OE1 3.13Å; K262-E294 WeakPolarHBondContact CE-OE2 3.35Å; K262-E294 PolarHBondContact N-O 2.82Å; K262-E294 IonicContact NZ-OE1 3.89Å; K262-E294 IonicContact NZ-OE2 3.52Å; K262-E294 PolarHBondContact NZ-OE2 2.76Å
263A94.2Very high91.9Very high28 Ų2841 Ų4123%0.23123%0.23CC..Hα-helixtrans-57.5-40.717100000112.6S261 L266 Q267 E294 F295S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact O-N 2.9Å; A263-L266 PolarHBondContact O-N 2.84Å; A263-Q267 WeakPolarHBondContact O-CG 3.42Å; A263-Q267 PolarHBondContact O-N 2.93Å; A263-E294 VanDerWaalsContact CB-O 3.3Å; A263-E294 WeakPolarHBondContact CB-O 3.42Å; A263-E294 PolarHBondContact N-O 3.21Å; A263-F295 HydrophobicContact CB-CD1 3.73Å; A263-F295 HydrophobicContact CB-CE1 4Å
264S95.4Very high91.6Very high11 Ų1145.5 Ų45.58%0.07725%0.245CC..Hα-helixtrans-67.1-38.6172.8-78.50000112.7E224 S261 K262 L266 Q267 R268E224-S264 WeakPolarHBondContact OE1-CB 3.49Å; E224-S264 PolarHBondContact OE1-OG 2.76Å; S261-S264 WeakPolarHBondContact O-CA 3.28Å; S261-S264 WeakPolarHBondContact O-CB 3.49Å; S261-S264 PolarHBondContact O-N 2.92Å; S261-S264 PolarHBondContact OG-N 3.22Å; K262-S264 VanDerWaalsContact C-N 3.3Å; K262-S264 PolarHBondContact O-N 3.29Å; S264-L266 VanDerWaalsContact C-N 3.3Å; S264-L266 PolarHBondContact O-N 2.97Å; S264-Q267 PolarHBondContact O-N 3.23Å; S264-R268 VanDerWaalsContact O-CG 3.31Å; S264-R268 WeakPolarHBondContact O-CG 3.39Å; S264-R268 PolarHBondContact O-N 2.87Å
265V96.1Very high91.4Very high8 Ų847.9 Ų47.95%0.04826%0.264CS..Hα-helixtrans-55.6-47172.51780000110.4I260 S261 K262 R268 K269 H282 F284 F289 M292I260-V265 HydrophobicContact CD1-CG2 3.78Å; I260-V265 HydrophobicContact CG1-CG2 3.87Å; S261-V265 WeakPolarHBondContact O-CG2 3.32Å; S261-V265 PolarHBondContact O-N 2.74Å; K262-V265 VanDerWaalsContact O-CB 3.31Å; K262-V265 WeakPolarHBondContact O-CB 3.26Å; K262-V265 PolarHBondContact O-N 2.91Å; K262-V265 VanDerWaalsContact O-N 3.1Å; V265-R268 PolarHBondContact O-N 3.15Å; V265-K269 WeakPolarHBondContact O-CB 3.27Å; V265-K269 PolarHBondContact O-N 3.04Å; V265-H282 VanDerWaalsContact CG1-CE1 3.41Å; V265-H282 WeakPolarHBondContact CG1-CE1 3.34Å; V265-F284 HydrophobicContact CB-CZ 4.49Å; V265-F284 HydrophobicContact CG1-CZ 3.99Å; V265-F284 HydrophobicContact CG2-CE1 4.46Å; V265-F284 HydrophobicContact CG2-CE2 4.3Å; V265-F284 HydrophobicContact CG2-CZ 3.61Å; V265-F289 HydrophobicContact CB-CE2 4.09Å; V265-F289 HydrophobicContact CG1-CD2 4.31Å; V265-F289 HydrophobicContact CG1-CE2 3.91Å; V265-F289 HydrophobicContact CG2-CD2 4.18Å; V265-F289 HydrophobicContact CG2-CE2 4.09Å; V265-M292 HydrophobicContact CG2-SD 3.84Å
266L92.9Very high91.5Very high62 Ų6249 Ų4933%0.32526%0.262SS..Hα-helixtrans-65.8-41.4178.2-66.9172.7000112.4V109 K262 A263 S264 R268 K269 G270V109-L266 HydrophobicContact CG2-CD2 4.05Å; K262-L266 WeakPolarHBondContact O-CG 3.37Å; K262-L266 PolarHBondContact O-N 3.48Å; A263-L266 PolarHBondContact O-N 2.84Å; S264-L266 VanDerWaalsContact C-N 3.3Å; S264-L266 PolarHBondContact O-N 2.97Å; L266-R268 PolarHBondContact O-N 3.12Å; L266-K269 PolarHBondContact O-N 3.09Å; L266-G270 PolarHBondContact O-N 3.36Å
267Q93.3Very high91.9Very high100 Ų10050.5 Ų50.547%0.46728%0.281SS..Hα-helixtrans-62.3-39.6174.3-72.6-67.2-25.900112.4E224 A263 S264 G270E224-Q267 HydrophobicContact CG-CB 3.91Å; A263-Q267 WeakPolarHBondContact O-CG 3.42Å; A263-Q267 PolarHBondContact O-N 2.93Å; S264-Q267 PolarHBondContact O-N 3.23Å; Q267-G270 PolarHBondContact O-N 2.87Å
268R95.1Very high92.1Very high2 Ų249.3 Ų49.31%0.00828%0.28CS..Hα-helixtrans-68.3-44.8176-68.8179.1-174.1-166.4-0.6111.7F160 E224 D237 K240 S264 V265 L266 G270 R271F160-R268 HydrophobicContact CD1-CG 4.39Å; F160-R268 HydrophobicContact CD2-CB 4.14Å; F160-R268 HydrophobicContact CD2-CG 3.82Å; F160-R268 HydrophobicContact CE1-CG 4.27Å; F160-R268 HydrophobicContact CE2-CB 3.92Å; F160-R268 HydrophobicContact CE2-CG 3.69Å; F160-R268 HydrophobicContact CG-CG 4.18Å; F160-R268 HydrophobicContact CZ-CG 3.93Å; E224-R268 HydrophobicContact CG-CG 3.95Å; E224-R268 IonicContact OE2-CZ 3.57Å; E224-R268 IonicContact OE2-NE 3.56Å; E224-R268 PolarHBondContact OE2-NE 2.93Å; E224-R268 IonicContact OE2-NH2 2.76Å; E224-R268 PolarHBondContact OE2-NH2 3.35Å; D237-R268 VanDerWaalsContact CG-CD 3.47Å; D237-R268 WeakPolarHBondContact OD1-CD 3.32Å; D237-R268 IonicContact OD1-CZ 3.78Å; D237-R268 IonicContact OD1-NE 2.72Å; D237-R268 IonicContact OD1-NH1 3.45Å; D237-R268 PolarHBondContact OD1-NH1 3.27Å; K240-R268 PolarHBondContact O-NH1 3.3Å; S264-R268 VanDerWaalsContact O-CG 3.31Å; S264-R268 WeakPolarHBondContact O-CG 3.39Å; S264-R268 PolarHBondContact O-N 2.87Å; V265-R268 PolarHBondContact O-N 3.15Å; L266-R268 PolarHBondContact O-N 3.12Å; R268-G270 VanDerWaalsContact C-N 3.26Å; R268-G270 PolarHBondContact O-N 3.25Å; R268-R271 WeakPolarHBondContact O-CB 3.39Å; R268-R271 PolarHBondContact O-N 3.15Å
269K93.9Very high92.3Very high82 Ų8251.3 Ų51.336%0.35729%0.288SS..Hα-helixtrans-53.2-44170.8177.5-176.5175.2-179.30111.5L108 V265 L266 R271 A272 C280L108-K269 PolarHBondContact O-NZ 3.19Å; V265-K269 WeakPolarHBondContact O-CB 3.27Å; V265-K269 PolarHBondContact O-N 3.04Å; L266-K269 PolarHBondContact O-N 3.09Å; K269-R271 PolarHBondContact O-N 3.45Å; K269-R271 VanDerWaalsContact O-N 3.09Å; K269-A272 PolarHBondContact O-N 2.94Å; K269-C280 HydrophobicContact CB-CB 4.25Å; K269-C280 HydrophobicContact CG-CB 4.3Å
270G91.3Very high92.4Very high41 Ų4149.7 Ų49.742%0.42329%0.286SS..THydrogen-bonded Turntrans-63.4-7.6176.300000115.8L266 Q267 R268 R274L266-G270 PolarHBondContact O-N 3.36Å; Q267-G270 PolarHBondContact O-N 2.87Å; R268-G270 VanDerWaalsContact C-N 3.26Å; R268-G270 PolarHBondContact O-N 3.25Å; G270-R274 WeakPolarHBondContact O-CG 3.39Å
271R92.1Very high92.5Very high18 Ų1852.2 Ų52.27%0.06830%0.297CS..THydrogen-bonded Turntrans-84.5-23.2173.9-60.1-70.7155.1164.5-10.5113.3L158 F160 A223 E224 T225 I227 V235 R268 K269L158-R271 HydrophobicContact CD2-CB 4.08Å; L158-R271 HydrophobicContact CD2-CG 4.49Å; F160-R271 HydrophobicContact CZ-CG 4.32Å; A223-R271 VanDerWaalsContact O-CD 3.24Å; A223-R271 WeakPolarHBondContact O-CD 3.42Å; A223-R271 PolarHBondContact O-NE 3.02Å; A223-R271 PolarHBondContact O-NH1 3.32Å; E224-R271 PolarHBondContact O-NE 3.42Å; E224-R271 VanDerWaalsContact O-NE 3.17Å; E224-R271 PolarHBondContact O-NH2 2.96Å; T225-R271 PolarHBondContact O-NH1 2.99Å; T225-R271 PolarHBondContact O-NH2 3.19Å; I227-R271 PolarHBondContact O-NH1 3.11Å; V235-R271 HydrophobicContact CG2-CB 4.04Å; R268-R271 WeakPolarHBondContact O-CB 3.39Å; R268-R271 PolarHBondContact O-N 3.15Å; K269-R271 PolarHBondContact O-N 3.45Å; K269-R271 VanDerWaalsContact O-N 3.09Å
272A91.9Very high92.5Very high2 Ų254.5 Ų54.52%0.01731%0.307CS..THydrogen-bonded Turntrans-79.9-33.3177.500000113.5V235 K269V235-A272 HydrophobicContact CB-CB 4.36Å; V235-A272 HydrophobicContact CG2-CB 3.82Å; K269-A272 PolarHBondContact O-N 2.94Å
273G86Confident92.5Very high50 Ų5054 Ų5452%0.51531%0.306SS..SBendtrans-95.522.6-170.500000115.9R276G273-R276 CarbonylContact C-O 3.57Å
274R83Confident92.4Very high104 Ų10453.9 Ų53.939%0.39230%0.3SS..SBendtrans-75.8-47.9-167.6-73.9-176146.2-119.5-7.6114.7T228 G270T228-R274 VanDerWaalsContact CG2-NH1 3.29Å; G270-R274 WeakPolarHBondContact O-CG 3.39Å
275C82.3Confident92Very high85 Ų8554.1 Ų54.157%0.57430%0.302SS*.SBendtrans-119.9-10.6-171.8-61.30000113.4D230D230-C275 WeakPolarHBondContact O-CB 3.34Å
276R87.9Confident91.5Very high123 Ų12359.7 Ų59.746%0.46432%0.322SS..SBendtrans-160.7168.817363.6175.483.3-177.53.2108.7E154 V233 G273E154-R276 IonicContact OE2-CZ 3.7Å; E154-R276 IonicContact OE2-NH1 2.7Å; E154-R276 PolarHBondContact OE2-NH1 3.39Å; E154-R276 IonicContact OE2-NH2 3.79Å; V233-R276 HydrophobicContact CG2-CG 3.87Å; G273-R276 CarbonylContact C-O 3.57Å
277P91.8Very high91.1Very high123 Ų12362.7 Ų62.780%0.79934%0.338SS*.  trans-56.3139.3168.8-24.235.2000111.4
278G93.3Very high90.9Very high33 Ų3361.7 Ų61.734%0.3433%0.33SS..  trans-150.8167.2-176.400000112V233V233-G278 CarbonylContact O-C 3.55Å; V233-G278 WeakPolarHBondContact O-CA 3.5Å
279I95.4Very high90.6Very high88 Ų8863.9 Ų63.945%0.45134%0.339SS..EExtended strand (participates in β ladder)trans-117.5133.6-172.7-51.7-177.8000109.8V233 F234 V235 F281V233-I279 PolarHBondContact O-N 2.89Å; F234-I279 WeakPolarHBondContact CA-O 3.43Å; F234-I279 HydrophobicContact CD1-CB 4.11Å; F234-I279 HydrophobicContact CE1-CB 4.31Å; F234-I279 HydrophobicContact CE1-CD1 4.13Å; F234-I279 HydrophobicContact CE1-CG1 4.23Å; V235-I279 PolarHBondContact N-O 2.86Å; I279-F281 HydrophobicContact CB-CE2 4.12Å; I279-F281 HydrophobicContact CB-CZ 4.3Å; I279-F281 HydrophobicContact CG2-CD1 4.37Å; I279-F281 HydrophobicContact CG2-CD2 4.14Å; I279-F281 HydrophobicContact CG2-CE1 3.95Å; I279-F281 HydrophobicContact CG2-CE2 3.69Å; I279-F281 HydrophobicContact CG2-CG 4.47Å; I279-F281 HydrophobicContact CG2-CZ 3.59Å
280C96.7Very high90.3Very high27 Ų2765 Ų6518%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-115114.9173.5-170.30000109.9V235 K269 H282V235-C280 HydrophobicContact CB-CB 4.19Å; V235-C280 VanDerWaalsContact CG1-SG 3.52Å; V235-C280 WeakPolarHBondContact O-CA 3.44Å; K269-C280 HydrophobicContact CB-CB 4.25Å; K269-C280 HydrophobicContact CG-CB 4.3Å; C280-H282 PolarHBondContact SG-CE1 3.44Å; C280-H282 PolarHBondContact SG-NE2 3.4Å
281F97.8Very high90.2Very high59 Ų5968 Ų6826%0.25936%0.356SS..EExtended strand (participates in β ladder)trans-95.4118.1177.5-59-85.9000109.1L144 I148 F234 V235 I236 D237 I279L144-F281 HydrophobicContact CD1-CD1 3.89Å; L144-F281 HydrophobicContact CD1-CD2 4.35Å; L144-F281 HydrophobicContact CD1-CE1 3.98Å; L144-F281 HydrophobicContact CD1-CE2 4.44Å; L144-F281 HydrophobicContact CD1-CG 4.08Å; L144-F281 HydrophobicContact CD1-CZ 4.26Å; L144-F281 HydrophobicContact CD2-CB 3.66Å; L144-F281 HydrophobicContact CD2-CD1 4.34Å; L144-F281 HydrophobicContact CD2-CD2 4.36Å; L144-F281 HydrophobicContact CD2-CG 3.89Å; L144-F281 HydrophobicContact CG-CG 4.49Å; I148-F281 HydrophobicContact CD1-CD2 3.9Å; I148-F281 HydrophobicContact CD1-CE2 3.51Å; I148-F281 HydrophobicContact CD1-CZ 4.23Å; I148-F281 HydrophobicContact CG1-CE2 3.89Å; I148-F281 HydrophobicContact CG1-CZ 4.19Å; F234-F281 HydrophobicContact CD1-CE2 4.13Å; V235-F281 PolarHBondContact O-N 3.21Å; I236-F281 HydrophobicContact CG1-CD2 4.49Å; D237-F281 PolarHBondContact N-O 3.01Å; I279-F281 HydrophobicContact CB-CE2 4.12Å; I279-F281 HydrophobicContact CB-CZ 4.3Å; I279-F281 HydrophobicContact CG2-CD1 4.37Å; I279-F281 HydrophobicContact CG2-CD2 4.14Å; I279-F281 HydrophobicContact CG2-CE1 3.95Å; I279-F281 HydrophobicContact CG2-CE2 3.69Å; I279-F281 HydrophobicContact CG2-CG 4.47Å; I279-F281 HydrophobicContact CG2-CZ 3.59Å
282H96.7Very high90.1Very high56 Ų5667.8 Ų67.826%0.25936%0.355SS..EExtended strand (participates in β ladder)trans-103.9120.9179.6-65.2-73.8000109.9D237 V265 C280 F284D237-H282 IonicContact OD2-CE1 3.08Å; D237-H282 IonicContact OD2-ND1 3.43Å; D237-H282 PolarHBondContact OD2-ND1 3.42Å; V265-H282 VanDerWaalsContact CG1-CE1 3.41Å; V265-H282 WeakPolarHBondContact CG1-CE1 3.34Å; C280-H282 PolarHBondContact SG-CE1 3.44Å; C280-H282 PolarHBondContact SG-NE2 3.4Å; H282-F284 HydrophobicContact CB-CD1 4.17Å; H282-F284 HydrophobicContact CB-CD2 4.39Å; H282-F284 HydrophobicContact CB-CE1 3.65Å; H282-F284 HydrophobicContact CB-CE2 3.89Å; H282-F284 HydrophobicContact CB-CZ 3.51Å; H282-F284 AromaticContact CG-CZ 3.74Å; H282-F284 AromaticContact ND1-CE1 3.95Å; H282-F284 AromaticContact ND1-CZ 3.67Å; H282-F284 PolarHBondContact O-N 3.06Å
283L94.6Very high90Very high33 Ų3373.5 Ų73.517%0.17338%0.382CS..SBendtrans-86.553.1-174.9-80.767.4000111.5L140 I141 L144 I236 D237L140-L283 HydrophobicContact CD2-CD2 3.98Å; L140-L283 HydrophobicContact CD2-CG 4.12Å; L140-L283 HydrophobicContact CG-CD2 4.07Å; I141-L283 HydrophobicContact CD1-CD2 4.07Å; I141-L283 HydrophobicContact CG1-CD2 3.32Å; L144-L283 HydrophobicContact CD2-CD1 4.01Å; I236-L283 HydrophobicContact CG2-CD1 3.72Å; D237-L283 PolarHBondContact O-N 2.86Å
284F92.2Very high90.4Very high25 Ų2574.4 Ų74.411%0.1137%0.373CS..SBendtrans-154.1148.7175.547.2-95.8000110.8W259 V265 H282 R288 F289 M292W259-F284 HydrophobicContact CH2-CB 3.98Å; W259-F284 HydrophobicContact CZ3-CB 3.74Å; W259-F284 AromaticContact CZ3-CD1 3.95Å; W259-F284 HydrophobicContact CZ3-CD1 3.95Å; W259-F284 HydrophobicContact CZ3-CG 4.16Å; V265-F284 HydrophobicContact CB-CZ 4.49Å; V265-F284 HydrophobicContact CG1-CZ 3.99Å; V265-F284 HydrophobicContact CG2-CE1 4.46Å; V265-F284 HydrophobicContact CG2-CE2 4.3Å; V265-F284 HydrophobicContact CG2-CZ 3.61Å; H282-F284 HydrophobicContact CB-CD1 4.17Å; H282-F284 HydrophobicContact CB-CD2 4.39Å; H282-F284 HydrophobicContact CB-CE1 3.65Å; H282-F284 HydrophobicContact CB-CE2 3.89Å; H282-F284 HydrophobicContact CB-CZ 3.51Å; H282-F284 AromaticContact CG-CZ 3.74Å; H282-F284 AromaticContact ND1-CE1 3.95Å; H282-F284 AromaticContact ND1-CZ 3.67Å; H282-F284 PolarHBondContact O-N 3.06Å; F284-R288 HydrophobicContact CB-CB 4.1Å; F284-R288 HydrophobicContact CB-CG 3.77Å; F284-F289 HydrophobicContact CD2-CB 4.01Å; F284-F289 HydrophobicContact CE2-CB 3.91Å; F284-F289 AromaticContact CE2-CD2 3.88Å; F284-F289 HydrophobicContact CE2-CD2 3.88Å; F284-F289 HydrophobicContact CE2-CG 4.3Å; F284-M292 HydrophobicContact CB-CE 4.35Å; F284-M292 HydrophobicContact CD1-CE 3.78Å; F284-M292 HydrophobicContact CD2-CE 3.57Å; F284-M292 HydrophobicContact CE1-CE 3.83Å; F284-M292 HydrophobicContact CE2-CE 3.63Å; F284-M292 HydrophobicContact CE2-SD 4.2Å; F284-M292 HydrophobicContact CG-CE 3.63Å; F284-M292 HydrophobicContact CZ-CE 3.74Å; F284-M292 HydrophobicContact CZ-SD 4.31Å
285S88.6Confident90.9Very high16 Ų1676.2 Ų76.211%0.11238%0.384CS..  trans-71.3159-179.363.90000112.3H128 L287 R288 F289H128-S285 WeakPolarHBondContact NE2-CB 3.42Å; H128-S285 PolarHBondContact NE2-OG 2.72Å; H128-S285 VanDerWaalsContact NE2-OG 3.08Å; S285-L287 PolarHBondContact O-N 3.06Å; S285-R288 PolarHBondContact O-N 2.99Å; S285-R288 PolarHBondContact OG-N 3.05Å; S285-F289 PolarHBondContact O-N 2.72Å
286R85Confident91.3Very high125 Ų12576.1 Ų76.147%0.47238%0.375SS..Hα-helixtrans-52.8-37.1169.4-71.8179.7174.7162.5-3.8111.6S112 T114 F289 N290S112-R286 PolarHBondContact O-NH2 3.4Å; T114-R286 PolarHBondContact O-NH1 2.76Å; R286-F289 PolarHBondContact O-N 3.42Å; R286-N290 WeakPolarHBondContact O-CB 3.25Å; R286-N290 PolarHBondContact O-N 3.01Å; R286-N290 PolarHBondContact O-OD1 2.88Å
287L84.4Confident91.5Very high124 Ų12472.4 Ų72.465%0.64937%0.365SS*.Hα-helixtrans-61.9-43.4174.1-178.364.8000112.4S285 N291S285-L287 PolarHBondContact O-N 3.06Å; L287-N291 PolarHBondContact O-N 2.79Å; L287-N291 PolarHBondContact O-ND2 2.89Å
288R88.5Confident91.5Very high80 Ų8069 Ų6930%0.30234%0.344SS..Hα-helixtrans-65.9-44175.8172.857.171.7-143.82.2111D133 W259 F284 S285 N291 M292D133-R288 IonicContact OD2-CZ 3.63Å; D133-R288 IonicContact OD2-NE 3.88Å; D133-R288 PolarHBondContact OD2-NE 3.25Å; D133-R288 IonicContact OD2-NH2 2.88Å; D133-R288 PolarHBondContact OD2-NH2 3.29Å; W259-R288 HydrophobicContact CD2-CG 4.2Å; W259-R288 HydrophobicContact CE3-CG 4.21Å; W259-R288 HydrophobicContact CH2-CG 4.08Å; W259-R288 HydrophobicContact CZ2-CG 4.05Å; W259-R288 HydrophobicContact CZ3-CG 4.18Å; F284-R288 HydrophobicContact CB-CB 4.1Å; F284-R288 HydrophobicContact CB-CG 3.77Å; S285-R288 PolarHBondContact O-N 2.99Å; S285-R288 PolarHBondContact OG-N 3.05Å; R288-N291 CarbonylContact O-C 3.59Å; R288-N291 PolarHBondContact O-N 3.2Å; R288-N291 VanDerWaalsContact O-N 3.15Å; R288-M292 HydrophobicContact CG-CE 4.06Å; R288-M292 WeakPolarHBondContact O-CG 3.44Å; R288-M292 PolarHBondContact O-N 2.97Å; R288-M292 VanDerWaalsContact O-N 3.16Å
289F90.3Very high91.5Very high47 Ų4773.7 Ų73.721%0.20636%0.357CS..Hα-helixtrans-59-46.3176.1177.9-107000113K262 V265 F284 S285 R286 N291 M292K262-F289 HydrophobicContact CB-CE2 3.89Å; K262-F289 HydrophobicContact CB-CZ 4.17Å; K262-F289 HydrophobicContact CD-CE1 4.22Å; K262-F289 HydrophobicContact CD-CE2 4.04Å; K262-F289 HydrophobicContact CD-CZ 3.82Å; K262-F289 HydrophobicContact CG-CD2 4.23Å; K262-F289 HydrophobicContact CG-CE2 3.7Å; K262-F289 HydrophobicContact CG-CZ 3.99Å; V265-F289 HydrophobicContact CB-CE2 4.09Å; V265-F289 HydrophobicContact CG1-CD2 4.31Å; V265-F289 HydrophobicContact CG1-CE2 3.91Å; V265-F289 HydrophobicContact CG2-CD2 4.18Å; V265-F289 HydrophobicContact CG2-CE2 4.09Å; F284-F289 HydrophobicContact CD2-CB 4.01Å; F284-F289 HydrophobicContact CE2-CB 3.91Å; F284-F289 AromaticContact CE2-CD2 3.88Å; F284-F289 HydrophobicContact CE2-CD2 3.88Å; F284-F289 HydrophobicContact CE2-CG 4.3Å; S285-F289 PolarHBondContact O-N 2.72Å; R286-F289 PolarHBondContact O-N 3.42Å; F289-N291 PolarHBondContact O-N 3.24Å; F289-N291 VanDerWaalsContact O-N 3.11Å; F289-M292 HydrophobicContact CD2-SD 4.1Å; F289-M292 WeakPolarHBondContact O-CB 3.11Å; F289-M292 PolarHBondContact O-N 2.98Å
290N87.4Confident91.4Very high107 Ų10772 Ų7257%0.57235%0.348SS*.Hα-helixtrans-63.5-18.1178.4-68.63.2000113.1R286R286-N290 WeakPolarHBondContact O-CB 3.25Å; R286-N290 PolarHBondContact O-N 3.01Å; R286-N290 PolarHBondContact O-OD1 2.88Å
291N88.1Confident91.3Very high103 Ų10373.6 Ų73.655%0.55135%0.354SS*.THydrogen-bonded Turntrans-107.813.2175.5-69.7-80.2000113.3L287 R288 F289L287-N291 PolarHBondContact O-N 2.79Å; L287-N291 PolarHBondContact O-ND2 2.89Å; R288-N291 CarbonylContact O-C 3.59Å; R288-N291 PolarHBondContact O-N 3.2Å; R288-N291 VanDerWaalsContact O-N 3.15Å; F289-N291 PolarHBondContact O-N 3.24Å; F289-N291 VanDerWaalsContact O-N 3.11Å
292M89.6Confident91Very high13 Ų1372.3 Ų72.36%0.06435%0.348CS..SBendtrans-79149.3166.1-69.9178.8179.200110.4W259 I260 K262 V265 F284 R288 F289W259-M292 HydrophobicContact CD2-CE 4.42Å; W259-M292 HydrophobicContact CE3-CE 3.68Å; W259-M292 HydrophobicContact CZ3-CE 4.23Å; I260-M292 VanDerWaalsContact O-SD 3.42Å; K262-M292 VanDerWaalsContact CE-O 3.25Å; K262-M292 WeakPolarHBondContact CE-O 3.37Å; K262-M292 HydrophobicContact CG-CB 3.94Å; V265-M292 HydrophobicContact CG2-SD 3.84Å; F284-M292 HydrophobicContact CB-CE 4.35Å; F284-M292 HydrophobicContact CD1-CE 3.78Å; F284-M292 HydrophobicContact CD2-CE 3.57Å; F284-M292 HydrophobicContact CE1-CE 3.83Å; F284-M292 HydrophobicContact CE2-CE 3.63Å; F284-M292 HydrophobicContact CE2-SD 4.2Å; F284-M292 HydrophobicContact CG-CE 3.63Å; F284-M292 HydrophobicContact CZ-CE 3.74Å; F284-M292 HydrophobicContact CZ-SD 4.31Å; R288-M292 HydrophobicContact CG-CE 4.06Å; R288-M292 WeakPolarHBondContact O-CG 3.44Å; R288-M292 PolarHBondContact O-N 2.97Å; R288-M292 VanDerWaalsContact O-N 3.16Å; F289-M292 HydrophobicContact CD2-SD 4.1Å; F289-M292 WeakPolarHBondContact O-CB 3.11Å; F289-M292 PolarHBondContact O-N 2.98Å
293Q91.2Very high90.8Very high123 Ų12372.2 Ų72.258%0.57535%0.348SS*.  trans-63.4146.8167.9-67.6-178.4-38.100110.3S261 K262 F295S261-Q293 CarbonylContact C-O 3.59Å; S261-Q293 WeakPolarHBondContact CA-O 3.47Å; S261-Q293 VanDerWaalsContact CB-O 3.27Å; S261-Q293 WeakPolarHBondContact CB-O 3.21Å; K262-Q293 PolarHBondContact N-O 3.29Å; Q293-F295 WeakPolarHBondContact CB-O 3.44Å
294E93.3Very high90.7Very high68 Ų6872.8 Ų72.832%0.31835%0.354SS..SBendtrans-65.1-48.6179.4-155.259.2-11000111.3S261 K262 A263S261-E294 WeakPolarHBondContact CB-O 3.24Å; K262-E294 VanDerWaalsContact CB-OE1 3.25Å; K262-E294 WeakPolarHBondContact CB-OE1 3.35Å; K262-E294 WeakPolarHBondContact CD-OE1 3.13Å; K262-E294 WeakPolarHBondContact CE-OE2 3.35Å; K262-E294 PolarHBondContact N-O 2.82Å; K262-E294 IonicContact NZ-OE1 3.89Å; K262-E294 IonicContact NZ-OE2 3.52Å; K262-E294 PolarHBondContact NZ-OE2 2.76Å; A263-E294 VanDerWaalsContact CB-O 3.3Å; A263-E294 WeakPolarHBondContact CB-O 3.42Å; A263-E294 PolarHBondContact N-O 3.21Å
295F93.2Very high90.8Very high143 Ų14372 Ų7263%0.62735%0.351SS*.SBendtrans-120.2159.4178.5-56.4-73.1000111.2A263 Q293A263-F295 HydrophobicContact CB-CD1 3.73Å; A263-F295 HydrophobicContact CB-CE1 4Å; Q293-F295 WeakPolarHBondContact CB-O 3.44Å
296Q91.3Very high91.1Very high83 Ų8373 Ų7339%0.38835%0.354SS..PPolyproline II helixtrans-71.2140.8173.7-176.6179.318.200109.7E243 P298E243-Q296 WeakPolarHBondContact OE1-CG 3.49Å; E243-Q296 PolarHBondContact OE1-NE2 3.26Å; Q296-P298 WeakPolarHBondContact O-CD 3.45Å
297V91.6Very high91.5Very high44 Ų4471.9 Ų71.927%0.26735%0.354SS..PPolyproline II helixtrans-51.3123.4175.4179.10000110.3L301 R302V297-L301 HydrophobicContact CG1-CB 3.96Å; V297-L301 HydrophobicContact CG1-CD1 4.36Å; V297-R302 HydrophobicContact CG1-CG 4.45Å; V297-R302 PolarHBondContact O-NE 2.89Å; V297-R302 PolarHBondContact O-NH2 2.75Å
298P93.4Very high92Very high52 Ų5269.2 Ų69.234%0.33834%0.34SS..PPolyproline II helixtrans-58.5145.3-179.6-28.837.1000112.8Q296 L300 L301Q296-P298 WeakPolarHBondContact O-CD 3.45Å; P298-L300 PolarHBondContact O-N 3.28Å; P298-L300 VanDerWaalsContact O-N 3.15Å; P298-L301 PolarHBondContact O-N 2.67Å
299Q92.1Very high92.4Very high132 Ų13265.4 Ų65.462%0.61733%0.326SS*.G310 helixtrans-57.5-33-178.3-64.8-173.352.900112.5L301 R302 M303Q299-L301 PolarHBondContact O-N 2.78Å; Q299-L301 VanDerWaalsContact O-N 3.13Å; Q299-R302 PolarHBondContact O-N 3.12Å; Q299-R302 VanDerWaalsContact O-N 3.07Å; Q299-M303 HydrophobicContact CB-CG 3.95Å; Q299-M303 WeakPolarHBondContact O-CB 3.37Å; Q299-M303 WeakPolarHBondContact O-CG 3.27Å; Q299-M303 PolarHBondContact O-N 3.11Å
300L94.4Very high92.6Very high51 Ų5163.3 Ų63.327%0.26732%0.316SS..G310 helixtrans-53-29.1173.6-179.358.4000113.9P298 L305 L308 A329 Q331 P333P298-L300 PolarHBondContact O-N 3.28Å; P298-L300 VanDerWaalsContact O-N 3.15Å; L300-L305 HydrophobicContact CD1-CD2 4.18Å; L300-L308 HydrophobicContact CD1-CD2 3.32Å; L300-A329 HydrophobicContact CD2-CB 3.97Å; L300-Q331 WeakPolarHBondContact CD2-O 3.4Å; L300-P333 HydrophobicContact CD1-CB 4.33Å; L300-P333 HydrophobicContact CD1-CG 4.02Å; L300-P333 HydrophobicContact CG-CB 4.38Å; L300-P333 HydrophobicContact CG-CG 4.32Å
301L93.4Very high92.9Very high61 Ų6161.1 Ų61.132%0.31930%0.303SS..G310 helixtrans-94.5-6.8-177.9-52.7-174.5000113.5V297 P298 Q299 Q331 P332 P333V297-L301 HydrophobicContact CG1-CB 3.96Å; V297-L301 HydrophobicContact CG1-CD1 4.36Å; P298-L301 PolarHBondContact O-N 2.67Å; Q299-L301 PolarHBondContact O-N 2.78Å; Q299-L301 VanDerWaalsContact O-N 3.13Å; L301-Q331 HydrophobicContact CD1-CB 4.3Å; L301-P332 WeakPolarHBondContact CD2-O 3.47Å; L301-P333 HydrophobicContact CD2-CB 4.45Å
302R91.8Very high93.2Very high32 Ų3256.4 Ų56.412%0.12128%0.278CS..THydrogen-bonded Turntrans-141.84-170.166.7178168.791.3-5.7116.3E243 K244 S245 F246 V297 Q299E243-R302 IonicContact OE1-CZ 2.7Å; E243-R302 IonicContact OE1-NE 3.38Å; E243-R302 PolarHBondContact OE1-NE 3.29Å; E243-R302 IonicContact OE1-NH1 2.75Å; E243-R302 IonicContact OE1-NH2 2.76Å; E243-R302 PolarHBondContact OE1-NH2 3.2Å; K244-R302 PolarHBondContact O-NH1 3Å; S245-R302 CarbonylContact C-O 3.55Å; S245-R302 WeakPolarHBondContact CA-O 3.35Å; F246-R302 PolarHBondContact N-O 3.35Å; V297-R302 HydrophobicContact CG1-CG 4.45Å; V297-R302 PolarHBondContact O-NE 2.89Å; V297-R302 PolarHBondContact O-NH2 2.75Å; Q299-R302 PolarHBondContact O-N 3.12Å; Q299-R302 VanDerWaalsContact O-N 3.07Å
303M92.2Very high93.4Very high55 Ų5556.7 Ų56.727%0.27128%0.279SS..SBendtrans-111.9160.3175.9-64.4-60.6-68.400110.9K244 Q299K244-M303 HydrophobicContact CD-CE 4.45Å; K244-M303 HydrophobicContact CG-SD 4.38Å; Q299-M303 HydrophobicContact CB-CG 3.95Å; Q299-M303 WeakPolarHBondContact O-CB 3.37Å; Q299-M303 WeakPolarHBondContact O-CG 3.27Å; Q299-M303 PolarHBondContact O-N 3.11Å
304P92.1Very high93.3Very high45 Ų4554.1 Ų54.129%0.29227%0.268SS..  trans-59.6140.3172.2-18.331.3000111F246F246-P304 HydrophobicContact CB-CG 4.27Å; F246-P304 HydrophobicContact CD1-CB 4.36Å; F246-P304 HydrophobicContact CD1-CG 4.19Å; F246-P304 HydrophobicContact CD2-CG 3.88Å; F246-P304 HydrophobicContact CE1-CB 4.38Å; F246-P304 HydrophobicContact CE1-CG 4.49Å; F246-P304 HydrophobicContact CE2-CG 4.2Å; F246-P304 HydrophobicContact CG-CG 3.87Å; F246-P304 HydrophobicContact CZ-CG 4.48Å
305L95Very high93.1Very high9 Ų957.3 Ų57.35%0.04729%0.287CS..  trans-104.41.9-171.5-56.7-179.2000114.2L300 E307 L308 C309 P333 A337 I338 A341L300-L305 HydrophobicContact CD1-CD2 4.18Å; L305-E307 PolarHBondContact O-N 3.08Å; L305-L308 HydrophobicContact CD2-CD2 4.32Å; L305-L308 PolarHBondContact O-N 3.28Å; L305-L308 VanDerWaalsContact O-N 3.12Å; L305-C309 WeakPolarHBondContact O-CB 3.38Å; L305-C309 PolarHBondContact O-N 3.36Å; L305-C309 PolarHBondContact O-SG 3.03Å; L305-P333 HydrophobicContact CD1-CB 3.75Å; L305-P333 HydrophobicContact CD1-CG 4.14Å; L305-A337 HydrophobicContact CD1-CB 3.9Å; L305-I338 HydrophobicContact CD1-CG1 4.35Å; L305-A341 HydrophobicContact CB-CB 3.82Å
306Q94.5Very high93Very high35 Ų3551.1 Ų51.116%0.16426%0.262CS..Hα-helixtrans-56.2-46.1-171.2-69.286.5-48.900112.9L310 A341 M344 L345Q306-L310 WeakPolarHBondContact O-CB 3.35Å; Q306-L310 PolarHBondContact O-N 3.06Å; Q306-L310 VanDerWaalsContact O-N 3.11Å; Q306-A341 HydrophobicContact CG-CB 4.23Å; Q306-M344 HydrophobicContact CG-CB 3.98Å; Q306-M344 HydrophobicContact CG-CG 3.88Å; Q306-L345 HydrophobicContact CB-CD2 4.28Å
307E94Very high92.8Very high103 Ų10351.2 Ų51.248%0.48127%0.27SS..Hα-helixtrans-64.7-46.3176.6-173.6-179.2175.900111.4L305 C309 L310 Q311L305-E307 PolarHBondContact O-N 3.08Å; E307-C309 PolarHBondContact O-N 3.29Å; E307-L310 PolarHBondContact O-N 3.43Å; E307-Q311 WeakPolarHBondContact O-CG 3.4Å; E307-Q311 PolarHBondContact O-N 2.75Å
308L95.1Very high92.4Very high68 Ų6853.4 Ų53.436%0.35629%0.288SS..Hα-helixtrans-61.5-43.3178-179.364.6000112.1L300 L305 L310 Q311 T312 L326L300-L308 HydrophobicContact CD1-CD2 3.32Å; L305-L308 HydrophobicContact CD2-CD2 4.32Å; L305-L308 PolarHBondContact O-N 3.28Å; L305-L308 VanDerWaalsContact O-N 3.12Å; L308-L310 VanDerWaalsContact C-N 3.3Å; L308-L310 PolarHBondContact O-N 2.98Å; L308-Q311 PolarHBondContact O-N 2.69Å; L308-T312 VanDerWaalsContact O-CB 3.31Å; L308-T312 WeakPolarHBondContact O-CB 3.26Å; L308-T312 PolarHBondContact O-N 3.31Å; L308-T312 PolarHBondContact O-OG1 3.23Å; L308-L326 HydrophobicContact CD1-CD2 4.49Å; L308-L326 HydrophobicContact CD2-CD1 4.36Å; L308-L326 HydrophobicContact CD2-CD2 3.88Å; L308-L326 HydrophobicContact CG-CD2 4.09Å
309C96.3Very high92Very high0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-63.1-36.7176.7-67.60000112L305 E307 K313 V322 V342 L345L305-C309 WeakPolarHBondContact O-CB 3.38Å; L305-C309 PolarHBondContact O-N 3.36Å; L305-C309 PolarHBondContact O-SG 3.03Å; E307-C309 PolarHBondContact O-N 3.29Å; C309-K313 PolarHBondContact O-N 3.38Å; C309-V322 HydrophobicContact CB-CG1 3.84Å; C309-V342 HydrophobicContact CB-CG2 4.27Å; C309-L345 HydrophobicContact CB-CD1 3.74Å
310L95.6Very high91.9Very high2 Ų250.2 Ų50.21%0.0128%0.281CS..Hα-helixtrans-70.1-47.2177-169.871000111.4Q306 E307 L308 T312 K313 L314 L345 A350 L357 L364 A365 P371Q306-L310 WeakPolarHBondContact O-CB 3.35Å; Q306-L310 PolarHBondContact O-N 3.06Å; Q306-L310 VanDerWaalsContact O-N 3.11Å; E307-L310 PolarHBondContact O-N 3.43Å; L308-L310 VanDerWaalsContact C-N 3.3Å; L308-L310 PolarHBondContact O-N 2.98Å; L310-T312 VanDerWaalsContact C-N 3.3Å; L310-T312 PolarHBondContact O-N 2.91Å; L310-K313 PolarHBondContact O-N 2.97Å; L310-L314 PolarHBondContact O-N 3.06Å; L310-L345 HydrophobicContact CB-CD1 4.03Å; L310-L345 HydrophobicContact CB-CD2 4.25Å; L310-L345 HydrophobicContact CD1-CD1 4.37Å; L310-L345 HydrophobicContact CD1-CD2 4.34Å; L310-A350 HydrophobicContact CD1-CB 4.06Å; L310-L357 HydrophobicContact CD1-CD2 3.46Å; L310-L357 VanDerWaalsContact CD1-CD2 3.46Å; L310-L357 HydrophobicContact CG-CD2 4.37Å; L310-L364 HydrophobicContact CD2-CB 3.96Å; L310-A365 HydrophobicContact CD2-CB 3.87Å; L310-A365 HydrophobicContact CG-CB 3.98Å; L310-P371 HydrophobicContact CD2-CB 4.14Å; L310-P371 HydrophobicContact CD2-CG 3.72Å
311Q93.4Very high91.9Very high61 Ų6150.8 Ų50.829%0.28529%0.288SS..Hα-helixtrans-64.1-33.9175.8-65.8-63.9-21.900111.9E307 L308 K313 L314 L315 A365E307-Q311 WeakPolarHBondContact O-CG 3.4Å; E307-Q311 PolarHBondContact O-N 2.75Å; L308-Q311 PolarHBondContact O-N 2.69Å; Q311-K313 PolarHBondContact O-N 3.21Å; Q311-L314 WeakPolarHBondContact O-CB 3.31Å; Q311-L314 PolarHBondContact O-N 2.81Å; Q311-L314 VanDerWaalsContact O-N 3.13Å; Q311-L315 WeakPolarHBondContact O-CG 3.46Å; Q311-L315 PolarHBondContact O-N 2.9Å; Q311-A365 PolarHBondContact NE2-O 2.96Å
312T94.4Very high91.9Very high5 Ų547.9 Ų47.93%0.03127%0.272CS..Hα-helixtrans-57.6-43.6171.7-70.10000111.8L308 L310 L314 L315 A316 V322 F325L308-T312 VanDerWaalsContact O-CB 3.31Å; L308-T312 WeakPolarHBondContact O-CB 3.26Å; L308-T312 PolarHBondContact O-N 3.31Å; L308-T312 PolarHBondContact O-OG1 3.23Å; L310-T312 VanDerWaalsContact C-N 3.3Å; L310-T312 PolarHBondContact O-N 2.91Å; T312-L314 VanDerWaalsContact C-N 3.27Å; T312-L314 PolarHBondContact O-N 2.95Å; T312-L315 PolarHBondContact O-N 3.26Å; T312-L315 VanDerWaalsContact O-N 3.15Å; T312-A316 HydrophobicContact CG2-CB 4.3Å; T312-A316 WeakPolarHBondContact O-CB 3.39Å; T312-A316 PolarHBondContact O-N 3.4Å; T312-V322 HydrophobicContact CG2-CB 4.42Å; T312-V322 HydrophobicContact CG2-CG1 4.02Å; T312-V322 HydrophobicContact CG2-CG2 4.41Å; T312-F325 HydrophobicContact CG2-CB 3.68Å; T312-F325 HydrophobicContact CG2-CD1 3.59Å; T312-F325 HydrophobicContact CG2-CE1 4.41Å; T312-F325 HydrophobicContact CG2-CG 3.74Å
313K92.6Very high92.1Very high18 Ų1848.1 Ų48.18%0.07828%0.281CS..Hα-helixtrans-71.5-13.3177.2-78.2-65.2-55.7-150.40114.7C309 L310 Q311 S318 V322 L351 E355 D356 L357C309-K313 PolarHBondContact O-N 3.38Å; L310-K313 PolarHBondContact O-N 2.97Å; Q311-K313 PolarHBondContact O-N 3.21Å; K313-S318 PolarHBondContact NZ-O 3.24Å; K313-V322 HydrophobicContact CD-CG2 4.04Å; K313-V322 HydrophobicContact CG-CG2 3.72Å; K313-L351 HydrophobicContact CG-CD2 4.23Å; K313-E355 VanDerWaalsContact CD-O 3.23Å; K313-E355 WeakPolarHBondContact CD-O 3.35Å; K313-E355 WeakPolarHBondContact CE-O 3.41Å; K313-E355 PolarHBondContact NZ-O 3.39Å; K313-D356 IonicContact NZ-OD1 2.7Å; K313-D356 PolarHBondContact NZ-OD1 2.76Å; K313-L357 HydrophobicContact CB-CD1 4.03Å; K313-L357 HydrophobicContact CB-CD2 4.31Å; K313-L357 HydrophobicContact CB-CG 3.93Å; K313-L357 WeakPolarHBondContact O-CD1 3.41Å
314L89.1Confident92.2Very high69 Ų6949.9 Ų49.936%0.36129%0.289SS..Hα-helixtrans-80-30.4167.4-78.6-173.8000113.2L310 Q311 T312 L357 F362 A365L310-L314 PolarHBondContact O-N 3.06Å; Q311-L314 WeakPolarHBondContact O-CB 3.31Å; Q311-L314 PolarHBondContact O-N 2.81Å; Q311-L314 VanDerWaalsContact O-N 3.13Å; T312-L314 VanDerWaalsContact C-N 3.27Å; T312-L314 PolarHBondContact O-N 2.95Å; L314-L357 HydrophobicContact CD2-CD1 3.67Å; L314-L357 HydrophobicContact CG-CD1 4.18Å; L314-F362 HydrophobicContact CD2-CD1 3.87Å; L314-F362 HydrophobicContact CD2-CE1 4.01Å; L314-A365 HydrophobicContact CD1-CB 3.45Å; L314-A365 VanDerWaalsContact CD1-CB 3.45Å; L314-A365 HydrophobicContact CD2-CB 4.43Å; L314-A365 HydrophobicContact CG-CB 3.91Å
315L89.8Confident92.3Very high136 Ų13651.6 Ų51.671%0.71229%0.292SS*.Hα-helixtrans-106.7-28.4-167.9-62.2176.5000113.8Q311 T312Q311-L315 WeakPolarHBondContact O-CG 3.46Å; Q311-L315 PolarHBondContact O-N 2.9Å; T312-L315 PolarHBondContact O-N 3.26Å; T312-L315 VanDerWaalsContact O-N 3.15Å
316A90.1Very high92.4Very high12 Ų1251.6 Ų51.610%0.09929%0.292CS..SBendtrans-76156.7174.800000111.3T312 C320 F325T312-A316 HydrophobicContact CG2-CB 4.3Å; T312-A316 WeakPolarHBondContact O-CB 3.39Å; T312-A316 PolarHBondContact O-N 3.4Å; A316-C320 HydrophobicContact CB-CB 4.23Å; A316-F325 HydrophobicContact CB-CB 4.35Å; A316-F325 HydrophobicContact CB-CD2 3.61Å; A316-F325 HydrophobicContact CB-CE2 4.13Å; A316-F325 HydrophobicContact CB-CG 4.09Å
317P88.8Confident92.4Very high86 Ų8653.1 Ų53.156%0.55831%0.306SS*.  trans-53.9142.2166.6-22.833.8000110.6S319 C320P317-S319 VanDerWaalsContact C-N 3.26Å; P317-S319 PolarHBondContact O-N 2.97Å; P317-S319 VanDerWaalsContact O-N 3.16Å; P317-C320 HydrophobicContact CB-CB 4.3Å; P317-C320 WeakPolarHBondContact O-CB 3.29Å; P317-C320 PolarHBondContact O-N 3.02Å
318S82Confident92.4Very high90 Ų9054.4 Ų54.463%0.62931%0.31SS*.THydrogen-bonded Turntrans-53.5-41.8-173.9480000113.3K313 C320K313-S318 PolarHBondContact NZ-O 3.24Å; S318-C320 VanDerWaalsContact C-N 3.25Å; S318-C320 PolarHBondContact O-N 2.83Å
319S84.9Confident92.4Very high109 Ų10952.4 Ų52.476%0.76230%0.303SS*.THydrogen-bonded Turntrans-75.3-1178.663.50000115.4P317 P321P317-S319 VanDerWaalsContact C-N 3.26Å; P317-S319 PolarHBondContact O-N 2.97Å; P317-S319 VanDerWaalsContact O-N 3.16Å; S319-P321 WeakPolarHBondContact O-CD 3.4Å
320C91.1Very high92.3Very high8 Ų858.9 Ų58.95%0.05435%0.346CS..SBendtrans-89.7118.7-179.4-172.20000110.2A316 P317 S318 E324A316-C320 HydrophobicContact CB-CB 4.23Å; P317-C320 HydrophobicContact CB-CB 4.3Å; P317-C320 WeakPolarHBondContact O-CB 3.29Å; P317-C320 PolarHBondContact O-N 3.02Å; S318-C320 VanDerWaalsContact C-N 3.25Å; S318-C320 PolarHBondContact O-N 2.83Å; C320-E324 VanDerWaalsContact SG-CD 3.57Å; C320-E324 PolarHBondContact SG-OE2 2.81Å
321P92.8Very high92.2Very high63 Ų6363.8 Ų63.841%0.40937%0.368SS..  trans-64.7148.9173.6-20.933.5000111.6S319 A323 E324 F325S319-P321 WeakPolarHBondContact O-CD 3.4Å; P321-A323 PolarHBondContact O-N 3.31Å; P321-A323 VanDerWaalsContact O-N 3.13Å; P321-E324 HydrophobicContact CB-CB 4.44Å; P321-E324 PolarHBondContact O-N 2.84Å; P321-F325 PolarHBondContact O-N 2.87Å
322V95.3Very high92.2Very high0 Ų064 Ų640%038%0.375CS..Hα-helixtrans-58.6-34.7-177179.70000112C309 T312 K313 F325 L326 I338 V342C309-V322 HydrophobicContact CB-CG1 3.84Å; T312-V322 HydrophobicContact CG2-CB 4.42Å; T312-V322 HydrophobicContact CG2-CG1 4.02Å; T312-V322 HydrophobicContact CG2-CG2 4.41Å; K313-V322 HydrophobicContact CD-CG2 4.04Å; K313-V322 HydrophobicContact CG-CG2 3.72Å; V322-F325 PolarHBondContact O-N 3.36Å; V322-L326 HydrophobicContact CG1-CD1 3.83Å; V322-L326 HydrophobicContact CG1-CG 4.32Å; V322-L326 WeakPolarHBondContact O-CB 3.42Å; V322-L326 WeakPolarHBondContact O-CG 3.48Å; V322-L326 PolarHBondContact O-N 2.7Å; V322-I338 HydrophobicContact CB-CG2 4.23Å; V322-I338 HydrophobicContact CG1-CG2 3.8Å; V322-V342 HydrophobicContact CB-CG2 4.05Å; V322-V342 HydrophobicContact CG1-CG2 4.28Å; V322-V342 HydrophobicContact CG2-CG2 4.12Å
323A94.8Very high92.3Very high37 Ų3764.1 Ų64.131%0.30638%0.376SS..Hα-helixtrans-67.4-32.7176.500000113.8P321 S327 I338P321-A323 PolarHBondContact O-N 3.31Å; P321-A323 VanDerWaalsContact O-N 3.13Å; A323-S327 WeakPolarHBondContact O-CB 3.4Å; A323-S327 PolarHBondContact O-N 3Å; A323-S327 PolarHBondContact O-OG 3.16Å; A323-I338 HydrophobicContact CB-CD1 4.12Å; A323-I338 HydrophobicContact CB-CG2 4.32Å
324E94.4Very high92.2Very high91 Ų9166 Ų6643%0.42539%0.39SS..Hα-helixtrans-80.6-21.1-179.7-166.6-117.8126.900112.2C320 P321 S327 K328C320-E324 VanDerWaalsContact SG-CD 3.57Å; C320-E324 PolarHBondContact SG-OE2 2.81Å; P321-E324 HydrophobicContact CB-CB 4.44Å; P321-E324 PolarHBondContact O-N 2.84Å; E324-S327 PolarHBondContact O-OG 2.96Å; E324-K328 WeakPolarHBondContact O-CD 3.47Å; E324-K328 WeakPolarHBondContact O-CE 3.45Å; E324-K328 PolarHBondContact O-NZ 2.71Å; E324-K328 IonicContact OE1-NZ 2.67Å; E324-K328 PolarHBondContact OE1-NZ 3.23Å
325F95.2Very high92.4Very high81 Ų8166.8 Ų66.836%0.35540%0.398SS..Hα-helixtrans-79.6-48.7167.3-169.9-90.2000111.5T312 A316 P321 V322 S327 K328T312-F325 HydrophobicContact CG2-CB 3.68Å; T312-F325 HydrophobicContact CG2-CD1 3.59Å; T312-F325 HydrophobicContact CG2-CE1 4.41Å; T312-F325 HydrophobicContact CG2-CG 3.74Å; A316-F325 HydrophobicContact CB-CB 4.35Å; A316-F325 HydrophobicContact CB-CD2 3.61Å; A316-F325 HydrophobicContact CB-CE2 4.13Å; A316-F325 HydrophobicContact CB-CG 4.09Å; P321-F325 PolarHBondContact O-N 2.87Å; V322-F325 PolarHBondContact O-N 3.36Å; F325-S327 VanDerWaalsContact C-N 3.32Å; F325-S327 PolarHBondContact O-N 2.97Å; F325-K328 WeakPolarHBondContact O-CB 3.25Å; F325-K328 PolarHBondContact O-N 3.27Å
326L95.4Very high92.4Very high10 Ų1064.5 Ų64.55%0.05238%0.383CS..Hα-helixtrans-72.4-19.5-176.1-67.7179.4000114.3L308 V322 K328 A329 P332 P333 I338L308-L326 HydrophobicContact CD1-CD2 4.49Å; L308-L326 HydrophobicContact CD2-CD1 4.36Å; L308-L326 HydrophobicContact CD2-CD2 3.88Å; L308-L326 HydrophobicContact CG-CD2 4.09Å; V322-L326 HydrophobicContact CG1-CD1 3.83Å; V322-L326 HydrophobicContact CG1-CG 4.32Å; V322-L326 WeakPolarHBondContact O-CB 3.42Å; V322-L326 WeakPolarHBondContact O-CG 3.48Å; V322-L326 PolarHBondContact O-N 2.7Å; L326-K328 PolarHBondContact O-N 3.34Å; L326-A329 WeakPolarHBondContact O-CB 3.49Å; L326-A329 PolarHBondContact O-N 3.16Å; L326-P332 WeakPolarHBondContact O-CB 3.25Å; L326-P333 HydrophobicContact CB-CG 4.11Å; L326-P333 HydrophobicContact CD1-CG 4.21Å; L326-I338 HydrophobicContact CB-CD1 4.07Å; L326-I338 HydrophobicContact CD1-CD1 4.26Å; L326-I338 HydrophobicContact CD1-CG1 4.25Å; L326-I338 HydrophobicContact CD1-CG2 4.26Å
327S95.1Very high92.6Very high66 Ų6664.5 Ų64.546%0.46238%0.383SS..THydrogen-bonded Turntrans-63-1817162.30000113.7A323 E324 F325 A329A323-S327 WeakPolarHBondContact O-CB 3.4Å; A323-S327 PolarHBondContact O-N 3Å; A323-S327 PolarHBondContact O-OG 3.16Å; E324-S327 PolarHBondContact O-OG 2.96Å; F325-S327 VanDerWaalsContact C-N 3.32Å; F325-S327 PolarHBondContact O-N 2.97Å; S327-A329 VanDerWaalsContact C-N 3.35Å
328K94.3Very high92.9Very high131 Ų13160.7 Ų60.757%0.5736%0.358SS*.THydrogen-bonded Turntrans-89.43.4-179.9-60.7159.9-175.8146.90113.2E324 F325 L326E324-K328 WeakPolarHBondContact O-CD 3.47Å; E324-K328 WeakPolarHBondContact O-CE 3.45Å; E324-K328 PolarHBondContact O-NZ 2.71Å; E324-K328 IonicContact OE1-NZ 2.67Å; E324-K328 PolarHBondContact OE1-NZ 3.23Å; F325-K328 WeakPolarHBondContact O-CB 3.25Å; F325-K328 PolarHBondContact O-N 3.27Å; L326-K328 PolarHBondContact O-N 3.34Å
329A94.9Very high93.5Very high25 Ų2562.3 Ų62.321%0.20736%0.355CS..SBendtrans-73.7151.217400000111.4L300 L326 S327 Q331L300-A329 HydrophobicContact CD2-CB 3.97Å; L326-A329 WeakPolarHBondContact O-CB 3.49Å; L326-A329 PolarHBondContact O-N 3.16Å; S327-A329 VanDerWaalsContact C-N 3.35Å; A329-Q331 PolarHBondContact O-N 3.15Å; A329-Q331 VanDerWaalsContact O-N 3.07Å
330P94.9Very high93.9Very high137 Ų13758.1 Ų58.189%0.8933%0.326SS*.SBendtrans-58-25.9-178.9-26.835.2000115
331Q92.8Very high94.1Very high104 Ų10457.9 Ų57.949%0.48633%0.325SS..SBendtrans-137.2103163.6-66.2-175.74.300106.8L300 L301 A329L300-Q331 WeakPolarHBondContact CD2-O 3.4Å; L301-Q331 HydrophobicContact CD1-CB 4.3Å; A329-Q331 PolarHBondContact O-N 3.15Å; A329-Q331 VanDerWaalsContact O-N 3.07Å
332P94.7Very high94.2Very high67 Ų6755 Ų5544%0.43531%0.306SS..PPolyproline II helixtrans-74.8142.8-17329.3-34.7000111.9L301 L326L301-P332 WeakPolarHBondContact CD2-O 3.47Å; L326-P332 WeakPolarHBondContact O-CB 3.25Å
333P94.7Very high94.1Very high6 Ų660 Ų604%0.03933%0.329CS..PPolyproline II helixtrans-70.6148.5177.627.6-31.8000111.7L300 L301 L305 L326 T335 I338L300-P333 HydrophobicContact CD1-CB 4.33Å; L300-P333 HydrophobicContact CD1-CG 4.02Å; L300-P333 HydrophobicContact CG-CB 4.38Å; L300-P333 HydrophobicContact CG-CG 4.32Å; L301-P333 HydrophobicContact CD2-CB 4.45Å; L305-P333 HydrophobicContact CD1-CB 3.75Å; L305-P333 HydrophobicContact CD1-CG 4.14Å; L326-P333 HydrophobicContact CB-CG 4.11Å; L326-P333 HydrophobicContact CD1-CG 4.21Å; P333-T335 PolarHBondContact O-N 2.82Å; P333-I338 HydrophobicContact CB-CG1 4.43Å; P333-I338 HydrophobicContact CG-CD1 4Å; P333-I338 HydrophobicContact CG-CG1 3.99Å
334P91.8Very high93.9Very high58 Ų5859 Ų5938%0.37732%0.318SS..PPolyproline II helixtrans-57136179.3-26.134.8000112.9H336 A337 I338P334-H336 VanDerWaalsContact CB-CE1 3.49Å; P334-H336 WeakPolarHBondContact CB-CE1 3.36Å; P334-H336 PolarHBondContact O-N 3.38Å; P334-H336 VanDerWaalsContact O-N 3.1Å; P334-A337 HydrophobicContact CB-CB 4.49Å; P334-A337 WeakPolarHBondContact O-CA 3.48Å; P334-A337 WeakPolarHBondContact O-CB 3.34Å; P334-A337 PolarHBondContact O-N 2.98Å; P334-I338 PolarHBondContact O-N 3.31Å
335T91.9Very high94Very high86 Ų8654.6 Ų54.653%0.52830%0.298SS..Hα-helixtrans-53-39.5-174.8-43.30000113.4P333 A337 I338 Q339P333-T335 PolarHBondContact O-N 2.82Å; T335-A337 VanDerWaalsContact C-N 3.27Å; T335-A337 PolarHBondContact O-N 3.24Å; T335-I338 PolarHBondContact O-N 2.82Å; T335-Q339 WeakPolarHBondContact O-CG 3.08Å; T335-Q339 PolarHBondContact O-N 3.14Å
336H91.4Very high93.9Very high88 Ų8852.6 Ų52.641%0.40729%0.289SS..Hα-helixtrans-65.3-27.8177.975.7-97.9000113T248 P334 S340T248-H336 PolarHBondContact OG1-CD2 3.22Å; T248-H336 PolarHBondContact OG1-NE2 2.66Å; P334-H336 VanDerWaalsContact CB-CE1 3.49Å; P334-H336 WeakPolarHBondContact CB-CE1 3.36Å; P334-H336 PolarHBondContact O-N 3.38Å; P334-H336 VanDerWaalsContact O-N 3.1Å; H336-S340 VanDerWaalsContact O-CB 3.32Å; H336-S340 WeakPolarHBondContact O-CB 3.18Å; H336-S340 PolarHBondContact O-N 2.83Å
337A93.8Very high93.7Very high11 Ų1153 Ų539%0.09129%0.292CS..Hα-helixtrans-70.9-45.1175.900000110.4T248 L305 P334 T335 S340 A341T248-A337 HydrophobicContact CG2-CB 3.6Å; L305-A337 HydrophobicContact CD1-CB 3.9Å; P334-A337 HydrophobicContact CB-CB 4.49Å; P334-A337 WeakPolarHBondContact O-CA 3.48Å; P334-A337 WeakPolarHBondContact O-CB 3.34Å; P334-A337 PolarHBondContact O-N 2.98Å; T335-A337 VanDerWaalsContact C-N 3.27Å; T335-A337 PolarHBondContact O-N 3.24Å; A337-S340 PolarHBondContact O-N 2.94Å; A337-A341 WeakPolarHBondContact O-CB 3.37Å; A337-A341 PolarHBondContact O-N 2.95Å
338I95.6Very high93.5Very high7 Ų750.1 Ų50.14%0.03627%0.272CS..Hα-helixtrans-59.8-48.7174.2-48.4175.5000109.6L305 V322 A323 L326 P333 P334 T335 S340 A341 V342L305-I338 HydrophobicContact CD1-CG1 4.35Å; V322-I338 HydrophobicContact CB-CG2 4.23Å; V322-I338 HydrophobicContact CG1-CG2 3.8Å; A323-I338 HydrophobicContact CB-CD1 4.12Å; A323-I338 HydrophobicContact CB-CG2 4.32Å; L326-I338 HydrophobicContact CB-CD1 4.07Å; L326-I338 HydrophobicContact CD1-CD1 4.26Å; L326-I338 HydrophobicContact CD1-CG1 4.25Å; L326-I338 HydrophobicContact CD1-CG2 4.26Å; P333-I338 HydrophobicContact CB-CG1 4.43Å; P333-I338 HydrophobicContact CG-CD1 4Å; P333-I338 HydrophobicContact CG-CG1 3.99Å; P334-I338 PolarHBondContact O-N 3.31Å; T335-I338 PolarHBondContact O-N 2.82Å; I338-S340 PolarHBondContact O-N 2.95Å; I338-A341 PolarHBondContact O-N 2.93Å; I338-V342 HydrophobicContact CG2-CG2 4.27Å; I338-V342 WeakPolarHBondContact O-CB 3.37Å; I338-V342 WeakPolarHBondContact O-CG2 3.42Å; I338-V342 PolarHBondContact O-N 2.81Å
339Q94Very high93.5Very high123 Ų12344.3 Ų44.358%0.57525%0.247SC*.Hα-helixtrans-60.3-43177-72.1169.5-19.600112.6T335 A341 H343T335-Q339 WeakPolarHBondContact O-CG 3.08Å; T335-Q339 PolarHBondContact O-N 3.14Å; Q339-A341 VanDerWaalsContact C-N 3.32Å; Q339-A341 PolarHBondContact O-N 2.89Å; Q339-H343 WeakPolarHBondContact O-CB 3.49Å; Q339-H343 PolarHBondContact O-N 2.9Å
340S92.9Very high93.5Very high21 Ų2143.1 Ų43.115%0.14724%0.237CC..Hα-helixtrans-65.4-35178.1-169.30000112.3T248 R251 H336 A337 I338 M344T248-S340 PolarHBondContact O-OG 3.05Å; R251-S340 PolarHBondContact NH2-O 3.16Å; H336-S340 VanDerWaalsContact O-CB 3.32Å; H336-S340 WeakPolarHBondContact O-CB 3.18Å; H336-S340 PolarHBondContact O-N 2.83Å; A337-S340 PolarHBondContact O-N 2.94Å; I338-S340 PolarHBondContact O-N 2.95Å; S340-M344 PolarHBondContact O-N 2.93Å; S340-M344 VanDerWaalsContact O-N 3.11Å
341A94.9Very high93.5Very high3 Ų336.6 Ų36.63%0.02519%0.194CC..Hα-helixtrans-74.4-47.1175.800000112.7L305 Q306 A337 I338 Q339 H343 M344 L345L305-A341 HydrophobicContact CB-CB 3.82Å; Q306-A341 HydrophobicContact CG-CB 4.23Å; A337-A341 WeakPolarHBondContact O-CB 3.37Å; A337-A341 PolarHBondContact O-N 2.95Å; I338-A341 PolarHBondContact O-N 2.93Å; Q339-A341 VanDerWaalsContact C-N 3.32Å; Q339-A341 PolarHBondContact O-N 2.89Å; A341-H343 VanDerWaalsContact C-N 3.34Å; A341-H343 PolarHBondContact O-N 2.87Å; A341-M344 WeakPolarHBondContact O-CB 3.31Å; A341-M344 PolarHBondContact O-N 2.92Å; A341-M344 VanDerWaalsContact O-N 3.11Å; A341-L345 PolarHBondContact O-N 2.89Å
342V95.6Very high93.4Very high4 Ų433.8 Ų33.82%0.02418%0.183CC..Hα-helixtrans-59.9-43.8173.3167.40000110.8C309 V322 I338 M344 L345 K346 L351 E355C309-V342 HydrophobicContact CB-CG2 4.27Å; V322-V342 HydrophobicContact CB-CG2 4.05Å; V322-V342 HydrophobicContact CG1-CG2 4.28Å; V322-V342 HydrophobicContact CG2-CG2 4.12Å; I338-V342 HydrophobicContact CG2-CG2 4.27Å; I338-V342 WeakPolarHBondContact O-CB 3.37Å; I338-V342 WeakPolarHBondContact O-CG2 3.42Å; I338-V342 PolarHBondContact O-N 2.81Å; V342-M344 VanDerWaalsContact C-N 3.31Å; V342-M344 PolarHBondContact O-N 3.38Å; V342-L345 WeakPolarHBondContact O-CB 3.21Å; V342-L345 PolarHBondContact O-N 3.09Å; V342-L345 VanDerWaalsContact O-N 3.13Å; V342-K346 HydrophobicContact CG1-CD 4.4Å; V342-K346 WeakPolarHBondContact O-CG 3.33Å; V342-K346 PolarHBondContact O-N 3.43Å; V342-L351 HydrophobicContact CG1-CD1 4.2Å; V342-E355 HydrophobicContact CG1-CG 3.82Å
343H92.6Very high93.3Very high104 Ų10436.6 Ų36.648%0.48119%0.19SC..Hα-helixtrans-59.8-40.1173.8175.459.3000111.8R251 Q339 A341 K346 T347R251-H343 PolarHBondContact NH2-CD2 3.36Å; Q339-H343 WeakPolarHBondContact O-CB 3.49Å; Q339-H343 PolarHBondContact O-N 2.9Å; A341-H343 VanDerWaalsContact C-N 3.34Å; A341-H343 PolarHBondContact O-N 2.87Å; H343-K346 CarbonylContact O-C 3.59Å; H343-K346 WeakPolarHBondContact O-CB 3.24Å; H343-K346 PolarHBondContact O-N 2.93Å; H343-T347 PolarHBondContact O-N 2.74Å; H343-T347 PolarHBondContact O-OG1 3.25Å
344M91.8Very high93.1Very high15 Ų1542.2 Ų42.27%0.07422%0.22CC..Hα-helixtrans-63-41.3172.8-17757.7-169.100112.6Q306 S340 A341 V342 K346 T347 I348 P513Q306-M344 HydrophobicContact CG-CB 3.98Å; Q306-M344 HydrophobicContact CG-CG 3.88Å; S340-M344 PolarHBondContact O-N 2.93Å; S340-M344 VanDerWaalsContact O-N 3.11Å; A341-M344 WeakPolarHBondContact O-CB 3.31Å; A341-M344 PolarHBondContact O-N 2.92Å; A341-M344 VanDerWaalsContact O-N 3.11Å; V342-M344 VanDerWaalsContact C-N 3.31Å; V342-M344 PolarHBondContact O-N 3.38Å; M344-K346 VanDerWaalsContact C-N 3.28Å; M344-K346 PolarHBondContact O-N 3.07Å; M344-T347 WeakPolarHBondContact O-CB 3.33Å; M344-T347 PolarHBondContact O-N 2.65Å; M344-T347 VanDerWaalsContact O-N 3.15Å; M344-I348 HydrophobicContact CE-CG2 3.57Å; M344-I348 PolarHBondContact O-N 2.94Å; M344-I348 HydrophobicContact SD-CG2 4.46Å; M344-P513 VanDerWaalsContact CE-CD 3.5Å; M344-P513 HydrophobicContact SD-CG 4.25Å
345L95.3Very high93.1Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-62-35.9173.6-67.8177.2000112Q306 C309 L310 A341 V342 I348 D349 A350 L351 P371Q306-L345 HydrophobicContact CB-CD2 4.28Å; C309-L345 HydrophobicContact CB-CD1 3.74Å; L310-L345 HydrophobicContact CB-CD1 4.03Å; L310-L345 HydrophobicContact CB-CD2 4.25Å; L310-L345 HydrophobicContact CD1-CD1 4.37Å; L310-L345 HydrophobicContact CD1-CD2 4.34Å; A341-L345 PolarHBondContact O-N 2.89Å; V342-L345 WeakPolarHBondContact O-CB 3.21Å; V342-L345 PolarHBondContact O-N 3.09Å; V342-L345 VanDerWaalsContact O-N 3.13Å; L345-I348 HydrophobicContact CD2-CD1 4.28Å; L345-I348 WeakPolarHBondContact O-CG1 3.36Å; L345-D349 PolarHBondContact O-N 2.82Å; L345-A350 HydrophobicContact CB-CB 4.27Å; L345-A350 HydrophobicContact CD2-CB 4.07Å; L345-A350 PolarHBondContact O-N 3.1Å; L345-L351 HydrophobicContact CB-CB 4.33Å; L345-L351 HydrophobicContact CB-CD1 3.83Å; L345-L351 HydrophobicContact CB-CG 3.87Å; L345-L351 HydrophobicContact CD1-CD1 3.73Å; L345-L351 HydrophobicContact CD1-CG 4.2Å; L345-L351 HydrophobicContact CG-CD1 4.47Å; L345-L351 PolarHBondContact O-N 3.29Å; L345-P371 HydrophobicContact CD2-CB 4.19Å; L345-P371 HydrophobicContact CD2-CG 4.18Å
346K93.5Very high93.2Very high38 Ų3840.9 Ų40.917%0.16521%0.205CC..Hα-helixtrans-69.1-36.5171.7-64.8-176.9-174.1-179.40112.3V342 H343 M344 I348 D349 L351 D352 Q353 E355V342-K346 HydrophobicContact CG1-CD 4.4Å; V342-K346 WeakPolarHBondContact O-CG 3.33Å; V342-K346 PolarHBondContact O-N 3.43Å; H343-K346 CarbonylContact O-C 3.59Å; H343-K346 WeakPolarHBondContact O-CB 3.24Å; H343-K346 PolarHBondContact O-N 2.93Å; M344-K346 VanDerWaalsContact C-N 3.28Å; M344-K346 PolarHBondContact O-N 3.07Å; K346-I348 PolarHBondContact O-N 2.82Å; K346-D349 PolarHBondContact O-N 2.64Å; K346-L351 HydrophobicContact CG-CB 3.95Å; K346-D352 VanDerWaalsContact CD-O 3.24Å; K346-D352 WeakPolarHBondContact CD-O 3.44Å; K346-D352 WeakPolarHBondContact CE-O 3.45Å; K346-D352 VanDerWaalsContact CG-O 3.28Å; K346-D352 WeakPolarHBondContact CG-O 3.38Å; K346-Q353 PolarHBondContact NZ-O 3.31Å; K346-E355 IonicContact NZ-OE1 3.54Å
347T90.9Very high93.3Very high20 Ų2037.9 Ų37.912%0.12319%0.192CC..Hα-helixtrans-62-38.7174.3-52.60000112.3H343 M344 D349 Y512 P513H343-T347 PolarHBondContact O-N 2.74Å; H343-T347 PolarHBondContact O-OG1 3.25Å; M344-T347 WeakPolarHBondContact O-CB 3.33Å; M344-T347 PolarHBondContact O-N 2.65Å; M344-T347 VanDerWaalsContact O-N 3.15Å; T347-D349 VanDerWaalsContact C-N 3.31Å; T347-Y512 HydrophobicContact CG2-CD1 4.27Å; T347-Y512 HydrophobicContact CG2-CE1 3.73Å; T347-P513 HydrophobicContact CG2-CG 4.46Å
348I92.4Very high93.3Very high5 Ų539 Ų393%0.02620%0.197CC..THydrogen-bonded Turntrans-87.74.7178.668.6172.2000113.8M344 L345 K346 A350 L360 L364 P371 K375M344-I348 HydrophobicContact CE-CG2 3.57Å; M344-I348 PolarHBondContact O-N 2.94Å; M344-I348 HydrophobicContact SD-CG2 4.46Å; L345-I348 HydrophobicContact CD2-CD1 4.28Å; L345-I348 WeakPolarHBondContact O-CG1 3.36Å; K346-I348 PolarHBondContact O-N 2.82Å; I348-A350 VanDerWaalsContact C-N 3.27Å; I348-A350 HydrophobicContact CD1-CB 4.08Å; I348-A350 HydrophobicContact CG1-CB 3.88Å; I348-A350 PolarHBondContact O-N 3.02Å; I348-L360 WeakPolarHBondContact O-CD2 3.43Å; I348-L364 HydrophobicContact CD1-CD1 4.21Å; I348-P371 HydrophobicContact CD1-CB 3.73Å; I348-K375 HydrophobicContact CB-CD 4.02Å; I348-K375 PolarHBondContact O-NZ 3.24Å
349D92.6Very high93.3Very high8 Ų841.8 Ų41.84%0.04321%0.212CC..THydrogen-bonded Turntrans60.125.5-173.6-48.2-70.4000114.9L345 K346 T347 T358 L360 K375 T595 K596L345-D349 PolarHBondContact O-N 2.82Å; K346-D349 PolarHBondContact O-N 2.64Å; T347-D349 VanDerWaalsContact C-N 3.31Å; D349-T358 WeakPolarHBondContact O-CB 3.49Å; D349-T358 WeakPolarHBondContact O-CG2 3.2Å; D349-T358 PolarHBondContact O-OG1 3.35Å; D349-L360 HydrophobicContact CB-CD2 4.34Å; D349-K375 IonicContact OD2-NZ 3.71Å; D349-T595 PolarHBondContact OD1-OG1 3.45Å; D349-T595 WeakPolarHBondContact OD2-CB 3.25Å; D349-T595 WeakPolarHBondContact OD2-CG2 3.46Å; D349-T595 PolarHBondContact OD2-N 2.8Å; D349-T595 PolarHBondContact OD2-OG1 2.77Å; D349-K596 WeakPolarHBondContact OD1-CE 3.49Å
350A95.3Very high93.4Very high0 Ų036.3 Ų36.30%019%0.187CC..SBendtrans-75.5-32.6170.400000111.8L310 L345 I348 T358 G361 L364L310-A350 HydrophobicContact CD1-CB 4.06Å; L345-A350 HydrophobicContact CB-CB 4.27Å; L345-A350 HydrophobicContact CD2-CB 4.07Å; L345-A350 PolarHBondContact O-N 3.1Å; I348-A350 VanDerWaalsContact C-N 3.27Å; I348-A350 HydrophobicContact CD1-CB 4.08Å; I348-A350 HydrophobicContact CG1-CB 3.88Å; I348-A350 PolarHBondContact O-N 3.02Å; A350-T358 PolarHBondContact O-N 3.12Å; A350-T358 PolarHBondContact O-OG1 3.38Å; A350-G361 WeakPolarHBondContact O-CA 3.33Å; A350-L364 HydrophobicContact CB-CD1 3.86Å
351L94.8Very high93.5Very high0 Ų035.3 Ų35.30%018%0.18CC..BIsolated β-bridgetrans-118.6149.3171.8-63.4179000111K313 V342 L345 K346 D356 L357K313-L351 HydrophobicContact CG-CD2 4.23Å; V342-L351 HydrophobicContact CG1-CD1 4.2Å; L345-L351 HydrophobicContact CB-CB 4.33Å; L345-L351 HydrophobicContact CB-CD1 3.83Å; L345-L351 HydrophobicContact CB-CG 3.87Å; L345-L351 HydrophobicContact CD1-CD1 3.73Å; L345-L351 HydrophobicContact CD1-CG 4.2Å; L345-L351 HydrophobicContact CG-CD1 4.47Å; L345-L351 PolarHBondContact O-N 3.29Å; K346-L351 HydrophobicContact CG-CB 3.95Å; L351-D356 CarbonylContact C-O 3.48Å; L351-D356 VanDerWaalsContact CA-O 3.31Å; L351-D356 WeakPolarHBondContact CA-O 3.45Å; L351-L357 HydrophobicContact CD2-CD2 3.87Å; L351-L357 HydrophobicContact CD2-CG 4.19Å
352D91.9Very high93.6Very high45 Ų4540.4 Ų40.424%0.24120%0.202CC..  trans-79.9-170.3171.191.5-30.1000111.6K346 N354 E355 D356 T358K346-D352 VanDerWaalsContact CD-O 3.24Å; K346-D352 WeakPolarHBondContact CD-O 3.44Å; K346-D352 WeakPolarHBondContact CE-O 3.45Å; K346-D352 VanDerWaalsContact CG-O 3.28Å; K346-D352 WeakPolarHBondContact CG-O 3.38Å; D352-N354 VanDerWaalsContact C-N 3.29Å; D352-N354 PolarHBondContact O-N 2.71Å; D352-N354 WeakPolarHBondContact OD1-CA 3.47Å; D352-N354 WeakPolarHBondContact OD1-CB 3.42Å; D352-N354 PolarHBondContact OD1-N 2.99Å; D352-N354 PolarHBondContact OD2-ND2 2.7Å; D352-E355 PolarHBondContact OD1-N 3.05Å; D352-E355 VanDerWaalsContact OD1-N 3.09Å; D352-D356 PolarHBondContact N-O 3.12Å; D352-D356 PolarHBondContact OD1-N 2.84Å; D352-T358 HydrophobicContact CB-CG2 4.26Å
353Q90.8Very high93.6Very high127 Ų12741.7 Ų41.759%0.59321%0.207SC*.THydrogen-bonded Turntrans-71.1-24.6178.4-57.9-61.519.400113.5K346 E355K346-Q353 PolarHBondContact NZ-O 3.31Å; Q353-E355 VanDerWaalsContact C-N 3.32Å
354N90.8Very high93.8Very high123 Ų12336.9 Ų36.966%0.65819%0.185SC*.THydrogen-bonded Turntrans-85.9-0.2-178.2-53.1-46000113.4D352D352-N354 VanDerWaalsContact C-N 3.29Å; D352-N354 PolarHBondContact O-N 2.71Å; D352-N354 WeakPolarHBondContact OD1-CA 3.47Å; D352-N354 WeakPolarHBondContact OD1-CB 3.42Å; D352-N354 PolarHBondContact OD1-N 2.99Å; D352-N354 PolarHBondContact OD2-ND2 2.7Å
355E92.7Very high93.9Very high47 Ų4736.5 Ų36.522%0.2219%0.185CC..SBendtrans73.620.7-170.8-52.2-174.4-177.400114.5K313 V342 K346 D352 Q353K313-E355 VanDerWaalsContact CD-O 3.23Å; K313-E355 WeakPolarHBondContact CD-O 3.35Å; K313-E355 WeakPolarHBondContact CE-O 3.41Å; K313-E355 PolarHBondContact NZ-O 3.39Å; V342-E355 HydrophobicContact CG1-CG 3.82Å; K346-E355 IonicContact NZ-OE1 3.54Å; D352-E355 PolarHBondContact OD1-N 3.05Å; D352-E355 VanDerWaalsContact OD1-N 3.09Å; Q353-E355 VanDerWaalsContact C-N 3.32Å
356D92.6Very high93.8Very high69 Ų6940.2 Ų40.237%0.36921%0.205SC..PPolyproline II helixtrans-90.7149.1173.4-75.1-40000112.7K313 L351 D352 T358K313-D356 IonicContact NZ-OD1 2.7Å; K313-D356 PolarHBondContact NZ-OD1 2.76Å; L351-D356 CarbonylContact C-O 3.48Å; L351-D356 VanDerWaalsContact CA-O 3.31Å; L351-D356 WeakPolarHBondContact CA-O 3.45Å; D352-D356 PolarHBondContact N-O 3.12Å; D352-D356 PolarHBondContact OD1-N 2.84Å; D356-T358 PolarHBondContact O-N 3.26Å
357L94.3Very high93.9Very high26 Ų2638.8 Ų38.814%0.13620%0.198CC..BIsolated β-bridgetrans-68.3124-179.3-74.7165.3000110.6L310 K313 L314 L351 F362L310-L357 HydrophobicContact CD1-CD2 3.46Å; L310-L357 VanDerWaalsContact CD1-CD2 3.46Å; L310-L357 HydrophobicContact CG-CD2 4.37Å; K313-L357 HydrophobicContact CB-CD1 4.03Å; K313-L357 HydrophobicContact CB-CD2 4.31Å; K313-L357 HydrophobicContact CB-CG 3.93Å; K313-L357 WeakPolarHBondContact O-CD1 3.41Å; L314-L357 HydrophobicContact CD2-CD1 3.67Å; L314-L357 HydrophobicContact CG-CD1 4.18Å; L351-L357 HydrophobicContact CD2-CD2 3.87Å; L351-L357 HydrophobicContact CD2-CG 4.19Å; L357-F362 HydrophobicContact CB-CD1 4.43Å; L357-F362 HydrophobicContact CB-CD2 3.89Å; L357-F362 HydrophobicContact CB-CE1 4.13Å; L357-F362 HydrophobicContact CB-CE2 3.54Å; L357-F362 HydrophobicContact CB-CG 4.31Å; L357-F362 HydrophobicContact CB-CZ 3.68Å; L357-F362 HydrophobicContact CD1-CD1 4.02Å; L357-F362 HydrophobicContact CD1-CE1 3.64Å; L357-F362 HydrophobicContact CD1-CZ 3.95Å; L357-F362 HydrophobicContact CG-CZ 4.48Å; L357-F362 WeakPolarHBondContact O-CE2 3.32Å
358T94.7Very high93.9Very high33 Ų3340.3 Ų40.320%0.20221%0.209CC..PPolyproline II helixtrans-77.3170.3171.968.40000110.3D349 A350 D352 D356 L360 G361 F362D349-T358 WeakPolarHBondContact O-CB 3.49Å; D349-T358 WeakPolarHBondContact O-CG2 3.2Å; D349-T358 PolarHBondContact O-OG1 3.35Å; A350-T358 PolarHBondContact O-N 3.12Å; A350-T358 PolarHBondContact O-OG1 3.38Å; D352-T358 HydrophobicContact CB-CG2 4.26Å; D356-T358 PolarHBondContact O-N 3.26Å; T358-L360 PolarHBondContact O-N 3.32Å; T358-L360 VanDerWaalsContact O-N 3.13Å; T358-L360 PolarHBondContact OG1-N 3.42Å; T358-G361 WeakPolarHBondContact O-CA 3.41Å; T358-G361 PolarHBondContact O-N 2.88Å; T358-G361 PolarHBondContact OG1-N 3.1Å; T358-F362 VanDerWaalsContact O-CD2 3.28Å; T358-F362 WeakPolarHBondContact O-CD2 3.2Å; T358-F362 PolarHBondContact O-N 3.43Å; T358-F362 VanDerWaalsContact O-N 3.09Å
359D94.9Very high94Very high66 Ų6640.6 Ų40.635%0.35321%0.211SC..Hα-helixtrans-49.4-37.3167.9-55.7-78.9000111.9H363 I662 R663D359-H363 PolarHBondContact O-CD2 3.12Å; D359-I662 HydrophobicContact CB-CG2 3.76Å; D359-R663 HydrophobicContact CB-CG 4.01Å; D359-R663 VanDerWaalsContact CG-CG 3.45Å; D359-R663 IonicContact OD1-NE 3.76Å; D359-R663 WeakPolarHBondContact OD2-CG 3.2Å; D359-R663 IonicContact OD2-CZ 3.28Å; D359-R663 IonicContact OD2-NE 2.78Å; D359-R663 PolarHBondContact OD2-NE 3.4Å; D359-R663 IonicContact OD2-NH2 3.17Å; D359-R663 PolarHBondContact OD2-NH2 2.9Å; D359-R663 VanDerWaalsContact OD2-NH2 3.09Å
360L95.8Very high94.1Very high9 Ų944.2 Ų44.25%0.04723%0.227CC..Hα-helixtrans-72.3-44.8175.5179.162.6000111.4I348 D349 T358 F362 H363 L364 K375 L378 F658 I662I348-L360 WeakPolarHBondContact O-CD2 3.43Å; D349-L360 HydrophobicContact CB-CD2 4.34Å; T358-L360 PolarHBondContact O-N 3.32Å; T358-L360 VanDerWaalsContact O-N 3.13Å; T358-L360 PolarHBondContact OG1-N 3.42Å; L360-F362 VanDerWaalsContact C-N 3.33Å; L360-F362 PolarHBondContact O-N 2.88Å; L360-H363 PolarHBondContact O-N 3.05Å; L360-H363 VanDerWaalsContact O-N 3.15Å; L360-L364 HydrophobicContact CD1-CD1 4.15Å; L360-L364 HydrophobicContact CD1-CD2 4.14Å; L360-L364 HydrophobicContact CD1-CG 3.92Å; L360-L364 HydrophobicContact CD2-CD1 4.28Å; L360-L364 HydrophobicContact CG-CD1 3.78Å; L360-L364 HydrophobicContact CG-CG 3.99Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 3.1Å; L360-K375 HydrophobicContact CD2-CD 4.28Å; L360-L378 HydrophobicContact CD1-CD1 3.71Å; L360-F658 HydrophobicContact CD1-CE1 4.47Å; L360-F658 HydrophobicContact CD1-CZ 4.2Å; L360-F658 HydrophobicContact CD2-CE1 4.29Å; L360-I662 HydrophobicContact CB-CG2 3.98Å; L360-I662 HydrophobicContact CD1-CD1 3.93Å; L360-I662 HydrophobicContact CD1-CG1 4.32Å
361G96.1Very high94.1Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-53.8-45.3179.200000113.5A350 T358 L364 A365A350-G361 WeakPolarHBondContact O-CA 3.33Å; T358-G361 WeakPolarHBondContact O-CA 3.41Å; T358-G361 PolarHBondContact O-N 2.88Å; T358-G361 PolarHBondContact OG1-N 3.1Å; G361-L364 PolarHBondContact O-N 3.2Å; G361-A365 WeakPolarHBondContact O-CB 3.37Å; G361-A365 PolarHBondContact O-N 3.15Å
362F95.6Very high94.1Very high110 Ų11045.5 Ų45.548%0.48223%0.234SC..Hα-helixtrans-59.1-49.4175-76.3-71.1000112.3L314 L357 T358 L360 L364 A365 D366L314-F362 HydrophobicContact CD2-CD1 3.87Å; L314-F362 HydrophobicContact CD2-CE1 4.01Å; L357-F362 HydrophobicContact CB-CD1 4.43Å; L357-F362 HydrophobicContact CB-CD2 3.89Å; L357-F362 HydrophobicContact CB-CE1 4.13Å; L357-F362 HydrophobicContact CB-CE2 3.54Å; L357-F362 HydrophobicContact CB-CG 4.31Å; L357-F362 HydrophobicContact CB-CZ 3.68Å; L357-F362 HydrophobicContact CD1-CD1 4.02Å; L357-F362 HydrophobicContact CD1-CE1 3.64Å; L357-F362 HydrophobicContact CD1-CZ 3.95Å; L357-F362 HydrophobicContact CG-CZ 4.48Å; L357-F362 WeakPolarHBondContact O-CE2 3.32Å; T358-F362 VanDerWaalsContact O-CD2 3.28Å; T358-F362 WeakPolarHBondContact O-CD2 3.2Å; T358-F362 PolarHBondContact O-N 3.43Å; T358-F362 VanDerWaalsContact O-N 3.09Å; L360-F362 VanDerWaalsContact C-N 3.33Å; L360-F362 PolarHBondContact O-N 2.88Å; F362-L364 PolarHBondContact O-N 3.33Å; F362-A365 PolarHBondContact O-N 3.32Å; F362-D366 PolarHBondContact O-N 3.17Å
363H96.3Very high94.3Very high31 Ų3143.4 Ų43.414%0.14422%0.223CC..Hα-helixtrans-63.7-39.9177.9-66.5-56.8000112.2D359 L360 A365 D366 L367 L378 I479 F481 I662D359-H363 PolarHBondContact O-CD2 3.12Å; L360-H363 PolarHBondContact O-N 3.05Å; L360-H363 VanDerWaalsContact O-N 3.15Å; H363-A365 VanDerWaalsContact C-N 3.28Å; H363-A365 PolarHBondContact O-N 3.18Å; H363-D366 PolarHBondContact O-N 2.66Å; H363-L367 WeakPolarHBondContact O-CG 3.22Å; H363-L367 PolarHBondContact O-N 3.01Å; H363-L378 HydrophobicContact CB-CD1 4Å; H363-I479 WeakPolarHBondContact ND1-CG2 3.48Å; H363-F481 HydrophobicContact CB-CE2 4.36Å; H363-F481 AromaticContact CD2-CZ 3.92Å; H363-F481 AromaticContact CE1-CE2 3.88Å; H363-F481 AromaticContact CG-CE2 3.8Å; H363-F481 AromaticContact ND1-CE2 3.71Å; H363-F481 AromaticContact NE2-CZ 3.98Å; H363-I662 PolarHBondContact NE2-O 2.77Å
364L96.9Very high94.6Very high2 Ų237.4 Ų37.41%0.0119%0.194CC..Hα-helixtrans-63.4-34.2178-68.1-178.7000112.4L310 I348 A350 L360 G361 F362 L367 P371 K375 L378L310-L364 HydrophobicContact CD2-CB 3.96Å; I348-L364 HydrophobicContact CD1-CD1 4.21Å; A350-L364 HydrophobicContact CB-CD1 3.86Å; L360-L364 HydrophobicContact CD1-CD1 4.15Å; L360-L364 HydrophobicContact CD1-CD2 4.14Å; L360-L364 HydrophobicContact CD1-CG 3.92Å; L360-L364 HydrophobicContact CD2-CD1 4.28Å; L360-L364 HydrophobicContact CG-CD1 3.78Å; L360-L364 HydrophobicContact CG-CG 3.99Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.36Å; L360-L364 PolarHBondContact O-N 3.1Å; G361-L364 PolarHBondContact O-N 3.2Å; F362-L364 PolarHBondContact O-N 3.33Å; L364-L367 PolarHBondContact O-N 2.81Å; L364-P371 HydrophobicContact CD1-CB 4.26Å; L364-P371 WeakPolarHBondContact CD2-O 3.34Å; L364-K375 HydrophobicContact CD2-CB 4.27Å; L364-L378 HydrophobicContact CD2-CD1 3.89Å
365A94.5Very high94.9Very high8 Ų832.1 Ų32.17%0.06617%0.166CC..Hα-helixtrans-77.3-23.5179.400000113.7L310 Q311 L314 G361 F362 H363L310-A365 HydrophobicContact CD2-CB 3.87Å; L310-A365 HydrophobicContact CG-CB 3.98Å; Q311-A365 PolarHBondContact NE2-O 2.96Å; L314-A365 HydrophobicContact CD1-CB 3.45Å; L314-A365 VanDerWaalsContact CD1-CB 3.45Å; L314-A365 HydrophobicContact CD2-CB 4.43Å; L314-A365 HydrophobicContact CG-CB 3.91Å; G361-A365 WeakPolarHBondContact O-CB 3.37Å; G361-A365 PolarHBondContact O-N 3.15Å; F362-A365 PolarHBondContact O-N 3.32Å; H363-A365 VanDerWaalsContact C-N 3.28Å; H363-A365 PolarHBondContact O-N 3.18Å
366D92.6Very high95.2Very high78 Ų7829.9 Ų29.942%0.41716%0.155SC..Hα-helixtrans-80-11.6170.9-98.1-16.5000113.2F362 H363 I479F362-D366 PolarHBondContact O-N 3.17Å; H363-D366 PolarHBondContact O-N 2.66Å; D366-I479 HydrophobicContact CB-CD1 4.13Å
367L94.8Very high95.5Very high7 Ų726.6 Ų26.64%0.03714%0.138CC..SBendtrans-92.1131178.4-65177.8000111.7H363 L364 V369 L378 L472 Q475 L476 I479H363-L367 WeakPolarHBondContact O-CG 3.22Å; H363-L367 PolarHBondContact O-N 3.01Å; L364-L367 PolarHBondContact O-N 2.81Å; L367-V369 HydrophobicContact CB-CG2 4.21Å; L367-V369 PolarHBondContact O-N 2.84Å; L367-L378 HydrophobicContact CD1-CD1 4.2Å; L367-L378 HydrophobicContact CD1-CD2 4.32Å; L367-L378 HydrophobicContact CD1-CG 4.08Å; L367-L472 HydrophobicContact CB-CD1 4.25Å; L367-L472 HydrophobicContact CD2-CD1 3.76Å; L367-L472 HydrophobicContact CG-CD1 4.43Å; L367-Q475 HydrophobicContact CD2-CB 4.25Å; L367-L476 HydrophobicContact CD2-CD2 4.17Å; L367-I479 HydrophobicContact CD2-CD1 3.87Å
368P91.7Very high95.7Very high53 Ų5325.4 Ų25.434%0.34413%0.131SC..SBendtrans-81.354.2-179.134.8-39000112.8Q471 L472 Q475P368-Q471 HydrophobicContact CG-CG 4.29Å; P368-L472 HydrophobicContact CG-CD1 4.38Å; P368-Q475 HydrophobicContact CG-CG 4.5Å
369V94.4Very high95.8Very high10 Ų1023.9 Ų23.96%0.06112%0.122CC..SBendtrans-151.1162.2175.7-68.70000109.7L367 L373 A397 L472L367-V369 HydrophobicContact CB-CG2 4.21Å; L367-V369 PolarHBondContact O-N 2.84Å; V369-L373 HydrophobicContact CB-CB 4.21Å; V369-L373 HydrophobicContact CG2-CB 4.22Å; V369-A397 HydrophobicContact CB-CB 4.22Å; V369-A397 HydrophobicContact CG1-CB 3.73Å; V369-L472 HydrophobicContact CG1-CD2 3.84Å; V369-L472 HydrophobicContact CG2-CD2 4.49Å
370E93.9Very high96Very high84 Ų8420.8 Ų20.839%0.39311%0.105SC..  trans-52.6144.8173.7-77-165.3-145.900112.4H372 L373 G374E370-H372 PolarHBondContact O-N 2.84Å; E370-H372 IonicContact OE2-CE1 2.97Å; E370-H372 PolarHBondContact OE2-CE1 3.09Å; E370-H372 IonicContact OE2-ND1 3.5Å; E370-H372 PolarHBondContact OE2-ND1 2.89Å; E370-L373 HydrophobicContact CB-CD1 4.39Å; E370-L373 HydrophobicContact CB-CG 4.41Å; E370-L373 PolarHBondContact O-N 3.39Å; E370-G374 PolarHBondContact O-N 3.1Å
371P95.6Very high96.1Very high4 Ų420.8 Ų20.83%0.02611%0.106CC..Hα-helixtrans-55.6-31.2-174.5-28.735.9000114.6L310 L345 I348 L364 G374 K375L310-P371 HydrophobicContact CD2-CB 4.14Å; L310-P371 HydrophobicContact CD2-CG 3.72Å; L345-P371 HydrophobicContact CD2-CB 4.19Å; L345-P371 HydrophobicContact CD2-CG 4.18Å; I348-P371 HydrophobicContact CD1-CB 3.73Å; L364-P371 HydrophobicContact CD1-CB 4.26Å; L364-P371 WeakPolarHBondContact CD2-O 3.34Å; P371-G374 PolarHBondContact O-N 2.91Å; P371-K375 PolarHBondContact O-N 3.47Å
372H94.8Very high96.1Very high23 Ų2320.9 Ų20.911%0.10611%0.106CC..Hα-helixtrans-71.4-41.2178.483.6-93.4000111.8E370 K375 M376 G510E370-H372 PolarHBondContact O-N 2.84Å; E370-H372 IonicContact OE2-CE1 2.97Å; E370-H372 PolarHBondContact OE2-CE1 3.09Å; E370-H372 IonicContact OE2-ND1 3.5Å; E370-H372 PolarHBondContact OE2-ND1 2.89Å; H372-K375 PolarHBondContact O-N 3Å; H372-M376 PolarHBondContact O-N 2.95Å; H372-G510 WeakPolarHBondContact CB-O 3.39Å; H372-G510 PolarHBondContact CD2-O 3.35Å; H372-G510 WeakPolarHBondContact O-CA 3.12Å
373L97.3Very high96.2Very high2 Ų215.7 Ų15.71%0.018%0.084CC..Hα-helixtrans-68.7-34.4172.1-59.2178.4000111.7V369 E370 M376 V377 L396 A397 M511V369-L373 HydrophobicContact CB-CB 4.21Å; V369-L373 HydrophobicContact CG2-CB 4.22Å; E370-L373 HydrophobicContact CB-CD1 4.39Å; E370-L373 HydrophobicContact CB-CG 4.41Å; E370-L373 PolarHBondContact O-N 3.39Å; L373-M376 HydrophobicContact CD2-CE 3.68Å; L373-M376 HydrophobicContact CD2-SD 4.37Å; L373-M376 VanDerWaalsContact O-CB 3.27Å; L373-M376 WeakPolarHBondContact O-CB 3.42Å; L373-M376 PolarHBondContact O-N 2.82Å; L373-V377 WeakPolarHBondContact O-CG2 3.23Å; L373-V377 PolarHBondContact O-N 2.66Å; L373-L396 HydrophobicContact CD1-CB 4.05Å; L373-L396 HydrophobicContact CD2-CB 4.1Å; L373-L396 HydrophobicContact CD2-CD1 3.86Å; L373-A397 HydrophobicContact CD1-CB 3.68Å; L373-M511 HydrophobicContact CD2-CE 3.93Å
374G97.6Very high96.3Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-59.5-46.6170.200000111.6E370 P371 M376 V377 L378E370-G374 PolarHBondContact O-N 3.1Å; P371-G374 PolarHBondContact O-N 2.91Å; G374-M376 PolarHBondContact O-N 2.85Å; G374-V377 PolarHBondContact O-N 3.48Å; G374-L378 WeakPolarHBondContact O-CG 3.35Å; G374-L378 PolarHBondContact O-N 2.79Å
375K97.1Very high96.3Very high13 Ų1314.3 Ų14.36%0.0578%0.077CC..Hα-helixtrans-61.6-43.5176.3-174171.6-178.7168.20111I348 D349 L360 L364 P371 H372 V377 L378 C379I348-K375 HydrophobicContact CB-CD 4.02Å; I348-K375 PolarHBondContact O-NZ 3.24Å; D349-K375 IonicContact OD2-NZ 3.71Å; L360-K375 HydrophobicContact CD2-CD 4.28Å; L364-K375 HydrophobicContact CD2-CB 4.27Å; P371-K375 PolarHBondContact O-N 3.47Å; H372-K375 PolarHBondContact O-N 3Å; K375-V377 VanDerWaalsContact C-N 3.32Å; K375-V377 PolarHBondContact O-N 3.47Å; K375-L378 PolarHBondContact O-N 3.09Å; K375-C379 WeakPolarHBondContact O-CB 3.48Å; K375-C379 PolarHBondContact O-N 2.81Å; K375-C379 PolarHBondContact O-SG 3.12Å
376M98.1Very high96.5Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-51.3-49.4173.5-157.2171.762.200112.3H372 L373 G374 A380 I389 I392 A393 A506 L507 M511H372-M376 PolarHBondContact O-N 2.95Å; L373-M376 HydrophobicContact CD2-CE 3.68Å; L373-M376 HydrophobicContact CD2-SD 4.37Å; L373-M376 VanDerWaalsContact O-CB 3.27Å; L373-M376 WeakPolarHBondContact O-CB 3.42Å; L373-M376 PolarHBondContact O-N 2.82Å; G374-M376 PolarHBondContact O-N 2.85Å; M376-A380 WeakPolarHBondContact O-CB 3.49Å; M376-A380 PolarHBondContact O-N 2.99Å; M376-I389 HydrophobicContact CE-CG2 4.27Å; M376-I389 HydrophobicContact CG-CD1 4.47Å; M376-I389 HydrophobicContact CG-CG2 3.96Å; M376-I392 HydrophobicContact CE-CG2 4.39Å; M376-A393 HydrophobicContact CE-CB 3.6Å; M376-A506 WeakPolarHBondContact CG-O 3.46Å; M376-L507 HydrophobicContact CE-CD2 4.5Å; M376-L507 HydrophobicContact CG-CD2 4.49Å; M376-L507 HydrophobicContact SD-CD2 3.62Å; M376-M511 HydrophobicContact SD-CE 3.83Å
377V98.6Very high96.6Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-69.8-41.2-178.2170.90000111.8L373 G374 K375 A380 V381 L386 I389 A393 L472 L476L373-V377 WeakPolarHBondContact O-CG2 3.23Å; L373-V377 PolarHBondContact O-N 2.66Å; G374-V377 PolarHBondContact O-N 3.48Å; K375-V377 VanDerWaalsContact C-N 3.32Å; K375-V377 PolarHBondContact O-N 3.47Å; V377-A380 WeakPolarHBondContact O-CB 3.32Å; V377-A380 PolarHBondContact O-N 2.78Å; V377-V381 PolarHBondContact O-N 2.96Å; V377-V381 VanDerWaalsContact O-N 3.08Å; V377-L386 HydrophobicContact CG1-CD1 4Å; V377-I389 HydrophobicContact CG2-CG2 4.1Å; V377-A393 HydrophobicContact CG2-CB 3.5Å; V377-A393 VanDerWaalsContact CG2-CB 3.5Å; V377-L472 HydrophobicContact CG2-CD2 4.38Å; V377-L476 HydrophobicContact CG1-CD1 3.7Å; V377-L476 HydrophobicContact CG1-CD2 4.14Å; V377-L476 HydrophobicContact CG1-CG 4.41Å
378L98Very high96.8Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-66.8-40176.8-67176.1000112L360 H363 L364 L367 G374 K375 A380 V381 V382 L476 F481 F658 I662L360-L378 HydrophobicContact CD1-CD1 3.71Å; H363-L378 HydrophobicContact CB-CD1 4Å; L364-L378 HydrophobicContact CD2-CD1 3.89Å; L367-L378 HydrophobicContact CD1-CD1 4.2Å; L367-L378 HydrophobicContact CD1-CD2 4.32Å; L367-L378 HydrophobicContact CD1-CG 4.08Å; G374-L378 WeakPolarHBondContact O-CG 3.35Å; G374-L378 PolarHBondContact O-N 2.79Å; K375-L378 PolarHBondContact O-N 3.09Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.46Å; L378-V381 PolarHBondContact O-N 2.97Å; L378-V382 PolarHBondContact O-N 3.25Å; L378-L476 HydrophobicContact CD2-CD2 3.93Å; L378-F481 HydrophobicContact CD2-CD1 4.22Å; L378-F481 HydrophobicContact CD2-CD2 3.72Å; L378-F481 HydrophobicContact CD2-CE1 4.08Å; L378-F481 HydrophobicContact CD2-CE2 3.56Å; L378-F481 HydrophobicContact CD2-CG 4.06Å; L378-F481 HydrophobicContact CD2-CZ 3.77Å; L378-F658 HydrophobicContact CB-CE2 4.5Å; L378-I662 HydrophobicContact CB-CD1 4.12Å; L378-I662 HydrophobicContact CD1-CD1 4.07Å
379C97.8Very high97.1Very high2 Ų27.5 Ų7.51%0.0144%0.037CC..Hα-helixtrans-59.3-40.7170.6-70.80000111.5K375 V381 V382 L383 A509 W654 F658K375-C379 WeakPolarHBondContact O-CB 3.48Å; K375-C379 PolarHBondContact O-N 2.81Å; K375-C379 PolarHBondContact O-SG 3.12Å; C379-V381 PolarHBondContact O-N 3.4Å; C379-V382 PolarHBondContact O-N 3.36Å; C379-L383 WeakPolarHBondContact O-CB 3.39Å; C379-L383 WeakPolarHBondContact O-CG 3.23Å; C379-L383 PolarHBondContact O-N 3.35Å; C379-A509 HydrophobicContact CB-CB 4.06Å; C379-W654 HydrophobicContact CB-CZ2 4.48Å; C379-F658 HydrophobicContact CB-CE2 4.35Å; C379-F658 WeakPolarHBondContact SG-CE2 3.35Å
380A98.3Very high97.2Very high0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-66.9-30.517800000114.2M376 V377 L378 K384 C385 I389 A506M376-A380 WeakPolarHBondContact O-CB 3.49Å; M376-A380 PolarHBondContact O-N 2.99Å; V377-A380 WeakPolarHBondContact O-CB 3.32Å; V377-A380 PolarHBondContact O-N 2.78Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.46Å; A380-K384 PolarHBondContact O-N 3.43Å; A380-K384 VanDerWaalsContact O-N 3.08Å; A380-C385 PolarHBondContact O-N 3.07Å; A380-I389 HydrophobicContact CB-CB 3.58Å; A380-I389 HydrophobicContact CB-CG1 3.69Å; A380-I389 HydrophobicContact CB-CG2 3.62Å; A380-A506 HydrophobicContact CB-CB 4Å
381V97.5Very high97.4Very high10 Ų103.1 Ų3.16%0.0612%0.016CC..Hα-helixtrans-62.3-45.6170175.80000110.5V377 L378 C379 K384 L386 L476 F481 V493V377-V381 PolarHBondContact O-N 2.96Å; V377-V381 VanDerWaalsContact O-N 3.08Å; L378-V381 PolarHBondContact O-N 2.97Å; C379-V381 PolarHBondContact O-N 3.4Å; V381-K384 PolarHBondContact O-N 3.32Å; V381-L386 HydrophobicContact CG2-CD1 3.91Å; V381-L386 HydrophobicContact CG2-CD2 4.31Å; V381-L476 HydrophobicContact CG2-CD2 4.44Å; V381-F481 HydrophobicContact CG1-CB 4.23Å; V381-F481 HydrophobicContact CG1-CD1 4.24Å; V381-F481 HydrophobicContact CG2-CB 4.47Å; V381-V493 HydrophobicContact CG1-CB 4.5Å; V381-V493 HydrophobicContact CG1-CG1 4.03Å
382V97.1Very high97.5Very high1 Ų13 Ų31%0.0062%0.015CC..Hα-helixtrans-73.2-38-177.9-175.40000111.8L378 C379 K384 W654 L657 F658 R661 W669 I677L378-V382 PolarHBondContact O-N 3.25Å; C379-V382 PolarHBondContact O-N 3.36Å; V382-K384 PolarHBondContact O-N 3.03Å; V382-W654 HydrophobicContact CB-CH2 4.05Å; V382-W654 HydrophobicContact CB-CZ3 4.17Å; V382-W654 HydrophobicContact CG1-CH2 4.03Å; V382-W654 HydrophobicContact CG1-CZ3 3.68Å; V382-L657 HydrophobicContact CG1-CD2 4.31Å; V382-L657 HydrophobicContact CG1-CG 4.07Å; V382-F658 HydrophobicContact CB-CD2 4.46Å; V382-F658 HydrophobicContact CG2-CD2 4.05Å; V382-F658 HydrophobicContact CG2-CE2 4.49Å; V382-R661 HydrophobicContact CG1-CB 4.46Å; V382-R661 HydrophobicContact CG1-CG 3.95Å; V382-R661 HydrophobicContact CG2-CB 3.62Å; V382-R661 HydrophobicContact CG2-CG 3.95Å; V382-W669 HydrophobicContact CG1-CH2 4.02Å; V382-W669 WeakPolarHBondContact O-CH2 3.46Å; V382-I677 HydrophobicContact CG1-CD1 4.49Å; V382-I677 WeakPolarHBondContact O-CD1 2.89Å
383L97.9Very high97.7Very high2 Ų21.9 Ų1.91%0.011%0.01CC..THydrogen-bonded Turntrans-72.9-2.9171.9-71.1168.9000113.5C379 C385 N496 V502 A505 A506 F591 W654 I677 L680C379-L383 WeakPolarHBondContact O-CB 3.39Å; C379-L383 WeakPolarHBondContact O-CG 3.23Å; C379-L383 PolarHBondContact O-N 3.35Å; L383-C385 VanDerWaalsContact C-N 3.27Å; L383-C385 PolarHBondContact O-N 2.9Å; L383-N496 WeakPolarHBondContact O-CB 3.46Å; L383-N496 PolarHBondContact O-ND2 3.38Å; L383-V502 HydrophobicContact CB-CG1 3.93Å; L383-V502 HydrophobicContact CD2-CG1 4.39Å; L383-A505 HydrophobicContact CD1-CB 4.02Å; L383-A506 HydrophobicContact CD1-CB 3.92Å; L383-F591 HydrophobicContact CD1-CE1 3.89Å; L383-F591 HydrophobicContact CD1-CZ 4.43Å; L383-F591 HydrophobicContact CD2-CE1 3.96Å; L383-F591 HydrophobicContact CD2-CZ 3.97Å; L383-F591 HydrophobicContact CG-CE1 4.39Å; L383-W654 HydrophobicContact CD1-CH2 4.23Å; L383-W654 HydrophobicContact CD2-CE3 4.23Å; L383-W654 HydrophobicContact CD2-CH2 4Å; L383-W654 HydrophobicContact CD2-CZ3 3.65Å; L383-W654 HydrophobicContact CG-CH2 3.68Å; L383-W654 HydrophobicContact CG-CZ3 3.8Å; L383-I677 HydrophobicContact CD2-CD1 4.4Å; L383-L680 HydrophobicContact CD2-CD1 4.46Å
384K97.4Very high97.7Very high4 Ų41.8 Ų1.82%0.0171%0.009CC..THydrogen-bonded Turntrans5637.1-178.2-58.5-176176.1-1670113.3A380 V381 V382 D492 V493 N494 L495 N496 E674A380-K384 PolarHBondContact O-N 3.43Å; A380-K384 VanDerWaalsContact O-N 3.08Å; V381-K384 PolarHBondContact O-N 3.32Å; V382-K384 PolarHBondContact O-N 3.03Å; K384-D492 WeakPolarHBondContact CB-O 3.3Å; K384-D492 WeakPolarHBondContact CD-O 3.3Å; K384-D492 WeakPolarHBondContact CE-OD1 3.44Å; K384-D492 WeakPolarHBondContact CG-O 3.23Å; K384-D492 IonicContact NZ-OD1 3.75Å; K384-D492 PolarHBondContact NZ-OD1 3.09Å; K384-D492 IonicContact NZ-OD2 3.91Å; K384-V493 CarbonylContact C-O 3.45Å; K384-V493 WeakPolarHBondContact CA-O 3.44Å; K384-V493 CarbonylContact O-C 3.49Å; K384-N494 CarbonylContact O-C 3.49Å; K384-N494 WeakPolarHBondContact O-CA 3.48Å; K384-N494 PolarHBondContact O-N 3.13Å; K384-L495 HydrophobicContact CB-CB 4.42Å; K384-L495 HydrophobicContact CD-CD1 4.16Å; K384-L495 PolarHBondContact O-N 3.15Å; K384-L495 VanDerWaalsContact O-N 3.15Å; K384-N496 WeakPolarHBondContact O-CA 3.39Å; K384-N496 PolarHBondContact O-N 3.22Å; K384-E674 IonicContact NZ-OE1 2.72Å; K384-E674 PolarHBondContact NZ-OE1 3.47Å; K384-E674 IonicContact NZ-OE2 3.82Å; K384-E674 PolarHBondContact NZ-OE2 3.39Å
385C97.8Very high97.6Very high0 Ų01.8 Ų1.80%01%0.009CC..  trans-123.432.8-178.465.90000113.4A380 L383 P388 V493 N496 S497 V502 V503A380-C385 PolarHBondContact O-N 3.07Å; L383-C385 VanDerWaalsContact C-N 3.27Å; L383-C385 PolarHBondContact O-N 2.9Å; C385-P388 WeakPolarHBondContact O-CD 3.32Å; C385-P388 WeakPolarHBondContact O-CG 3.39Å; C385-V493 PolarHBondContact N-O 2.85Å; C385-N496 HydrophobicContact CB-CB 4.47Å; C385-S497 VanDerWaalsContact CA-OG 3.23Å; C385-S497 WeakPolarHBondContact CA-OG 3.46Å; C385-V502 HydrophobicContact CB-CG1 4.07Å; C385-V503 HydrophobicContact CB-CG2 3.96Å
386L97.9Very high97.6Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-61.8-49.5-164.3179.561.6000115.4V377 V381 I389 L390 L473 L476 V482 I490 V493 N494 S497V377-L386 HydrophobicContact CG1-CD1 4Å; V381-L386 HydrophobicContact CG2-CD1 3.91Å; V381-L386 HydrophobicContact CG2-CD2 4.31Å; L386-I389 PolarHBondContact O-N 2.78Å; L386-L390 HydrophobicContact CD1-CB 4.02Å; L386-L390 HydrophobicContact CG-CB 4.3Å; L386-L390 HydrophobicContact CG-CD2 4.36Å; L386-L390 WeakPolarHBondContact O-CB 3.2Å; L386-L390 PolarHBondContact O-N 2.64Å; L386-L473 HydrophobicContact CD2-CD1 4.28Å; L386-L476 HydrophobicContact CD1-CD1 3.93Å; L386-L476 HydrophobicContact CD2-CD1 4.2Å; L386-V482 HydrophobicContact CD2-CG2 3.74Å; L386-I490 HydrophobicContact CD2-CD1 4.27Å; L386-V493 HydrophobicContact CB-CB 4.48Å; L386-V493 HydrophobicContact CB-CG2 4.17Å; L386-V493 VanDerWaalsContact CB-O 3.29Å; L386-V493 WeakPolarHBondContact CB-O 3.49Å; L386-V493 HydrophobicContact CD2-CG2 3.74Å; L386-V493 PolarHBondContact N-O 3.36Å; L386-V493 VanDerWaalsContact N-O 3.09Å; L386-N494 PolarHBondContact N-OD1 2.86Å; L386-S497 PolarHBondContact N-OG 3.26Å
387D96.1Very high97.4Very high3 Ų34.3 Ų4.32%0.0163%0.028CC..Hα-helixtrans-59-45-168-93.125.7000115.1T391 R469 N494 R702 P703D387-T391 PolarHBondContact O-N 2.94Å; D387-T391 PolarHBondContact O-OG1 3.49Å; D387-R469 PolarHBondContact O-NH1 3.45Å; D387-R469 IonicContact OD1-NH2 2.61Å; D387-R469 PolarHBondContact OD1-NH2 2.62Å; D387-R469 IonicContact OD2-NH2 2.82Å; D387-R469 PolarHBondContact OD2-NH2 3.29Å; D387-N494 VanDerWaalsContact CB-OD1 3.24Å; D387-N494 WeakPolarHBondContact CB-OD1 3.39Å; D387-N494 PolarHBondContact N-OD1 2.83Å; D387-N494 PolarHBondContact OD1-ND2 2.97Å; D387-R702 WeakPolarHBondContact OD2-CA 3.26Å; D387-R702 WeakPolarHBondContact OD2-CB 3.28Å; D387-R702 VanDerWaalsContact OD2-CD 3.25Å; D387-R702 WeakPolarHBondContact OD2-CD 3.44Å; D387-R702 WeakPolarHBondContact OD2-CG 3.36Å; D387-R702 IonicContact OD2-NE 3.18Å; D387-P703 WeakPolarHBondContact OD2-CD 3.16Å
388P97.6Very high97.1Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-65.1-46.5173.823.4-33.1000112.2C385 L390 T391 I392 L433 V503C385-P388 WeakPolarHBondContact O-CD 3.32Å; C385-P388 WeakPolarHBondContact O-CG 3.39Å; P388-L390 PolarHBondContact O-N 3.02Å; P388-T391 WeakPolarHBondContact O-CB 3.45Å; P388-T391 PolarHBondContact O-N 3.02Å; P388-T391 VanDerWaalsContact O-N 3.12Å; P388-I392 WeakPolarHBondContact O-CG1 3.5Å; P388-I392 PolarHBondContact O-N 2.89Å; P388-L433 HydrophobicContact CB-CD1 3.97Å; P388-L433 HydrophobicContact CB-CD2 3.61Å; P388-L433 HydrophobicContact CB-CG 4.46Å; P388-V503 HydrophobicContact CB-CG1 4.3Å; P388-V503 HydrophobicContact CB-CG2 4.3Å; P388-V503 HydrophobicContact CG-CG1 4.31Å; P388-V503 HydrophobicContact CG-CG2 3.56Å
389I98.4Very high96.6Very high0 Ų012.8 Ų12.80%06%0.061CC..Hα-helixtrans-62.5-44.3-179.5-68.3-69000112.1M376 V377 A380 L386 T391 I392 A393 V503 A506 L507M376-I389 HydrophobicContact CE-CG2 4.27Å; M376-I389 HydrophobicContact CG-CD1 4.47Å; M376-I389 HydrophobicContact CG-CG2 3.96Å; V377-I389 HydrophobicContact CG2-CG2 4.1Å; A380-I389 HydrophobicContact CB-CB 3.58Å; A380-I389 HydrophobicContact CB-CG1 3.69Å; A380-I389 HydrophobicContact CB-CG2 3.62Å; L386-I389 PolarHBondContact O-N 2.78Å; I389-T391 PolarHBondContact O-N 3.3Å; I389-I392 PolarHBondContact O-N 3.09Å; I389-I392 VanDerWaalsContact O-N 3.12Å; I389-A393 WeakPolarHBondContact O-CB 3.46Å; I389-A393 PolarHBondContact O-N 2.98Å; I389-V503 HydrophobicContact CD1-CG1 3.69Å; I389-V503 HydrophobicContact CG1-CG1 4Å; I389-A506 HydrophobicContact CD1-CB 3.72Å; I389-A506 HydrophobicContact CG1-CB 3.76Å; I389-L507 HydrophobicContact CD1-CD2 3.47Å; I389-L507 VanDerWaalsContact CD1-CD2 3.47Å; I389-L507 HydrophobicContact CD1-CG 3.73Å
390L97.2Very high96.2Very high0 Ų014.9 Ų14.90%07%0.072CC..Hα-helixtrans-60.9-30.1177.1174.862.9000112L386 P388 C394 R469 L472 L473L386-L390 HydrophobicContact CD1-CB 4.02Å; L386-L390 HydrophobicContact CG-CB 4.3Å; L386-L390 HydrophobicContact CG-CD2 4.36Å; L386-L390 WeakPolarHBondContact O-CB 3.2Å; L386-L390 PolarHBondContact O-N 2.64Å; P388-L390 PolarHBondContact O-N 3.02Å; L390-C394 PolarHBondContact O-N 2.83Å; L390-C394 PolarHBondContact O-SG 3.22Å; L390-R469 HydrophobicContact CD2-CG 4.2Å; L390-R469 HydrophobicContact CG-CG 4.12Å; L390-L472 HydrophobicContact CD1-CB 3.95Å; L390-L472 HydrophobicContact CD1-CD2 3.62Å; L390-L472 HydrophobicContact CD1-CG 3.66Å; L390-L473 HydrophobicContact CD2-CB 4.02Å; L390-L473 HydrophobicContact CD2-CD1 4.3Å
391T97.4Very high96Very high2 Ų214.9 Ų14.91%0.0127%0.072CC..Hα-helixtrans-75.3-42.7173.8-52.10000111.5D387 P388 I389 T395 L433 F436 R469D387-T391 PolarHBondContact O-N 2.94Å; D387-T391 PolarHBondContact O-OG1 3.49Å; P388-T391 WeakPolarHBondContact O-CB 3.45Å; P388-T391 PolarHBondContact O-N 3.02Å; P388-T391 VanDerWaalsContact O-N 3.12Å; I389-T391 PolarHBondContact O-N 3.3Å; T391-T395 PolarHBondContact O-N 2.94Å; T391-T395 PolarHBondContact O-OG1 3.32Å; T391-L433 HydrophobicContact CG2-CD1 4.19Å; T391-F436 HydrophobicContact CG2-CB 3.81Å; T391-F436 HydrophobicContact CG2-CD1 3.44Å; T391-F436 VanDerWaalsContact CG2-CD1 3.44Å; T391-F436 HydrophobicContact CG2-CD2 4.29Å; T391-F436 HydrophobicContact CG2-CE1 4.06Å; T391-F436 HydrophobicContact CG2-CG 3.57Å; T391-R469 PolarHBondContact OG1-NH1 3.35Å
392I98.2Very high95.8Very high0 Ų015.6 Ų15.60%07%0.074CC..Hα-helixtrans-63.7-49.5177.1-66.6161.3000110.3M376 P388 I389 C394 T395 L396 H429 L433 L507M376-I392 HydrophobicContact CE-CG2 4.39Å; P388-I392 WeakPolarHBondContact O-CG1 3.5Å; P388-I392 PolarHBondContact O-N 2.89Å; I389-I392 PolarHBondContact O-N 3.09Å; I389-I392 VanDerWaalsContact O-N 3.12Å; I392-C394 PolarHBondContact O-N 2.9Å; I392-T395 WeakPolarHBondContact O-CA 3.24Å; I392-T395 WeakPolarHBondContact O-CB 3.4Å; I392-T395 PolarHBondContact O-N 3.4Å; I392-L396 HydrophobicContact CG2-CD1 3.97Å; I392-L396 HydrophobicContact CG2-CG 4.28Å; I392-L396 WeakPolarHBondContact O-CG 3.36Å; I392-L396 PolarHBondContact O-N 3.36Å; I392-H429 HydrophobicContact CD1-CB 4.24Å; I392-H429 HydrophobicContact CG2-CB 4.26Å; I392-L433 HydrophobicContact CD1-CB 4.32Å; I392-L433 HydrophobicContact CG1-CB 4.12Å; I392-L507 HydrophobicContact CD1-CD2 4.24Å; I392-L507 HydrophobicContact CG2-CD2 4.02Å
393A98.1Very high95.3Very high0 Ų016 Ų160%08%0.077CC..Hα-helixtrans-55.4-48.5178.700000112.6M376 V377 I389 T395 L396 A397M376-A393 HydrophobicContact CE-CB 3.6Å; V377-A393 HydrophobicContact CG2-CB 3.5Å; V377-A393 VanDerWaalsContact CG2-CB 3.5Å; I389-A393 WeakPolarHBondContact O-CB 3.46Å; I389-A393 PolarHBondContact O-N 2.98Å; A393-T395 PolarHBondContact O-N 3Å; A393-L396 PolarHBondContact O-N 3.13Å; A393-A397 WeakPolarHBondContact O-CB 3.21Å; A393-A397 PolarHBondContact O-N 2.95Å
394C97.3Very high94.5Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-68-19.5176.9-66.10000113.7L390 I392 I465 M468 R469L390-C394 PolarHBondContact O-N 2.83Å; L390-C394 PolarHBondContact O-SG 3.22Å; I392-C394 PolarHBondContact O-N 2.9Å; C394-I465 HydrophobicContact CB-CG2 4.07Å; C394-M468 HydrophobicContact CB-CB 4.12Å; C394-R469 VanDerWaalsContact SG-CA 3.54Å; C394-R469 PolarHBondContact SG-N 3.15Å; C394-R469 VanDerWaalsContact SG-N 3.44Å
395T96.4Very high93.7Very high1 Ų118.6 Ų18.61%0.0069%0.091CC..Hα-helixtrans-79.5-46.3173.9-52.60000111T391 I392 A393 Y398 R399 P401 L432 I465T391-T395 PolarHBondContact O-N 2.94Å; T391-T395 PolarHBondContact O-OG1 3.32Å; I392-T395 WeakPolarHBondContact O-CA 3.24Å; I392-T395 WeakPolarHBondContact O-CB 3.4Å; I392-T395 PolarHBondContact O-N 3.4Å; A393-T395 PolarHBondContact O-N 3Å; T395-Y398 PolarHBondContact O-N 3.15Å; T395-R399 CarbonylContact O-C 3.52Å; T395-R399 PolarHBondContact O-N 3.22Å; T395-P401 HydrophobicContact CG2-CG 4.21Å; T395-L432 HydrophobicContact CG2-CB 4.16Å; T395-L432 HydrophobicContact CG2-CD1 3.95Å; T395-L432 HydrophobicContact CG2-CD2 3.92Å; T395-L432 HydrophobicContact CG2-CG 4.22Å; T395-I465 HydrophobicContact CG2-CD1 3.86Å
396L96.1Very high92.4Very high33 Ų3320.2 Ų20.217%0.17310%0.104CC..Hα-helixtrans-65.8-43.7177.7-60.8179.2000111.9L373 I392 A393 Y398 L432 M511 D566 C579L373-L396 HydrophobicContact CD1-CB 4.05Å; L373-L396 HydrophobicContact CD2-CB 4.1Å; L373-L396 HydrophobicContact CD2-CD1 3.86Å; I392-L396 HydrophobicContact CG2-CD1 3.97Å; I392-L396 HydrophobicContact CG2-CG 4.28Å; I392-L396 WeakPolarHBondContact O-CG 3.36Å; I392-L396 PolarHBondContact O-N 3.36Å; A393-L396 PolarHBondContact O-N 3.13Å; L396-Y398 PolarHBondContact O-N 3.07Å; L396-L432 HydrophobicContact CD2-CD1 3.76Å; L396-M511 HydrophobicContact CD1-CE 3.43Å; L396-M511 VanDerWaalsContact CD1-CE 3.43Å; L396-D566 HydrophobicContact CD2-CB 4.37Å; L396-C579 HydrophobicContact CD2-CB 4.41Å
397A94.5Very high91.4Very high33 Ų3324.9 Ų24.927%0.27313%0.126SC..THydrogen-bonded Turntrans-66.3-0.1179.200000115.2V369 L373 A393 M468V369-A397 HydrophobicContact CB-CB 4.22Å; V369-A397 HydrophobicContact CG1-CB 3.73Å; L373-A397 HydrophobicContact CD1-CB 3.68Å; A393-A397 WeakPolarHBondContact O-CB 3.21Å; A393-A397 PolarHBondContact O-N 2.95Å; A397-M468 HydrophobicContact CB-CE 4.06Å
398Y92.1Very high90.4Very high108 Ų10827.4 Ų27.442%0.42414%0.144SC..THydrogen-bonded Turntrans-133.9-69.2-179.3-179.2-115.8000113T395 L396 T461 M464 M468T395-Y398 PolarHBondContact O-N 3.15Å; L396-Y398 PolarHBondContact O-N 3.07Å; Y398-T461 HydrophobicContact CD1-CG2 4.02Å; Y398-T461 HydrophobicContact CE1-CG2 3.97Å; Y398-M464 HydrophobicContact CD1-CB 4.16Å; Y398-M464 HydrophobicContact CD1-CG 3.97Å; Y398-M464 HydrophobicContact CD2-CG 4.19Å; Y398-M464 HydrophobicContact CE1-CB 3.75Å; Y398-M464 HydrophobicContact CE1-CG 3.71Å; Y398-M464 HydrophobicContact CE2-CG 3.96Å; Y398-M464 HydrophobicContact CG-CG 4.21Å; Y398-M468 HydrophobicContact CD2-SD 4.24Å; Y398-M468 HydrophobicContact CG-SD 3.99Å
399R86.8Confident89.7Confident69 Ų6931.4 Ų31.426%0.2617%0.172SC..  trans-169.5143.2-175.6-153.5-169.4-166.9129.119111.9S195 D196 T395 T461S195-R399 VanDerWaalsContact O-CZ 3.26Å; S195-R399 PolarHBondContact O-NH1 2.78Å; S195-R399 PolarHBondContact O-NH2 3.01Å; S195-R399 PolarHBondContact OG-NH2 3.12Å; D196-R399 VanDerWaalsContact N-NH2 3.2Å; D196-R399 IonicContact OD1-CZ 3.6Å; D196-R399 IonicContact OD1-NE 3.7Å; D196-R399 PolarHBondContact OD1-NE 3.32Å; D196-R399 IonicContact OD1-NH2 2.68Å; D196-R399 PolarHBondContact OD1-NH2 3.35Å; D196-R399 IonicContact OD2-NH2 2.61Å; D196-R399 PolarHBondContact OD2-NH2 3.35Å; T395-R399 CarbonylContact O-C 3.52Å; T395-R399 PolarHBondContact O-N 3.22Å; R399-T461 HydrophobicContact CB-CG2 4.05Å
400D90.6Very high89Confident46 Ų4634.3 Ų34.325%0.24619%0.186CC..  trans-54.5124.2160.3-163.5-44.3000110F402 R418D400-F402 VanDerWaalsContact C-N 3.3Å; D400-F402 WeakPolarHBondContact OD1-CB 3.21Å; D400-F402 WeakPolarHBondContact OD1-CD2 3.1Å; D400-F402 PolarHBondContact OD1-N 2.79Å; D400-R418 VanDerWaalsContact CG-NH1 3.3Å; D400-R418 IonicContact OD1-NH1 3.58Å; D400-R418 PolarHBondContact OD1-NH1 3.19Å; D400-R418 IonicContact OD2-CZ 3.81Å; D400-R418 VanDerWaalsContact OD2-CZ 3.26Å; D400-R418 IonicContact OD2-NH1 2.91Å; D400-R418 PolarHBondContact OD2-NH1 2.92Å; D400-R418 IonicContact OD2-NH2 2.76Å; D400-R418 PolarHBondContact OD2-NH2 3.3Å
401P93.3Very high88.3Confident1 Ų138.6 Ų38.61%0.00620%0.204CC..  trans-80.7-10.1-177.133.1-35.4000112.9T395 T403 L432 L457 S458 T461 M462 I465T395-P401 HydrophobicContact CG2-CG 4.21Å; P401-T403 PolarHBondContact O-N 3.5Å; P401-L432 HydrophobicContact CG-CD2 4.25Å; P401-L457 HydrophobicContact CB-CD2 4.32Å; P401-L457 HydrophobicContact CG-CD2 4.35Å; P401-L457 CarbonylContact O-C 3.09Å; P401-L457 VanDerWaalsContact O-CA 3.32Å; P401-L457 WeakPolarHBondContact O-CA 3.46Å; P401-S458 PolarHBondContact O-N 3.46Å; P401-T461 HydrophobicContact CB-CG2 4Å; P401-M462 HydrophobicContact CB-CE 3.9Å; P401-M462 HydrophobicContact CB-SD 4Å; P401-M462 HydrophobicContact CG-CE 4.08Å; P401-M462 HydrophobicContact CG-SD 4.45Å; P401-I465 HydrophobicContact CB-CD1 4.35Å
402F93Very high87.7Confident24 Ų2447.6 Ų47.611%0.10524%0.238CC..BIsolated β-bridgetrans-77.9109.1178-69.1-88.5000110.6D400 R418 F421 L432 A435 F456 L457D400-F402 VanDerWaalsContact C-N 3.3Å; D400-F402 WeakPolarHBondContact OD1-CB 3.21Å; D400-F402 WeakPolarHBondContact OD1-CD2 3.1Å; D400-F402 PolarHBondContact OD1-N 2.79Å; F402-R418 HydrophobicContact CD1-CB 4.06Å; F402-R418 HydrophobicContact CD1-CG 4.32Å; F402-R418 HydrophobicContact CD2-CG 4.14Å; F402-R418 VanDerWaalsContact CD2-NH1 3.3Å; F402-R418 HydrophobicContact CE1-CB 3.82Å; F402-R418 HydrophobicContact CE1-CG 4.07Å; F402-R418 HydrophobicContact CE2-CG 3.89Å; F402-R418 HydrophobicContact CG-CG 4.35Å; F402-R418 HydrophobicContact CZ-CB 4.08Å; F402-R418 HydrophobicContact CZ-CG 3.85Å; F402-F421 AromaticContact CE1-CD2 3.93Å; F402-F421 HydrophobicContact CE1-CD2 3.93Å; F402-F421 HydrophobicContact CE1-CE2 4.11Å; F402-F421 AromaticContact CZ-CD2 3.77Å; F402-F421 HydrophobicContact CZ-CD2 3.77Å; F402-F421 HydrophobicContact CZ-CE2 4.29Å; F402-L432 HydrophobicContact CD2-CD2 4.4Å; F402-L432 HydrophobicContact CE2-CD2 4.31Å; F402-A435 HydrophobicContact CE2-CB 4.14Å; F402-A435 HydrophobicContact CZ-CB 3.8Å; F402-F456 CarbonylContact C-O 3.41Å; F402-F456 VanDerWaalsContact CA-O 3.31Å; F402-F456 WeakPolarHBondContact CA-O 3.33Å; F402-L457 HydrophobicContact CD1-CD2 3.49Å; F402-L457 VanDerWaalsContact CD1-CD2 3.49Å; F402-L457 HydrophobicContact CD1-CG 4.4Å; F402-L457 HydrophobicContact CD2-CD2 4.07Å; F402-L457 HydrophobicContact CE1-CD2 3.57Å; F402-L457 HydrophobicContact CE1-CG 4.39Å; F402-L457 HydrophobicContact CE2-CD2 4.14Å; F402-L457 HydrophobicContact CG-CD2 3.77Å; F402-L457 HydrophobicContact CZ-CD2 3.91Å
403T87.7Confident87.2Confident10 Ų1049.6 Ų49.66%0.06125%0.254CS..PPolyproline II helixtrans-71.3144.117953.90000111.4D196 Q198 P401 F456D196-T403 WeakPolarHBondContact O-CA 3.36Å; D196-T403 VanDerWaalsContact O-CB 3.32Å; D196-T403 WeakPolarHBondContact O-CB 3.48Å; D196-T403 WeakPolarHBondContact O-CG2 3.36Å; Q198-T403 HydrophobicContact CG-CG2 4.03Å; P401-T403 PolarHBondContact O-N 3.5Å; T403-F456 PolarHBondContact N-O 3.04Å; T403-F456 VanDerWaalsContact OG1-C 3.27Å; T403-F456 PolarHBondContact OG1-O 3.25Å; T403-F456 VanDerWaalsContact OG1-O 3.11Å
404L80.3Confident86.7Confident52 Ų5250.3 Ų50.327%0.27226%0.26SS..PPolyproline II helixtrans-66.4129.1162.6-62.6176.1000108.3Y164 D196Y164-L404 HydrophobicContact CD1-CD1 4.17Å; Y164-L404 HydrophobicContact CD2-CB 4.01Å; Y164-L404 HydrophobicContact CD2-CD1 3.57Å; Y164-L404 HydrophobicContact CD2-CG 4.41Å; Y164-L404 HydrophobicContact CE2-CB 3.64Å; Y164-L404 HydrophobicContact CE2-CD1 4.03Å; Y164-L404 HydrophobicContact CE2-CG 4.41Å; Y164-L404 HydrophobicContact CG-CD1 3.65Å; D196-L404 HydrophobicContact CB-CD1 4.34Å; D196-L404 HydrophobicContact CB-CG 4.28Å; D196-L404 PolarHBondContact O-N 2.64Å
405P80.1Confident86.2Confident8 Ų853.1 Ų53.15%0.05228%0.275CS..PPolyproline II helixtrans-64.6158.6175.328.2-33.8000110Y164 Q410 A414 F456Y164-P405 WeakPolarHBondContact CE2-O 3.42Å; Y164-P405 PolarHBondContact OH-O 3.04Å; P405-Q410 HydrophobicContact CB-CB 3.75Å; P405-Q410 HydrophobicContact CG-CB 4.16Å; P405-A414 HydrophobicContact CG-CB 4.34Å; P405-F456 HydrophobicContact CB-CD1 3.98Å; P405-F456 HydrophobicContact CB-CE1 3.98Å
406A71.9Confident85.8Confident34 Ų3457.8 Ų57.828%0.28130%0.297SS..SBendtrans-67-59.7168.800000109.9R171 M197R171-A406 PolarHBondContact NH1-O 3.27Å; R171-A406 PolarHBondContact NH2-O 3.13Å; M197-A406 HydrophobicContact CE-CB 4.34Å
407E76.1Confident85.5Confident99 Ų9956.3 Ų56.346%0.46329%0.289SS..SBendtrans-72.7137.8-173.4-65.8165.8-145.900113.3S409 Q410E407-S409 VanDerWaalsContact C-N 3.29Å; E407-S409 WeakPolarHBondContact CB-OG 3.37Å; E407-S409 PolarHBondContact O-N 2.81Å; E407-S409 PolarHBondContact OE2-OG 3.26Å; E407-S409 VanDerWaalsContact OE2-OG 3.13Å; E407-Q410 HydrophobicContact CB-CB 4.44Å; E407-Q410 HydrophobicContact CB-CG 3.98Å; E407-Q410 PolarHBondContact O-N 3.37Å; E407-Q410 VanDerWaalsContact O-N 3.17Å; E407-Q410 PolarHBondContact OE1-NE2 3.01Å; E407-Q410 VanDerWaalsContact OE1-NE2 3.12Å; E407-Q410 PolarHBondContact OE2-NE2 3.11Å
408S75.8Confident85.4Confident56 Ų5655.3 Ų55.339%0.39228%0.278SS..G310 helixtrans-62-34.8175.343.10000112.5D172 Q410 K411D172-S408 WeakPolarHBondContact OD2-CB 3.33Å; D172-S408 PolarHBondContact OD2-OG 2.96Å; S408-Q410 VanDerWaalsContact C-N 3.27Å; S408-Q410 PolarHBondContact O-N 2.78Å; S408-K411 WeakPolarHBondContact O-CB 3.4Å; S408-K411 PolarHBondContact O-N 2.68Å
409S81.6Confident85.3Confident83 Ų8353.9 Ų53.958%0.5827%0.274SS*.G310 helixtrans-53.6-39.7172610000113.2E407 K411E407-S409 VanDerWaalsContact C-N 3.29Å; E407-S409 WeakPolarHBondContact CB-OG 3.37Å; E407-S409 PolarHBondContact O-N 2.81Å; E407-S409 PolarHBondContact OE2-OG 3.26Å; E407-S409 VanDerWaalsContact OE2-OG 3.13Å; S409-K411 PolarHBondContact O-N 3.45Å
410Q85.3Confident85.5Confident62 Ų6259.4 Ų59.429%0.2930%0.295SS..G310 helixtrans-81.5-12.1-173.2-62.6176.81700113.1P405 E407 S408 R412 A413 A414 F456P405-Q410 HydrophobicContact CB-CB 3.75Å; P405-Q410 HydrophobicContact CG-CB 4.16Å; E407-Q410 HydrophobicContact CB-CB 4.44Å; E407-Q410 HydrophobicContact CB-CG 3.98Å; E407-Q410 PolarHBondContact O-N 3.37Å; E407-Q410 VanDerWaalsContact O-N 3.17Å; E407-Q410 PolarHBondContact OE1-NE2 3.01Å; E407-Q410 VanDerWaalsContact OE1-NE2 3.12Å; E407-Q410 PolarHBondContact OE2-NE2 3.11Å; S408-Q410 VanDerWaalsContact C-N 3.27Å; S408-Q410 PolarHBondContact O-N 2.78Å; Q410-R412 PolarHBondContact O-N 2.91Å; Q410-R412 VanDerWaalsContact O-N 3.11Å; Q410-A413 WeakPolarHBondContact O-CA 3.36Å; Q410-A413 WeakPolarHBondContact O-CB 3.4Å; Q410-A413 PolarHBondContact O-N 3.41Å; Q410-A414 PolarHBondContact O-N 3.2Å; Q410-F456 HydrophobicContact CB-CE1 3.99Å; Q410-F456 HydrophobicContact CB-CZ 4.24Å
411K81.5Confident85.7Confident89 Ų8958.3 Ų58.339%0.38729%0.288SS..Hα-helixtrans-54.5-34.3-178.9-152.8172.5-168.9176.30112.1D165 S408 S409 L415D165-K411 IonicContact OD1-NZ 3.82Å; D165-K411 PolarHBondContact OD1-NZ 2.64Å; S408-K411 WeakPolarHBondContact O-CB 3.4Å; S408-K411 PolarHBondContact O-N 2.68Å; S409-K411 PolarHBondContact O-N 3.45Å; K411-L415 WeakPolarHBondContact O-CG 3.29Å; K411-L415 PolarHBondContact O-N 3.07Å
412R84.4Confident85.4Confident192 Ų19258.6 Ų58.673%0.72529%0.29SS*.Hα-helixtrans-73.8-38.4174-173179.9-68.3144.2-0.1113.2Q410 L415 Q416Q410-R412 PolarHBondContact O-N 2.91Å; Q410-R412 VanDerWaalsContact O-N 3.11Å; R412-L415 PolarHBondContact O-N 3.42Å; R412-Q416 WeakPolarHBondContact O-CG 3.5Å; R412-Q416 PolarHBondContact O-N 3.21Å
413A88.8Confident84.9Confident42 Ų4260 Ų6035%0.34730%0.303SS..Hα-helixtrans-68.2-38.5178.800000111.7Q410 Q416 S417 F456Q410-A413 WeakPolarHBondContact O-CA 3.36Å; Q410-A413 WeakPolarHBondContact O-CB 3.4Å; Q410-A413 PolarHBondContact O-N 3.41Å; A413-Q416 PolarHBondContact O-N 2.84Å; A413-S417 PolarHBondContact O-N 3.44Å; A413-F456 HydrophobicContact CB-CE2 4Å; A413-F456 HydrophobicContact CB-CZ 3.96Å
414A87.4Confident84.5Confident15 Ų1564.5 Ų64.512%0.12433%0.326CS..Hα-helixtrans-61.2-46.1174.100000112.4P405 Q410 Q416 S417 R418 F456P405-A414 HydrophobicContact CG-CB 4.34Å; Q410-A414 PolarHBondContact O-N 3.2Å; A414-Q416 VanDerWaalsContact C-N 3.32Å; A414-Q416 PolarHBondContact O-N 2.94Å; A414-S417 WeakPolarHBondContact O-CB 3.34Å; A414-S417 PolarHBondContact O-N 2.99Å; A414-S417 VanDerWaalsContact O-N 3.16Å; A414-R418 PolarHBondContact O-N 2.63Å; A414-F456 VanDerWaalsContact CA-CD2 3.48Å; A414-F456 HydrophobicContact CB-CB 4.08Å; A414-F456 HydrophobicContact CB-CD1 4.05Å; A414-F456 HydrophobicContact CB-CD2 3.86Å; A414-F456 HydrophobicContact CB-CE1 4.47Å; A414-F456 HydrophobicContact CB-CE2 4.3Å; A414-F456 HydrophobicContact CB-CG 3.71Å
415L85.8Confident84.9Confident59 Ų5962.1 Ų62.131%0.30931%0.314SS..Hα-helixtrans-64-34.7175.1-71.5170000112.7K411 R412 K419K411-L415 WeakPolarHBondContact O-CG 3.29Å; K411-L415 PolarHBondContact O-N 3.07Å; R412-L415 PolarHBondContact O-N 3.42Å; L415-K419 WeakPolarHBondContact O-CB 3.2Å; L415-K419 PolarHBondContact O-N 3.45Å; L415-K419 VanDerWaalsContact O-N 3.15Å
416Q87.8Confident85.4Confident98 Ų9863.2 Ų63.246%0.45832%0.318SS..Hα-helixtrans-70.2-35.8172.5-73.5178.7-3.900112.5R412 A413 A414 K419 R420R412-Q416 WeakPolarHBondContact O-CG 3.5Å; R412-Q416 PolarHBondContact O-N 3.21Å; A413-Q416 PolarHBondContact O-N 2.84Å; A414-Q416 VanDerWaalsContact C-N 3.32Å; A414-Q416 PolarHBondContact O-N 2.94Å; Q416-K419 PolarHBondContact O-N 3.24Å; Q416-R420 WeakPolarHBondContact O-CG 3.42Å; Q416-R420 PolarHBondContact O-N 3.42Å; Q416-R420 VanDerWaalsContact O-N 3.09Å
417S90.9Very high86.5Confident2 Ų261.6 Ų61.61%0.01430%0.304CS..Hα-helixtrans-59.2-55.4172.5179.60000110.9A413 A414 K419 R420 F421 N455A413-S417 PolarHBondContact O-N 3.44Å; A414-S417 WeakPolarHBondContact O-CB 3.34Å; A414-S417 PolarHBondContact O-N 2.99Å; A414-S417 VanDerWaalsContact O-N 3.16Å; S417-K419 PolarHBondContact O-N 3.31Å; S417-R420 WeakPolarHBondContact O-CB 3.31Å; S417-R420 PolarHBondContact O-N 2.84Å; S417-F421 WeakPolarHBondContact O-CD2 3.08Å; S417-N455 VanDerWaalsContact OG-CA 3.27Å; S417-N455 WeakPolarHBondContact OG-CA 3.4Å; S417-N455 PolarHBondContact OG-O 3.04Å
418R92.1Very high87.4Confident13 Ų1356.9 Ų56.95%0.04928%0.282CS..Hα-helixtrans-51.6-43.4175.3-167.7-172-172.1102.3-8.9111.8D400 F402 A414 R420 F421 D428 A431 T538 V540D400-R418 VanDerWaalsContact CG-NH1 3.3Å; D400-R418 IonicContact OD1-NH1 3.58Å; D400-R418 PolarHBondContact OD1-NH1 3.19Å; D400-R418 IonicContact OD2-CZ 3.81Å; D400-R418 VanDerWaalsContact OD2-CZ 3.26Å; D400-R418 IonicContact OD2-NH1 2.91Å; D400-R418 PolarHBondContact OD2-NH1 2.92Å; D400-R418 IonicContact OD2-NH2 2.76Å; D400-R418 PolarHBondContact OD2-NH2 3.3Å; F402-R418 HydrophobicContact CD1-CB 4.06Å; F402-R418 HydrophobicContact CD1-CG 4.32Å; F402-R418 HydrophobicContact CD2-CG 4.14Å; F402-R418 VanDerWaalsContact CD2-NH1 3.3Å; F402-R418 HydrophobicContact CE1-CB 3.82Å; F402-R418 HydrophobicContact CE1-CG 4.07Å; F402-R418 HydrophobicContact CE2-CG 3.89Å; F402-R418 HydrophobicContact CG-CG 4.35Å; F402-R418 HydrophobicContact CZ-CB 4.08Å; F402-R418 HydrophobicContact CZ-CG 3.85Å; A414-R418 PolarHBondContact O-N 2.63Å; R418-R420 PolarHBondContact O-N 2.89Å; R418-F421 PolarHBondContact O-N 3.43Å; R418-D428 IonicContact CZ-OD1 2.78Å; R418-D428 IonicContact NE-OD1 2.61Å; R418-D428 PolarHBondContact NE-OD1 2.78Å; R418-D428 IonicContact NH2-OD1 3.09Å; R418-A431 HydrophobicContact CG-CB 4.23Å; R418-T538 VanDerWaalsContact CD-O 3.27Å; R418-T538 WeakPolarHBondContact CD-O 3.38Å; R418-T538 PolarHBondContact NE-O 3.03Å; R418-V540 HydrophobicContact CB-CG1 4.42Å; R418-V540 HydrophobicContact CG-CG1 3.79Å
419K90.1Very high88.4Confident78 Ų7854.2 Ų54.234%0.33926%0.264SS..Hα-helixtrans-64.2-36.2179.4-168.8169.2-169.1172.90113.8L415 Q416 S417 F421 T422L415-K419 WeakPolarHBondContact O-CB 3.2Å; L415-K419 PolarHBondContact O-N 3.45Å; L415-K419 VanDerWaalsContact O-N 3.15Å; Q416-K419 PolarHBondContact O-N 3.24Å; S417-K419 PolarHBondContact O-N 3.31Å; K419-F421 PolarHBondContact O-N 2.97Å; K419-T422 WeakPolarHBondContact O-CB 3.46Å; K419-T422 WeakPolarHBondContact O-CG2 3.37Å; K419-T422 PolarHBondContact O-N 2.68Å; K419-T422 PolarHBondContact O-OG1 2.94Å
420R91.5Very high89.1Confident184 Ų18450.2 Ų50.269%0.69424%0.236SC*.Hα-helixtrans-59.4-33.3177.7-72.5167.7-176.6173.21.1112.2Q416 S417 R418 T422Q416-R420 WeakPolarHBondContact O-CG 3.42Å; Q416-R420 PolarHBondContact O-N 3.42Å; Q416-R420 VanDerWaalsContact O-N 3.09Å; S417-R420 WeakPolarHBondContact O-CB 3.31Å; S417-R420 PolarHBondContact O-N 2.84Å; R418-R420 PolarHBondContact O-N 2.89Å; R420-T422 VanDerWaalsContact C-N 3.26Å; R420-T422 PolarHBondContact O-N 3.31Å
421F93.4Very high89.6Confident24 Ų2447.3 Ų47.311%0.10522%0.222CC..THydrogen-bonded Turntrans-73.4-10.6177.9-66-69.5000114.2F402 S417 R418 K419 A431 R434 A435 A438 F451 N455F402-F421 AromaticContact CE1-CD2 3.93Å; F402-F421 HydrophobicContact CE1-CD2 3.93Å; F402-F421 HydrophobicContact CE1-CE2 4.11Å; F402-F421 AromaticContact CZ-CD2 3.77Å; F402-F421 HydrophobicContact CZ-CD2 3.77Å; F402-F421 HydrophobicContact CZ-CE2 4.29Å; S417-F421 WeakPolarHBondContact O-CD2 3.08Å; R418-F421 PolarHBondContact O-N 3.43Å; K419-F421 PolarHBondContact O-N 2.97Å; F421-A431 HydrophobicContact CB-CB 4.01Å; F421-R434 HydrophobicContact CB-CB 3.99Å; F421-R434 HydrophobicContact CD1-CB 3.98Å; F421-R434 HydrophobicContact CG-CB 4.45Å; F421-R434 WeakPolarHBondContact O-CB 3.43Å; F421-R434 WeakPolarHBondContact O-CG 3.4Å; F421-A435 HydrophobicContact CD1-CB 4.35Å; F421-A435 HydrophobicContact CD2-CB 4.3Å; F421-A435 HydrophobicContact CE1-CB 4.49Å; F421-A435 HydrophobicContact CE2-CB 4.43Å; F421-A435 HydrophobicContact CG-CB 4.26Å; F421-A438 HydrophobicContact CE1-CB 4Å; F421-F451 HydrophobicContact CE1-CZ 4.01Å; F421-F451 HydrophobicContact CZ-CE2 4.49Å; F421-F451 AromaticContact CZ-CZ 3.79Å; F421-F451 HydrophobicContact CZ-CZ 3.79Å; F421-N455 HydrophobicContact CE2-CB 4.09Å; F421-N455 HydrophobicContact CZ-CB 4.11Å
422T88.6Confident90.3Very high7 Ų743.2 Ų43.24%0.04321%0.205CC..THydrogen-bonded Turntrans-77-21.6-178.166.50000114.7K419 R420 N424 T425 M430 A431 V540K419-T422 WeakPolarHBondContact O-CB 3.46Å; K419-T422 WeakPolarHBondContact O-CG2 3.37Å; K419-T422 PolarHBondContact O-N 2.68Å; K419-T422 PolarHBondContact O-OG1 2.94Å; R420-T422 VanDerWaalsContact C-N 3.26Å; R420-T422 PolarHBondContact O-N 3.31Å; T422-N424 PolarHBondContact O-N 3.04Å; T422-N424 VanDerWaalsContact O-N 3.12Å; T422-N424 PolarHBondContact OG1-N 3.22Å; T422-T425 WeakPolarHBondContact O-CB 3.44Å; T422-T425 WeakPolarHBondContact O-CG2 3.38Å; T422-T425 PolarHBondContact O-N 3.12Å; T422-T425 PolarHBondContact O-OG1 3.03Å; T422-M430 WeakPolarHBondContact O-CG 3.44Å; T422-A431 HydrophobicContact CG2-CB 4.1Å; T422-V540 HydrophobicContact CG2-CB 3.79Å; T422-V540 HydrophobicContact CG2-CG1 3.58Å; T422-V540 HydrophobicContact CG2-CG2 3.67Å
423S81.3Confident90.9Very high53 Ų5334 Ų3437%0.37117%0.17SC..THydrogen-bonded Turntrans48.634.6-171.8-49.30000113.9T425S423-T425 PolarHBondContact O-N 3.02Å; S423-T425 VanDerWaalsContact O-N 3.12Å
424N80.7Confident91.3Very high104 Ų10434 Ų3456%0.55616%0.161SC*.THydrogen-bonded Turntrans58.912.7-174.1-64.6-16.3000116.3T422 F426T422-N424 PolarHBondContact O-N 3.04Å; T422-N424 VanDerWaalsContact O-N 3.12Å; T422-N424 PolarHBondContact OG1-N 3.22Å; N424-F426 WeakPolarHBondContact O-CD2 3.27Å; N424-F426 WeakPolarHBondContact O-CE2 3.13Å; N424-F426 PolarHBondContact O-N 3.42Å
425T87.6Confident91.7Very high2 Ų233.2 Ų33.21%0.01216%0.155CC..SBendtrans-75.310.8-178.763.60000115.3T422 S423 S427 M430 P696T422-T425 WeakPolarHBondContact O-CB 3.44Å; T422-T425 WeakPolarHBondContact O-CG2 3.38Å; T422-T425 PolarHBondContact O-N 3.12Å; T422-T425 PolarHBondContact O-OG1 3.03Å; S423-T425 PolarHBondContact O-N 3.02Å; S423-T425 VanDerWaalsContact O-N 3.12Å; T425-S427 VanDerWaalsContact C-N 3.3Å; T425-S427 PolarHBondContact O-N 2.71Å; T425-M430 HydrophobicContact CG2-CE 4.35Å; T425-M430 HydrophobicContact CG2-CG 4.46Å; T425-M430 WeakPolarHBondContact OG1-CB 3.31Å; T425-M430 WeakPolarHBondContact OG1-CG 3.21Å; T425-P696 HydrophobicContact CG2-CB 4.07Å; T425-P696 HydrophobicContact CG2-CG 3.98Å
426F91.5Very high92.2Very high31 Ų3130.5 Ų30.514%0.13614%0.14CC..SBendtrans49.144.6-177.2-59-89.3000114.4N424 L541 L544 Q556 L558 P559 V582 L693N424-F426 WeakPolarHBondContact O-CD2 3.27Å; N424-F426 WeakPolarHBondContact O-CE2 3.13Å; N424-F426 PolarHBondContact O-N 3.42Å; F426-L541 HydrophobicContact CB-CD2 3.99Å; F426-L541 HydrophobicContact CD1-CD2 4.1Å; F426-L544 HydrophobicContact CD1-CD1 3.95Å; F426-L544 HydrophobicContact CE1-CD1 4.05Å; F426-L544 HydrophobicContact CE1-CD2 4.4Å; F426-Q556 HydrophobicContact CZ-CG 4.39Å; F426-L558 HydrophobicContact CD1-CD2 4.24Å; F426-P559 HydrophobicContact CD2-CG 4.14Å; F426-P559 HydrophobicContact CE2-CG 4.13Å; F426-V582 HydrophobicContact CB-CB 3.86Å; F426-V582 HydrophobicContact CB-CG2 3.49Å; F426-V582 VanDerWaalsContact CB-CG2 3.49Å; F426-V582 HydrophobicContact CG-CG2 4.3Å; F426-V582 PolarHBondContact O-N 3.39Å; F426-V582 VanDerWaalsContact O-N 3.13Å; F426-L693 HydrophobicContact CD2-CD2 4.14Å
427S94.6Very high92.6Very high0 Ų027 Ų270%012%0.124CC..BIsolated β-bridgetrans-142.1126.2-173.1177.10000113.1T425 H429 M430 W500 S581T425-S427 VanDerWaalsContact C-N 3.3Å; T425-S427 PolarHBondContact O-N 2.71Å; S427-H429 PolarHBondContact OG-N 3.3Å; S427-H429 VanDerWaalsContact OG-N 3.17Å; S427-M430 PolarHBondContact OG-N 3.4Å; S427-W500 WeakPolarHBondContact OG-CZ2 3.47Å; S427-S581 WeakPolarHBondContact CB-OG 3.45Å; S427-S581 PolarHBondContact OG-OG 3.09Å
428D95.6Very high92.8Very high0 Ų028.4 Ų28.40%014%0.136CC..Hα-helixtrans-69.7-36.6163.2-78.3-66.8000111.4R418 M430 A431 L432 S539 V540 C579 C580R418-D428 IonicContact CZ-OD1 2.78Å; R418-D428 IonicContact NE-OD1 2.61Å; R418-D428 PolarHBondContact NE-OD1 2.78Å; R418-D428 IonicContact NH2-OD1 3.09Å; D428-M430 VanDerWaalsContact C-N 3.27Å; D428-M430 PolarHBondContact O-N 3.21Å; D428-A431 WeakPolarHBondContact O-CA 3.39Å; D428-A431 VanDerWaalsContact O-CB 3.32Å; D428-A431 WeakPolarHBondContact O-CB 3.45Å; D428-A431 PolarHBondContact O-N 3.27Å; D428-L432 PolarHBondContact O-N 3.05Å; D428-S539 WeakPolarHBondContact OD1-CA 3.43Å; D428-S539 WeakPolarHBondContact OD2-CA 3.37Å; D428-S539 VanDerWaalsContact OD2-CB 3.23Å; D428-S539 WeakPolarHBondContact OD2-CB 3.42Å; D428-S539 PolarHBondContact OD2-OG 3.44Å; D428-V540 PolarHBondContact OD1-N 3.06Å; D428-C579 HydrophobicContact CB-CB 4.22Å; D428-C579 VanDerWaalsContact CB-SG 3.54Å; D428-C580 PolarHBondContact N-O 3.45Å; D428-C580 PolarHBondContact OD2-N 3.23Å
429H96.9Very high93Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-58.7-37.9176.8-61.9110.2000112.2I392 S427 L432 L433 L507 C579 S581I392-H429 HydrophobicContact CD1-CB 4.24Å; I392-H429 HydrophobicContact CG2-CB 4.26Å; S427-H429 PolarHBondContact OG-N 3.3Å; S427-H429 VanDerWaalsContact OG-N 3.17Å; H429-L432 PolarHBondContact O-N 3.08Å; H429-L433 PolarHBondContact O-N 3.14Å; H429-L507 HydrophobicContact CB-CD1 3.94Å; H429-C579 PolarHBondContact CD2-SG 3.11Å; H429-C579 PolarHBondContact CE1-O 3.39Å; H429-C579 PolarHBondContact NE2-SG 3.47Å; H429-C579 VanDerWaalsContact NE2-SG 3.36Å; H429-S581 PolarHBondContact ND1-OG 2.87Å
430M96.1Very high93.1Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-60.3-43.5169-179.16250.500111.7T422 T425 S427 D428 L432 L433 R434 W500 P696 I699T422-M430 WeakPolarHBondContact O-CG 3.44Å; T425-M430 HydrophobicContact CG2-CE 4.35Å; T425-M430 HydrophobicContact CG2-CG 4.46Å; T425-M430 WeakPolarHBondContact OG1-CB 3.31Å; T425-M430 WeakPolarHBondContact OG1-CG 3.21Å; S427-M430 PolarHBondContact OG-N 3.4Å; D428-M430 VanDerWaalsContact C-N 3.27Å; D428-M430 PolarHBondContact O-N 3.21Å; M430-L432 VanDerWaalsContact C-N 3.32Å; M430-L432 PolarHBondContact O-N 3.46Å; M430-L433 PolarHBondContact O-N 2.94Å; M430-R434 HydrophobicContact CG-CG 4.01Å; M430-R434 WeakPolarHBondContact O-CB 3.31Å; M430-R434 VanDerWaalsContact O-CG 3.26Å; M430-R434 WeakPolarHBondContact O-CG 3.48Å; M430-R434 PolarHBondContact O-N 3.47Å; M430-R434 HydrophobicContact SD-CG 3.49Å; M430-R434 WeakPolarHBondContact SD-CG 3.2Å; M430-W500 HydrophobicContact CB-CH2 4.2Å; M430-W500 HydrophobicContact CB-CZ2 4.05Å; M430-W500 HydrophobicContact CE-CD2 3.32Å; M430-W500 HydrophobicContact CE-CE3 3.33Å; M430-W500 HydrophobicContact CE-CG 4.1Å; M430-W500 HydrophobicContact CE-CH2 3.56Å; M430-W500 HydrophobicContact CE-CZ2 3.51Å; M430-W500 HydrophobicContact CE-CZ3 3.43Å; M430-W500 VanDerWaalsContact CE-CZ3 3.43Å; M430-P696 HydrophobicContact CE-CB 4.43Å; M430-P696 HydrophobicContact CE-CG 3.74Å; M430-I699 HydrophobicContact CE-CG2 3.87Å; M430-I699 HydrophobicContact SD-CG2 3.81Å
431A95.6Very high93.2Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-63-38.8179.600000112.2R418 F421 T422 D428 A435R418-A431 HydrophobicContact CG-CB 4.23Å; F421-A431 HydrophobicContact CB-CB 4.01Å; T422-A431 HydrophobicContact CG2-CB 4.1Å; D428-A431 WeakPolarHBondContact O-CA 3.39Å; D428-A431 VanDerWaalsContact O-CB 3.32Å; D428-A431 WeakPolarHBondContact O-CB 3.45Å; D428-A431 PolarHBondContact O-N 3.27Å; A431-A435 WeakPolarHBondContact O-CB 3.42Å; A431-A435 PolarHBondContact O-N 2.99Å
432L96.5Very high93.3Very high3 Ų321.1 Ų21.12%0.01611%0.11CC..Hα-helixtrans-62-52.6172.9-59.9179.4000111.4T395 L396 P401 F402 D428 H429 M430 R434 A435 F436T395-L432 HydrophobicContact CG2-CB 4.16Å; T395-L432 HydrophobicContact CG2-CD1 3.95Å; T395-L432 HydrophobicContact CG2-CD2 3.92Å; T395-L432 HydrophobicContact CG2-CG 4.22Å; L396-L432 HydrophobicContact CD2-CD1 3.76Å; P401-L432 HydrophobicContact CG-CD2 4.25Å; F402-L432 HydrophobicContact CD2-CD2 4.4Å; F402-L432 HydrophobicContact CE2-CD2 4.31Å; D428-L432 PolarHBondContact O-N 3.05Å; H429-L432 PolarHBondContact O-N 3.08Å; M430-L432 VanDerWaalsContact C-N 3.32Å; M430-L432 PolarHBondContact O-N 3.46Å; L432-R434 PolarHBondContact O-N 2.69Å; L432-A435 PolarHBondContact O-N 3.11Å; L432-F436 PolarHBondContact O-N 3.35Å; L432-F436 VanDerWaalsContact O-N 3.11Å
433L96.8Very high93.5Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-56.1-50.2179174.261.9000112.3P388 T391 I392 H429 M430 F436 Q437 I699P388-L433 HydrophobicContact CB-CD1 3.97Å; P388-L433 HydrophobicContact CB-CD2 3.61Å; P388-L433 HydrophobicContact CB-CG 4.46Å; T391-L433 HydrophobicContact CG2-CD1 4.19Å; I392-L433 HydrophobicContact CD1-CB 4.32Å; I392-L433 HydrophobicContact CG1-CB 4.12Å; H429-L433 PolarHBondContact O-N 3.14Å; M430-L433 PolarHBondContact O-N 2.94Å; L433-F436 PolarHBondContact O-N 3.43Å; L433-Q437 HydrophobicContact CD1-CG 4.29Å; L433-Q437 WeakPolarHBondContact O-CG 3.24Å; L433-Q437 PolarHBondContact O-N 3.04Å; L433-I699 HydrophobicContact CD2-CB 4.14Å; L433-I699 HydrophobicContact CD2-CG2 4.43Å
434R96.1Very high93.9Very high40 Ų4023.9 Ų23.915%0.15112%0.12CC..Hα-helixtrans-71.1-34.9-176.7-66.4-60.8-148.6171.811.9112.7F421 M430 L432 F436 Q437 A438 T697 G698F421-R434 HydrophobicContact CB-CB 3.99Å; F421-R434 HydrophobicContact CD1-CB 3.98Å; F421-R434 HydrophobicContact CG-CB 4.45Å; F421-R434 WeakPolarHBondContact O-CB 3.43Å; F421-R434 WeakPolarHBondContact O-CG 3.4Å; M430-R434 HydrophobicContact CG-CG 4.01Å; M430-R434 WeakPolarHBondContact O-CB 3.31Å; M430-R434 VanDerWaalsContact O-CG 3.26Å; M430-R434 WeakPolarHBondContact O-CG 3.48Å; M430-R434 PolarHBondContact O-N 3.47Å; M430-R434 HydrophobicContact SD-CG 3.49Å; M430-R434 WeakPolarHBondContact SD-CG 3.2Å; L432-R434 PolarHBondContact O-N 2.69Å; R434-F436 VanDerWaalsContact C-N 3.34Å; R434-Q437 PolarHBondContact O-N 3.46Å; R434-A438 VanDerWaalsContact O-CB 3.23Å; R434-A438 WeakPolarHBondContact O-CB 3.38Å; R434-A438 PolarHBondContact O-N 3.34Å; R434-T697 PolarHBondContact NH1-O 3.42Å; R434-T697 VanDerWaalsContact NH1-O 3.1Å; R434-T697 PolarHBondContact NH2-O 3.5Å; R434-G698 VanDerWaalsContact NH1-C 3.28Å; R434-G698 PolarHBondContact NH1-O 3.06Å
435A96.4Very high94.6Very high0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-61.8-43172.900000111.1F402 F421 A431 L432 W439 L457 M462F402-A435 HydrophobicContact CE2-CB 4.14Å; F402-A435 HydrophobicContact CZ-CB 3.8Å; F421-A435 HydrophobicContact CD1-CB 4.35Å; F421-A435 HydrophobicContact CD2-CB 4.3Å; F421-A435 HydrophobicContact CE1-CB 4.49Å; F421-A435 HydrophobicContact CE2-CB 4.43Å; F421-A435 HydrophobicContact CG-CB 4.26Å; A431-A435 WeakPolarHBondContact O-CB 3.42Å; A431-A435 PolarHBondContact O-N 2.99Å; L432-A435 PolarHBondContact O-N 3.11Å; A435-W439 VanDerWaalsContact O-CB 3.23Å; A435-W439 WeakPolarHBondContact O-CB 3.44Å; A435-W439 PolarHBondContact O-N 2.75Å; A435-L457 HydrophobicContact CB-CD1 4.08Å; A435-L457 HydrophobicContact CB-CD2 4.13Å; A435-M462 HydrophobicContact CB-CE 3.94Å
436F96.4Very high94.8Very high1 Ų126.5 Ų26.50%0.00415%0.145CC..Hα-helixtrans-66.1-47.4175.9-173.3-87.3000112.4T391 L432 L433 R434 A438 W439 Q440 M462 I465 L466 P703T391-F436 HydrophobicContact CG2-CB 3.81Å; T391-F436 HydrophobicContact CG2-CD1 3.44Å; T391-F436 VanDerWaalsContact CG2-CD1 3.44Å; T391-F436 HydrophobicContact CG2-CD2 4.29Å; T391-F436 HydrophobicContact CG2-CE1 4.06Å; T391-F436 HydrophobicContact CG2-CG 3.57Å; L432-F436 PolarHBondContact O-N 3.35Å; L432-F436 VanDerWaalsContact O-N 3.11Å; L433-F436 PolarHBondContact O-N 3.43Å; R434-F436 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.03Å; F436-W439 HydrophobicContact CD2-CE3 4.33Å; F436-W439 HydrophobicContact CD2-CZ3 4.47Å; F436-W439 HydrophobicContact CE2-CE3 4.21Å; F436-W439 AromaticContact CE2-CZ3 3.91Å; F436-W439 HydrophobicContact CE2-CZ3 3.91Å; F436-W439 HydrophobicContact CZ-CZ3 4.15Å; F436-W439 PolarHBondContact O-N 3.28Å; F436-Q440 WeakPolarHBondContact O-CB 3.35Å; F436-Q440 PolarHBondContact O-N 3.13Å; F436-M462 HydrophobicContact CB-SD 4.28Å; F436-M462 HydrophobicContact CD2-SD 3.75Å; F436-M462 HydrophobicContact CG-SD 4.46Å; F436-I465 HydrophobicContact CD2-CB 4.3Å; F436-I465 HydrophobicContact CD2-CG2 3.75Å; F436-I465 HydrophobicContact CE2-CB 4Å; F436-I465 HydrophobicContact CE2-CG2 3.6Å; F436-I465 HydrophobicContact CZ-CG2 4.47Å; F436-L466 HydrophobicContact CE2-CB 4.15Å; F436-L466 HydrophobicContact CZ-CB 3.95Å; F436-L466 HydrophobicContact CZ-CD1 4.04Å; F436-P703 HydrophobicContact CE1-CG 4.2Å
437Q95.3Very high94.9Very high24 Ų2429.8 Ų29.811%0.11216%0.157CC..Hα-helixtrans-59.3-45.6177.6-76.5176.3-26.300112.2L433 R434 Q440 K441 I699 Q701L433-Q437 HydrophobicContact CD1-CG 4.29Å; L433-Q437 WeakPolarHBondContact O-CG 3.24Å; L433-Q437 PolarHBondContact O-N 3.04Å; R434-Q437 PolarHBondContact O-N 3.46Å; Q437-Q440 PolarHBondContact O-N 3.21Å; Q437-K441 PolarHBondContact O-N 2.58Å; Q437-I699 PolarHBondContact NE2-O 2.96Å; Q437-Q701 PolarHBondContact NE2-O 2.77Å
438A95.4Very high94.7Very high33 Ų3331 Ų3127%0.27316%0.162SC..Hα-helixtrans-70-37.4179.100000112.6F421 R434 F436 K441 A442 F451F421-A438 HydrophobicContact CE1-CB 4Å; R434-A438 VanDerWaalsContact O-CB 3.23Å; R434-A438 WeakPolarHBondContact O-CB 3.38Å; R434-A438 PolarHBondContact O-N 3.34Å; F436-A438 PolarHBondContact O-N 3.03Å; A438-K441 PolarHBondContact O-N 2.9Å; A438-A442 PolarHBondContact O-N 3.44Å; A438-F451 HydrophobicContact CB-CE1 4.39Å; A438-F451 HydrophobicContact CB-CE2 3.72Å; A438-F451 HydrophobicContact CB-CZ 3.43Å; A438-F451 VanDerWaalsContact CB-CZ 3.43Å
439W96Very high94.3Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-60.1-45.8170.7168.980.8000111.8A435 F436 K441 A442 R443 F451 M462 L466A435-W439 VanDerWaalsContact O-CB 3.23Å; A435-W439 WeakPolarHBondContact O-CB 3.44Å; A435-W439 PolarHBondContact O-N 2.75Å; F436-W439 HydrophobicContact CD2-CE3 4.33Å; F436-W439 HydrophobicContact CD2-CZ3 4.47Å; F436-W439 HydrophobicContact CE2-CE3 4.21Å; F436-W439 AromaticContact CE2-CZ3 3.91Å; F436-W439 HydrophobicContact CE2-CZ3 3.91Å; F436-W439 HydrophobicContact CZ-CZ3 4.15Å; F436-W439 PolarHBondContact O-N 3.28Å; W439-K441 VanDerWaalsContact C-N 3.32Å; W439-K441 PolarHBondContact O-N 2.84Å; W439-A442 PolarHBondContact O-N 2.85Å; W439-A442 VanDerWaalsContact O-N 3.16Å; W439-R443 PolarHBondContact O-N 2.94Å; W439-F451 VanDerWaalsContact CA-CE1 3.46Å; W439-F451 HydrophobicContact CB-CD1 3.88Å; W439-F451 HydrophobicContact CB-CE1 3.68Å; W439-M462 HydrophobicContact CB-CE 4.2Å; W439-M462 HydrophobicContact CB-CG 4.48Å; W439-M462 HydrophobicContact CD2-CB 3.52Å; W439-M462 HydrophobicContact CD2-CG 3.88Å; W439-M462 HydrophobicContact CE3-CB 3.81Å; W439-M462 HydrophobicContact CE3-CG 4.36Å; W439-M462 HydrophobicContact CG-CB 4.09Å; W439-M462 HydrophobicContact CG-CG 3.92Å; W439-M462 HydrophobicContact CH2-CB 3.76Å; W439-M462 HydrophobicContact CZ2-CB 3.46Å; W439-M462 VanDerWaalsContact CZ2-CB 3.46Å; W439-M462 HydrophobicContact CZ3-CB 3.93Å; W439-L466 HydrophobicContact CH2-CB 4.38Å; W439-L466 HydrophobicContact CH2-CD2 4.01Å; W439-L466 HydrophobicContact CZ3-CB 4.34Å; W439-L466 HydrophobicContact CZ3-CD2 4.1Å
440Q93.8Very high94.1Very high20 Ų2038.5 Ų38.59%0.09320%0.196CC..Hα-helixtrans-66.8-35.4-179.4-169.8175.11700112.1F436 Q437 R443 S444 R704F436-Q440 WeakPolarHBondContact O-CB 3.35Å; F436-Q440 PolarHBondContact O-N 3.13Å; Q437-Q440 PolarHBondContact O-N 3.21Å; Q440-R443 PolarHBondContact O-N 2.88Å; Q440-S444 PolarHBondContact O-N 3.33Å; Q440-R704 VanDerWaalsContact NE2-N 3.17Å; Q440-R704 PolarHBondContact NE2-O 3.26Å
441K93Very high94Very high126 Ų12639.1 Ų39.155%0.54820%0.198SC..Hα-helixtrans-58.5-53169-179.4178.7173.2-179.50110.6Q437 A438 W439 R443 S444 E445Q437-K441 PolarHBondContact O-N 2.58Å; A438-K441 PolarHBondContact O-N 2.9Å; W439-K441 VanDerWaalsContact C-N 3.32Å; W439-K441 PolarHBondContact O-N 2.84Å; K441-R443 VanDerWaalsContact C-N 3.27Å; K441-R443 PolarHBondContact O-N 3.18Å; K441-S444 CarbonylContact O-C 3.55Å; K441-S444 WeakPolarHBondContact O-CA 3.46Å; K441-S444 PolarHBondContact O-N 3.18Å; K441-S444 PolarHBondContact O-OG 2.8Å; K441-E445 WeakPolarHBondContact CE-OE1 3.35Å; K441-E445 IonicContact NZ-OE1 2.7Å; K441-E445 WeakPolarHBondContact O-CG 3.22Å; K441-E445 PolarHBondContact O-N 3.15Å; K441-E445 VanDerWaalsContact O-N 3.1Å
442A95.1Very high93.9Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-59.1-35.4179.100000113.1A438 W439 E445 G446 W447 F451A438-A442 PolarHBondContact O-N 3.44Å; W439-A442 PolarHBondContact O-N 2.85Å; W439-A442 VanDerWaalsContact O-N 3.16Å; A442-E445 CarbonylContact O-C 3.49Å; A442-E445 PolarHBondContact O-N 3.4Å; A442-G446 PolarHBondContact O-N 2.68Å; A442-W447 HydrophobicContact CB-CD2 3.79Å; A442-W447 HydrophobicContact CB-CE3 4.1Å; A442-W447 HydrophobicContact CB-CG 4.31Å; A442-W447 HydrophobicContact CB-CH2 4.19Å; A442-W447 HydrophobicContact CB-CZ2 3.88Å; A442-W447 HydrophobicContact CB-CZ3 4.3Å; A442-W447 PolarHBondContact O-N 3.24Å; A442-F451 HydrophobicContact CB-CB 3.54Å; A442-F451 HydrophobicContact CB-CD2 4.01Å; A442-F451 HydrophobicContact CB-CG 3.76Å
443R92.1Very high93.5Very high67 Ų6743.9 Ų43.925%0.25322%0.221SC..Hα-helixtrans-64.4-44.3171.9-167.7-163.4-169.997-12.8112.1W439 Q440 K441 E445 G446 E448 D463W439-R443 PolarHBondContact O-N 2.94Å; Q440-R443 PolarHBondContact O-N 2.88Å; K441-R443 VanDerWaalsContact C-N 3.27Å; K441-R443 PolarHBondContact O-N 3.18Å; R443-E445 PolarHBondContact O-N 3.35Å; R443-E445 VanDerWaalsContact O-N 3.17Å; R443-G446 PolarHBondContact O-N 3.26Å; R443-G446 VanDerWaalsContact O-N 3.1Å; R443-E448 HydrophobicContact CB-CB 3.9Å; R443-E448 HydrophobicContact CB-CG 4.36Å; R443-E448 HydrophobicContact CG-CB 4.39Å; R443-E448 HydrophobicContact CG-CG 4.29Å; R443-D463 IonicContact CZ-OD1 2.67Å; R443-D463 IonicContact NH1-OD1 3.2Å; R443-D463 PolarHBondContact NH1-OD1 2.88Å; R443-D463 IonicContact NH1-OD2 3.22Å; R443-D463 IonicContact NH2-OD1 3.93Å; R443-D463 PolarHBondContact NH2-OD1 2.79Å
444S91.1Very high93.2Very high51 Ų5151.9 Ų51.936%0.35725%0.251SS..Hα-helixtrans-68.2-10.1176.376.90000114.2Q440 K441Q440-S444 PolarHBondContact O-N 3.33Å; K441-S444 CarbonylContact O-C 3.55Å; K441-S444 WeakPolarHBondContact O-CA 3.46Å; K441-S444 PolarHBondContact O-N 3.18Å; K441-S444 PolarHBondContact O-OG 2.8Å
445E94.2Very high93.1Very high99 Ų9951 Ų5146%0.46325%0.25SC..THydrogen-bonded Turntrans-111.22.4175.9-67171.717500112.3K441 A442 R443 W447K441-E445 WeakPolarHBondContact CE-OE1 3.35Å; K441-E445 IonicContact NZ-OE1 2.7Å; K441-E445 WeakPolarHBondContact O-CG 3.22Å; K441-E445 PolarHBondContact O-N 3.15Å; K441-E445 VanDerWaalsContact O-N 3.1Å; A442-E445 CarbonylContact O-C 3.49Å; A442-E445 PolarHBondContact O-N 3.4Å; R443-E445 PolarHBondContact O-N 3.35Å; R443-E445 VanDerWaalsContact O-N 3.17Å; E445-W447 VanDerWaalsContact CB-CD1 3.41Å; E445-W447 PolarHBondContact OE2-NE1 2.87Å
446G91.4Very high93Very high62 Ų6252.5 Ų52.564%0.63926%0.256SS*.THydrogen-bonded Turntrans75.520.6174.300000117A442 R443A442-G446 PolarHBondContact O-N 2.68Å; R443-G446 PolarHBondContact O-N 3.26Å; R443-G446 VanDerWaalsContact O-N 3.1Å
447W93.6Very high92.8Very high100 Ų10052.5 Ų52.538%0.37926%0.256SS..  trans-127.423.5-178.164.7-83000114.5A442 E445 R449 S450 F451A442-W447 HydrophobicContact CB-CD2 3.79Å; A442-W447 HydrophobicContact CB-CE3 4.1Å; A442-W447 HydrophobicContact CB-CG 4.31Å; A442-W447 HydrophobicContact CB-CH2 4.19Å; A442-W447 HydrophobicContact CB-CZ2 3.88Å; A442-W447 HydrophobicContact CB-CZ3 4.3Å; A442-W447 PolarHBondContact O-N 3.24Å; E445-W447 VanDerWaalsContact CB-CD1 3.41Å; E445-W447 PolarHBondContact OE2-NE1 2.87Å; W447-R449 VanDerWaalsContact C-N 3.29Å; W447-R449 PolarHBondContact O-N 3.08Å; W447-S450 PolarHBondContact O-N 3.19Å; W447-S450 VanDerWaalsContact O-N 3.14Å; W447-F451 HydrophobicContact CE3-CB 3.82Å; W447-F451 HydrophobicContact CH2-CB 4.44Å; W447-F451 AromaticContact CH2-CD2 3.8Å; W447-F451 HydrophobicContact CH2-CD2 3.8Å; W447-F451 HydrophobicContact CZ3-CB 3.69Å; W447-F451 AromaticContact CZ3-CD2 3.77Å; W447-F451 HydrophobicContact CZ3-CD2 3.77Å; W447-F451 HydrophobicContact CZ3-CG 4.24Å; W447-F451 PolarHBondContact O-N 3.18Å
448E92.1Very high92.5Very high26 Ų2651.8 Ų51.812%0.12125%0.254CS..Hα-helixtrans-60.5-32.3-174.379-60.1153.200114.2R443 F451 C452 Q459R443-E448 HydrophobicContact CB-CB 3.9Å; R443-E448 HydrophobicContact CB-CG 4.36Å; R443-E448 HydrophobicContact CG-CB 4.39Å; R443-E448 HydrophobicContact CG-CG 4.29Å; E448-F451 WeakPolarHBondContact O-CB 3.49Å; E448-F451 PolarHBondContact O-N 2.83Å; E448-C452 WeakPolarHBondContact O-CB 3.36Å; E448-C452 PolarHBondContact O-N 2.96Å; E448-Q459 VanDerWaalsContact CG-NE2 3.28Å; E448-Q459 PolarHBondContact OE1-NE2 2.99Å
449R86.9Confident92.1Very high123 Ų12352.7 Ų52.746%0.46425%0.252SS..Hα-helixtrans-58.8-52.6173.9-70.7170.3-159.9-178.24.5111.3W447 F451 C452 E453 Q459W447-R449 VanDerWaalsContact C-N 3.29Å; W447-R449 PolarHBondContact O-N 3.08Å; R449-F451 VanDerWaalsContact C-N 3.29Å; R449-F451 PolarHBondContact O-N 3.27Å; R449-C452 WeakPolarHBondContact O-CB 3.44Å; R449-C452 PolarHBondContact O-N 2.78Å; R449-C452 VanDerWaalsContact O-N 3.15Å; R449-E453 VanDerWaalsContact O-CG 3.29Å; R449-E453 WeakPolarHBondContact O-CG 3.46Å; R449-E453 PolarHBondContact O-N 2.74Å; R449-Q459 VanDerWaalsContact CG-OE1 3.25Å
450S91.6Very high91.4Very high34 Ų3455.2 Ų55.224%0.23827%0.27CS..Hα-helixtrans-69.9-28.4179.9-157.70000112W447 R454W447-S450 PolarHBondContact O-N 3.19Å; W447-S450 VanDerWaalsContact O-N 3.14Å; S450-R454 VanDerWaalsContact O-CB 3.27Å; S450-R454 WeakPolarHBondContact O-CB 3.42Å; S450-R454 VanDerWaalsContact O-CD 3.29Å; S450-R454 WeakPolarHBondContact O-CD 3.16Å; S450-R454 WeakPolarHBondContact O-CG 3.34Å; S450-R454 PolarHBondContact O-N 3.1Å; S450-R454 VanDerWaalsContact O-N 3.08Å; S450-R454 PolarHBondContact OG-NE 3.29Å; S450-R454 PolarHBondContact OG-NH2 3.08Å
451F94.9Very high91.2Very high13 Ų1354.7 Ų54.76%0.05727%0.268CS..Hα-helixtrans-63.3-47.5168.4-179-89.9000111.9F421 A438 W439 A442 W447 E448 R449 N455 L457F421-F451 HydrophobicContact CE1-CZ 4.01Å; F421-F451 HydrophobicContact CZ-CE2 4.49Å; F421-F451 AromaticContact CZ-CZ 3.79Å; F421-F451 HydrophobicContact CZ-CZ 3.79Å; A438-F451 HydrophobicContact CB-CE1 4.39Å; A438-F451 HydrophobicContact CB-CE2 3.72Å; A438-F451 HydrophobicContact CB-CZ 3.43Å; A438-F451 VanDerWaalsContact CB-CZ 3.43Å; W439-F451 VanDerWaalsContact CA-CE1 3.46Å; W439-F451 HydrophobicContact CB-CD1 3.88Å; W439-F451 HydrophobicContact CB-CE1 3.68Å; A442-F451 HydrophobicContact CB-CB 3.54Å; A442-F451 HydrophobicContact CB-CD2 4.01Å; A442-F451 HydrophobicContact CB-CG 3.76Å; W447-F451 HydrophobicContact CE3-CB 3.82Å; W447-F451 HydrophobicContact CH2-CB 4.44Å; W447-F451 AromaticContact CH2-CD2 3.8Å; W447-F451 HydrophobicContact CH2-CD2 3.8Å; W447-F451 HydrophobicContact CZ3-CB 3.69Å; W447-F451 AromaticContact CZ3-CD2 3.77Å; W447-F451 HydrophobicContact CZ3-CD2 3.77Å; W447-F451 HydrophobicContact CZ3-CG 4.24Å; W447-F451 PolarHBondContact O-N 3.18Å; E448-F451 WeakPolarHBondContact O-CB 3.49Å; E448-F451 PolarHBondContact O-N 2.83Å; R449-F451 VanDerWaalsContact C-N 3.29Å; R449-F451 PolarHBondContact O-N 3.27Å; F451-N455 WeakPolarHBondContact CD2-ND2 3.16Å; F451-N455 WeakPolarHBondContact CE2-ND2 3.37Å; F451-N455 WeakPolarHBondContact O-CB 3.19Å; F451-N455 PolarHBondContact O-N 2.91Å; F451-N455 PolarHBondContact O-ND2 3.34Å; F451-L457 HydrophobicContact CD1-CD1 4.24Å; F451-L457 HydrophobicContact CE1-CD1 3.51Å; F451-L457 HydrophobicContact CZ-CD1 4.29Å
452C92.5Very high91.2Very high5 Ų548.7 Ų48.73%0.03424%0.242CC..Hα-helixtrans-61.5-49.2178.4-85.40000112.1E448 R449 R454 N455 F456 L457E448-C452 WeakPolarHBondContact O-CB 3.36Å; E448-C452 PolarHBondContact O-N 2.96Å; R449-C452 WeakPolarHBondContact O-CB 3.44Å; R449-C452 PolarHBondContact O-N 2.78Å; R449-C452 VanDerWaalsContact O-N 3.15Å; C452-R454 PolarHBondContact O-N 3.45Å; C452-N455 PolarHBondContact O-N 3.43Å; C452-F456 PolarHBondContact O-N 3.36Å; C452-L457 HydrophobicContact CB-CB 4.47Å; C452-L457 VanDerWaalsContact CB-O 3.27Å; C452-L457 WeakPolarHBondContact CB-O 3.49Å; C452-L457 PolarHBondContact O-N 2.78Å
453E88.8Confident90.8Very high98 Ų9851.2 Ų51.246%0.45826%0.256SS..Hα-helixtrans-55.6-52.1176.5-70.7162.8177.500111.6R449 N455 F456R449-E453 VanDerWaalsContact O-CG 3.29Å; R449-E453 WeakPolarHBondContact O-CG 3.46Å; R449-E453 PolarHBondContact O-N 2.74Å; E453-N455 VanDerWaalsContact C-N 3.26Å; E453-N455 PolarHBondContact O-N 3.22Å; E453-F456 PolarHBondContact O-N 3.23Å
454R91.7Very high90.7Very high167 Ų16752.3 Ų52.363%0.6327%0.265SS*.Hα-helixtrans-66.9-22.3-177-71.3169.4-174.6174.52.8114.5S450 C452S450-R454 VanDerWaalsContact O-CB 3.27Å; S450-R454 WeakPolarHBondContact O-CB 3.42Å; S450-R454 VanDerWaalsContact O-CD 3.29Å; S450-R454 WeakPolarHBondContact O-CD 3.16Å; S450-R454 WeakPolarHBondContact O-CG 3.34Å; S450-R454 PolarHBondContact O-N 3.1Å; S450-R454 VanDerWaalsContact O-N 3.08Å; S450-R454 PolarHBondContact OG-NE 3.29Å; S450-R454 PolarHBondContact OG-NH2 3.08Å; C452-R454 PolarHBondContact O-N 3.45Å
455N93.4Very high90.8Very high23 Ų2349.9 Ų49.912%0.12325%0.248CC..Hα-helixtrans-111.63.2-174.8-66.9-74.2000113.8S417 F421 F451 C452 E453 L457S417-N455 VanDerWaalsContact OG-CA 3.27Å; S417-N455 WeakPolarHBondContact OG-CA 3.4Å; S417-N455 PolarHBondContact OG-O 3.04Å; F421-N455 HydrophobicContact CE2-CB 4.09Å; F421-N455 HydrophobicContact CZ-CB 4.11Å; F451-N455 WeakPolarHBondContact CD2-ND2 3.16Å; F451-N455 WeakPolarHBondContact CE2-ND2 3.37Å; F451-N455 WeakPolarHBondContact O-CB 3.19Å; F451-N455 PolarHBondContact O-N 2.91Å; F451-N455 PolarHBondContact O-ND2 3.34Å; C452-N455 PolarHBondContact O-N 3.43Å; E453-N455 VanDerWaalsContact C-N 3.26Å; E453-N455 PolarHBondContact O-N 3.22Å; N455-L457 HydrophobicContact CB-CD1 3.8Å; N455-L457 HydrophobicContact CB-CG 4.06Å
456F93.1Very high90.8Very high30 Ų3045.5 Ų45.513%0.13223%0.228CC..THydrogen-bonded Turntrans59.149-176.3-52.1-91000112.2F402 T403 P405 Q410 A413 A414 C452 E453F402-F456 CarbonylContact C-O 3.41Å; F402-F456 VanDerWaalsContact CA-O 3.31Å; F402-F456 WeakPolarHBondContact CA-O 3.33Å; T403-F456 PolarHBondContact N-O 3.04Å; T403-F456 VanDerWaalsContact OG1-C 3.27Å; T403-F456 PolarHBondContact OG1-O 3.25Å; T403-F456 VanDerWaalsContact OG1-O 3.11Å; P405-F456 HydrophobicContact CB-CD1 3.98Å; P405-F456 HydrophobicContact CB-CE1 3.98Å; Q410-F456 HydrophobicContact CB-CE1 3.99Å; Q410-F456 HydrophobicContact CB-CZ 4.24Å; A413-F456 HydrophobicContact CB-CE2 4Å; A413-F456 HydrophobicContact CB-CZ 3.96Å; A414-F456 VanDerWaalsContact CA-CD2 3.48Å; A414-F456 HydrophobicContact CB-CB 4.08Å; A414-F456 HydrophobicContact CB-CD1 4.05Å; A414-F456 HydrophobicContact CB-CD2 3.86Å; A414-F456 HydrophobicContact CB-CE1 4.47Å; A414-F456 HydrophobicContact CB-CE2 4.3Å; A414-F456 HydrophobicContact CB-CG 3.71Å; C452-F456 PolarHBondContact O-N 3.36Å; E453-F456 PolarHBondContact O-N 3.23Å
457L92.9Very high90.7Very high1 Ų144.3 Ų44.31%0.00522%0.215CC..BIsolated β-bridgetrans-117.1143-178.8-63.5168000111.9P401 F402 A435 F451 C452 N455 M462P401-L457 HydrophobicContact CB-CD2 4.32Å; P401-L457 HydrophobicContact CG-CD2 4.35Å; P401-L457 CarbonylContact O-C 3.09Å; P401-L457 VanDerWaalsContact O-CA 3.32Å; P401-L457 WeakPolarHBondContact O-CA 3.46Å; F402-L457 HydrophobicContact CD1-CD2 3.49Å; F402-L457 VanDerWaalsContact CD1-CD2 3.49Å; F402-L457 HydrophobicContact CD1-CG 4.4Å; F402-L457 HydrophobicContact CD2-CD2 4.07Å; F402-L457 HydrophobicContact CE1-CD2 3.57Å; F402-L457 HydrophobicContact CE1-CG 4.39Å; F402-L457 HydrophobicContact CE2-CD2 4.14Å; F402-L457 HydrophobicContact CG-CD2 3.77Å; F402-L457 HydrophobicContact CZ-CD2 3.91Å; A435-L457 HydrophobicContact CB-CD1 4.08Å; A435-L457 HydrophobicContact CB-CD2 4.13Å; F451-L457 HydrophobicContact CD1-CD1 4.24Å; F451-L457 HydrophobicContact CE1-CD1 3.51Å; F451-L457 HydrophobicContact CZ-CD1 4.29Å; C452-L457 HydrophobicContact CB-CB 4.47Å; C452-L457 VanDerWaalsContact CB-O 3.27Å; C452-L457 WeakPolarHBondContact CB-O 3.49Å; C452-L457 PolarHBondContact O-N 2.78Å; N455-L457 HydrophobicContact CB-CD1 3.8Å; N455-L457 HydrophobicContact CB-CG 4.06Å; L457-M462 HydrophobicContact CB-CE 4.47Å; L457-M462 HydrophobicContact CD1-CE 3.89Å; L457-M462 HydrophobicContact CD2-CE 3.99Å; L457-M462 HydrophobicContact CG-CE 4.35Å
458S89.4Confident90.6Very high9 Ų941.2 Ų41.26%0.06321%0.206CC..  trans-83.2113.6175.3171.70000111.4P401 S460 T461 M462P401-S458 PolarHBondContact O-N 3.46Å; S458-S460 PolarHBondContact O-N 2.85Å; S458-S460 PolarHBondContact OG-OG 2.99Å; S458-T461 VanDerWaalsContact CB-OG1 3.25Å; S458-T461 WeakPolarHBondContact CB-OG1 3.49Å; S458-T461 PolarHBondContact O-N 3.37Å; S458-T461 WeakPolarHBondContact OG-CB 3.49Å; S458-T461 PolarHBondContact OG-N 3.47Å; S458-T461 VanDerWaalsContact OG-N 3.14Å; S458-T461 PolarHBondContact OG-OG1 2.92Å; S458-M462 WeakPolarHBondContact O-CG 3.38Å; S458-M462 PolarHBondContact O-N 2.74Å
459Q86.2Confident90.8Very high52 Ų5240.5 Ų40.524%0.24320%0.202CC..Hα-helixtrans-59.4-45175.9176.9167.610.500111.8E448 R449 T461 M462 D463E448-Q459 VanDerWaalsContact CG-NE2 3.28Å; E448-Q459 PolarHBondContact OE1-NE2 2.99Å; R449-Q459 VanDerWaalsContact CG-OE1 3.25Å; Q459-T461 VanDerWaalsContact C-N 3.29Å; Q459-T461 PolarHBondContact O-N 2.95Å; Q459-M462 PolarHBondContact O-N 3.37Å; Q459-M462 VanDerWaalsContact O-N 3.17Å; Q459-D463 WeakPolarHBondContact CG-OD2 3.33Å; Q459-D463 PolarHBondContact O-N 3.29Å
460S82.3Confident91Very high54 Ų5438.8 Ų38.838%0.37821%0.205SC..Hα-helixtrans-64.9-32179.440.70000112.8T199 S458 M464T199-S460 PolarHBondContact OG1-OG 3.33Å; S458-S460 PolarHBondContact O-N 2.85Å; S458-S460 PolarHBondContact OG-OG 2.99Å; S460-M464 PolarHBondContact O-N 2.9Å; S460-M464 VanDerWaalsContact O-N 3.1Å
461T89.6Confident91.1Very high8 Ų842.1 Ų42.15%0.04922%0.217CC..Hα-helixtrans-69.4-43.3172-56.80000111.4Y398 R399 P401 S458 Q459 M464 I465Y398-T461 HydrophobicContact CD1-CG2 4.02Å; Y398-T461 HydrophobicContact CE1-CG2 3.97Å; R399-T461 HydrophobicContact CB-CG2 4.05Å; P401-T461 HydrophobicContact CB-CG2 4Å; S458-T461 VanDerWaalsContact CB-OG1 3.25Å; S458-T461 WeakPolarHBondContact CB-OG1 3.49Å; S458-T461 PolarHBondContact O-N 3.37Å; S458-T461 WeakPolarHBondContact OG-CB 3.49Å; S458-T461 PolarHBondContact OG-N 3.47Å; S458-T461 VanDerWaalsContact OG-N 3.14Å; S458-T461 PolarHBondContact OG-OG1 2.92Å; Q459-T461 VanDerWaalsContact C-N 3.29Å; Q459-T461 PolarHBondContact O-N 2.95Å; T461-M464 PolarHBondContact O-N 2.97Å; T461-I465 HydrophobicContact CG2-CD1 3.9Å; T461-I465 VanDerWaalsContact O-CG1 3.27Å; T461-I465 WeakPolarHBondContact O-CG1 3.45Å; T461-I465 PolarHBondContact O-N 3.15Å
462M92.8Very high91.2Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-63.9-40.2175.8-67.9-64.8-161.200112.9P401 A435 F436 W439 L457 S458 Q459 M464 I465 L466P401-M462 HydrophobicContact CB-CE 3.9Å; P401-M462 HydrophobicContact CB-SD 4Å; P401-M462 HydrophobicContact CG-CE 4.08Å; P401-M462 HydrophobicContact CG-SD 4.45Å; A435-M462 HydrophobicContact CB-CE 3.94Å; F436-M462 HydrophobicContact CB-SD 4.28Å; F436-M462 HydrophobicContact CD2-SD 3.75Å; F436-M462 HydrophobicContact CG-SD 4.46Å; W439-M462 HydrophobicContact CB-CE 4.2Å; W439-M462 HydrophobicContact CB-CG 4.48Å; W439-M462 HydrophobicContact CD2-CB 3.52Å; W439-M462 HydrophobicContact CD2-CG 3.88Å; W439-M462 HydrophobicContact CE3-CB 3.81Å; W439-M462 HydrophobicContact CE3-CG 4.36Å; W439-M462 HydrophobicContact CG-CB 4.09Å; W439-M462 HydrophobicContact CG-CG 3.92Å; W439-M462 HydrophobicContact CH2-CB 3.76Å; W439-M462 HydrophobicContact CZ2-CB 3.46Å; W439-M462 VanDerWaalsContact CZ2-CB 3.46Å; W439-M462 HydrophobicContact CZ3-CB 3.93Å; L457-M462 HydrophobicContact CB-CE 4.47Å; L457-M462 HydrophobicContact CD1-CE 3.89Å; L457-M462 HydrophobicContact CD2-CE 3.99Å; L457-M462 HydrophobicContact CG-CE 4.35Å; S458-M462 WeakPolarHBondContact O-CG 3.38Å; S458-M462 PolarHBondContact O-N 2.74Å; Q459-M462 PolarHBondContact O-N 3.37Å; Q459-M462 VanDerWaalsContact O-N 3.17Å; M462-M464 VanDerWaalsContact C-N 3.33Å; M462-M464 PolarHBondContact O-N 2.83Å; M462-I465 PolarHBondContact O-N 3.3Å; M462-I465 HydrophobicContact SD-CD1 4.48Å; M462-L466 WeakPolarHBondContact O-CB 3.44Å; M462-L466 PolarHBondContact O-N 2.96Å
463D86.9Confident91.3Very high53 Ų5342.3 Ų42.328%0.28322%0.218SC..Hα-helixtrans-60.2-41.3172.8-82.6-60.2000111.6R443 Q459 L466 G467R443-D463 IonicContact CZ-OD1 2.67Å; R443-D463 IonicContact NH1-OD1 3.2Å; R443-D463 PolarHBondContact NH1-OD1 2.88Å; R443-D463 IonicContact NH1-OD2 3.22Å; R443-D463 IonicContact NH2-OD1 3.93Å; R443-D463 PolarHBondContact NH2-OD1 2.79Å; Q459-D463 WeakPolarHBondContact CG-OD2 3.33Å; Q459-D463 PolarHBondContact O-N 3.29Å; D463-L466 PolarHBondContact O-N 2.97Å; D463-G467 PolarHBondContact O-N 3.45Å
464M89.1Confident91.6Very high90 Ų9039.3 Ų39.344%0.44321%0.213SC..Hα-helixtrans-65.9-44.9175.6-169.662.570.600112.4Y398 S460 T461 M462 L466 G467 M468Y398-M464 HydrophobicContact CD1-CB 4.16Å; Y398-M464 HydrophobicContact CD1-CG 3.97Å; Y398-M464 HydrophobicContact CD2-CG 4.19Å; Y398-M464 HydrophobicContact CE1-CB 3.75Å; Y398-M464 HydrophobicContact CE1-CG 3.71Å; Y398-M464 HydrophobicContact CE2-CG 3.96Å; Y398-M464 HydrophobicContact CG-CG 4.21Å; S460-M464 PolarHBondContact O-N 2.9Å; S460-M464 VanDerWaalsContact O-N 3.1Å; T461-M464 PolarHBondContact O-N 2.97Å; M462-M464 VanDerWaalsContact C-N 3.33Å; M462-M464 PolarHBondContact O-N 2.83Å; M464-L466 VanDerWaalsContact C-N 3.27Å; M464-L466 PolarHBondContact O-N 3Å; M464-G467 WeakPolarHBondContact O-CA 3.21Å; M464-G467 PolarHBondContact O-N 2.8Å; M464-M468 HydrophobicContact CG-SD 4.15Å; M464-M468 PolarHBondContact O-N 3.03Å
465I94.1Very high91.7Very high0 Ų034.9 Ų34.90%020%0.199CC..Hα-helixtrans-59.7-38.9176.9-66.6162.5000110.7C394 T395 P401 F436 T461 M462 R469C394-I465 HydrophobicContact CB-CG2 4.07Å; T395-I465 HydrophobicContact CG2-CD1 3.86Å; P401-I465 HydrophobicContact CB-CD1 4.35Å; F436-I465 HydrophobicContact CD2-CB 4.3Å; F436-I465 HydrophobicContact CD2-CG2 3.75Å; F436-I465 HydrophobicContact CE2-CB 4Å; F436-I465 HydrophobicContact CE2-CG2 3.6Å; F436-I465 HydrophobicContact CZ-CG2 4.47Å; T461-I465 HydrophobicContact CG2-CD1 3.9Å; T461-I465 VanDerWaalsContact O-CG1 3.27Å; T461-I465 WeakPolarHBondContact O-CG1 3.45Å; T461-I465 PolarHBondContact O-N 3.15Å; M462-I465 PolarHBondContact O-N 3.3Å; M462-I465 HydrophobicContact SD-CD1 4.48Å; I465-R469 WeakPolarHBondContact O-CB 3.43Å; I465-R469 PolarHBondContact O-N 3.4Å
466L92.8Very high91.9Very high8 Ų833.8 Ų33.84%0.04219%0.193CC..Hα-helixtrans-66.1-37.6174.6179.858.8000112.5F436 W439 M462 D463 M464 T470 M706F436-L466 HydrophobicContact CE2-CB 4.15Å; F436-L466 HydrophobicContact CZ-CB 3.95Å; F436-L466 HydrophobicContact CZ-CD1 4.04Å; W439-L466 HydrophobicContact CH2-CB 4.38Å; W439-L466 HydrophobicContact CH2-CD2 4.01Å; W439-L466 HydrophobicContact CZ3-CB 4.34Å; W439-L466 HydrophobicContact CZ3-CD2 4.1Å; M462-L466 WeakPolarHBondContact O-CB 3.44Å; M462-L466 PolarHBondContact O-N 2.96Å; D463-L466 PolarHBondContact O-N 2.97Å; M464-L466 VanDerWaalsContact C-N 3.27Å; M464-L466 PolarHBondContact O-N 3Å; L466-T470 PolarHBondContact O-N 2.95Å; L466-T470 VanDerWaalsContact O-N 3.15Å; L466-T470 PolarHBondContact O-OG1 3.28Å; L466-M706 HydrophobicContact CD2-CE 4.41Å; L466-M706 HydrophobicContact CD2-CG 4.03Å; L466-M706 HydrophobicContact CD2-SD 3.63Å; L466-M706 HydrophobicContact CG-CG 4.38Å; L466-M706 HydrophobicContact CG-SD 4.41Å
467G89.1Confident91.9Very high37 Ų3737.9 Ų37.938%0.38121%0.208SC..Hα-helixtrans-62.5-54.2171.800000112.3D463 M464 R469 T470 Q471D463-G467 PolarHBondContact O-N 3.45Å; M464-G467 WeakPolarHBondContact O-CA 3.21Å; M464-G467 PolarHBondContact O-N 2.8Å; G467-R469 VanDerWaalsContact C-N 3.34Å; G467-R469 PolarHBondContact O-N 3.32Å; G467-T470 WeakPolarHBondContact O-CA 3.42Å; G467-T470 WeakPolarHBondContact O-CB 3.37Å; G467-T470 PolarHBondContact O-N 3.31Å; G467-Q471 PolarHBondContact O-N 3.03Å
468M93Very high91.9Very high35 Ų3541.6 Ų41.617%0.17224%0.239CC..Hα-helixtrans-59.6-41.7178.2-70.3173.474.300112.2C394 A397 Y398 M464 T470 Q471 L472C394-M468 HydrophobicContact CB-CB 4.12Å; A397-M468 HydrophobicContact CB-CE 4.06Å; Y398-M468 HydrophobicContact CD2-SD 4.24Å; Y398-M468 HydrophobicContact CG-SD 3.99Å; M464-M468 HydrophobicContact CG-SD 4.15Å; M464-M468 PolarHBondContact O-N 3.03Å; M468-T470 PolarHBondContact O-N 2.93Å; M468-Q471 PolarHBondContact O-N 3.45Å; M468-L472 VanDerWaalsContact O-CB 3.31Å; M468-L472 WeakPolarHBondContact O-CB 3.39Å; M468-L472 PolarHBondContact O-N 2.92Å
469R94.9Very high92.1Very high11 Ų1142.8 Ų42.84%0.04224%0.244CC..Hα-helixtrans-56.6-39.8172.5171.1173176.785.815.3112D387 L390 T391 C394 I465 G467 L473D387-R469 PolarHBondContact O-NH1 3.45Å; D387-R469 IonicContact OD1-NH2 2.61Å; D387-R469 PolarHBondContact OD1-NH2 2.62Å; D387-R469 IonicContact OD2-NH2 2.82Å; D387-R469 PolarHBondContact OD2-NH2 3.29Å; L390-R469 HydrophobicContact CD2-CG 4.2Å; L390-R469 HydrophobicContact CG-CG 4.12Å; T391-R469 PolarHBondContact OG1-NH1 3.35Å; C394-R469 VanDerWaalsContact SG-CA 3.54Å; C394-R469 PolarHBondContact SG-N 3.15Å; C394-R469 VanDerWaalsContact SG-N 3.44Å; I465-R469 WeakPolarHBondContact O-CB 3.43Å; I465-R469 PolarHBondContact O-N 3.4Å; G467-R469 VanDerWaalsContact C-N 3.34Å; G467-R469 PolarHBondContact O-N 3.32Å; R469-L473 VanDerWaalsContact O-CB 3.27Å; R469-L473 WeakPolarHBondContact O-CB 3.35Å; R469-L473 PolarHBondContact O-N 2.87Å; R469-L473 VanDerWaalsContact O-N 3.08Å
470T92.3Very high92.3Very high86 Ų8640.8 Ų40.853%0.52824%0.238SC..Hα-helixtrans-70.3-42.4179.1-56.80000111.3L466 G467 M468 G474L466-T470 PolarHBondContact O-N 2.95Å; L466-T470 VanDerWaalsContact O-N 3.15Å; L466-T470 PolarHBondContact O-OG1 3.28Å; G467-T470 WeakPolarHBondContact O-CA 3.42Å; G467-T470 WeakPolarHBondContact O-CB 3.37Å; G467-T470 PolarHBondContact O-N 3.31Å; M468-T470 PolarHBondContact O-N 2.93Å; T470-G474 PolarHBondContact O-N 3.47Å
471Q93.5Very high92.9Very high105 Ų10538.5 Ų38.549%0.49122%0.221SC..Hα-helixtrans-63.7-49.2175.5179.9179.8-11.600112.1P368 G467 M468 G474 Q475P368-Q471 HydrophobicContact CG-CG 4.29Å; G467-Q471 PolarHBondContact O-N 3.03Å; M468-Q471 PolarHBondContact O-N 3.45Å; Q471-G474 CarbonylContact O-C 3.55Å; Q471-G474 VanDerWaalsContact O-CA 3.25Å; Q471-G474 WeakPolarHBondContact O-CA 3.48Å; Q471-G474 PolarHBondContact O-N 3.45Å; Q471-Q475 PolarHBondContact O-N 3.25Å
472L96.1Very high93.2Very high2 Ų238.2 Ų38.21%0.0122%0.219CC..Hα-helixtrans-66.5-39.4-177.4-175.555.6000111.7L367 P368 V369 V377 L390 M468 G474 Q475 L476L367-L472 HydrophobicContact CB-CD1 4.25Å; L367-L472 HydrophobicContact CD2-CD1 3.76Å; L367-L472 HydrophobicContact CG-CD1 4.43Å; P368-L472 HydrophobicContact CG-CD1 4.38Å; V369-L472 HydrophobicContact CG1-CD2 3.84Å; V369-L472 HydrophobicContact CG2-CD2 4.49Å; V377-L472 HydrophobicContact CG2-CD2 4.38Å; L390-L472 HydrophobicContact CD1-CB 3.95Å; L390-L472 HydrophobicContact CD1-CD2 3.62Å; L390-L472 HydrophobicContact CD1-CG 3.66Å; M468-L472 VanDerWaalsContact O-CB 3.31Å; M468-L472 WeakPolarHBondContact O-CB 3.39Å; M468-L472 PolarHBondContact O-N 2.92Å; L472-G474 VanDerWaalsContact C-N 3.25Å; L472-G474 PolarHBondContact O-N 2.8Å; L472-Q475 PolarHBondContact O-N 3.19Å; L472-L476 WeakPolarHBondContact O-CG 3.29Å; L472-L476 PolarHBondContact O-N 3.11Å
473L95.4Very high93.1Very high20 Ų2043.3 Ų43.311%0.10524%0.238CC..Hα-helixtrans-64.1-30.9168.7-175.757.2000112.6L386 L390 R469 R477 V482 I490L386-L473 HydrophobicContact CD2-CD1 4.28Å; L390-L473 HydrophobicContact CD2-CB 4.02Å; L390-L473 HydrophobicContact CD2-CD1 4.3Å; R469-L473 VanDerWaalsContact O-CB 3.27Å; R469-L473 WeakPolarHBondContact O-CB 3.35Å; R469-L473 PolarHBondContact O-N 2.87Å; R469-L473 VanDerWaalsContact O-N 3.08Å; L473-R477 WeakPolarHBondContact O-CD 3.2Å; L473-R477 VanDerWaalsContact O-CG 3.26Å; L473-R477 WeakPolarHBondContact O-CG 3.48Å; L473-R477 PolarHBondContact O-N 3.44Å; L473-V482 HydrophobicContact CD1-CG1 4.27Å; L473-V482 HydrophobicContact CD1-CG2 4.36Å; L473-I490 HydrophobicContact CD1-CD1 3.96Å; L473-I490 HydrophobicContact CD2-CD1 4.41Å
474G94.1Very high93Very high34 Ų3445.3 Ų45.335%0.35126%0.262SS..Hα-helixtrans-61-48.1170.700000112.1T470 Q471 L472 R477 A478T470-G474 PolarHBondContact O-N 3.47Å; Q471-G474 CarbonylContact O-C 3.55Å; Q471-G474 VanDerWaalsContact O-CA 3.25Å; Q471-G474 WeakPolarHBondContact O-CA 3.48Å; Q471-G474 PolarHBondContact O-N 3.45Å; L472-G474 VanDerWaalsContact C-N 3.25Å; L472-G474 PolarHBondContact O-N 2.8Å; G474-R477 WeakPolarHBondContact O-CB 3.44Å; G474-R477 PolarHBondContact O-N 3.12Å; G474-R477 VanDerWaalsContact O-N 3.16Å; G474-A478 PolarHBondContact O-N 3.44Å
475Q95.1Very high92.6Very high74 Ų7451.3 Ų51.335%0.34628%0.28SS..Hα-helixtrans-68.6-41.2179.2-57.8-58.318.200112.7L367 P368 Q471 L472 R477 A478 I479L367-Q475 HydrophobicContact CD2-CB 4.25Å; P368-Q475 HydrophobicContact CG-CG 4.5Å; Q471-Q475 PolarHBondContact O-N 3.25Å; L472-Q475 PolarHBondContact O-N 3.19Å; Q475-R477 PolarHBondContact O-N 3.04Å; Q475-R477 VanDerWaalsContact O-N 3.09Å; Q475-A478 PolarHBondContact O-N 3.49Å; Q475-I479 HydrophobicContact CB-CD1 4.49Å; Q475-I479 WeakPolarHBondContact O-CB 3.37Å; Q475-I479 VanDerWaalsContact O-CG1 3.29Å; Q475-I479 WeakPolarHBondContact O-CG1 3.46Å; Q475-I479 PolarHBondContact O-N 3.22Å
476L96.2Very high91.9Very high0 Ų053.6 Ų53.60%030%0.304CS..Hα-helixtrans-57-27.4172.1-67.9172.8000113L367 V377 L378 V381 L386 L472 G480 F481 V482L367-L476 HydrophobicContact CD2-CD2 4.17Å; V377-L476 HydrophobicContact CG1-CD1 3.7Å; V377-L476 HydrophobicContact CG1-CD2 4.14Å; V377-L476 HydrophobicContact CG1-CG 4.41Å; L378-L476 HydrophobicContact CD2-CD2 3.93Å; V381-L476 HydrophobicContact CG2-CD2 4.44Å; L386-L476 HydrophobicContact CD1-CD1 3.93Å; L386-L476 HydrophobicContact CD2-CD1 4.2Å; L472-L476 WeakPolarHBondContact O-CG 3.29Å; L472-L476 PolarHBondContact O-N 3.11Å; L476-G480 PolarHBondContact O-N 3.22Å; L476-F481 HydrophobicContact CD2-CB 4.27Å; L476-F481 PolarHBondContact O-N 3.42Å; L476-V482 HydrophobicContact CB-CB 4.48Å; L476-V482 HydrophobicContact CB-CG2 3.99Å; L476-V482 PolarHBondContact O-N 3.13Å
477R94.6Very high91.2Very high117 Ų11755.4 Ų55.444%0.44232%0.324SS..Hα-helixtrans-81.3-37.1172.7-70.1166.1169.2-170.2-4.7113.5L473 G474 Q475 G480 V482L473-R477 WeakPolarHBondContact O-CD 3.2Å; L473-R477 VanDerWaalsContact O-CG 3.26Å; L473-R477 WeakPolarHBondContact O-CG 3.48Å; L473-R477 PolarHBondContact O-N 3.44Å; G474-R477 WeakPolarHBondContact O-CB 3.44Å; G474-R477 PolarHBondContact O-N 3.12Å; G474-R477 VanDerWaalsContact O-N 3.16Å; Q475-R477 PolarHBondContact O-N 3.04Å; Q475-R477 VanDerWaalsContact O-N 3.09Å; R477-G480 PolarHBondContact O-N 3.33Å; R477-V482 WeakPolarHBondContact CA-O 3.27Å; R477-V482 HydrophobicContact CG-CB 3.95Å; R477-V482 HydrophobicContact CG-CG1 4.06Å; R477-V482 WeakPolarHBondContact CG-O 3.45Å
478A92.1Very high91.1Very high78 Ų7854.1 Ų54.165%0.64531%0.309SS*.Hα-helixtrans-65.7-41.9176.600000112G474 Q475 G480G474-A478 PolarHBondContact O-N 3.44Å; Q475-A478 PolarHBondContact O-N 3.49Å; A478-G480 VanDerWaalsContact C-N 3.28Å; A478-G480 PolarHBondContact O-N 2.8Å
479I92.9Very high91.1Very high34 Ų3453 Ų5317%0.17430%0.304CS..THydrogen-bonded Turntrans-72.8-22.1175.6-58.2163.5000111.4H363 D366 L367 Q475 F481H363-I479 WeakPolarHBondContact ND1-CG2 3.48Å; D366-I479 HydrophobicContact CB-CD1 4.13Å; L367-I479 HydrophobicContact CD2-CD1 3.87Å; Q475-I479 HydrophobicContact CB-CD1 4.49Å; Q475-I479 WeakPolarHBondContact O-CB 3.37Å; Q475-I479 VanDerWaalsContact O-CG1 3.29Å; Q475-I479 WeakPolarHBondContact O-CG1 3.46Å; Q475-I479 PolarHBondContact O-N 3.22Å; I479-F481 HydrophobicContact CB-CD2 4.11Å; I479-F481 HydrophobicContact CG2-CD2 3.5Å; I479-F481 VanDerWaalsContact CG2-CD2 3.5Å; I479-F481 HydrophobicContact CG2-CE2 3.54Å
480G92.3Very high91Very high11 Ų1153.3 Ų53.311%0.11331%0.306CS..THydrogen-bonded Turntrans91.510.917500000115.5L476 R477 A478 V482L476-G480 PolarHBondContact O-N 3.22Å; R477-G480 PolarHBondContact O-N 3.33Å; A478-G480 VanDerWaalsContact C-N 3.28Å; A478-G480 PolarHBondContact O-N 2.8Å; G480-V482 VanDerWaalsContact C-N 3.3Å
481F94.8Very high91Very high5 Ų557.6 Ų57.62%0.02231%0.312CS..SBendtrans-66-30.4169.3-80.6-74.8000112.6H363 L378 V381 L476 I479 I662 P665H363-F481 HydrophobicContact CB-CE2 4.36Å; H363-F481 AromaticContact CD2-CZ 3.92Å; H363-F481 AromaticContact CE1-CE2 3.88Å; H363-F481 AromaticContact CG-CE2 3.8Å; H363-F481 AromaticContact ND1-CE2 3.71Å; H363-F481 AromaticContact NE2-CZ 3.98Å; L378-F481 HydrophobicContact CD2-CD1 4.22Å; L378-F481 HydrophobicContact CD2-CD2 3.72Å; L378-F481 HydrophobicContact CD2-CE1 4.08Å; L378-F481 HydrophobicContact CD2-CE2 3.56Å; L378-F481 HydrophobicContact CD2-CG 4.06Å; L378-F481 HydrophobicContact CD2-CZ 3.77Å; V381-F481 HydrophobicContact CG1-CB 4.23Å; V381-F481 HydrophobicContact CG1-CD1 4.24Å; V381-F481 HydrophobicContact CG2-CB 4.47Å; L476-F481 HydrophobicContact CD2-CB 4.27Å; L476-F481 PolarHBondContact O-N 3.42Å; I479-F481 HydrophobicContact CB-CD2 4.11Å; I479-F481 HydrophobicContact CG2-CD2 3.5Å; I479-F481 VanDerWaalsContact CG2-CD2 3.5Å; I479-F481 HydrophobicContact CG2-CE2 3.54Å; F481-I662 HydrophobicContact CE1-CD1 4.06Å; F481-I662 HydrophobicContact CZ-CD1 3.86Å; F481-P665 HydrophobicContact CD1-CB 3.66Å; F481-P665 HydrophobicContact CD2-CB 4.17Å; F481-P665 HydrophobicContact CE1-CB 3.72Å; F481-P665 HydrophobicContact CE2-CB 4.22Å; F481-P665 HydrophobicContact CE2-CG 4.46Å; F481-P665 HydrophobicContact CG-CB 3.89Å; F481-P665 HydrophobicContact CZ-CB 4Å; F481-P665 HydrophobicContact CZ-CG 4.41Å
482V94.9Very high91Very high2 Ų253.9 Ų53.91%0.01230%0.296CS..SBendtrans-123.2123.8175.9-179.40000110L386 L473 L476 R477 G480 I490 V493L386-V482 HydrophobicContact CD2-CG2 3.74Å; L473-V482 HydrophobicContact CD1-CG1 4.27Å; L473-V482 HydrophobicContact CD1-CG2 4.36Å; L476-V482 HydrophobicContact CB-CB 4.48Å; L476-V482 HydrophobicContact CB-CG2 3.99Å; L476-V482 PolarHBondContact O-N 3.13Å; R477-V482 WeakPolarHBondContact CA-O 3.27Å; R477-V482 HydrophobicContact CG-CB 3.95Å; R477-V482 HydrophobicContact CG-CG1 4.06Å; R477-V482 WeakPolarHBondContact CG-O 3.45Å; G480-V482 VanDerWaalsContact C-N 3.3Å; V482-I490 HydrophobicContact CG1-CB 4.32Å; V482-I490 HydrophobicContact CG1-CD1 4.21Å; V482-V493 HydrophobicContact CG2-CG1 4.48Å; V482-V493 HydrophobicContact CG2-CG2 4.22Å
483R90.6Very high91Very high107 Ų10754 Ų5440%0.40430%0.297SS..BIsolated β-bridgetrans-100.7161.1-176-64.4175.770.3-141.912.2111.5G487 S488 D489R483-G487 WeakPolarHBondContact CD-O 3.36Å; R483-G487 PolarHBondContact NH1-O 3.43Å; R483-S488 PolarHBondContact N-O 3.33Å; R483-D489 WeakPolarHBondContact O-CA 3.44Å
484A84.3Confident91Very high95 Ų9554.1 Ų54.179%0.78530%0.298SS*.SBendtrans-76.6-31.2-178.900000113.3
485R81.4Confident91.1Very high217 Ų21757.8 Ų57.882%0.81931%0.309SS*.SBendtrans-154.9151.2-179.9-61.2-175.6-178.6174.4-0.1109.9
486G79.9Confident91.3Very high48 Ų4855.1 Ų55.150%0.49530%0.297SS..SBendtrans90.6-160.7175.700000113.2D489G486-D489 WeakPolarHBondContact O-CB 3.39Å; G486-D489 PolarHBondContact O-N 3.43Å
487G78.4Confident91.3Very high45 Ų4555.2 Ų55.246%0.46430%0.297SS..THydrogen-bonded Turntrans-58.3143.7172.200000111.8R483 D489R483-G487 WeakPolarHBondContact CD-O 3.36Å; R483-G487 PolarHBondContact NH1-O 3.43Å; G487-D489 VanDerWaalsContact C-N 3.27Å; G487-D489 PolarHBondContact O-N 3.18Å
488S86.4Confident91.3Very high10 Ų1053.3 Ų53.37%0.0729%0.294CS..THydrogen-bonded Turntrans6020.9-164.6-45.10000115.3R483 D492R483-S488 PolarHBondContact N-O 3.33Å; S488-D492 WeakPolarHBondContact CA-OD2 3.47Å; S488-D492 PolarHBondContact N-OD2 2.92Å
489D92.1Very high91.6Very high11 Ų1151 Ų516%0.05927%0.271CS..BIsolated β-bridgetrans-71.8169.7168.290.326.4000113R483 G486 G487 R491 D492 V493R483-D489 WeakPolarHBondContact O-CA 3.44Å; G486-D489 WeakPolarHBondContact O-CB 3.39Å; G486-D489 PolarHBondContact O-N 3.43Å; G487-D489 VanDerWaalsContact C-N 3.27Å; G487-D489 PolarHBondContact O-N 3.18Å; D489-R491 PolarHBondContact O-N 3.43Å; D489-R491 VanDerWaalsContact OD1-CB 3.32Å; D489-R491 WeakPolarHBondContact OD1-CB 3.41Å; D489-R491 PolarHBondContact OD1-N 2.83Å; D489-R491 IonicContact OD1-NE 3.03Å; D489-R491 PolarHBondContact OD1-NE 2.91Å; D489-R491 IonicContact OD1-NH2 2.91Å; D489-R491 IonicContact OD2-CZ 2.79Å; D489-R491 IonicContact OD2-NE 2.71Å; D489-R491 PolarHBondContact OD2-NE 3.07Å; D489-R491 IonicContact OD2-NH2 3.23Å; D489-R491 PolarHBondContact OD2-NH2 2.81Å; D489-D492 PolarHBondContact O-N 3.09Å; D489-V493 PolarHBondContact O-N 3.43Å
490I93.4Very high91.7Very high18 Ų1849.5 Ų49.59%0.09226%0.262CS..THydrogen-bonded Turntrans-62-6.2-174.7-165.750.9000115L386 L473 V482 V493 N494L386-I490 HydrophobicContact CD2-CD1 4.27Å; L473-I490 HydrophobicContact CD1-CD1 3.96Å; L473-I490 HydrophobicContact CD2-CD1 4.41Å; V482-I490 HydrophobicContact CG1-CB 4.32Å; V482-I490 HydrophobicContact CG1-CD1 4.21Å; I490-V493 HydrophobicContact CD1-CG2 4.1Å; I490-N494 PolarHBondContact O-ND2 3.34Å
491R93.1Very high91.9Very high176 Ų17649 Ų4966%0.66426%0.257SS*.THydrogen-bonded Turntrans-96.8-41.2170.1-58.5167.6-67.5172.91.6111.4D489 N494 L495D489-R491 PolarHBondContact O-N 3.43Å; D489-R491 VanDerWaalsContact OD1-CB 3.32Å; D489-R491 WeakPolarHBondContact OD1-CB 3.41Å; D489-R491 PolarHBondContact OD1-N 2.83Å; D489-R491 IonicContact OD1-NE 3.03Å; D489-R491 PolarHBondContact OD1-NE 2.91Å; D489-R491 IonicContact OD1-NH2 2.91Å; D489-R491 IonicContact OD2-CZ 2.79Å; D489-R491 IonicContact OD2-NE 2.71Å; D489-R491 PolarHBondContact OD2-NE 3.07Å; D489-R491 IonicContact OD2-NH2 3.23Å; D489-R491 PolarHBondContact OD2-NH2 2.81Å; R491-N494 CarbonylContact O-C 3.58Å; R491-N494 WeakPolarHBondContact O-CA 3.31Å; R491-N494 PolarHBondContact O-N 2.91Å; R491-N494 VanDerWaalsContact O-N 3.1Å; R491-L495 PolarHBondContact O-N 3.27Å
492D93.5Very high92.1Very high27 Ų2748.8 Ų48.814%0.14426%0.257CS..G310 helixtrans-62.1-46.4177.6-177.234.2000111.3K384 S488 D489 N494 L495K384-D492 WeakPolarHBondContact CB-O 3.3Å; K384-D492 WeakPolarHBondContact CD-O 3.3Å; K384-D492 WeakPolarHBondContact CE-OD1 3.44Å; K384-D492 WeakPolarHBondContact CG-O 3.23Å; K384-D492 IonicContact NZ-OD1 3.75Å; K384-D492 PolarHBondContact NZ-OD1 3.09Å; K384-D492 IonicContact NZ-OD2 3.91Å; S488-D492 WeakPolarHBondContact CA-OD2 3.47Å; S488-D492 PolarHBondContact N-OD2 2.92Å; D489-D492 PolarHBondContact O-N 3.09Å; D492-N494 PolarHBondContact O-N 2.91Å; D492-L495 WeakPolarHBondContact O-CG 3.31Å; D492-L495 PolarHBondContact O-N 3.22Å
493V95.2Very high92.2Very high4 Ų448.7 Ų48.72%0.02426%0.256CS..G310 helixtrans-69.78.2174.9-52.40000114.3V381 K384 C385 L386 V482 D489 I490V381-V493 HydrophobicContact CG1-CB 4.5Å; V381-V493 HydrophobicContact CG1-CG1 4.03Å; K384-V493 CarbonylContact C-O 3.45Å; K384-V493 WeakPolarHBondContact CA-O 3.44Å; K384-V493 CarbonylContact O-C 3.49Å; C385-V493 PolarHBondContact N-O 2.85Å; L386-V493 HydrophobicContact CB-CB 4.48Å; L386-V493 HydrophobicContact CB-CG2 4.17Å; L386-V493 VanDerWaalsContact CB-O 3.29Å; L386-V493 WeakPolarHBondContact CB-O 3.49Å; L386-V493 HydrophobicContact CD2-CG2 3.74Å; L386-V493 PolarHBondContact N-O 3.36Å; L386-V493 VanDerWaalsContact N-O 3.09Å; V482-V493 HydrophobicContact CG2-CG1 4.48Å; V482-V493 HydrophobicContact CG2-CG2 4.22Å; D489-V493 PolarHBondContact O-N 3.43Å; I490-V493 HydrophobicContact CD1-CG2 4.1Å
494N96.5Very high92.6Very high23 Ų2343.7 Ų43.712%0.12324%0.237CC..G310 helixtrans-132.46.3-176.4-89.6-51.3000113.8K384 L386 D387 I490 R491 D492 N496 S497K384-N494 CarbonylContact O-C 3.49Å; K384-N494 WeakPolarHBondContact O-CA 3.48Å; K384-N494 PolarHBondContact O-N 3.13Å; L386-N494 PolarHBondContact N-OD1 2.86Å; D387-N494 VanDerWaalsContact CB-OD1 3.24Å; D387-N494 WeakPolarHBondContact CB-OD1 3.39Å; D387-N494 PolarHBondContact N-OD1 2.83Å; D387-N494 PolarHBondContact OD1-ND2 2.97Å; I490-N494 PolarHBondContact O-ND2 3.34Å; R491-N494 CarbonylContact O-C 3.58Å; R491-N494 WeakPolarHBondContact O-CA 3.31Å; R491-N494 PolarHBondContact O-N 2.91Å; R491-N494 VanDerWaalsContact O-N 3.1Å; D492-N494 PolarHBondContact O-N 2.91Å; N494-N496 PolarHBondContact O-N 3.23Å; N494-S497 WeakPolarHBondContact CA-OG 3.39Å; N494-S497 WeakPolarHBondContact O-CB 3.42Å; N494-S497 PolarHBondContact O-N 3.18Å; N494-S497 VanDerWaalsContact O-N 3.1Å; N494-S497 PolarHBondContact O-OG 3.29Å; N494-S497 PolarHBondContact OD1-OG 2.86Å
495L96.3Very high93.2Very high112 Ų11239.1 Ų39.159%0.58620%0.2SC*.THydrogen-bonded Turntrans-56.8-33.7-178.4-70.4176.3000113.6K384 R491 D492K384-L495 HydrophobicContact CB-CB 4.42Å; K384-L495 HydrophobicContact CD-CD1 4.16Å; K384-L495 PolarHBondContact O-N 3.15Å; K384-L495 VanDerWaalsContact O-N 3.15Å; R491-L495 PolarHBondContact O-N 3.27Å; D492-L495 WeakPolarHBondContact O-CG 3.31Å; D492-L495 PolarHBondContact O-N 3.22Å
496N97.6Very high94Very high17 Ų1728.8 Ų28.89%0.09116%0.161CC..THydrogen-bonded Turntrans-100.76.4-178.7-59.7-32.8000113L383 K384 C385 N494 E498 N499 V502 I677 V681L383-N496 WeakPolarHBondContact O-CB 3.46Å; L383-N496 PolarHBondContact O-ND2 3.38Å; K384-N496 WeakPolarHBondContact O-CA 3.39Å; K384-N496 PolarHBondContact O-N 3.22Å; C385-N496 HydrophobicContact CB-CB 4.47Å; N494-N496 PolarHBondContact O-N 3.23Å; N496-E498 PolarHBondContact O-N 3.37Å; N496-E498 VanDerWaalsContact O-N 3.12Å; N496-N499 PolarHBondContact O-N 3.42Å; N496-V502 HydrophobicContact CB-CB 4.45Å; N496-V502 HydrophobicContact CB-CG1 3.89Å; N496-I677 WeakPolarHBondContact ND2-CG2 2.84Å; N496-V681 HydrophobicContact CB-CG2 4.49Å; N496-V681 WeakPolarHBondContact ND2-CG2 3.21Å
497S97.1Very high94.9Very high2 Ų226.5 Ų26.51%0.01414%0.137CC..THydrogen-bonded Turntrans-64.8-16-175.6-69.50000114.7C385 L386 N494 G700C385-S497 VanDerWaalsContact CA-OG 3.23Å; C385-S497 WeakPolarHBondContact CA-OG 3.46Å; L386-S497 PolarHBondContact N-OG 3.26Å; N494-S497 WeakPolarHBondContact CA-OG 3.39Å; N494-S497 WeakPolarHBondContact O-CB 3.42Å; N494-S497 PolarHBondContact O-N 3.18Å; N494-S497 VanDerWaalsContact O-N 3.1Å; N494-S497 PolarHBondContact O-OG 3.29Å; N494-S497 PolarHBondContact OD1-OG 2.86Å; S497-G700 VanDerWaalsContact O-CA 3.22Å; S497-G700 WeakPolarHBondContact O-CA 3.5Å; S497-G700 PolarHBondContact O-N 2.96Å; S497-G700 VanDerWaalsContact O-N 3.15Å
498E95.3Very high95.8Very high78 Ų7824.4 Ų24.436%0.36412%0.115SC..THydrogen-bonded Turntrans-85.2-13.9170.6-71.2-63.5159.800113.6N496 Q695 G698 I699 G700 Q701N496-E498 PolarHBondContact O-N 3.37Å; N496-E498 VanDerWaalsContact O-N 3.12Å; E498-Q695 PolarHBondContact O-NE2 2.77Å; E498-G698 VanDerWaalsContact OE1-CA 3.28Å; E498-G698 WeakPolarHBondContact OE1-CA 3.39Å; E498-G698 WeakPolarHBondContact OE2-CA 3.38Å; E498-G698 PolarHBondContact OE2-N 3.39Å; E498-I699 PolarHBondContact OE1-N 3.2Å; E498-I699 PolarHBondContact OE2-N 3.2Å; E498-G700 WeakPolarHBondContact OE1-CA 3.37Å; E498-G700 PolarHBondContact OE1-N 3.07Å; E498-G700 PolarHBondContact OE2-N 2.85Å; E498-Q701 PolarHBondContact OE1-N 2.98Å
499N96.7Very high96.3Very high30 Ų3024.2 Ų24.216%0.1611%0.114CC..  trans-87.8115.3176.9-178.2-45.4000110.2N496 A501 V502 V503N496-N499 PolarHBondContact O-N 3.42Å; N499-A501 WeakPolarHBondContact OD1-CB 3.45Å; N499-A501 PolarHBondContact OD1-N 3.42Å; N499-V502 HydrophobicContact CB-CB 4.17Å; N499-V502 HydrophobicContact CB-CG2 4.04Å; N499-V502 VanDerWaalsContact CG-CG2 3.5Å; N499-V502 WeakPolarHBondContact OD1-CG2 3.42Å; N499-V502 PolarHBondContact OD1-N 3.02Å; N499-V503 WeakPolarHBondContact O-CG2 3.4Å; N499-V503 PolarHBondContact O-N 3.33Å
500W96.4Very high96.4Very high1 Ų123.8 Ų23.80%0.00411%0.112CC..Hα-helixtrans-76.3-32.1-174.1-176.7-128.6000112.8S427 M430 V502 V503 K504 L507 P696 I699S427-W500 WeakPolarHBondContact OG-CZ2 3.47Å; M430-W500 HydrophobicContact CB-CH2 4.2Å; M430-W500 HydrophobicContact CB-CZ2 4.05Å; M430-W500 HydrophobicContact CE-CD2 3.32Å; M430-W500 HydrophobicContact CE-CE3 3.33Å; M430-W500 HydrophobicContact CE-CG 4.1Å; M430-W500 HydrophobicContact CE-CH2 3.56Å; M430-W500 HydrophobicContact CE-CZ2 3.51Å; M430-W500 HydrophobicContact CE-CZ3 3.43Å; M430-W500 VanDerWaalsContact CE-CZ3 3.43Å; W500-V502 VanDerWaalsContact C-N 3.31Å; W500-V502 PolarHBondContact O-N 3.25Å; W500-V503 HydrophobicContact CE3-CB 3.69Å; W500-V503 HydrophobicContact CE3-CG1 3.63Å; W500-V503 HydrophobicContact CE3-CG2 4.43Å; W500-V503 HydrophobicContact CH2-CG1 4.35Å; W500-V503 HydrophobicContact CZ3-CB 3.98Å; W500-V503 HydrophobicContact CZ3-CG1 3.35Å; W500-V503 CarbonylContact O-C 3.56Å; W500-V503 PolarHBondContact O-N 3.44Å; W500-K504 VanDerWaalsContact CD1-CE 3.5Å; W500-K504 HydrophobicContact CD2-CG 4.38Å; W500-K504 HydrophobicContact CZ2-CG 4.21Å; W500-K504 WeakPolarHBondContact O-CG 3.24Å; W500-K504 PolarHBondContact O-N 2.84Å; W500-L507 HydrophobicContact CH2-CD1 4.08Å; W500-P696 HydrophobicContact CB-CG 3.79Å; W500-P696 HydrophobicContact CD2-CG 4.43Å; W500-P696 HydrophobicContact CG-CG 3.85Å; W500-I699 HydrophobicContact CB-CD1 3.72Å; W500-I699 HydrophobicContact CD2-CD1 4.31Å; W500-I699 HydrophobicContact CE3-CD1 3.78Å; W500-I699 HydrophobicContact CG-CD1 4.33Å
501A97Very high96.6Very high1 Ų123 Ų231%0.00811%0.108CC..Hα-helixtrans-60.6-41.8173.500000111.6N499 K504 A505 L684 E688N499-A501 WeakPolarHBondContact OD1-CB 3.45Å; N499-A501 PolarHBondContact OD1-N 3.42Å; A501-K504 PolarHBondContact O-N 2.84Å; A501-A505 PolarHBondContact O-N 3.18Å; A501-L684 HydrophobicContact CB-CB 3.88Å; A501-L684 WeakPolarHBondContact CB-O 3.33Å; A501-E688 HydrophobicContact CB-CB 4.26Å; A501-E688 HydrophobicContact CB-CG 3.56Å
502V97.9Very high96.6Very high1 Ų114.9 Ų14.91%0.0068%0.078CC..Hα-helixtrans-69.7-31.9176.3178.90000111.9L383 C385 N496 N499 W500 A506 V681 L684L383-V502 HydrophobicContact CB-CG1 3.93Å; L383-V502 HydrophobicContact CD2-CG1 4.39Å; C385-V502 HydrophobicContact CB-CG1 4.07Å; N496-V502 HydrophobicContact CB-CB 4.45Å; N496-V502 HydrophobicContact CB-CG1 3.89Å; N499-V502 HydrophobicContact CB-CB 4.17Å; N499-V502 HydrophobicContact CB-CG2 4.04Å; N499-V502 VanDerWaalsContact CG-CG2 3.5Å; N499-V502 WeakPolarHBondContact OD1-CG2 3.42Å; N499-V502 PolarHBondContact OD1-N 3.02Å; W500-V502 VanDerWaalsContact C-N 3.31Å; W500-V502 PolarHBondContact O-N 3.25Å; V502-A506 PolarHBondContact O-N 2.86Å; V502-V681 HydrophobicContact CG2-CB 4.19Å; V502-V681 HydrophobicContact CG2-CG1 4.3Å; V502-V681 HydrophobicContact CG2-CG2 3.83Å; V502-L684 HydrophobicContact CG2-CD1 4.27Å
503V98.1Very high96.5Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-68.9-42.4169.7176.30000110.6C385 P388 I389 N499 W500 A505 A506 L507 I699C385-V503 HydrophobicContact CB-CG2 3.96Å; P388-V503 HydrophobicContact CB-CG1 4.3Å; P388-V503 HydrophobicContact CB-CG2 4.3Å; P388-V503 HydrophobicContact CG-CG1 4.31Å; P388-V503 HydrophobicContact CG-CG2 3.56Å; I389-V503 HydrophobicContact CD1-CG1 3.69Å; I389-V503 HydrophobicContact CG1-CG1 4Å; N499-V503 WeakPolarHBondContact O-CG2 3.4Å; N499-V503 PolarHBondContact O-N 3.33Å; W500-V503 HydrophobicContact CE3-CB 3.69Å; W500-V503 HydrophobicContact CE3-CG1 3.63Å; W500-V503 HydrophobicContact CE3-CG2 4.43Å; W500-V503 HydrophobicContact CH2-CG1 4.35Å; W500-V503 HydrophobicContact CZ3-CB 3.98Å; W500-V503 HydrophobicContact CZ3-CG1 3.35Å; W500-V503 CarbonylContact O-C 3.56Å; W500-V503 PolarHBondContact O-N 3.44Å; V503-A505 VanDerWaalsContact C-N 3.33Å; V503-A505 PolarHBondContact O-N 3.04Å; V503-A506 WeakPolarHBondContact O-CB 3.43Å; V503-A506 PolarHBondContact O-N 3Å; V503-L507 WeakPolarHBondContact O-CG 3.49Å; V503-L507 PolarHBondContact O-N 3.01Å; V503-I699 HydrophobicContact CG2-CD1 4.48Å
504K97.8Very high96.4Very high1 Ų115.6 Ų15.60%0.0048%0.082CC..Hα-helixtrans-62.2-36.6174.1-70.6-166.3-157.8173.50112.9W500 A501 A506 L507 V508 V582 V583 E688W500-K504 VanDerWaalsContact CD1-CE 3.5Å; W500-K504 HydrophobicContact CD2-CG 4.38Å; W500-K504 HydrophobicContact CZ2-CG 4.21Å; W500-K504 WeakPolarHBondContact O-CG 3.24Å; W500-K504 PolarHBondContact O-N 2.84Å; A501-K504 PolarHBondContact O-N 2.84Å; K504-A506 VanDerWaalsContact C-N 3.32Å; K504-A506 PolarHBondContact O-N 2.95Å; K504-L507 CarbonylContact O-C 3.59Å; K504-L507 WeakPolarHBondContact O-CA 3.2Å; K504-L507 WeakPolarHBondContact O-CB 3.45Å; K504-L507 PolarHBondContact O-N 2.99Å; K504-L507 VanDerWaalsContact O-N 3.12Å; K504-V508 WeakPolarHBondContact O-CG2 3.27Å; K504-V508 PolarHBondContact O-N 2.99Å; K504-V582 WeakPolarHBondContact CD-O 3.47Å; K504-V582 WeakPolarHBondContact CE-O 3.44Å; K504-V582 PolarHBondContact NZ-O 3.45Å; K504-V583 HydrophobicContact CB-CG1 4.39Å; K504-V583 HydrophobicContact CD-CG1 4.1Å; K504-E688 WeakPolarHBondContact CD-OE1 3.1Å; K504-E688 WeakPolarHBondContact CE-OE1 3.25Å; K504-E688 IonicContact NZ-OE1 2.9Å; K504-E688 PolarHBondContact NZ-OE1 2.88Å; K504-E688 IonicContact NZ-OE2 2.65Å
505A98.1Very high96.2Very high0 Ų014.5 Ų14.50%08%0.076CC..Hα-helixtrans-57.7-43.7173.100000112.3L383 A501 V503 V508 A509 T587 F591 L684L383-A505 HydrophobicContact CD1-CB 4.02Å; A501-A505 PolarHBondContact O-N 3.18Å; V503-A505 VanDerWaalsContact C-N 3.33Å; V503-A505 PolarHBondContact O-N 3.04Å; A505-V508 PolarHBondContact O-N 3.19Å; A505-A509 PolarHBondContact O-N 2.85Å; A505-T587 HydrophobicContact CB-CG2 4.1Å; A505-F591 HydrophobicContact CB-CD1 4.16Å; A505-F591 HydrophobicContact CB-CD2 3.63Å; A505-F591 HydrophobicContact CB-CE1 4.02Å; A505-F591 HydrophobicContact CB-CE2 3.51Å; A505-F591 HydrophobicContact CB-CG 3.99Å; A505-F591 HydrophobicContact CB-CZ 3.72Å; A505-L684 HydrophobicContact CB-CD1 3.75Å
506A98.3Very high96.1Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-64-41.7172.200000112.2M376 A380 L383 I389 V502 V503 K504 V508 A509 G510M376-A506 WeakPolarHBondContact CG-O 3.46Å; A380-A506 HydrophobicContact CB-CB 4Å; L383-A506 HydrophobicContact CD1-CB 3.92Å; I389-A506 HydrophobicContact CD1-CB 3.72Å; I389-A506 HydrophobicContact CG1-CB 3.76Å; V502-A506 PolarHBondContact O-N 2.86Å; V503-A506 WeakPolarHBondContact O-CB 3.43Å; V503-A506 PolarHBondContact O-N 3Å; K504-A506 VanDerWaalsContact C-N 3.32Å; K504-A506 PolarHBondContact O-N 2.95Å; A506-V508 PolarHBondContact O-N 3.38Å; A506-A509 PolarHBondContact O-N 3.39Å; A506-G510 PolarHBondContact O-N 3.14Å
507L98.2Very high95.8Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-60.2-42.1174.3-63176.9000112M376 I389 I392 H429 W500 V503 K504 G510 M511 I564M376-L507 HydrophobicContact CE-CD2 4.5Å; M376-L507 HydrophobicContact CG-CD2 4.49Å; M376-L507 HydrophobicContact SD-CD2 3.62Å; I389-L507 HydrophobicContact CD1-CD2 3.47Å; I389-L507 VanDerWaalsContact CD1-CD2 3.47Å; I389-L507 HydrophobicContact CD1-CG 3.73Å; I392-L507 HydrophobicContact CD1-CD2 4.24Å; I392-L507 HydrophobicContact CG2-CD2 4.02Å; H429-L507 HydrophobicContact CB-CD1 3.94Å; W500-L507 HydrophobicContact CH2-CD1 4.08Å; V503-L507 WeakPolarHBondContact O-CG 3.49Å; V503-L507 PolarHBondContact O-N 3.01Å; K504-L507 CarbonylContact O-C 3.59Å; K504-L507 WeakPolarHBondContact O-CA 3.2Å; K504-L507 WeakPolarHBondContact O-CB 3.45Å; K504-L507 PolarHBondContact O-N 2.99Å; K504-L507 VanDerWaalsContact O-N 3.12Å; L507-G510 PolarHBondContact O-N 3.5Å; L507-M511 WeakPolarHBondContact O-CB 3.29Å; L507-M511 VanDerWaalsContact O-CG 3.24Å; L507-M511 WeakPolarHBondContact O-CG 3.39Å; L507-M511 PolarHBondContact O-N 3.41Å; L507-I564 HydrophobicContact CB-CD1 3.44Å; L507-I564 VanDerWaalsContact CB-CD1 3.44Å; L507-I564 HydrophobicContact CD1-CD1 4.44Å
508V97.6Very high95.4Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-62.1-47.2176.5171.80000110.8K504 A505 A506 G510 M511 Y512 I564 V583 T587 F591K504-V508 WeakPolarHBondContact O-CG2 3.27Å; K504-V508 PolarHBondContact O-N 2.99Å; A505-V508 PolarHBondContact O-N 3.19Å; A506-V508 PolarHBondContact O-N 3.38Å; V508-G510 PolarHBondContact O-N 3.5Å; V508-M511 PolarHBondContact O-N 3.07Å; V508-Y512 WeakPolarHBondContact O-CB 3.39Å; V508-Y512 PolarHBondContact O-N 3.48Å; V508-I564 HydrophobicContact CG2-CD1 4.25Å; V508-I564 HydrophobicContact CG2-CG2 3.9Å; V508-V583 HydrophobicContact CG2-CB 4.11Å; V508-V583 HydrophobicContact CG2-CG1 3.74Å; V508-V583 HydrophobicContact CG2-CG2 4.24Å; V508-T587 HydrophobicContact CB-CG2 4.42Å; V508-T587 HydrophobicContact CG2-CG2 3.89Å; V508-F591 HydrophobicContact CB-CB 4.05Å; V508-F591 HydrophobicContact CG1-CB 3.76Å
509A95.6Very high94.9Very high7 Ų710.8 Ų10.86%0.0586%0.057CC..Hα-helixtrans-64.8-23.217900000113.9C379 A505 A506 F591C379-A509 HydrophobicContact CB-CB 4.06Å; A505-A509 PolarHBondContact O-N 2.85Å; A506-A509 PolarHBondContact O-N 3.39Å; A509-F591 HydrophobicContact CB-CB 4.26Å; A509-F591 HydrophobicContact CB-CD1 4.28Å
510G95.9Very high94Very high1 Ų115.5 Ų15.51%0.018%0.076CC..Hα-helixtrans-85.9-40.7173.500000114.3H372 A506 L507 V508H372-G510 WeakPolarHBondContact CB-O 3.39Å; H372-G510 PolarHBondContact CD2-O 3.35Å; H372-G510 WeakPolarHBondContact O-CA 3.12Å; A506-G510 PolarHBondContact O-N 3.14Å; L507-G510 PolarHBondContact O-N 3.5Å; V508-G510 PolarHBondContact O-N 3.5Å
511M95.8Very high93Very high1 Ų125.2 Ų25.21%0.00512%0.118CC..Hα-helixtrans-81.9-23.9-176.1-66.8-62.8149.700113.1L373 M376 L396 L507 V508 N514 I564 Y565 D566L373-M511 HydrophobicContact CD2-CE 3.93Å; M376-M511 HydrophobicContact SD-CE 3.83Å; L396-M511 HydrophobicContact CD1-CE 3.43Å; L396-M511 VanDerWaalsContact CD1-CE 3.43Å; L507-M511 WeakPolarHBondContact O-CB 3.29Å; L507-M511 VanDerWaalsContact O-CG 3.24Å; L507-M511 WeakPolarHBondContact O-CG 3.39Å; L507-M511 PolarHBondContact O-N 3.41Å; V508-M511 PolarHBondContact O-N 3.07Å; M511-N514 WeakPolarHBondContact O-CA 3.47Å; M511-N514 WeakPolarHBondContact O-CB 3.35Å; M511-N514 PolarHBondContact O-N 3.23Å; M511-I564 HydrophobicContact CB-CB 4.07Å; M511-I564 HydrophobicContact CB-CG2 4.3Å; M511-I564 HydrophobicContact CG-CB 4.37Å; M511-I564 HydrophobicContact CG-CD1 4.21Å; M511-Y565 VanDerWaalsContact SD-O 3.36Å; M511-D566 HydrophobicContact SD-CB 4.49Å
512Y93.1Very high92.1Very high7 Ų729.3 Ų29.33%0.02714%0.143CC..THydrogen-bonded Turntrans-52.9127.4-178-176.7-94.9000112.5T347 V508 M515 G593 D632 W634 L635T347-Y512 HydrophobicContact CG2-CD1 4.27Å; T347-Y512 HydrophobicContact CG2-CE1 3.73Å; V508-Y512 WeakPolarHBondContact O-CB 3.39Å; V508-Y512 PolarHBondContact O-N 3.48Å; Y512-M515 HydrophobicContact CD2-SD 3.89Å; Y512-M515 HydrophobicContact CE2-SD 4.44Å; Y512-G593 VanDerWaalsContact CD1-N 3.33Å; Y512-G593 VanDerWaalsContact CE1-N 3.25Å; Y512-G593 VanDerWaalsContact CE2-N 3.33Å; Y512-G593 VanDerWaalsContact CZ-N 3.29Å; Y512-D632 WeakPolarHBondContact CE1-OD2 3.28Å; Y512-D632 VanDerWaalsContact CZ-OD2 3.31Å; Y512-D632 VanDerWaalsContact OH-CB 3.25Å; Y512-D632 WeakPolarHBondContact OH-CB 3.45Å; Y512-D632 PolarHBondContact OH-OD2 3.12Å; Y512-W634 AromaticContact CE2-CZ2 3.86Å; Y512-W634 HydrophobicContact CE2-CZ2 3.86Å; Y512-W634 PolarHBondContact OH-NE1 2.3Å; Y512-L635 HydrophobicContact CE2-CD1 3.82Å
513P91.5Very high91.1Very high9 Ų931 Ų316%0.05816%0.155CC..THydrogen-bonded Turncis-99.721.113.140.2-36.6000115.7M344 T347 M515 W634M344-P513 VanDerWaalsContact CE-CD 3.5Å; M344-P513 HydrophobicContact SD-CG 4.25Å; T347-P513 HydrophobicContact CG2-CG 4.46Å; P513-M515 VanDerWaalsContact C-N 3.3Å; P513-M515 PolarHBondContact O-N 2.73Å; P513-W634 HydrophobicContact CB-CZ2 4.49Å
514N93.6Very high90.4Very high36 Ų3633.6 Ų33.619%0.19317%0.169CC..  trans-72.580178.8-68.6-6.9000111.8M511 Y565 D566M511-N514 WeakPolarHBondContact O-CA 3.47Å; M511-N514 WeakPolarHBondContact O-CB 3.35Å; M511-N514 PolarHBondContact O-N 3.23Å; N514-Y565 HydrophobicContact CB-CD1 4.29Å; N514-Y565 HydrophobicContact CB-CD2 3.82Å; N514-Y565 HydrophobicContact CB-CE1 4.01Å; N514-Y565 HydrophobicContact CB-CE2 3.46Å; N514-Y565 VanDerWaalsContact CB-CE2 3.46Å; N514-Y565 HydrophobicContact CB-CG 4.21Å; N514-Y565 WeakPolarHBondContact CB-O 3.49Å; N514-Y565 PolarHBondContact O-N 2.87Å; N514-Y565 VanDerWaalsContact O-N 3.1Å; N514-D566 PolarHBondContact ND2-O 3.42Å
515M93.3Very high90Very high1 Ų133.8 Ų33.81%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-133153.9-175.1-48.5-163.365.700112.6Y512 P513 S527 W562 L563 I564 Y565 V583 V588 W634Y512-M515 HydrophobicContact CD2-SD 3.89Å; Y512-M515 HydrophobicContact CE2-SD 4.44Å; P513-M515 VanDerWaalsContact C-N 3.3Å; P513-M515 PolarHBondContact O-N 2.73Å; M515-S527 WeakPolarHBondContact O-CB 3.37Å; M515-W562 HydrophobicContact CE-CE3 4.33Å; M515-L563 CarbonylContact C-O 3.42Å; M515-L563 VanDerWaalsContact CA-O 3.28Å; M515-L563 WeakPolarHBondContact CA-O 3.4Å; M515-I564 HydrophobicContact CE-CG2 3.77Å; M515-I564 HydrophobicContact CG-CG2 4.28Å; M515-Y565 VanDerWaalsContact N-CE1 3.3Å; M515-V583 HydrophobicContact CE-CG2 4.4Å; M515-V588 HydrophobicContact CE-CB 4.1Å; M515-V588 HydrophobicContact CE-CG1 3.44Å; M515-V588 VanDerWaalsContact CE-CG1 3.44Å; M515-V588 HydrophobicContact CE-CG2 3.49Å; M515-V588 VanDerWaalsContact CE-CG2 3.49Å; M515-V588 HydrophobicContact SD-CG1 3.77Å; M515-W634 HydrophobicContact CB-CH2 4Å; M515-W634 HydrophobicContact CG-CH2 4.41Å; M515-W634 HydrophobicContact SD-CH2 4.43Å
516V93.6Very high89.6Confident0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-131.1131175.2164.30000108.8L525 T526 V533 L563 Y565 V577V516-L525 HydrophobicContact CG1-CB 3.71Å; V516-L525 HydrophobicContact CG1-CD2 3.99Å; V516-L525 HydrophobicContact CG1-CG 4.31Å; V516-T526 CarbonylContact C-O 3.55Å; V516-T526 WeakPolarHBondContact CA-O 3.29Å; V516-V533 HydrophobicContact CG2-CG1 4.16Å; V516-L563 HydrophobicContact CB-CB 4.1Å; V516-L563 HydrophobicContact CB-CD1 4.42Å; V516-L563 HydrophobicContact CG1-CD1 3.98Å; V516-L563 PolarHBondContact N-O 3.25Å; V516-L563 PolarHBondContact O-N 2.8Å; V516-Y565 HydrophobicContact CG2-CD1 3.92Å; V516-Y565 HydrophobicContact CG2-CE1 3.96Å; V516-V577 HydrophobicContact CG2-CG1 4.15Å
517H91.7Very high89.1Confident63 Ų6336.5 Ų36.529%0.29219%0.187SC..EExtended strand (participates in β ladder)trans-90.7142.8167.8178.3-98.1000110.2T526 D561 W562H517-T526 PolarHBondContact N-O 2.9Å; H517-T526 PolarHBondContact O-N 3.05Å; H517-T526 PolarHBondContact O-OG1 3.03Å; H517-D561 CarbonylContact C-O 3.58Å; H517-D561 WeakPolarHBondContact CA-O 3.36Å; H517-W562 HydrophobicContact CB-CE3 4.14Å; H517-W562 HydrophobicContact CB-CH2 3.96Å; H517-W562 HydrophobicContact CB-CZ3 3.75Å; H517-W562 AromaticContact CD2-CE2 3.84Å; H517-W562 AromaticContact CD2-CZ2 3.73Å
518V89.1Confident88.4Confident6 Ų639.6 Ų39.64%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-108.9114.6179.7-172.70000108.9K520 L525 L558 D561 L563V518-K520 PolarHBondContact O-N 2.72Å; V518-L525 HydrophobicContact CB-CD2 4.26Å; V518-L525 HydrophobicContact CG1-CD2 4.12Å; V518-L525 HydrophobicContact CG2-CD2 3.75Å; V518-L558 HydrophobicContact CG1-CD1 4.06Å; V518-L558 HydrophobicContact CG2-CD1 3.84Å; V518-D561 PolarHBondContact N-O 2.75Å; V518-L563 HydrophobicContact CG2-CD1 3.51Å; V518-L563 HydrophobicContact CG2-CG 4.16Å
519N84.5Confident87.7Confident61 Ų6144.5 Ų44.533%0.32622%0.222SC..EExtended strand (participates in β ladder)trans-80.5103.9171.9-176.2-42.5000110.1K521 T522 S523 L524N519-K521 PolarHBondContact O-N 3.27Å; N519-K521 VanDerWaalsContact O-N 3.12Å; N519-K521 WeakPolarHBondContact OD1-CA 3.47Å; N519-K521 WeakPolarHBondContact OD1-CB 3.36Å; N519-K521 PolarHBondContact OD1-N 2.85Å; N519-T522 WeakPolarHBondContact CB-OG1 3.42Å; N519-T522 PolarHBondContact O-N 3.49Å; N519-T522 PolarHBondContact OD1-N 3.04Å; N519-T522 VanDerWaalsContact OD1-N 3.08Å; N519-T522 PolarHBondContact OD1-OG1 3.46Å; N519-S523 VanDerWaalsContact O-CA 3.23Å; N519-S523 WeakPolarHBondContact O-CA 3.15Å; N519-S523 PolarHBondContact O-N 3.45Å; N519-L524 PolarHBondContact N-O 2.8Å
520K77.3Confident87.3Confident130 Ų13045.7 Ų45.757%0.56523%0.226SC*.THydrogen-bonded Turntrans-55.9-29.8-179.5-54.3-167.9-162.1-176.70114.1V518 D561V518-K520 PolarHBondContact O-N 2.72Å; K520-D561 WeakPolarHBondContact CE-OD1 3.46Å; K520-D561 WeakPolarHBondContact CE-OD2 3.19Å; K520-D561 VanDerWaalsContact CG-OD1 3.27Å; K520-D561 WeakPolarHBondContact CG-OD1 3.26Å; K520-D561 IonicContact NZ-OD1 3.27Å; K520-D561 IonicContact NZ-OD2 3.08Å; K520-D561 PolarHBondContact NZ-OD2 2.9Å
521K76.2Confident86.7Confident204 Ų20454.6 Ų54.689%0.88727%0.265SS*.THydrogen-bonded Turntrans-76.4-41.7-177.2-61.7-177.1-179.81790112.2N519N519-K521 PolarHBondContact O-N 3.27Å; N519-K521 VanDerWaalsContact O-N 3.12Å; N519-K521 WeakPolarHBondContact OD1-CA 3.47Å; N519-K521 WeakPolarHBondContact OD1-CB 3.36Å; N519-K521 PolarHBondContact OD1-N 2.85Å
522T77.7Confident86.4Confident88 Ų8858.9 Ų58.954%0.5428%0.284SS..THydrogen-bonded Turntrans-100.9-7.3-178.6610000113.9N519 L524N519-T522 WeakPolarHBondContact CB-OG1 3.42Å; N519-T522 PolarHBondContact O-N 3.49Å; N519-T522 PolarHBondContact OD1-N 3.04Å; N519-T522 VanDerWaalsContact OD1-N 3.08Å; N519-T522 PolarHBondContact OD1-OG1 3.46Å; T522-L524 PolarHBondContact O-N 2.97Å; T522-L524 VanDerWaalsContact O-N 3.13Å; T522-L524 VanDerWaalsContact OG1-CB 3.27Å; T522-L524 WeakPolarHBondContact OG1-CB 3.22Å; T522-L524 PolarHBondContact OG1-N 2.63Å
523S75.7Confident86.3Confident36 Ų3658.8 Ų58.825%0.25228%0.284SS..THydrogen-bonded Turntrans53.720.4-167.8-59.40000114.4N519N519-S523 VanDerWaalsContact O-CA 3.23Å; N519-S523 WeakPolarHBondContact O-CA 3.15Å; N519-S523 PolarHBondContact O-N 3.45Å
524L84.5Confident86.3Confident55 Ų5560.9 Ų60.929%0.28829%0.292SS..EExtended strand (participates in β ladder)trans-82.6135-179.3-173.565.1000111N519 T522 T526 K532N519-L524 PolarHBondContact N-O 2.8Å; T522-L524 PolarHBondContact O-N 2.97Å; T522-L524 VanDerWaalsContact O-N 3.13Å; T522-L524 VanDerWaalsContact OG1-CB 3.27Å; T522-L524 WeakPolarHBondContact OG1-CB 3.22Å; T522-L524 PolarHBondContact OG1-N 2.63Å; L524-T526 HydrophobicContact CD2-CG2 4.09Å; L524-T526 HydrophobicContact CG-CG2 4.15Å; L524-K532 HydrophobicContact CD1-CB 3.95Å; L524-K532 HydrophobicContact CD1-CD 3.77Å; L524-K532 HydrophobicContact CD1-CG 3.62Å
525L89.1Confident86.1Confident5 Ų560.2 Ų60.23%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-95127.2171.5-57.9-179.3000110V516 V518 V533 F535 L546 L563V516-L525 HydrophobicContact CG1-CB 3.71Å; V516-L525 HydrophobicContact CG1-CD2 3.99Å; V516-L525 HydrophobicContact CG1-CG 4.31Å; V518-L525 HydrophobicContact CB-CD2 4.26Å; V518-L525 HydrophobicContact CG1-CD2 4.12Å; V518-L525 HydrophobicContact CG2-CD2 3.75Å; L525-V533 HydrophobicContact CB-CB 4Å; L525-V533 WeakPolarHBondContact CB-O 3.29Å; L525-V533 PolarHBondContact O-N 3.39Å; L525-F535 HydrophobicContact CD1-CD1 4.42Å; L525-F535 HydrophobicContact CD1-CD2 4.2Å; L525-F535 HydrophobicContact CD1-CE1 4.14Å; L525-F535 HydrophobicContact CD1-CE2 3.91Å; L525-F535 HydrophobicContact CD1-CG 4.45Å; L525-F535 HydrophobicContact CD1-CZ 3.87Å; L525-F535 HydrophobicContact CD2-CZ 4.41Å; L525-L546 HydrophobicContact CD1-CD1 4.49Å; L525-L546 HydrophobicContact CD2-CD1 4.44Å; L525-L546 HydrophobicContact CG-CD1 4.37Å; L525-L563 HydrophobicContact CD2-CD1 3.97Å
526T90Very high86Confident38 Ų3862 Ų6223%0.23330%0.296CS..EExtended strand (participates in β ladder)trans-130.4136.6-178.151.50000111V516 H517 L524V516-T526 CarbonylContact C-O 3.55Å; V516-T526 WeakPolarHBondContact CA-O 3.29Å; H517-T526 PolarHBondContact N-O 2.9Å; H517-T526 PolarHBondContact O-N 3.05Å; H517-T526 PolarHBondContact O-OG1 3.03Å; L524-T526 HydrophobicContact CD2-CG2 4.09Å; L524-T526 HydrophobicContact CG-CG2 4.15Å
527S88.1Confident85.6Confident19 Ų1966.3 Ų66.313%0.13332%0.324CS..  trans-107.9175.8164.779.70000110.9M515 R529 E530M515-S527 WeakPolarHBondContact O-CB 3.37Å; S527-R529 PolarHBondContact O-N 3.23Å; S527-R529 VanDerWaalsContact O-N 3.15Å; S527-R529 PolarHBondContact OG-N 3.41Å; S527-E530 PolarHBondContact N-O 2.88Å; S527-E530 PolarHBondContact OG-N 2.95Å
528N83.1Confident85.4Confident64 Ų6465.2 Ų65.234%0.34232%0.322SS..SBendtrans-62.3-13.9174.1623.2000114.6W634N528-W634 HydrophobicContact CB-CD2 3.71Å; N528-W634 HydrophobicContact CB-CE3 3.76Å; N528-W634 HydrophobicContact CB-CG 4.13Å; N528-W634 HydrophobicContact CB-CZ3 4.2Å
529R82.8Confident85.4Confident104 Ų10465 Ų6539%0.39232%0.321SS..SBendtrans-121-24.2178.2-66.4-179.7-172.2-125.6-7.9114L249 S250 S527L249-R529 PolarHBondContact O-NH1 3.07Å; S250-R529 WeakPolarHBondContact O-CD 3.39Å; S527-R529 PolarHBondContact O-N 3.23Å; S527-R529 VanDerWaalsContact O-N 3.15Å; S527-R529 PolarHBondContact OG-N 3.41Å
530E86.2Confident85.6Confident31 Ų3162.6 Ų62.615%0.14531%0.308CS..  trans-121.4117-172.9-72-71.3150.500112.5S527 K532 V533 M568 R570 A575S527-E530 PolarHBondContact N-O 2.88Å; S527-E530 PolarHBondContact OG-N 2.95Å; E530-K532 VanDerWaalsContact C-N 3.34Å; E530-K532 PolarHBondContact O-N 2.86Å; E530-V533 HydrophobicContact CB-CG2 3.7Å; E530-M568 HydrophobicContact CB-SD 4.31Å; E530-M568 HydrophobicContact CG-SD 3.79Å; E530-R570 IonicContact OE1-CZ 3.42Å; E530-R570 IonicContact OE1-NH1 3.79Å; E530-R570 IonicContact OE1-NH2 3.24Å; E530-R570 PolarHBondContact OE1-NH2 3.3Å; E530-R570 IonicContact OE2-NH2 2.68Å; E530-R570 PolarHBondContact OE2-NH2 3.42Å; E530-A575 HydrophobicContact CB-CB 4.44Å; E530-A575 HydrophobicContact CG-CB 4.07Å
531K85.1Confident86Confident188 Ų18856.6 Ų56.682%0.81728%0.282SS*.SBendtrans-74.4-14.3-176.7-64.4-174180-178.10115.1
532K88.5Confident86.4Confident92 Ų9249 Ų4940%0.426%0.255SS..SBendtrans-148.4107.5172.8-179.9160.1-179.1168.70110.9L524 E530 H534 E548L524-K532 HydrophobicContact CD1-CB 3.95Å; L524-K532 HydrophobicContact CD1-CD 3.77Å; L524-K532 HydrophobicContact CD1-CG 3.62Å; E530-K532 VanDerWaalsContact C-N 3.34Å; E530-K532 PolarHBondContact O-N 2.86Å; K532-H534 WeakPolarHBondContact CE-NE2 3.45Å; K532-E548 IonicContact NZ-OE1 3.27Å
533V90.7Very high86Confident4 Ų448.2 Ų48.22%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-108.7159.2179.3-177.90000109.8V516 L525 E530 M568 V577V516-V533 HydrophobicContact CG2-CG1 4.16Å; L525-V533 HydrophobicContact CB-CB 4Å; L525-V533 WeakPolarHBondContact CB-O 3.29Å; L525-V533 PolarHBondContact O-N 3.39Å; E530-V533 HydrophobicContact CB-CG2 3.7Å; V533-M568 HydrophobicContact CG1-CE 4.08Å; V533-M568 HydrophobicContact CG2-CE 3.82Å; V533-V577 HydrophobicContact CG1-CB 4.34Å; V533-V577 HydrophobicContact CG1-CG1 3.69Å; V533-V577 HydrophobicContact CG1-CG2 3.88Å
534H90.8Very high85.6Confident53 Ų5347.8 Ų47.825%0.24524%0.24CC..EExtended strand (participates in β ladder)trans-133.9162.1173.1-5379.3000110.5K532 M574 A575 S576 V577K532-H534 WeakPolarHBondContact CE-NE2 3.45Å; H534-M574 PolarHBondContact CE1-SD 3.48Å; H534-A575 PolarHBondContact N-O 3.4Å; H534-A575 PolarHBondContact ND1-O 2.98Å; H534-S576 CarbonylContact O-C 3.47Å; H534-S576 WeakPolarHBondContact O-CA 3.46Å; H534-V577 WeakPolarHBondContact O-CG2 3.13Å; H534-V577 PolarHBondContact O-N 2.77Å
535F91.3Very high84.1Confident22 Ų2251.6 Ų51.610%0.09626%0.256CS..EExtended strand (participates in β ladder)trans-73.6131.8165.8-61.8-60.7000110.1L525 L541 L546 L558 L563 V577 C580L525-F535 HydrophobicContact CD1-CD1 4.42Å; L525-F535 HydrophobicContact CD1-CD2 4.2Å; L525-F535 HydrophobicContact CD1-CE1 4.14Å; L525-F535 HydrophobicContact CD1-CE2 3.91Å; L525-F535 HydrophobicContact CD1-CG 4.45Å; L525-F535 HydrophobicContact CD1-CZ 3.87Å; L525-F535 HydrophobicContact CD2-CZ 4.41Å; F535-L541 HydrophobicContact CD1-CB 3.79Å; F535-L541 HydrophobicContact CD1-CD1 4.27Å; F535-L541 HydrophobicContact CD2-CB 3.94Å; F535-L541 HydrophobicContact CE1-CB 3.81Å; F535-L541 HydrophobicContact CE1-CD1 3.63Å; F535-L541 HydrophobicContact CE1-CG 4.37Å; F535-L541 HydrophobicContact CE2-CB 3.95Å; F535-L541 HydrophobicContact CG-CB 3.86Å; F535-L541 HydrophobicContact CZ-CB 3.89Å; F535-L541 HydrophobicContact CZ-CD1 3.92Å; F535-L546 HydrophobicContact CE2-CD1 4.17Å; F535-L558 HydrophobicContact CE2-CD1 4.47Å; F535-L558 HydrophobicContact CZ-CD1 4.11Å; F535-L563 HydrophobicContact CE1-CD1 3.81Å; F535-L563 HydrophobicContact CE1-CD2 4.15Å; F535-L563 HydrophobicContact CZ-CD1 3.73Å; F535-L563 HydrophobicContact CZ-CD2 4.32Å; F535-V577 HydrophobicContact CD1-CG2 4.18Å; F535-C580 HydrophobicContact CD1-CB 4.32Å; F535-C580 HydrophobicContact CE1-CB 4.27Å
536H90.1Very high82.3Confident40 Ų4053.7 Ų53.719%0.18527%0.267CS..  trans-63.7141.4172.6-175.4-90.5000110.2T538 S539 V577 R578H536-T538 PolarHBondContact ND1-N 3.48Å; H536-T538 PolarHBondContact ND1-OG1 3.37Å; H536-T538 PolarHBondContact O-N 3.35Å; H536-S539 WeakPolarHBondContact O-CB 3.34Å; H536-S539 PolarHBondContact O-N 2.81Å; H536-V577 WeakPolarHBondContact CB-O 3.35Å; H536-V577 PolarHBondContact N-O 3.21Å; H536-R578 HydrophobicContact CB-CG 3.73Å; H536-R578 PolarHBondContact CE1-NH1 2.84Å; H536-R578 PolarHBondContact ND1-NH1 2.7Å; H536-R578 PolarHBondContact NE2-NH1 2.92Å
537P86.3Confident80.1Confident90 Ų9059.2 Ų59.258%0.58429%0.288SS*.THydrogen-bonded Turntrans-59.2-9-174.8-28.736.5000117.6
538T85.7Confident77.6Confident40 Ų4065.7 Ų65.725%0.24532%0.316CS..THydrogen-bonded Turntrans-90.3-16.517257.20000113.5R418 H536R418-T538 VanDerWaalsContact CD-O 3.27Å; R418-T538 WeakPolarHBondContact CD-O 3.38Å; R418-T538 PolarHBondContact NE-O 3.03Å; H536-T538 PolarHBondContact ND1-N 3.48Å; H536-T538 PolarHBondContact ND1-OG1 3.37Å; H536-T538 PolarHBondContact O-N 3.35Å
539S89.9Confident75.5Confident1 Ų170.6 Ų70.61%0.00734%0.342CS..SBendtrans-69.8137.9175.2176.40000110.5D428 H536 L541 S542D428-S539 WeakPolarHBondContact OD1-CA 3.43Å; D428-S539 WeakPolarHBondContact OD2-CA 3.37Å; D428-S539 VanDerWaalsContact OD2-CB 3.23Å; D428-S539 WeakPolarHBondContact OD2-CB 3.42Å; D428-S539 PolarHBondContact OD2-OG 3.44Å; H536-S539 WeakPolarHBondContact O-CB 3.34Å; H536-S539 PolarHBondContact O-N 2.81Å; S539-L541 PolarHBondContact O-N 3.12Å; S539-L541 PolarHBondContact OG-N 2.85Å; S539-S542 WeakPolarHBondContact O-CB 3.39Å; S539-S542 PolarHBondContact O-N 3.07Å; S539-S542 VanDerWaalsContact O-N 3.1Å; S539-S542 PolarHBondContact O-OG 3.35Å
540V87.8Confident73.2Confident11 Ų1173.1 Ų73.17%0.06736%0.364CS..G310 helixtrans-60.5-22.7173.4-62.40000113.3R418 T422 D428R418-V540 HydrophobicContact CB-CG1 4.42Å; R418-V540 HydrophobicContact CG-CG1 3.79Å; T422-V540 HydrophobicContact CG2-CB 3.79Å; T422-V540 HydrophobicContact CG2-CG1 3.58Å; T422-V540 HydrophobicContact CG2-CG2 3.67Å; D428-V540 PolarHBondContact OD1-N 3.06Å
541L87.6Confident71.2Confident3 Ų376.8 Ų76.82%0.01639%0.392CS..G310 helixtrans-78.4-19.5177.7-57.2-173.6000113.2F426 F535 S539 Q543 L544 L563 C580 V582F426-L541 HydrophobicContact CB-CD2 3.99Å; F426-L541 HydrophobicContact CD1-CD2 4.1Å; F535-L541 HydrophobicContact CD1-CB 3.79Å; F535-L541 HydrophobicContact CD1-CD1 4.27Å; F535-L541 HydrophobicContact CD2-CB 3.94Å; F535-L541 HydrophobicContact CE1-CB 3.81Å; F535-L541 HydrophobicContact CE1-CD1 3.63Å; F535-L541 HydrophobicContact CE1-CG 4.37Å; F535-L541 HydrophobicContact CE2-CB 3.95Å; F535-L541 HydrophobicContact CG-CB 3.86Å; F535-L541 HydrophobicContact CZ-CB 3.89Å; F535-L541 HydrophobicContact CZ-CD1 3.92Å; S539-L541 PolarHBondContact O-N 3.12Å; S539-L541 PolarHBondContact OG-N 2.85Å; L541-Q543 PolarHBondContact O-N 3.29Å; L541-L544 HydrophobicContact CB-CD1 4.4Å; L541-L544 HydrophobicContact CD2-CD1 3.88Å; L541-L544 WeakPolarHBondContact O-CB 3.36Å; L541-L544 PolarHBondContact O-N 2.85Å; L541-L563 HydrophobicContact CD1-CD2 3.59Å; L541-C580 HydrophobicContact CD1-CB 3.7Å; L541-C580 HydrophobicContact CG-CB 4.47Å; L541-V582 HydrophobicContact CD1-CG2 4.3Å
542S83.9Confident69Low44 Ų4473.4 Ų73.431%0.30839%0.393SS..G310 helixtrans-61.8-14.8177.867.30000114.5S539S539-S542 WeakPolarHBondContact O-CB 3.39Å; S539-S542 PolarHBondContact O-N 3.07Å; S539-S542 VanDerWaalsContact O-N 3.1Å; S539-S542 PolarHBondContact O-OG 3.35Å
543Q69.8Low66.5Low73 Ų7377.2 Ų77.234%0.34141%0.409SS..G310 helixtrans-87.3-7175.9-60.1179.616.200113.6L541 Q545L541-Q543 PolarHBondContact O-N 3.29Å; Q543-Q545 PolarHBondContact O-N 3.1Å
544L66.5Low63.9Low27 Ų2783 Ų8314%0.14145%0.45CS..SBendtrans-80107.5174-63171.6000108.2F426 L541 L546 Q556 L558F426-L544 HydrophobicContact CD1-CD1 3.95Å; F426-L544 HydrophobicContact CE1-CD1 4.05Å; F426-L544 HydrophobicContact CE1-CD2 4.4Å; L541-L544 HydrophobicContact CB-CD1 4.4Å; L541-L544 HydrophobicContact CD2-CD1 3.88Å; L541-L544 WeakPolarHBondContact O-CB 3.36Å; L541-L544 PolarHBondContact O-N 2.85Å; L544-L546 PolarHBondContact O-N 3.26Å; L544-Q556 HydrophobicContact CD2-CB 4.23Å; L544-L558 HydrophobicContact CD1-CD2 3.55Å; L544-L558 HydrophobicContact CD1-CG 4.46Å
545Q52.3Low61.9Low135 Ų13581.9 Ų81.963%0.63145%0.452SS*.  trans-71.484.3173-69.1-170.9-54.100109.9Q543 K547Q543-Q545 PolarHBondContact O-N 3.1Å; Q545-K547 PolarHBondContact O-N 3.18Å
546L52.4Low60.4Low48 Ų4886.6 Ų86.625%0.25148%0.475SS..  trans-49.5129.7154.4-69.4175.3000108L525 F535 L544 E548L525-L546 HydrophobicContact CD1-CD1 4.49Å; L525-L546 HydrophobicContact CD2-CD1 4.44Å; L525-L546 HydrophobicContact CG-CD1 4.37Å; F535-L546 HydrophobicContact CE2-CD1 4.17Å; L544-L546 PolarHBondContact O-N 3.26Å; L546-E548 PolarHBondContact O-N 2.88Å
547K43.3Very low59.5Low155 Ų15588.5 Ų88.567%0.67450%0.497SS*.  trans-75.987.2-160.8-71.3-179.5178.3174.50113.2Q545 N549Q545-K547 PolarHBondContact O-N 3.18Å; K547-N549 VanDerWaalsContact C-N 3.3Å; K547-N549 PolarHBondContact O-N 2.96Å
548E36.3Very low59.4Low154 Ų15484.9 Ų84.972%0.7247%0.473SS*.  trans-77.679.5162.6-72.5-164.2148.900111.4K532 L546 N550K532-E548 IonicContact NZ-OE1 3.27Å; L546-E548 PolarHBondContact O-N 2.88Å; E548-N550 PolarHBondContact O-N 3.25Å
549N38.9Very low59.4Low167 Ų16784.9 Ų84.989%0.89347%0.474SS*.SBendtrans43.111.8155.2-90.78.1000121.9K547K547-N549 VanDerWaalsContact C-N 3.3Å; K547-N549 PolarHBondContact O-N 2.96Å
550N34.5Very low59.4Low158 Ų15885.4 Ų85.485%0.84548%0.477SS*.  trans-114.1147.3170.2-83.6-64.5000111.9E548E548-N550 PolarHBondContact O-N 3.25Å
551S42.9Very low59.6Low107 Ų10786.6 Ų86.675%0.74848%0.483SS*.  trans-83.9168-159.754.60000114.8
552S38.8Very low59.8Low118 Ų11887.4 Ų87.483%0.82549%0.485SS*.SBendtrans79.816.7158.5780000121
553K37.6Very low60.4Low172 Ų17285.5 Ų85.575%0.74847%0.472SS*.  trans-132.2135.6158.9-67.9-170.4-1791780113.4G555K553-G555 PolarHBondContact O-N 2.77Å
554S36Very low61.7Low126 Ų12682 Ų8288%0.88146%0.456SS*.  trans-79.378.6-178.854.70000111.3Q556S554-Q556 PolarHBondContact O-N 3.32Å
555G48.9Very low63.1Low28 Ų2881.3 Ų81.329%0.28945%0.451SS..PPolyproline II helixtrans-61131.1170.700000111.5K553 A557K553-G555 PolarHBondContact O-N 2.77Å; G555-A557 PolarHBondContact O-N 2.68Å
556Q58.6Low65.1Low122 Ų12276.7 Ų76.757%0.5743%0.431SS*.PPolyproline II helixtrans-74119.9175.4-174173.122.800109.3F426 L544 S554F426-Q556 HydrophobicContact CZ-CG 4.39Å; L544-Q556 HydrophobicContact CD2-CB 4.23Å; S554-Q556 PolarHBondContact O-N 3.32Å
557A70.7Confident66.9Low79 Ų7976.4 Ų76.465%0.65343%0.428SS*.PPolyproline II helixtrans-66.9155.117400000111.1G555G555-A557 PolarHBondContact O-N 2.68Å
558L84.3Confident69.2Low15 Ų1569.3 Ų69.38%0.07940%0.397CS..PPolyproline II helixtrans-71.2137.4169.2-67.7169.6000109F426 V518 F535 L544 L563 V582F426-L558 HydrophobicContact CD1-CD2 4.24Å; V518-L558 HydrophobicContact CG1-CD1 4.06Å; V518-L558 HydrophobicContact CG2-CD1 3.84Å; F535-L558 HydrophobicContact CE2-CD1 4.47Å; F535-L558 HydrophobicContact CZ-CD1 4.11Å; L544-L558 HydrophobicContact CD1-CD2 3.55Å; L544-L558 HydrophobicContact CD1-CG 4.46Å; L558-L563 HydrophobicContact CD1-CD1 4.29Å; L558-V582 HydrophobicContact CD2-CG2 3.85Å
559P86.9Confident71.8Confident40 Ų4062.7 Ų62.726%0.2637%0.368SS..SBendtrans-71.7-30.6-175.525.2-31.5000113F426 V582 A691 L693F426-P559 HydrophobicContact CD2-CG 4.14Å; F426-P559 HydrophobicContact CE2-CG 4.13Å; P559-V582 HydrophobicContact CG-CG1 4Å; P559-A691 WeakPolarHBondContact CB-O 3.45Å; P559-L693 HydrophobicContact CB-CD2 4.46Å; P559-L693 HydrophobicContact CG-CD2 3.63Å; P559-L693 HydrophobicContact CG-CG 4.22Å
560T90.2Very high74.1Confident12 Ų1257 Ų577%0.07433%0.334CS..SBendtrans-125.4166.1179.175.10000112W562 V582 V583 T584 A691 L693T560-W562 PolarHBondContact OG1-O 2.91Å; T560-V582 HydrophobicContact CG2-CG1 4.25Å; T560-V582 WeakPolarHBondContact OG1-CG1 3.41Å; T560-V583 WeakPolarHBondContact CB-O 3.42Å; T560-V583 PolarHBondContact OG1-O 2.97Å; T560-T584 HydrophobicContact CG2-CG2 3.93Å; T560-A691 HydrophobicContact CG2-CB 3.83Å; T560-L693 HydrophobicContact CG2-CD1 4.1Å
561D90.3Very high75.9Confident36 Ų3651.5 Ų51.519%0.19332%0.315CS..SBendtrans-84.2-5.9-177.9-62.4-81.9000114.4H517 V518 K520H517-D561 CarbonylContact C-O 3.58Å; H517-D561 WeakPolarHBondContact CA-O 3.36Å; V518-D561 PolarHBondContact N-O 2.75Å; K520-D561 WeakPolarHBondContact CE-OD1 3.46Å; K520-D561 WeakPolarHBondContact CE-OD2 3.19Å; K520-D561 VanDerWaalsContact CG-OD1 3.27Å; K520-D561 WeakPolarHBondContact CG-OD1 3.26Å; K520-D561 IonicContact NZ-OD1 3.27Å; K520-D561 IonicContact NZ-OD2 3.08Å; K520-D561 PolarHBondContact NZ-OD2 2.9Å
562W93.7Very high77.1Confident19 Ų1955 Ų557%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-122.7136.4-170.9-68.9102.8000113.3M515 H517 T560 V583 V588 W634 L635 F637M515-W562 HydrophobicContact CE-CE3 4.33Å; H517-W562 HydrophobicContact CB-CE3 4.14Å; H517-W562 HydrophobicContact CB-CH2 3.96Å; H517-W562 HydrophobicContact CB-CZ3 3.75Å; H517-W562 AromaticContact CD2-CE2 3.84Å; H517-W562 AromaticContact CD2-CZ2 3.73Å; T560-W562 PolarHBondContact OG1-O 2.91Å; W562-V583 HydrophobicContact CB-CG2 3.75Å; W562-V583 PolarHBondContact O-N 3.09Å; W562-V588 HydrophobicContact CB-CG2 3.8Å; W562-V588 HydrophobicContact CD2-CG2 4.27Å; W562-V588 HydrophobicContact CG-CG2 3.83Å; W562-W634 HydrophobicContact CH2-CZ3 4.19Å; W562-W634 HydrophobicContact CZ3-CH2 4.37Å; W562-W634 HydrophobicContact CZ3-CZ3 4.02Å; W562-L635 HydrophobicContact CE3-CD2 4.48Å; W562-L635 HydrophobicContact CH2-CD2 3.42Å; W562-L635 VanDerWaalsContact CH2-CD2 3.42Å; W562-L635 HydrophobicContact CZ2-CD2 4.03Å; W562-L635 HydrophobicContact CZ3-CD2 3.68Å; W562-F637 HydrophobicContact CZ2-CE1 4.25Å; W562-F637 AromaticContact NE1-CE1 3.73Å
563L95.3Very high78.6Confident4 Ų460.8 Ų60.82%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-128.1139.7176.9-71.3153.3000109.3M515 V516 V518 L525 F535 L541 L558 S581 V582M515-L563 CarbonylContact C-O 3.42Å; M515-L563 VanDerWaalsContact CA-O 3.28Å; M515-L563 WeakPolarHBondContact CA-O 3.4Å; V516-L563 HydrophobicContact CB-CB 4.1Å; V516-L563 HydrophobicContact CB-CD1 4.42Å; V516-L563 HydrophobicContact CG1-CD1 3.98Å; V516-L563 PolarHBondContact N-O 3.25Å; V516-L563 PolarHBondContact O-N 2.8Å; V518-L563 HydrophobicContact CG2-CD1 3.51Å; V518-L563 HydrophobicContact CG2-CG 4.16Å; L525-L563 HydrophobicContact CD2-CD1 3.97Å; F535-L563 HydrophobicContact CE1-CD1 3.81Å; F535-L563 HydrophobicContact CE1-CD2 4.15Å; F535-L563 HydrophobicContact CZ-CD1 3.73Å; F535-L563 HydrophobicContact CZ-CD2 4.32Å; L541-L563 HydrophobicContact CD1-CD2 3.59Å; L558-L563 HydrophobicContact CD1-CD1 4.29Å; L563-S581 WeakPolarHBondContact CA-O 3.17Å; L563-V582 HydrophobicContact CD2-CB 4.4Å; L563-V582 HydrophobicContact CD2-CG2 3.58Å
564I96.6Very high80.7Confident0 Ų057.6 Ų57.60%031%0.312CS..EExtended strand (participates in β ladder)trans-101.6153.2160.255.4176.4000110.2L507 V508 M511 M515 C580 S581 V583L507-I564 HydrophobicContact CB-CD1 3.44Å; L507-I564 VanDerWaalsContact CB-CD1 3.44Å; L507-I564 HydrophobicContact CD1-CD1 4.44Å; V508-I564 HydrophobicContact CG2-CD1 4.25Å; V508-I564 HydrophobicContact CG2-CG2 3.9Å; M511-I564 HydrophobicContact CB-CB 4.07Å; M511-I564 HydrophobicContact CB-CG2 4.3Å; M511-I564 HydrophobicContact CG-CB 4.37Å; M511-I564 HydrophobicContact CG-CD1 4.21Å; M515-I564 HydrophobicContact CE-CG2 3.77Å; M515-I564 HydrophobicContact CG-CG2 4.28Å; I564-C580 CarbonylContact O-C 3.4Å; I564-C580 WeakPolarHBondContact O-CA 3.4Å; I564-S581 PolarHBondContact N-O 3.02Å; I564-S581 PolarHBondContact O-N 3.25Å; I564-V583 HydrophobicContact CD1-CG1 4.02Å; I564-V583 HydrophobicContact CG1-CG1 3.97Å; I564-V583 HydrophobicContact CG2-CG1 4.44Å; I564-V583 HydrophobicContact CG2-CG2 4.3Å
565Y96.2Very high83.3Confident13 Ų1351.7 Ų51.75%0.05127%0.27CS..  trans-139.8156.7174.967.7-97000111.6M511 N514 M515 V516 M568 V577M511-Y565 VanDerWaalsContact SD-O 3.36Å; N514-Y565 HydrophobicContact CB-CD1 4.29Å; N514-Y565 HydrophobicContact CB-CD2 3.82Å; N514-Y565 HydrophobicContact CB-CE1 4.01Å; N514-Y565 HydrophobicContact CB-CE2 3.46Å; N514-Y565 VanDerWaalsContact CB-CE2 3.46Å; N514-Y565 HydrophobicContact CB-CG 4.21Å; N514-Y565 WeakPolarHBondContact CB-O 3.49Å; N514-Y565 PolarHBondContact O-N 2.87Å; N514-Y565 VanDerWaalsContact O-N 3.1Å; M515-Y565 VanDerWaalsContact N-CE1 3.3Å; V516-Y565 HydrophobicContact CG2-CD1 3.92Å; V516-Y565 HydrophobicContact CG2-CE1 3.96Å; Y565-M568 HydrophobicContact CD2-CB 4.33Å; Y565-M568 HydrophobicContact CE1-CE 3.91Å; Y565-M568 HydrophobicContact CE2-CB 3.65Å; Y565-V577 HydrophobicContact CD1-CB 4.21Å; Y565-V577 HydrophobicContact CD1-CG1 3.49Å; Y565-V577 VanDerWaalsContact CD1-CG1 3.49Å; Y565-V577 HydrophobicContact CD2-CB 4.38Å; Y565-V577 HydrophobicContact CD2-CG1 3.86Å; Y565-V577 HydrophobicContact CE1-CG1 3.85Å; Y565-V577 HydrophobicContact CE2-CG1 4.23Å; Y565-V577 HydrophobicContact CG-CB 3.88Å; Y565-V577 HydrophobicContact CG-CG1 3.5Å; Y565-V577 VanDerWaalsContact CG-CG1 3.5Å
566D94.3Very high85.3Confident38 Ų3851.2 Ų51.220%0.20326%0.262CS..SBendtrans-80.4-71.7175.517074.8000110.3L396 M511 N514 R578 C579L396-D566 HydrophobicContact CD2-CB 4.37Å; M511-D566 HydrophobicContact SD-CB 4.49Å; N514-D566 PolarHBondContact ND2-O 3.42Å; D566-R578 PolarHBondContact N-O 3.5Å; D566-C579 HydrophobicContact CB-CB 3.73Å
567E91Very high87Confident41 Ų4145.4 Ų45.419%0.19224%0.236CC..  trans-112.9134178.9175.4173.5-123.600112.1K244 S253 R578K244-E567 WeakPolarHBondContact CE-OE1 3.07Å; K244-E567 IonicContact NZ-OE1 3.69Å; K244-E567 PolarHBondContact NZ-OE1 2.55Å; S253-E567 WeakPolarHBondContact CB-OE1 3.21Å; S253-E567 PolarHBondContact OG-OE1 3.23Å; E567-R578 HydrophobicContact CB-CB 4.34Å; E567-R578 WeakPolarHBondContact O-CB 3.16Å; E567-R578 PolarHBondContact O-N 3.35Å; E567-R578 VanDerWaalsContact OE2-CD 3.24Å; E567-R578 WeakPolarHBondContact OE2-CD 3.38Å; E567-R578 IonicContact OE2-NE 3.06Å; E567-R578 PolarHBondContact OE2-NE 3.15Å
568M92.3Very high88Confident6 Ų645 Ų453%0.0322%0.217CC..EExtended strand (participates in β ladder)trans-93.1128.4160.4-169.6175.6-7300109.5V252 S253 E530 V533 Y565 A575 V577V252-M568 HydrophobicContact CG1-CG 4.24Å; V252-M568 HydrophobicContact CG2-CB 4.4Å; V252-M568 HydrophobicContact CG2-CG 4Å; V252-M568 HydrophobicContact CG2-SD 3.7Å; S253-M568 PolarHBondContact N-O 2.91Å; E530-M568 HydrophobicContact CB-SD 4.31Å; E530-M568 HydrophobicContact CG-SD 3.79Å; V533-M568 HydrophobicContact CG1-CE 4.08Å; V533-M568 HydrophobicContact CG2-CE 3.82Å; Y565-M568 HydrophobicContact CD2-CB 4.33Å; Y565-M568 HydrophobicContact CE1-CE 3.91Å; Y565-M568 HydrophobicContact CE2-CB 3.65Å; M568-A575 HydrophobicContact CG-CB 4.3Å; M568-A575 HydrophobicContact SD-CB 3.9Å; M568-V577 HydrophobicContact CB-CG1 4.19Å; M568-V577 HydrophobicContact CE-CG1 3.6Å; M568-V577 HydrophobicContact CG-CG1 4.04Å
569S90.3Very high88.5Confident16 Ų1644.7 Ų44.711%0.11222%0.216CC..EExtended strand (participates in β ladder)trans-128.4135.9-173.363.90000112.7S253 S576 R578S253-S569 CarbonylContact O-C 3.49Å; S253-S569 WeakPolarHBondContact O-CA 3.38Å; S569-S576 PolarHBondContact N-O 2.84Å; S569-S576 PolarHBondContact O-N 2.97Å; S569-S576 VanDerWaalsContact O-O 3.1Å; S569-S576 PolarHBondContact O-OG 2.97Å; S569-S576 PolarHBondContact OG-O 3.37Å; S569-S576 PolarHBondContact OG-OG 3.13Å; S569-R578 WeakPolarHBondContact OG-CD 3.34Å
570R86.1Confident88.9Confident47 Ų4742.8 Ų42.818%0.17720%0.204CC..EExtended strand (participates in β ladder)trans-117.5119.3177.4176.6175.6-77.6147.6-5.2110.1V252 S253 M254 L255 E530V252-R570 HydrophobicContact CG1-CB 3.58Å; S253-R570 PolarHBondContact O-N 3.28Å; M254-R570 WeakPolarHBondContact CA-O 3.04Å; M254-R570 HydrophobicContact CE-CG 4.2Å; L255-R570 PolarHBondContact N-O 3.16Å; E530-R570 IonicContact OE1-CZ 3.42Å; E530-R570 IonicContact OE1-NH1 3.79Å; E530-R570 IonicContact OE1-NH2 3.24Å; E530-R570 PolarHBondContact OE1-NH2 3.3Å; E530-R570 IonicContact OE2-NH2 2.68Å; E530-R570 PolarHBondContact OE2-NH2 3.42Å
571G72.4Confident89.2Confident42 Ų4242.2 Ų42.243%0.43320%0.201SC..SBendtrans-82.2-111.2167.100000110
572H67.8Low89.4Confident180 Ų18040.6 Ų40.683%0.83319%0.192SC*.SBendtrans-74-76.3178.8-65.6-71.2000113.9
573R71.9Confident89.5Confident241 Ų24139.7 Ų39.791%0.90919%0.188SC*.SBendtrans-124.20.3-169.3-68.6-172.8178.3-178.5-0.2115.5
574M81.5Confident89.5Confident105 Ų10539.5 Ų39.552%0.51719%0.188SC..  trans-127.8139.4-173.9-70.5179.4153.700111.1H534H534-M574 PolarHBondContact CE1-SD 3.48Å
575A89.6Confident89.3Confident1 Ų141.4 Ų41.41%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-77137.9165.700000109.8E530 H534 M568E530-A575 HydrophobicContact CB-CB 4.44Å; E530-A575 HydrophobicContact CG-CB 4.07Å; H534-A575 PolarHBondContact N-O 3.4Å; H534-A575 PolarHBondContact ND1-O 2.98Å; M568-A575 HydrophobicContact CG-CB 4.3Å; M568-A575 HydrophobicContact SD-CB 3.9Å
576S92.3Very high89.2Confident18 Ų1841.5 Ų41.513%0.12620%0.202CC..EExtended strand (participates in β ladder)trans-141.9128.6-179.665.30000112.2H534 S569H534-S576 CarbonylContact O-C 3.47Å; H534-S576 WeakPolarHBondContact O-CA 3.46Å; S569-S576 PolarHBondContact N-O 2.84Å; S569-S576 PolarHBondContact O-N 2.97Å; S569-S576 VanDerWaalsContact O-O 3.1Å; S569-S576 PolarHBondContact O-OG 2.97Å; S569-S576 PolarHBondContact OG-O 3.37Å; S569-S576 PolarHBondContact OG-OG 3.13Å
577V93.3Very high89.3Confident1 Ų139.7 Ų39.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-91.8142.5-175.8-74.20000112.3V516 V533 H534 F535 H536 Y565 M568 C580V516-V577 HydrophobicContact CG2-CG1 4.15Å; V533-V577 HydrophobicContact CG1-CB 4.34Å; V533-V577 HydrophobicContact CG1-CG1 3.69Å; V533-V577 HydrophobicContact CG1-CG2 3.88Å; H534-V577 WeakPolarHBondContact O-CG2 3.13Å; H534-V577 PolarHBondContact O-N 2.77Å; F535-V577 HydrophobicContact CD1-CG2 4.18Å; H536-V577 WeakPolarHBondContact CB-O 3.35Å; H536-V577 PolarHBondContact N-O 3.21Å; Y565-V577 HydrophobicContact CD1-CB 4.21Å; Y565-V577 HydrophobicContact CD1-CG1 3.49Å; Y565-V577 VanDerWaalsContact CD1-CG1 3.49Å; Y565-V577 HydrophobicContact CD2-CB 4.38Å; Y565-V577 HydrophobicContact CD2-CG1 3.86Å; Y565-V577 HydrophobicContact CE1-CG1 3.85Å; Y565-V577 HydrophobicContact CE2-CG1 4.23Å; Y565-V577 HydrophobicContact CG-CB 3.88Å; Y565-V577 HydrophobicContact CG-CG1 3.5Å; Y565-V577 VanDerWaalsContact CG-CG1 3.5Å; M568-V577 HydrophobicContact CB-CG1 4.19Å; M568-V577 HydrophobicContact CE-CG1 3.6Å; M568-V577 HydrophobicContact CG-CG1 4.04Å; V577-C580 VanDerWaalsContact CG2-SG 3.52Å
578R92.4Very high89.4Confident69 Ų6937.7 Ų37.726%0.2618%0.183SC..  trans-114.2154.2-177.3-59.4173.564.393.5-0.6110H536 D566 E567 S569H536-R578 HydrophobicContact CB-CG 3.73Å; H536-R578 PolarHBondContact CE1-NH1 2.84Å; H536-R578 PolarHBondContact ND1-NH1 2.7Å; H536-R578 PolarHBondContact NE2-NH1 2.92Å; D566-R578 PolarHBondContact N-O 3.5Å; E567-R578 HydrophobicContact CB-CB 4.34Å; E567-R578 WeakPolarHBondContact O-CB 3.16Å; E567-R578 PolarHBondContact O-N 3.35Å; E567-R578 VanDerWaalsContact OE2-CD 3.24Å; E567-R578 WeakPolarHBondContact OE2-CD 3.38Å; E567-R578 IonicContact OE2-NE 3.06Å; E567-R578 PolarHBondContact OE2-NE 3.15Å; S569-R578 WeakPolarHBondContact OG-CD 3.34Å
579C94.4Very high89.4Confident9 Ų937.5 Ų37.56%0.06118%0.182CC..SBendtrans42.171.2-176.6-160.70000113.5L396 D428 H429 D566L396-C579 HydrophobicContact CD2-CB 4.41Å; D428-C579 HydrophobicContact CB-CB 4.22Å; D428-C579 VanDerWaalsContact CB-SG 3.54Å; H429-C579 PolarHBondContact CD2-SG 3.11Å; H429-C579 PolarHBondContact CE1-O 3.39Å; H429-C579 PolarHBondContact NE2-SG 3.47Å; H429-C579 VanDerWaalsContact NE2-SG 3.36Å; D566-C579 HydrophobicContact CB-CB 3.73Å
580C95.4Very high89.5Confident1 Ų136.9 Ų36.91%0.00718%0.178CC..  trans-92155.8-171.5-58.90000112.1D428 F535 L541 I564 V577D428-C580 PolarHBondContact N-O 3.45Å; D428-C580 PolarHBondContact OD2-N 3.23Å; F535-C580 HydrophobicContact CD1-CB 4.32Å; F535-C580 HydrophobicContact CE1-CB 4.27Å; L541-C580 HydrophobicContact CD1-CB 3.7Å; L541-C580 HydrophobicContact CG-CB 4.47Å; I564-C580 CarbonylContact O-C 3.4Å; I564-C580 WeakPolarHBondContact O-CA 3.4Å; V577-C580 VanDerWaalsContact CG2-SG 3.52Å
581S95.8Very high89.8Confident0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-148.6133.6169-66.10000112.3S427 H429 L563 I564S427-S581 WeakPolarHBondContact CB-OG 3.45Å; S427-S581 PolarHBondContact OG-OG 3.09Å; H429-S581 PolarHBondContact ND1-OG 2.87Å; L563-S581 WeakPolarHBondContact CA-O 3.17Å; I564-S581 PolarHBondContact N-O 3.02Å; I564-S581 PolarHBondContact O-N 3.25Å
582V94.9Very high90.6Very high1 Ų133.2 Ų33.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-74.4129175.91780000110F426 K504 L541 L558 P559 T560 L563F426-V582 HydrophobicContact CB-CB 3.86Å; F426-V582 HydrophobicContact CB-CG2 3.49Å; F426-V582 VanDerWaalsContact CB-CG2 3.49Å; F426-V582 HydrophobicContact CG-CG2 4.3Å; F426-V582 PolarHBondContact O-N 3.39Å; F426-V582 VanDerWaalsContact O-N 3.13Å; K504-V582 WeakPolarHBondContact CD-O 3.47Å; K504-V582 WeakPolarHBondContact CE-O 3.44Å; K504-V582 PolarHBondContact NZ-O 3.45Å; L541-V582 HydrophobicContact CD1-CG2 4.3Å; L558-V582 HydrophobicContact CD2-CG2 3.85Å; P559-V582 HydrophobicContact CG-CG1 4Å; T560-V582 HydrophobicContact CG2-CG1 4.25Å; T560-V582 WeakPolarHBondContact OG1-CG1 3.41Å; L563-V582 HydrophobicContact CD2-CB 4.4Å; L563-V582 HydrophobicContact CD2-CG2 3.58Å
583V96.1Very high91.4Very high0 Ų024.9 Ų24.90%011%0.114CC..EExtended strand (participates in β ladder)trans-130.9154-177-63.40000110.3K504 V508 M515 T560 W562 I564 V588K504-V583 HydrophobicContact CB-CG1 4.39Å; K504-V583 HydrophobicContact CD-CG1 4.1Å; V508-V583 HydrophobicContact CG2-CB 4.11Å; V508-V583 HydrophobicContact CG2-CG1 3.74Å; V508-V583 HydrophobicContact CG2-CG2 4.24Å; M515-V583 HydrophobicContact CE-CG2 4.4Å; T560-V583 WeakPolarHBondContact CB-O 3.42Å; T560-V583 PolarHBondContact OG1-O 2.97Å; W562-V583 HydrophobicContact CB-CG2 3.75Å; W562-V583 PolarHBondContact O-N 3.09Å; I564-V583 HydrophobicContact CD1-CG1 4.02Å; I564-V583 HydrophobicContact CG1-CG1 3.97Å; I564-V583 HydrophobicContact CG2-CG1 4.44Å; I564-V583 HydrophobicContact CG2-CG2 4.3Å; V583-V588 HydrophobicContact CG2-CG2 3.77Å
584T95.1Very high91.5Very high1 Ų114 Ų141%0.0068%0.078CC..  trans-89.1156.8-176.963.30000112T560 I586 T587 V588 E687 E688 A691 L693T560-T584 HydrophobicContact CG2-CG2 3.93Å; T584-I586 VanDerWaalsContact C-N 3.34Å; T584-I586 PolarHBondContact O-N 2.95Å; T584-T587 WeakPolarHBondContact O-CB 3.24Å; T584-T587 PolarHBondContact O-N 3.27Å; T584-T587 VanDerWaalsContact O-N 3.09Å; T584-T587 PolarHBondContact OG1-OG1 3.33Å; T584-V588 WeakPolarHBondContact O-CG2 3.33Å; T584-V588 PolarHBondContact O-N 3.34Å; T584-V588 VanDerWaalsContact O-N 3.12Å; T584-E687 VanDerWaalsContact CB-OE1 3.25Å; T584-E687 WeakPolarHBondContact CB-OE1 3.46Å; T584-E687 HydrophobicContact CG2-CG 3.82Å; T584-E687 WeakPolarHBondContact OG1-CG 3.35Å; T584-E688 HydrophobicContact CG2-CG 3.94Å; T584-A691 HydrophobicContact CG2-CB 4Å; T584-L693 HydrophobicContact CG2-CD1 3.74Å
585S92.7Very high90.7Very high39 Ų3910.1 Ų10.127%0.2736%0.059SC..Hα-helixtrans-60.8-41.9-174.2-64.20000112.1T587 V588 A589 E687S585-T587 VanDerWaalsContact C-N 3.31Å; S585-T587 PolarHBondContact O-N 3.35Å; S585-V588 PolarHBondContact O-N 2.83Å; S585-A589 WeakPolarHBondContact O-CB 3.5Å; S585-A589 PolarHBondContact O-N 3.22Å; S585-E687 PolarHBondContact N-OE1 3.2Å
586I93.6Very high89.3Confident15 Ų1514.1 Ų14.18%0.0778%0.077CC..Hα-helixtrans-65.2-35.3176.6-59.4-65.2000111.4T584 V588 A589 M590 L639 V647 V683 E687T584-I586 VanDerWaalsContact C-N 3.34Å; T584-I586 PolarHBondContact O-N 2.95Å; I586-V588 VanDerWaalsContact C-N 3.33Å; I586-V588 PolarHBondContact O-N 3.34Å; I586-A589 PolarHBondContact O-N 2.82Å; I586-M590 HydrophobicContact CG2-CE 3.67Å; I586-M590 HydrophobicContact CG2-CG 4.37Å; I586-M590 HydrophobicContact CG2-SD 4.06Å; I586-M590 WeakPolarHBondContact O-CB 3.37Å; I586-M590 WeakPolarHBondContact O-CG 3.41Å; I586-M590 PolarHBondContact O-N 3.46Å; I586-L639 HydrophobicContact CD1-CD1 4.48Å; I586-L639 HydrophobicContact CD1-CD2 4.35Å; I586-V647 HydrophobicContact CD1-CG2 3.71Å; I586-V683 HydrophobicContact CG2-CG1 3.99Å; I586-E687 HydrophobicContact CB-CG 3.98Å; I586-E687 WeakPolarHBondContact CB-OE1 3.23Å; I586-E687 HydrophobicContact CG1-CG 4.25Å; I586-E687 VanDerWaalsContact CG1-OE1 3.26Å; I586-E687 WeakPolarHBondContact CG1-OE1 3.42Å; I586-E687 WeakPolarHBondContact CG1-OE2 3.3Å; I586-E687 PolarHBondContact N-OE1 3.39Å
587T95.5Very high87.3Confident0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-62.4-40.9173.8-52.40000111.2A505 V508 T584 S585 F591 L684A505-T587 HydrophobicContact CB-CG2 4.1Å; V508-T587 HydrophobicContact CB-CG2 4.42Å; V508-T587 HydrophobicContact CG2-CG2 3.89Å; T584-T587 WeakPolarHBondContact O-CB 3.24Å; T584-T587 PolarHBondContact O-N 3.27Å; T584-T587 VanDerWaalsContact O-N 3.09Å; T584-T587 PolarHBondContact OG1-OG1 3.33Å; S585-T587 VanDerWaalsContact C-N 3.31Å; S585-T587 PolarHBondContact O-N 3.35Å; T587-F591 HydrophobicContact CG2-CD2 4.24Å; T587-F591 WeakPolarHBondContact O-CB 3.36Å; T587-F591 WeakPolarHBondContact O-CD2 3.45Å; T587-F591 PolarHBondContact O-N 3.13Å; T587-L684 HydrophobicContact CG2-CD2 4.17Å; T587-L684 WeakPolarHBondContact OG1-CD2 3.49Å
588V94.3Very high84.8Confident0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-67.1-46.1175.6-170.90000111.1M515 W562 V583 T584 S585 I586 M590 F591 G592 L635 F637M515-V588 HydrophobicContact CE-CB 4.1Å; M515-V588 HydrophobicContact CE-CG1 3.44Å; M515-V588 VanDerWaalsContact CE-CG1 3.44Å; M515-V588 HydrophobicContact CE-CG2 3.49Å; M515-V588 VanDerWaalsContact CE-CG2 3.49Å; M515-V588 HydrophobicContact SD-CG1 3.77Å; W562-V588 HydrophobicContact CB-CG2 3.8Å; W562-V588 HydrophobicContact CD2-CG2 4.27Å; W562-V588 HydrophobicContact CG-CG2 3.83Å; V583-V588 HydrophobicContact CG2-CG2 3.77Å; T584-V588 WeakPolarHBondContact O-CG2 3.33Å; T584-V588 PolarHBondContact O-N 3.34Å; T584-V588 VanDerWaalsContact O-N 3.12Å; S585-V588 PolarHBondContact O-N 2.83Å; I586-V588 VanDerWaalsContact C-N 3.33Å; I586-V588 PolarHBondContact O-N 3.34Å; V588-M590 PolarHBondContact O-N 3.45Å; V588-F591 PolarHBondContact O-N 3.48Å; V588-G592 PolarHBondContact O-N 3.03Å; V588-L635 HydrophobicContact CG1-CD1 3.9Å; V588-L635 HydrophobicContact CG1-CD2 3.91Å; V588-F637 HydrophobicContact CB-CE1 4.19Å; V588-F637 HydrophobicContact CB-CZ 3.87Å; V588-F637 HydrophobicContact CG1-CE1 4.48Å; V588-F637 HydrophobicContact CG1-CZ 3.76Å
589A92.1Very high82.3Confident2 Ų226.5 Ų26.52%0.01715%0.153CC..Hα-helixtrans-62.2-28.1-18000000113.3S585 I586 I631 F637 V647 R651S585-A589 WeakPolarHBondContact O-CB 3.5Å; S585-A589 PolarHBondContact O-N 3.22Å; I586-A589 PolarHBondContact O-N 2.82Å; A589-I631 HydrophobicContact CB-CD1 4.5Å; A589-I631 VanDerWaalsContact O-CD1 3.29Å; A589-I631 WeakPolarHBondContact O-CD1 3.19Å; A589-F637 HydrophobicContact CB-CD2 4.08Å; A589-F637 HydrophobicContact CB-CE1 4.46Å; A589-F637 HydrophobicContact CB-CE2 3.98Å; A589-F637 HydrophobicContact CB-CG 4.38Å; A589-F637 HydrophobicContact CB-CZ 4.19Å; A589-V647 HydrophobicContact CB-CG1 4.01Å; A589-R651 WeakPolarHBondContact O-CD 3.21Å; A589-R651 PolarHBondContact O-NH1 3.1Å
590M91.9Very high79.7Confident3 Ų328.7 Ų28.72%0.01517%0.168CC..Hα-helixtrans-85.9-40.3175.5-72.1-178.9176.800114.3I586 V588 L650 R651 L680 V683 L684I586-M590 HydrophobicContact CG2-CE 3.67Å; I586-M590 HydrophobicContact CG2-CG 4.37Å; I586-M590 HydrophobicContact CG2-SD 4.06Å; I586-M590 WeakPolarHBondContact O-CB 3.37Å; I586-M590 WeakPolarHBondContact O-CG 3.41Å; I586-M590 PolarHBondContact O-N 3.46Å; V588-M590 PolarHBondContact O-N 3.45Å; M590-L650 HydrophobicContact CE-CB 4.31Å; M590-L650 HydrophobicContact CE-CD2 3.56Å; M590-L650 HydrophobicContact CE-CG 3.95Å; M590-R651 PolarHBondContact O-NH1 3.19Å; M590-L680 HydrophobicContact CE-CD2 4.35Å; M590-L680 HydrophobicContact SD-CD2 3.57Å; M590-L680 VanDerWaalsContact SD-CD2 3.57Å; M590-V683 HydrophobicContact CE-CG1 3.87Å; M590-L684 HydrophobicContact SD-CD2 4.37Å
591F93.8Very high77.3Confident10 Ų1032.1 Ų32.14%0.04419%0.189CC..Hα-helixtrans-113.3-11.7-165.5-65.9-86.5000115.4L383 A505 V508 A509 T587 V588 W654 L680 L684L383-F591 HydrophobicContact CD1-CE1 3.89Å; L383-F591 HydrophobicContact CD1-CZ 4.43Å; L383-F591 HydrophobicContact CD2-CE1 3.96Å; L383-F591 HydrophobicContact CD2-CZ 3.97Å; L383-F591 HydrophobicContact CG-CE1 4.39Å; A505-F591 HydrophobicContact CB-CD1 4.16Å; A505-F591 HydrophobicContact CB-CD2 3.63Å; A505-F591 HydrophobicContact CB-CE1 4.02Å; A505-F591 HydrophobicContact CB-CE2 3.51Å; A505-F591 HydrophobicContact CB-CG 3.99Å; A505-F591 HydrophobicContact CB-CZ 3.72Å; V508-F591 HydrophobicContact CB-CB 4.05Å; V508-F591 HydrophobicContact CG1-CB 3.76Å; A509-F591 HydrophobicContact CB-CB 4.26Å; A509-F591 HydrophobicContact CB-CD1 4.28Å; T587-F591 HydrophobicContact CG2-CD2 4.24Å; T587-F591 WeakPolarHBondContact O-CB 3.36Å; T587-F591 WeakPolarHBondContact O-CD2 3.45Å; T587-F591 PolarHBondContact O-N 3.13Å; V588-F591 PolarHBondContact O-N 3.48Å; F591-W654 AromaticContact CD1-CE2 3.81Å; F591-W654 HydrophobicContact CD1-CZ2 4.06Å; F591-W654 AromaticContact CD1-NE1 3.58Å; F591-W654 AromaticContact CE1-CD2 3.73Å; F591-W654 HydrophobicContact CE1-CD2 3.73Å; F591-W654 AromaticContact CE1-CE2 3.38Å; F591-W654 HydrophobicContact CE1-CE3 4.25Å; F591-W654 HydrophobicContact CE1-CG 4.18Å; F591-W654 HydrophobicContact CE1-CH2 4.2Å; F591-W654 AromaticContact CE1-CZ2 3.67Å; F591-W654 HydrophobicContact CE1-CZ2 3.67Å; F591-W654 HydrophobicContact CE1-CZ3 4.44Å; F591-W654 AromaticContact CE1-NE1 3.55Å; F591-W654 HydrophobicContact CZ-CD2 4.33Å; F591-L680 HydrophobicContact CE2-CD2 4.42Å; F591-L680 HydrophobicContact CZ-CD1 4.48Å; F591-L680 HydrophobicContact CZ-CD2 4.15Å; F591-L684 HydrophobicContact CE2-CD1 3.97Å; F591-L684 HydrophobicContact CE2-CD2 4.21Å; F591-L684 HydrophobicContact CZ-CD1 4.32Å
592G89.2Confident75Confident1 Ų136 Ų361%0.0121%0.209CC..SBendtrans-80.2163.5168.900000112.8V588 R651V588-G592 PolarHBondContact O-N 3.03Å; G592-R651 VanDerWaalsContact O-CZ 3.26Å; G592-R651 PolarHBondContact O-NH1 3.4Å; G592-R651 PolarHBondContact O-NH2 3.42Å
593G84.5Confident72.7Confident6 Ų640.8 Ų40.86%0.06223%0.231CC..SBendtrans82.6174.3178.700000115Y512 D632Y512-G593 VanDerWaalsContact CD1-N 3.33Å; Y512-G593 VanDerWaalsContact CE1-N 3.25Å; Y512-G593 VanDerWaalsContact CE2-N 3.33Å; Y512-G593 VanDerWaalsContact CZ-N 3.29Å; G593-D632 WeakPolarHBondContact CA-OD1 3.39Å
594G72.8Confident70.1Confident13 Ų1346.8 Ų46.813%0.13426%0.259CS..  trans-69.1163.8173.600000113.8K596 D632 R651 Q655G594-K596 VanDerWaalsContact C-N 3.35Å; G594-D632 PolarHBondContact N-OD1 3.03Å; G594-R651 PolarHBondContact O-NH2 2.87Å; G594-Q655 PolarHBondContact O-NE2 2.91Å
595T65.4Low67.3Low22 Ų2249.6 Ų49.614%0.13528%0.279CS..SBendtrans-85.6-6.2173.2560000113.6D349 F658D349-T595 PolarHBondContact OD1-OG1 3.45Å; D349-T595 WeakPolarHBondContact OD2-CB 3.25Å; D349-T595 WeakPolarHBondContact OD2-CG2 3.46Å; D349-T595 PolarHBondContact OD2-N 2.8Å; D349-T595 PolarHBondContact OD2-OG1 2.77Å; T595-F658 HydrophobicContact CG2-CD1 4.21Å
596K60.2Low64.6Low85 Ų8552.3 Ų52.337%0.3730%0.304SS..SBendtrans-69.7133.1176.8-62.8172.5-165.6171.30110.4D349 G594 L598D349-K596 WeakPolarHBondContact OD1-CE 3.49Å; G594-K596 VanDerWaalsContact C-N 3.35Å; K596-L598 VanDerWaalsContact C-N 3.35Å; K596-L598 PolarHBondContact O-N 2.86Å
597L49.3Very low61.9Low107 Ų10757.3 Ų57.356%0.5633%0.33SS*.  trans-68.894.6161.5-86.768.9000108.5Q652L597-Q652 HydrophobicContact CD1-CG 4.5Å
598L41.7Very low59Low146 Ų14665.8 Ų65.876%0.76437%0.369SS*.  -76.7145.3126.3-78.491.7000106.9K596 S600K596-L598 VanDerWaalsContact C-N 3.35Å; K596-L598 PolarHBondContact O-N 2.86Å; L598-S600 PolarHBondContact O-N 3.43Å
599S39.7Very low56.2Low96 Ų9674.2 Ų74.267%0.67141%0.406SS*.  trans-54.7126.6163.9470000108.4T601S599-T601 PolarHBondContact O-N 2.85Å; S599-T601 PolarHBondContact O-OG1 3.19Å; S599-T601 PolarHBondContact OG-OG1 2.98Å
600S40.5Very low53.3Low54 Ų5485.8 Ų85.838%0.37845%0.449SS..  trans-65.686.2163.550.20000107.2L598 L602L598-S600 PolarHBondContact O-N 3.43Å; S600-L602 PolarHBondContact O-N 3.43Å
601T43.3Very low50.5Low73 Ų7392.8 Ų92.845%0.44849%0.486SS..  trans-67.297.1-175.6-50.80000108S599 H603S599-T601 PolarHBondContact O-N 2.85Å; S599-T601 PolarHBondContact O-OG1 3.19Å; S599-T601 PolarHBondContact OG-OG1 2.98Å; T601-H603 WeakPolarHBondContact CG2-NE2 3.4Å; T601-H603 PolarHBondContact O-CD2 3.22Å; T601-H603 VanDerWaalsContact O-CD2 3.28Å; T601-H603 PolarHBondContact O-N 3.16Å
602L49.2Very low47.8Very low81 Ų81100.6 Ų100.642%0.42452%0.523SS..  trans-6488.1173-65.5176000107.7S600 E604 V627 I629 A644S600-L602 PolarHBondContact O-N 3.43Å; L602-E604 PolarHBondContact O-N 2.9Å; L602-V627 HydrophobicContact CB-CG1 3.92Å; L602-V627 HydrophobicContact CD2-CG1 3.84Å; L602-V627 HydrophobicContact CG-CG1 4.44Å; L602-I629 HydrophobicContact CD2-CG1 4.4Å; L602-A644 HydrophobicContact CD2-CB 4.25Å
603H46.6Very low45.1Very low102 Ų102107.8 Ų107.847%0.47256%0.562SS.*EExtended strand (participates in β ladder)trans-77.9113.1173.1-77.9-76.9000107.9T601T601-H603 WeakPolarHBondContact CG2-NE2 3.4Å; T601-H603 PolarHBondContact O-CD2 3.22Å; T601-H603 VanDerWaalsContact O-CD2 3.28Å; T601-H603 PolarHBondContact O-N 3.16Å
604E40.1Very low43.1Very low126 Ų126113.7 Ų113.759%0.58960%0.598SS**EExtended strand (participates in β ladder)trans-56.9138.3164.3-62.9-170125.700109L602 A606 R641L602-E604 PolarHBondContact O-N 2.9Å; E604-A606 PolarHBondContact O-N 3.38Å; E604-R641 IonicContact OE1-CZ 2.8Å; E604-R641 VanDerWaalsContact OE1-CZ 3.3Å; E604-R641 IonicContact OE1-NH1 2.81Å; E604-R641 PolarHBondContact OE1-NH1 3.02Å; E604-R641 IonicContact OE1-NH2 3.6Å; E604-R641 PolarHBondContact OE1-NH2 3.23Å
605S38Very low41.8Very low61 Ų61120.3 Ų120.343%0.42763%0.63SS.*  trans-68.299.2-175.757.60000110.2I607S605-I607 PolarHBondContact O-N 2.94Å
606A34.4Very low40.5Very low95 Ų95126.6 Ų126.679%0.78566%0.663SS**  trans-7079.5173.400000110.1E604 Q608E604-A606 PolarHBondContact O-N 3.38Å; A606-Q608 PolarHBondContact O-N 3.17Å
607I38.2Very low39.3Very low121 Ų121129.7 Ų129.762%0.62168%0.684SS**  trans-71.173.6174.5-52178.2000108.9S605 K609S605-I607 PolarHBondContact O-N 2.94Å; I607-K609 HydrophobicContact CG2-CG 4.18Å; I607-K609 PolarHBondContact O-N 3.03Å
608Q34.1Very low39.2Very low178 Ų178133.5 Ų133.583%0.83270%0.701SS**  trans-67.985.5158.1-77.9-169.8-16.800108.1A606 R610A606-Q608 PolarHBondContact O-N 3.17Å; Q608-R610 PolarHBondContact O-N 2.8Å
609K35.2Very low39.1Very low176 Ų176131 Ų13177%0.76570%0.695SS**  trans-51.8107.8156-79.1-174.5176.9179.60106.6I607 N611I607-K609 HydrophobicContact CG2-CG 4.18Å; I607-K609 PolarHBondContact O-N 3.03Å; K609-N611 PolarHBondContact O-N 3.42Å
610R31.1Very low39.4Very low246 Ų246135 Ų13593%0.92871%0.709SS**  trans-73.398.6174.7-154-179.3-162.4-167.74.3106.3Q608 E612Q608-R610 PolarHBondContact O-N 2.8Å; R610-E612 PolarHBondContact O-N 3.35Å
611N32.8Very low39.5Very low149 Ų149136.3 Ų136.380%0.79772%0.719SS**  trans-59.3107.7-172.9-82.3-8.3000111.9K609K609-N611 PolarHBondContact O-N 3.42Å
612E37.3Very low39.5Very low175 Ų175140.6 Ų140.682%0.81874%0.739SS**  trans-127.9139.1148.1-68.5-172.2168.800107.2R610R610-E612 PolarHBondContact O-N 3.35Å
613N33.4Very low39.7Very low152 Ų152142.6 Ų142.681%0.81376%0.755SS**  trans6597.3-177.1-53-28.9000116.8
614P42.9Very low40.2Very low129 Ų129144.7 Ų144.784%0.83876%0.764SS**  trans-89.8100.1160.233.5-27.1000110.6
615L44.8Very low41.7Very low152 Ų152143 Ų14380%0.79676%0.759SS**  trans-178.5153.2158.7-99.8158.3000107.4
616D37.3Very low43.6Very low154 Ų154143.3 Ų143.382%0.82476%0.756SS**  trans63.6135.3-177.9-48.3-18.3000114.9
617D36.4Very low46.1Very low151 Ų151139 Ų13981%0.80772%0.72SS**  cis-151168.4-17-1655.1000108.7S619D617-S619 PolarHBondContact O-N 3.27Å
618M46.5Very low48.3Very low187 Ų187136.7 Ų136.792%0.92171%0.707SS**  trans-73.2104.3176.8-74-69.5-164.800111.4
619S39.6Very low50.7Low93 Ų93128.5 Ų128.565%0.6567%0.669SS**  trans-133.1103.6172.7178.30000110.1D617 S621D617-S619 PolarHBondContact O-N 3.27Å; S619-S621 PolarHBondContact O-N 3.17Å
620D45.8Very low53Low179 Ų179124.1 Ų124.196%0.95765%0.649SS**  trans-59119.8161.6-77.1-43.6000108.4
621S42.7Very low55.6Low83 Ų83112.8 Ų112.858%0.5861%0.607SS**  trans-152.6120.9172.458.80000108S619 T623S619-S621 PolarHBondContact O-N 3.17Å; S621-T623 PolarHBondContact O-N 3.28Å
622D44Very low57.7Low162 Ų162109 Ų10987%0.86659%0.587SS**  trans-60.9103.7-178.9-55.4-83.6000110.3E624D622-E624 VanDerWaalsContact C-N 3.29Å; D622-E624 PolarHBondContact O-N 2.61Å
623T51.9Low59.6Low124 Ų124107.9 Ų107.976%0.76159%0.587SS**  trans-70.293.9164.840.70000107.9S621 D625S621-T623 PolarHBondContact O-N 3.28Å; T623-D625 PolarHBondContact O-N 3.11Å
624E58.1Low62Low145 Ų145104.2 Ų104.268%0.67856%0.561SS**  trans-43.9132.6175.1-63.7177.8168.500110.9D622 L626D622-E624 VanDerWaalsContact C-N 3.29Å; D622-E624 PolarHBondContact O-N 2.61Å; E624-L626 HydrophobicContact CB-CD1 4.11Å; E624-L626 HydrophobicContact CB-CD2 4.23Å; E624-L626 HydrophobicContact CB-CG 3.79Å; E624-L626 PolarHBondContact O-N 3.13Å
625D70.4Confident64.1Low90 Ų9098.1 Ų98.148%0.48152%0.522SS..  trans-79.962.9-173.4-16625.5000110.9T623 R641T623-D625 PolarHBondContact O-N 3.11Å; D625-R641 PolarHBondContact O-N 3Å; D625-R641 IonicContact OD1-CZ 3.3Å; D625-R641 IonicContact OD1-NE 2.72Å; D625-R641 IonicContact OD1-NH2 2.94Å; D625-R641 PolarHBondContact OD1-NH2 2.84Å; D625-R641 IonicContact OD2-CZ 3.61Å; D625-R641 VanDerWaalsContact OD2-CZ 3.28Å; D625-R641 IonicContact OD2-NE 3.63Å; D625-R641 PolarHBondContact OD2-NE 3.05Å; D625-R641 IonicContact OD2-NH2 2.78Å; D625-R641 PolarHBondContact OD2-NH2 3.42Å; D625-R641 VanDerWaalsContact OD2-NH2 3.17Å
626L79.8Confident66.1Low69 Ų6993.7 Ų93.736%0.36150%0.501SS..EExtended strand (participates in β ladder)trans-83.4132.8-173.2-61.4173.5000111.4E624 L639E624-L626 HydrophobicContact CB-CD1 4.11Å; E624-L626 HydrophobicContact CB-CD2 4.23Å; E624-L626 HydrophobicContact CB-CG 3.79Å; E624-L626 PolarHBondContact O-N 3.13Å; L626-L639 CarbonylContact C-O 3.55Å; L626-L639 WeakPolarHBondContact CA-O 3.45Å
627V85Confident68.5Low5 Ų587 Ų873%0.0346%0.464CS..EExtended strand (participates in β ladder)trans-117.6142-179.1-177.60000109.7L602 L639 R641 A644L602-V627 HydrophobicContact CB-CG1 3.92Å; L602-V627 HydrophobicContact CD2-CG1 3.84Å; L602-V627 HydrophobicContact CG-CG1 4.44Å; V627-L639 PolarHBondContact N-O 3.29Å; V627-L639 PolarHBondContact O-N 3.17Å; V627-R641 HydrophobicContact CG2-CB 3.94Å; V627-R641 HydrophobicContact CG2-CG 4.06Å; V627-A644 HydrophobicContact CB-CB 4.49Å
628E85.8Confident70.9Confident72 Ų7282.4 Ų82.434%0.33645%0.453SS..EExtended strand (participates in β ladder)trans-89117.5177-65-171.3136.600111.7K630 V636 F637E628-K630 WeakPolarHBondContact OE2-CE 3.18Å; E628-K630 IonicContact OE2-NZ 3.35Å; E628-K630 PolarHBondContact OE2-NZ 3.02Å; E628-V636 HydrophobicContact CB-CG1 4.17Å; E628-V636 HydrophobicContact CG-CG1 4.19Å; E628-F637 WeakPolarHBondContact CA-O 3.44Å
629I83.6Confident72.8Confident6 Ų675 Ų753%0.03142%0.417CS..EExtended strand (participates in β ladder)trans-82.3131.2159.2-62.9-173.3000108.6L602 I631 V636 F637 L639 A644 V647L602-I629 HydrophobicContact CD2-CG1 4.4Å; I629-I631 HydrophobicContact CG2-CD1 4.27Å; I629-I631 HydrophobicContact CG2-CG1 4.25Å; I629-V636 WeakPolarHBondContact O-CA 3.07Å; I629-F637 HydrophobicContact CB-CB 4.48Å; I629-F637 PolarHBondContact N-O 3.34Å; I629-F637 PolarHBondContact O-N 2.96Å; I629-L639 HydrophobicContact CD1-CD1 3.84Å; I629-L639 HydrophobicContact CG1-CD1 4.4Å; I629-A644 HydrophobicContact CD1-CB 4.12Å; I629-A644 HydrophobicContact CG1-CB 4.1Å; I629-V647 HydrophobicContact CD1-CB 4.22Å; I629-V647 HydrophobicContact CD1-CG1 4.06Å
630K84.6Confident75.2Confident83 Ų8375.9 Ų75.936%0.36141%0.411SS..EExtended strand (participates in β ladder)trans-119.8133.4175.3-63.9-178.1177.9162.30111E628 L635 V636E628-K630 WeakPolarHBondContact OE2-CE 3.18Å; E628-K630 IonicContact OE2-NZ 3.35Å; E628-K630 PolarHBondContact OE2-NZ 3.02Å; K630-L635 CarbonylContact C-O 3.59Å; K630-L635 WeakPolarHBondContact CA-O 3.39Å; K630-V636 HydrophobicContact CG-CG1 4.18Å; K630-V636 HydrophobicContact CG-CG2 4.2Å
631I84.8Confident77.1Confident9 Ų972.1 Ų72.15%0.04638%0.383CS..EExtended strand (participates in β ladder)trans-130.3128.5179-66.9161.7000108.4A589 I629 D633 W634 L635 F637A589-I631 HydrophobicContact CB-CD1 4.5Å; A589-I631 VanDerWaalsContact O-CD1 3.29Å; A589-I631 WeakPolarHBondContact O-CD1 3.19Å; I629-I631 HydrophobicContact CG2-CD1 4.27Å; I629-I631 HydrophobicContact CG2-CG1 4.25Å; I631-D633 PolarHBondContact O-N 3.23Å; I631-D633 VanDerWaalsContact O-N 3.07Å; I631-W634 PolarHBondContact O-N 2.93Å; I631-L635 HydrophobicContact CB-CB 4.03Å; I631-L635 HydrophobicContact CB-CD1 4.29Å; I631-L635 HydrophobicContact CG2-CD1 4.07Å; I631-L635 PolarHBondContact N-O 3.31Å; I631-L635 WeakPolarHBondContact O-CB 3.34Å; I631-L635 PolarHBondContact O-N 3.28Å; I631-L635 VanDerWaalsContact O-N 3.09Å; I631-F637 HydrophobicContact CD1-CE2 4.14Å
632D77.6Confident79.4Confident69 Ų6975.1 Ų75.137%0.36939%0.388SS..THydrogen-bonded Turntrans45.337.2-175.9-63.318.2000113.2Y512 G593 G594 W634Y512-D632 WeakPolarHBondContact CE1-OD2 3.28Å; Y512-D632 VanDerWaalsContact CZ-OD2 3.31Å; Y512-D632 VanDerWaalsContact OH-CB 3.25Å; Y512-D632 WeakPolarHBondContact OH-CB 3.45Å; Y512-D632 PolarHBondContact OH-OD2 3.12Å; G593-D632 WeakPolarHBondContact CA-OD1 3.39Å; G594-D632 PolarHBondContact N-OD1 3.03Å; D632-W634 PolarHBondContact O-N 3.25Å
633D76.3Confident81.6Confident152 Ų15269.9 Ų69.981%0.81336%0.362SS*.THydrogen-bonded Turntrans60.2-20.7-178-53.8-39.7000117.9I631I631-D633 PolarHBondContact O-N 3.23Å; I631-D633 VanDerWaalsContact O-N 3.07Å
634W84.6Confident83.3Confident75 Ų7564 Ų6428%0.28433%0.326SS..THydrogen-bonded Turntrans-108.1-22-173.777.8-91.5000114.9Y512 P513 M515 N528 W562 I631 D632Y512-W634 AromaticContact CE2-CZ2 3.86Å; Y512-W634 HydrophobicContact CE2-CZ2 3.86Å; Y512-W634 PolarHBondContact OH-NE1 2.3Å; P513-W634 HydrophobicContact CB-CZ2 4.49Å; M515-W634 HydrophobicContact CB-CH2 4Å; M515-W634 HydrophobicContact CG-CH2 4.41Å; M515-W634 HydrophobicContact SD-CH2 4.43Å; N528-W634 HydrophobicContact CB-CD2 3.71Å; N528-W634 HydrophobicContact CB-CE3 3.76Å; N528-W634 HydrophobicContact CB-CG 4.13Å; N528-W634 HydrophobicContact CB-CZ3 4.2Å; W562-W634 HydrophobicContact CH2-CZ3 4.19Å; W562-W634 HydrophobicContact CZ3-CH2 4.37Å; W562-W634 HydrophobicContact CZ3-CZ3 4.02Å; I631-W634 PolarHBondContact O-N 2.93Å; D632-W634 PolarHBondContact O-N 3.25Å
635L86.9Confident84.8Confident0 Ų059.4 Ų59.40%031%0.313CS..EExtended strand (participates in β ladder)trans-87.1116.8170.2-74.4173.1000108.8Y512 W562 V588 K630 I631 F637Y512-L635 HydrophobicContact CE2-CD1 3.82Å; W562-L635 HydrophobicContact CE3-CD2 4.48Å; W562-L635 HydrophobicContact CH2-CD2 3.42Å; W562-L635 VanDerWaalsContact CH2-CD2 3.42Å; W562-L635 HydrophobicContact CZ2-CD2 4.03Å; W562-L635 HydrophobicContact CZ3-CD2 3.68Å; V588-L635 HydrophobicContact CG1-CD1 3.9Å; V588-L635 HydrophobicContact CG1-CD2 3.91Å; K630-L635 CarbonylContact C-O 3.59Å; K630-L635 WeakPolarHBondContact CA-O 3.39Å; I631-L635 HydrophobicContact CB-CB 4.03Å; I631-L635 HydrophobicContact CB-CD1 4.29Å; I631-L635 HydrophobicContact CG2-CD1 4.07Å; I631-L635 PolarHBondContact N-O 3.31Å; I631-L635 WeakPolarHBondContact O-CB 3.34Å; I631-L635 PolarHBondContact O-N 3.28Å; I631-L635 VanDerWaalsContact O-N 3.09Å; L635-F637 HydrophobicContact CB-CE2 3.88Å; L635-F637 HydrophobicContact CB-CZ 4.29Å; L635-F637 HydrophobicContact CD2-CZ 4.22Å
636V87.3Confident85.9Confident60 Ų6060.4 Ų60.436%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-123.9131178.7-169.70000109.7E628 I629 K630E628-V636 HydrophobicContact CB-CG1 4.17Å; E628-V636 HydrophobicContact CG-CG1 4.19Å; I629-V636 WeakPolarHBondContact O-CA 3.07Å; K630-V636 HydrophobicContact CG-CG1 4.18Å; K630-V636 HydrophobicContact CG-CG2 4.2Å
637F87.3Confident86.4Confident12 Ų1257.6 Ų57.65%0.05330%0.303CS..EExtended strand (participates in β ladder)trans-127.8116.8177.2-53-88.1000109.5W562 V588 A589 E628 I629 I631 L635 L639W562-F637 HydrophobicContact CZ2-CE1 4.25Å; W562-F637 AromaticContact NE1-CE1 3.73Å; V588-F637 HydrophobicContact CB-CE1 4.19Å; V588-F637 HydrophobicContact CB-CZ 3.87Å; V588-F637 HydrophobicContact CG1-CE1 4.48Å; V588-F637 HydrophobicContact CG1-CZ 3.76Å; A589-F637 HydrophobicContact CB-CD2 4.08Å; A589-F637 HydrophobicContact CB-CE1 4.46Å; A589-F637 HydrophobicContact CB-CE2 3.98Å; A589-F637 HydrophobicContact CB-CG 4.38Å; A589-F637 HydrophobicContact CB-CZ 4.19Å; E628-F637 WeakPolarHBondContact CA-O 3.44Å; I629-F637 HydrophobicContact CB-CB 4.48Å; I629-F637 PolarHBondContact N-O 3.34Å; I629-F637 PolarHBondContact O-N 2.96Å; I631-F637 HydrophobicContact CD1-CE2 4.14Å; L635-F637 HydrophobicContact CB-CE2 3.88Å; L635-F637 HydrophobicContact CB-CZ 4.29Å; L635-F637 HydrophobicContact CD2-CZ 4.22Å; F637-L639 HydrophobicContact CB-CD1 4.44Å; F637-L639 HydrophobicContact CB-CG 4.38Å
638G85.6Confident86.7Confident56 Ų5658.2 Ų58.258%0.57731%0.308SS*.EExtended strand (participates in β ladder)trans-78.4123.516500000109.3
639L87.3Confident87Confident32 Ų3259.2 Ų59.217%0.16831%0.313CS..EExtended strand (participates in β ladder)trans-141153.3179.9-67.1172.2000109.1I586 L626 V627 I629 F637 T643 A644 V647I586-L639 HydrophobicContact CD1-CD1 4.48Å; I586-L639 HydrophobicContact CD1-CD2 4.35Å; L626-L639 CarbonylContact C-O 3.55Å; L626-L639 WeakPolarHBondContact CA-O 3.45Å; V627-L639 PolarHBondContact N-O 3.29Å; V627-L639 PolarHBondContact O-N 3.17Å; I629-L639 HydrophobicContact CD1-CD1 3.84Å; I629-L639 HydrophobicContact CG1-CD1 4.4Å; F637-L639 HydrophobicContact CB-CD1 4.44Å; F637-L639 HydrophobicContact CB-CG 4.38Å; L639-T643 HydrophobicContact CB-CG2 4.45Å; L639-T643 HydrophobicContact CD1-CG2 4.46Å; L639-T643 HydrophobicContact CD2-CG2 4.22Å; L639-A644 HydrophobicContact CB-CB 4.08Å; L639-V647 HydrophobicContact CD1-CG2 4.39Å
640E89.4Confident87.5Confident110 Ų11059.6 Ų59.651%0.51432%0.315SS..EExtended strand (participates in β ladder)trans-55142.1167.3177.8-172.7-138.500111.2E642 T643 A644E640-E642 VanDerWaalsContact C-N 3.29Å; E640-E642 PolarHBondContact O-N 3.3Å; E640-E642 VanDerWaalsContact O-N 3.16Å; E640-T643 PolarHBondContact O-N 3.39Å; E640-T643 VanDerWaalsContact O-N 3.11Å; E640-T643 PolarHBondContact OE2-OG1 3.35Å; E640-A644 WeakPolarHBondContact O-CB 3.5Å; E640-A644 PolarHBondContact O-N 2.93Å
641R87Confident87.9Confident100 Ų10057 Ų5738%0.37730%0.303SS..Hα-helixtrans-46.1-44.8-177.9-169.9-177.8-65.9-109.50.3114.2E604 D625 V627 A645E604-R641 IonicContact OE1-CZ 2.8Å; E604-R641 VanDerWaalsContact OE1-CZ 3.3Å; E604-R641 IonicContact OE1-NH1 2.81Å; E604-R641 PolarHBondContact OE1-NH1 3.02Å; E604-R641 IonicContact OE1-NH2 3.6Å; E604-R641 PolarHBondContact OE1-NH2 3.23Å; D625-R641 PolarHBondContact O-N 3Å; D625-R641 IonicContact OD1-CZ 3.3Å; D625-R641 IonicContact OD1-NE 2.72Å; D625-R641 IonicContact OD1-NH2 2.94Å; D625-R641 PolarHBondContact OD1-NH2 2.84Å; D625-R641 IonicContact OD2-CZ 3.61Å; D625-R641 VanDerWaalsContact OD2-CZ 3.28Å; D625-R641 IonicContact OD2-NE 3.63Å; D625-R641 PolarHBondContact OD2-NE 3.05Å; D625-R641 IonicContact OD2-NH2 2.78Å; D625-R641 PolarHBondContact OD2-NH2 3.42Å; D625-R641 VanDerWaalsContact OD2-NH2 3.17Å; V627-R641 HydrophobicContact CG2-CB 3.94Å; V627-R641 HydrophobicContact CG2-CG 4.06Å; R641-A645 PolarHBondContact O-N 3.5Å
642E89.8Confident88.2Confident146 Ų14660.7 Ų60.768%0.68232%0.32SS*.Hα-helixtrans-70.5-48.5179-61.5-160.4171.300112.3E640 A644 A645 L646E640-E642 VanDerWaalsContact C-N 3.29Å; E640-E642 PolarHBondContact O-N 3.3Å; E640-E642 VanDerWaalsContact O-N 3.16Å; E642-A644 VanDerWaalsContact C-N 3.27Å; E642-A644 PolarHBondContact O-N 3.04Å; E642-A645 WeakPolarHBondContact O-CB 3.11Å; E642-A645 PolarHBondContact O-N 3.47Å; E642-A645 VanDerWaalsContact O-N 3.14Å; E642-L646 WeakPolarHBondContact O-CG 3.46Å; E642-L646 PolarHBondContact O-N 3.36Å
643T89.8Confident89Confident53 Ų5361.1 Ų61.133%0.32532%0.318SS..Hα-helixtrans-57.5-41175.7-67.10000111.3L639 E640 A645 L646 V647L639-T643 HydrophobicContact CB-CG2 4.45Å; L639-T643 HydrophobicContact CD1-CG2 4.46Å; L639-T643 HydrophobicContact CD2-CG2 4.22Å; E640-T643 PolarHBondContact O-N 3.39Å; E640-T643 VanDerWaalsContact O-N 3.11Å; E640-T643 PolarHBondContact OE2-OG1 3.35Å; T643-A645 PolarHBondContact O-N 3.27Å; T643-L646 PolarHBondContact O-N 2.97Å; T643-V647 HydrophobicContact CG2-CG2 4.36Å; T643-V647 WeakPolarHBondContact O-CB 3.28Å; T643-V647 VanDerWaalsContact O-CG2 3.28Å; T643-V647 WeakPolarHBondContact O-CG2 3.48Å; T643-V647 PolarHBondContact O-N 2.71Å
644A88.6Confident89.9Confident0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-62.4-41.217700000112.5L602 V627 I629 L639 E640 E642 S648L602-A644 HydrophobicContact CD2-CB 4.25Å; V627-A644 HydrophobicContact CB-CB 4.49Å; I629-A644 HydrophobicContact CD1-CB 4.12Å; I629-A644 HydrophobicContact CG1-CB 4.1Å; L639-A644 HydrophobicContact CB-CB 4.08Å; E640-A644 WeakPolarHBondContact O-CB 3.5Å; E640-A644 PolarHBondContact O-N 2.93Å; E642-A644 VanDerWaalsContact C-N 3.27Å; E642-A644 PolarHBondContact O-N 3.04Å; A644-S648 WeakPolarHBondContact O-CB 3.47Å; A644-S648 PolarHBondContact O-N 2.79Å; A644-S648 VanDerWaalsContact O-N 3.08Å; A644-S648 PolarHBondContact O-OG 3.26Å
645A89.4Confident90.3Very high48 Ų4851.4 Ų51.440%0.39727%0.271SS..Hα-helixtrans-65.1-45.8175.700000112R641 E642 T643 S648 E649R641-A645 PolarHBondContact O-N 3.5Å; E642-A645 WeakPolarHBondContact O-CB 3.11Å; E642-A645 PolarHBondContact O-N 3.47Å; E642-A645 VanDerWaalsContact O-N 3.14Å; T643-A645 PolarHBondContact O-N 3.27Å; A645-S648 PolarHBondContact O-N 2.87Å; A645-E649 PolarHBondContact O-N 3.42Å
646L93.2Very high90.6Very high111 Ų11155.5 Ų55.558%0.58129%0.292SS*.Hα-helixtrans-63.3-43.4179.1-69.2171.6000112.5E642 T643 S648 E649 L650E642-L646 WeakPolarHBondContact O-CG 3.46Å; E642-L646 PolarHBondContact O-N 3.36Å; T643-L646 PolarHBondContact O-N 2.97Å; L646-S648 VanDerWaalsContact C-N 3.34Å; L646-E649 PolarHBondContact O-N 3.44Å; L646-L650 VanDerWaalsContact O-CB 3.31Å; L646-L650 WeakPolarHBondContact O-CB 3.28Å; L646-L650 PolarHBondContact O-N 3.49Å
647V91.6Very high90.9Very high10 Ų1052.9 Ų52.96%0.06128%0.276CS..Hα-helixtrans-62.5-42.6175.5171.40000111I586 A589 I629 L639 T643 L650 R651I586-V647 HydrophobicContact CD1-CG2 3.71Å; A589-V647 HydrophobicContact CB-CG1 4.01Å; I629-V647 HydrophobicContact CD1-CB 4.22Å; I629-V647 HydrophobicContact CD1-CG1 4.06Å; L639-V647 HydrophobicContact CD1-CG2 4.39Å; T643-V647 HydrophobicContact CG2-CG2 4.36Å; T643-V647 WeakPolarHBondContact O-CB 3.28Å; T643-V647 VanDerWaalsContact O-CG2 3.28Å; T643-V647 WeakPolarHBondContact O-CG2 3.48Å; T643-V647 PolarHBondContact O-N 2.71Å; V647-L650 PolarHBondContact O-N 2.48Å; V647-R651 VanDerWaalsContact O-CB 3.24Å; V647-R651 WeakPolarHBondContact O-CB 3.22Å; V647-R651 PolarHBondContact O-N 2.92Å
648S89.3Confident91.3Very high18 Ų1852.5 Ų52.513%0.12628%0.275CS..Hα-helixtrans-65.4-43.9179.1-58.50000112.1A644 A645 L646 Q652A644-S648 WeakPolarHBondContact O-CB 3.47Å; A644-S648 PolarHBondContact O-N 2.79Å; A644-S648 VanDerWaalsContact O-N 3.08Å; A644-S648 PolarHBondContact O-OG 3.26Å; A645-S648 PolarHBondContact O-N 2.87Å; L646-S648 VanDerWaalsContact C-N 3.34Å; S648-Q652 PolarHBondContact O-N 3.05Å
649E92.1Very high91.7Very high93 Ų9352.1 Ų52.144%0.43526%0.259SS..Hα-helixtrans-66.1-42.2177.7-159.7-147.8-17200111.7A645 L646 Q652 K653A645-E649 PolarHBondContact O-N 3.42Å; L646-E649 PolarHBondContact O-N 3.44Å; E649-Q652 PolarHBondContact O-N 2.93Å; E649-K653 HydrophobicContact CG-CD 4.49Å; E649-K653 WeakPolarHBondContact O-CG 3.37Å; E649-K653 PolarHBondContact O-N 3.08Å; E649-K653 WeakPolarHBondContact OE1-CE 3.38Å; E649-K653 IonicContact OE1-NZ 3.11Å; E649-K653 PolarHBondContact OE1-NZ 3.17Å; E649-K653 IonicContact OE2-NZ 2.64Å; E649-K653 PolarHBondContact OE2-NZ 3.07Å
650L94.3Very high91.9Very high15 Ų1553.9 Ų53.98%0.07927%0.265CS..Hα-helixtrans-70.8-35.8179.1-17350.6000112.3M590 L646 V647 K653 W654 V676 T679 L680 V683M590-L650 HydrophobicContact CE-CB 4.31Å; M590-L650 HydrophobicContact CE-CD2 3.56Å; M590-L650 HydrophobicContact CE-CG 3.95Å; L646-L650 VanDerWaalsContact O-CB 3.31Å; L646-L650 WeakPolarHBondContact O-CB 3.28Å; L646-L650 PolarHBondContact O-N 3.49Å; V647-L650 PolarHBondContact O-N 2.48Å; L650-K653 PolarHBondContact O-N 3.4Å; L650-W654 WeakPolarHBondContact O-CB 3.5Å; L650-W654 PolarHBondContact O-N 2.9Å; L650-V676 HydrophobicContact CD1-CG1 4.47Å; L650-T679 HydrophobicContact CD1-CG2 4.23Å; L650-T679 HydrophobicContact CD2-CG2 3.71Å; L650-L680 HydrophobicContact CD1-CD2 4.08Å; L650-L680 HydrophobicContact CD1-CG 4.11Å; L650-L680 HydrophobicContact CD2-CD2 4.16Å; L650-L680 HydrophobicContact CG-CD2 3.83Å; L650-L680 HydrophobicContact CG-CG 4.39Å; L650-V683 HydrophobicContact CD2-CG2 4.18Å
651R92.9Very high92.1Very high29 Ų2949.1 Ų49.111%0.10924%0.243CC..Hα-helixtrans-58.3-47.1168.5179-172.817580.88.3111.2A589 M590 G592 G594 V647 W654 Q655A589-R651 WeakPolarHBondContact O-CD 3.21Å; A589-R651 PolarHBondContact O-NH1 3.1Å; M590-R651 PolarHBondContact O-NH1 3.19Å; G592-R651 VanDerWaalsContact O-CZ 3.26Å; G592-R651 PolarHBondContact O-NH1 3.4Å; G592-R651 PolarHBondContact O-NH2 3.42Å; G594-R651 PolarHBondContact O-NH2 2.87Å; V647-R651 VanDerWaalsContact O-CB 3.24Å; V647-R651 WeakPolarHBondContact O-CB 3.22Å; V647-R651 PolarHBondContact O-N 2.92Å; R651-W654 WeakPolarHBondContact O-CB 3.42Å; R651-W654 PolarHBondContact O-N 3.45Å; R651-Q655 WeakPolarHBondContact O-CG 3.49Å; R651-Q655 PolarHBondContact O-N 3.41Å
652Q91.9Very high92.5Very high85 Ų8544.6 Ų44.640%0.39723%0.226SC..Hα-helixtrans-64.1-42.5178.5-168.5-168.575.300111.8L597 S648 E649 W654 Q655 N656L597-Q652 HydrophobicContact CD1-CG 4.5Å; S648-Q652 PolarHBondContact O-N 3.05Å; E649-Q652 PolarHBondContact O-N 2.93Å; Q652-W654 PolarHBondContact O-N 3.31Å; Q652-Q655 PolarHBondContact O-N 3.04Å; Q652-N656 WeakPolarHBondContact O-CB 3.43Å; Q652-N656 PolarHBondContact O-N 3.03Å; Q652-N656 PolarHBondContact O-ND2 2.94Å
653K94.8Very high92.7Very high78 Ų7845 Ų4534%0.33922%0.221SC..Hα-helixtrans-60.2-42.7174.1-74.9168.6-179.6170.50112E649 L650 L657 V676E649-K653 HydrophobicContact CG-CD 4.49Å; E649-K653 WeakPolarHBondContact O-CG 3.37Å; E649-K653 PolarHBondContact O-N 3.08Å; E649-K653 WeakPolarHBondContact OE1-CE 3.38Å; E649-K653 IonicContact OE1-NZ 3.11Å; E649-K653 PolarHBondContact OE1-NZ 3.17Å; E649-K653 IonicContact OE2-NZ 2.64Å; E649-K653 PolarHBondContact OE2-NZ 3.07Å; L650-K653 PolarHBondContact O-N 3.4Å; K653-L657 WeakPolarHBondContact O-CB 3.35Å; K653-L657 PolarHBondContact O-N 2.92Å; K653-V676 HydrophobicContact CB-CG1 4.11Å; K653-V676 HydrophobicContact CB-CG2 3.9Å; K653-V676 HydrophobicContact CD-CG2 4.4Å; K653-V676 HydrophobicContact CG-CG2 4.41Å
654W94.8Very high92.8Very high11 Ų1145.1 Ų45.14%0.04222%0.224CC..Hα-helixtrans-60.8-52.3173.4163.8-113.4000112.3C379 V382 L383 F591 L650 R651 Q652 N656 L657 F658 I677 L680C379-W654 HydrophobicContact CB-CZ2 4.48Å; V382-W654 HydrophobicContact CB-CH2 4.05Å; V382-W654 HydrophobicContact CB-CZ3 4.17Å; V382-W654 HydrophobicContact CG1-CH2 4.03Å; V382-W654 HydrophobicContact CG1-CZ3 3.68Å; L383-W654 HydrophobicContact CD1-CH2 4.23Å; L383-W654 HydrophobicContact CD2-CE3 4.23Å; L383-W654 HydrophobicContact CD2-CH2 4Å; L383-W654 HydrophobicContact CD2-CZ3 3.65Å; L383-W654 HydrophobicContact CG-CH2 3.68Å; L383-W654 HydrophobicContact CG-CZ3 3.8Å; F591-W654 AromaticContact CD1-CE2 3.81Å; F591-W654 HydrophobicContact CD1-CZ2 4.06Å; F591-W654 AromaticContact CD1-NE1 3.58Å; F591-W654 AromaticContact CE1-CD2 3.73Å; F591-W654 HydrophobicContact CE1-CD2 3.73Å; F591-W654 AromaticContact CE1-CE2 3.38Å; F591-W654 HydrophobicContact CE1-CE3 4.25Å; F591-W654 HydrophobicContact CE1-CG 4.18Å; F591-W654 HydrophobicContact CE1-CH2 4.2Å; F591-W654 AromaticContact CE1-CZ2 3.67Å; F591-W654 HydrophobicContact CE1-CZ2 3.67Å; F591-W654 HydrophobicContact CE1-CZ3 4.44Å; F591-W654 AromaticContact CE1-NE1 3.55Å; F591-W654 HydrophobicContact CZ-CD2 4.33Å; L650-W654 WeakPolarHBondContact O-CB 3.5Å; L650-W654 PolarHBondContact O-N 2.9Å; R651-W654 WeakPolarHBondContact O-CB 3.42Å; R651-W654 PolarHBondContact O-N 3.45Å; Q652-W654 PolarHBondContact O-N 3.31Å; W654-N656 VanDerWaalsContact C-N 3.34Å; W654-N656 PolarHBondContact O-N 3.45Å; W654-L657 PolarHBondContact O-N 3.05Å; W654-F658 HydrophobicContact CH2-CB 4.46Å; W654-F658 HydrophobicContact CH2-CD2 4.11Å; W654-F658 HydrophobicContact CZ2-CB 4.21Å; W654-F658 HydrophobicContact CZ2-CD2 4.03Å; W654-F658 HydrophobicContact CZ2-CG 4.28Å; W654-F658 WeakPolarHBondContact O-CB 3.19Å; W654-F658 PolarHBondContact O-N 2.76Å; W654-I677 HydrophobicContact CE3-CD1 4.45Å; W654-I677 HydrophobicContact CZ3-CD1 4.16Å; W654-L680 HydrophobicContact CB-CD1 4.16Å; W654-L680 HydrophobicContact CD2-CD1 4.31Å; W654-L680 HydrophobicContact CE3-CD1 3.74Å; W654-L680 HydrophobicContact CG-CD1 4.47Å
655Q92.8Very high92.8Very high13 Ų1346.1 Ų46.16%0.06123%0.23CC..Hα-helixtrans-58.2-45.5-179.8-72.4171.4-35.500111.6G594 R651 Q652 F658 I659G594-Q655 PolarHBondContact O-NE2 2.91Å; R651-Q655 WeakPolarHBondContact O-CG 3.49Å; R651-Q655 PolarHBondContact O-N 3.41Å; Q652-Q655 PolarHBondContact O-N 3.04Å; Q655-F658 PolarHBondContact O-N 3.13Å; Q655-I659 WeakPolarHBondContact O-CG1 3.45Å; Q655-I659 PolarHBondContact O-N 3.37Å
656N92.7Very high92.5Very high85 Ų8547.2 Ų47.246%0.45524%0.235SC..Hα-helixtrans-62-42.9176.8-78.1-33.5000112.6Q652 W654 K660Q652-N656 WeakPolarHBondContact O-CB 3.43Å; Q652-N656 PolarHBondContact O-N 3.03Å; Q652-N656 PolarHBondContact O-ND2 2.94Å; W654-N656 VanDerWaalsContact C-N 3.34Å; W654-N656 PolarHBondContact O-N 3.45Å; N656-K660 WeakPolarHBondContact O-CB 2.93Å; N656-K660 PolarHBondContact O-N 3.01Å; N656-K660 VanDerWaalsContact O-N 3.08Å
657L94.9Very high92.1Very high5 Ų547.5 Ų47.53%0.02623%0.231CC..Hα-helixtrans-62.6-45.1174.3173.558.5000111.4V382 K653 W654 K660 R661 W669 D673 V676 I677V382-L657 HydrophobicContact CG1-CD2 4.31Å; V382-L657 HydrophobicContact CG1-CG 4.07Å; K653-L657 WeakPolarHBondContact O-CB 3.35Å; K653-L657 PolarHBondContact O-N 2.92Å; W654-L657 PolarHBondContact O-N 3.05Å; L657-K660 PolarHBondContact O-N 3.39Å; L657-R661 HydrophobicContact CD1-CG 3.9Å; L657-R661 HydrophobicContact CG-CG 4.41Å; L657-R661 WeakPolarHBondContact O-CB 3.49Å; L657-R661 WeakPolarHBondContact O-CG 3.46Å; L657-R661 PolarHBondContact O-N 3.43Å; L657-W669 HydrophobicContact CD1-CH2 4.46Å; L657-W669 HydrophobicContact CD1-CZ3 4.09Å; L657-W669 HydrophobicContact CD2-CH2 4.46Å; L657-W669 HydrophobicContact CD2-CZ3 4.06Å; L657-D673 HydrophobicContact CD1-CB 3.68Å; L657-V676 HydrophobicContact CD2-CB 4.23Å; L657-V676 HydrophobicContact CD2-CG1 3.99Å; L657-I677 HydrophobicContact CD2-CD1 3.67Å; L657-I677 HydrophobicContact CD2-CG1 3.84Å
658F95.3Very high91.8Very high5 Ų552.2 Ų52.22%0.02226%0.262CS..Hα-helixtrans-61.5-52.8179.3-177.6-105.8000111.6L360 L378 C379 V382 T595 W654 Q655 K660 R661 I662L360-F658 HydrophobicContact CD1-CE1 4.47Å; L360-F658 HydrophobicContact CD1-CZ 4.2Å; L360-F658 HydrophobicContact CD2-CE1 4.29Å; L378-F658 HydrophobicContact CB-CE2 4.5Å; C379-F658 HydrophobicContact CB-CE2 4.35Å; C379-F658 WeakPolarHBondContact SG-CE2 3.35Å; V382-F658 HydrophobicContact CB-CD2 4.46Å; V382-F658 HydrophobicContact CG2-CD2 4.05Å; V382-F658 HydrophobicContact CG2-CE2 4.49Å; T595-F658 HydrophobicContact CG2-CD1 4.21Å; W654-F658 HydrophobicContact CH2-CB 4.46Å; W654-F658 HydrophobicContact CH2-CD2 4.11Å; W654-F658 HydrophobicContact CZ2-CB 4.21Å; W654-F658 HydrophobicContact CZ2-CD2 4.03Å; W654-F658 HydrophobicContact CZ2-CG 4.28Å; W654-F658 WeakPolarHBondContact O-CB 3.19Å; W654-F658 PolarHBondContact O-N 2.76Å; Q655-F658 PolarHBondContact O-N 3.13Å; F658-K660 VanDerWaalsContact C-N 3.3Å; F658-K660 PolarHBondContact O-N 3.11Å; F658-R661 WeakPolarHBondContact O-CA 3.23Å; F658-R661 WeakPolarHBondContact O-CB 3.49Å; F658-R661 PolarHBondContact O-N 2.94Å; F658-I662 HydrophobicContact CD1-CG1 4.11Å; F658-I662 HydrophobicContact CD2-CG1 4.34Å; F658-I662 HydrophobicContact CE1-CD1 4.29Å; F658-I662 HydrophobicContact CE1-CG1 3.75Å; F658-I662 HydrophobicContact CE2-CD1 3.88Å; F658-I662 HydrophobicContact CE2-CG1 3.98Å; F658-I662 HydrophobicContact CG-CG1 4.4Å; F658-I662 HydrophobicContact CZ-CD1 3.7Å; F658-I662 HydrophobicContact CZ-CG1 3.68Å; F658-I662 WeakPolarHBondContact O-CG1 3.48Å; F658-I662 PolarHBondContact O-N 2.98Å
659I92.8Very high91.9Very high48 Ų4853.5 Ų53.525%0.24626%0.264CS..Hα-helixtrans-57.8-42.9178.1-65.4165.8000111.2Q655 R661 I662 R663Q655-I659 WeakPolarHBondContact O-CG1 3.45Å; Q655-I659 PolarHBondContact O-N 3.37Å; I659-R661 VanDerWaalsContact C-N 3.29Å; I659-R661 PolarHBondContact O-N 2.71Å; I659-I662 PolarHBondContact O-N 3.47Å; I659-R663 WeakPolarHBondContact O-CB 3.47Å; I659-R663 WeakPolarHBondContact O-CG 3.47Å; I659-R663 PolarHBondContact O-N 2.95Å
660K93.3Very high91.9Very high69 Ų6951.1 Ų51.130%0.326%0.258SS..Hα-helixtrans-59.7-35.9175.3172.5-178.2168.9-175.10112.9N656 L657 F658 C664 D673N656-K660 WeakPolarHBondContact O-CB 2.93Å; N656-K660 PolarHBondContact O-N 3.01Å; N656-K660 VanDerWaalsContact O-N 3.08Å; L657-K660 PolarHBondContact O-N 3.39Å; F658-K660 VanDerWaalsContact C-N 3.3Å; F658-K660 PolarHBondContact O-N 3.11Å; K660-C664 PolarHBondContact O-N 2.94Å; K660-D673 WeakPolarHBondContact CE-OD2 3.13Å; K660-D673 IonicContact NZ-OD1 2.65Å; K660-D673 PolarHBondContact NZ-OD1 3.12Å; K660-D673 IonicContact NZ-OD2 2.63Å; K660-D673 PolarHBondContact NZ-OD2 3.43Å
661R93.8Very high91.9Very high10 Ų1058.9 Ų58.94%0.03829%0.294CS..Hα-helixtrans-76.5-41178.3-68-88.3147.7-132.4-13.1111.9V382 L657 F658 I659 C664 P665 K667 P668 D673V382-R661 HydrophobicContact CG1-CB 4.46Å; V382-R661 HydrophobicContact CG1-CG 3.95Å; V382-R661 HydrophobicContact CG2-CB 3.62Å; V382-R661 HydrophobicContact CG2-CG 3.95Å; L657-R661 HydrophobicContact CD1-CG 3.9Å; L657-R661 HydrophobicContact CG-CG 4.41Å; L657-R661 WeakPolarHBondContact O-CB 3.49Å; L657-R661 WeakPolarHBondContact O-CG 3.46Å; L657-R661 PolarHBondContact O-N 3.43Å; F658-R661 WeakPolarHBondContact O-CA 3.23Å; F658-R661 WeakPolarHBondContact O-CB 3.49Å; F658-R661 PolarHBondContact O-N 2.94Å; I659-R661 VanDerWaalsContact C-N 3.29Å; I659-R661 PolarHBondContact O-N 2.71Å; R661-C664 CarbonylContact O-C 3.58Å; R661-C664 PolarHBondContact O-N 3.43Å; R661-P665 VanDerWaalsContact O-CA 3.3Å; R661-P665 WeakPolarHBondContact O-CA 3.35Å; R661-P665 VanDerWaalsContact O-N 3.14Å; R661-K667 PolarHBondContact NH1-O 2.92Å; R661-P668 PolarHBondContact NH2-O 3.32Å; R661-D673 IonicContact CZ-OD2 2.98Å; R661-D673 IonicContact NH2-OD2 2.88Å; R661-D673 PolarHBondContact NH2-OD2 2.63Å
662I95.3Very high91.9Very high4 Ų464.8 Ų64.82%0.02132%0.323CS..Hα-helixtrans-60.9-45.3174.5-68.1-53.5000111.2D359 L360 H363 L378 F481 F658 I659 C664D359-I662 HydrophobicContact CB-CG2 3.76Å; L360-I662 HydrophobicContact CB-CG2 3.98Å; L360-I662 HydrophobicContact CD1-CD1 3.93Å; L360-I662 HydrophobicContact CD1-CG1 4.32Å; H363-I662 PolarHBondContact NE2-O 2.77Å; L378-I662 HydrophobicContact CB-CD1 4.12Å; L378-I662 HydrophobicContact CD1-CD1 4.07Å; F481-I662 HydrophobicContact CE1-CD1 4.06Å; F481-I662 HydrophobicContact CZ-CD1 3.86Å; F658-I662 HydrophobicContact CD1-CG1 4.11Å; F658-I662 HydrophobicContact CD2-CG1 4.34Å; F658-I662 HydrophobicContact CE1-CD1 4.29Å; F658-I662 HydrophobicContact CE1-CG1 3.75Å; F658-I662 HydrophobicContact CE2-CD1 3.88Å; F658-I662 HydrophobicContact CE2-CG1 3.98Å; F658-I662 HydrophobicContact CG-CG1 4.4Å; F658-I662 HydrophobicContact CZ-CD1 3.7Å; F658-I662 HydrophobicContact CZ-CG1 3.68Å; F658-I662 WeakPolarHBondContact O-CG1 3.48Å; F658-I662 PolarHBondContact O-N 2.98Å; I659-I662 PolarHBondContact O-N 3.47Å; I662-C664 PolarHBondContact O-N 3.05Å
663R94Very high92.1Very high154 Ų15461.2 Ų61.258%0.58131%0.306SS*.Hα-helixtrans-66.3-34177.2-78.8177.4173.3166.73.2114.6D359 I659D359-R663 HydrophobicContact CB-CG 4.01Å; D359-R663 VanDerWaalsContact CG-CG 3.45Å; D359-R663 IonicContact OD1-NE 3.76Å; D359-R663 WeakPolarHBondContact OD2-CG 3.2Å; D359-R663 IonicContact OD2-CZ 3.28Å; D359-R663 IonicContact OD2-NE 2.78Å; D359-R663 PolarHBondContact OD2-NE 3.4Å; D359-R663 IonicContact OD2-NH2 3.17Å; D359-R663 PolarHBondContact OD2-NH2 2.9Å; D359-R663 VanDerWaalsContact OD2-NH2 3.09Å; I659-R663 WeakPolarHBondContact O-CB 3.47Å; I659-R663 WeakPolarHBondContact O-CG 3.47Å; I659-R663 PolarHBondContact O-N 2.95Å
664C90.8Very high92.1Very high57 Ų5760.1 Ų60.139%0.38530%0.302SS..  trans-141.166-170.2-66.10000111.7K660 R661 I662 S666 K667K660-C664 PolarHBondContact O-N 2.94Å; R661-C664 CarbonylContact O-C 3.58Å; R661-C664 PolarHBondContact O-N 3.43Å; I662-C664 PolarHBondContact O-N 3.05Å; C664-S666 VanDerWaalsContact C-N 3.25Å; C664-S666 PolarHBondContact O-N 3.5Å; C664-S666 VanDerWaalsContact O-N 3.15Å; C664-K667 HydrophobicContact CB-CB 3.85Å; C664-K667 HydrophobicContact CB-CD 4.22Å; C664-K667 VanDerWaalsContact O-CB 3.28Å; C664-K667 WeakPolarHBondContact O-CB 3.34Å; C664-K667 PolarHBondContact O-N 3.24Å
665P89.2Confident92.2Very high20 Ų2062 Ų6213%0.1332%0.32CS..THydrogen-bonded Turntrans-58.8-33.6-171.720.3-33000113.8F481 R661F481-P665 HydrophobicContact CD1-CB 3.66Å; F481-P665 HydrophobicContact CD2-CB 4.17Å; F481-P665 HydrophobicContact CE1-CB 3.72Å; F481-P665 HydrophobicContact CE2-CB 4.22Å; F481-P665 HydrophobicContact CE2-CG 4.46Å; F481-P665 HydrophobicContact CG-CB 3.89Å; F481-P665 HydrophobicContact CZ-CB 4Å; F481-P665 HydrophobicContact CZ-CG 4.41Å; R661-P665 VanDerWaalsContact O-CA 3.3Å; R661-P665 WeakPolarHBondContact O-CA 3.35Å; R661-P665 VanDerWaalsContact O-N 3.14Å
666S82.9Confident92.4Very high71 Ų7162.4 Ų62.450%0.49732%0.324SS..THydrogen-bonded Turntrans-82.1-2.6178-71.60000115.3C664C664-S666 VanDerWaalsContact C-N 3.25Å; C664-S666 PolarHBondContact O-N 3.5Å; C664-S666 VanDerWaalsContact O-N 3.15Å
667K85.5Confident92.6Very high118 Ų11858.4 Ų58.451%0.51330%0.302SS..SBendtrans-72.4137.3-179.1-172.8168-176.3168.10110.4R661 C664R661-K667 PolarHBondContact NH1-O 2.92Å; C664-K667 HydrophobicContact CB-CB 3.85Å; C664-K667 HydrophobicContact CB-CD 4.22Å; C664-K667 VanDerWaalsContact O-CB 3.28Å; C664-K667 WeakPolarHBondContact O-CB 3.34Å; C664-K667 PolarHBondContact O-N 3.24Å
668P85.1Confident92.7Very high108 Ų10863.1 Ų63.170%0.70132%0.324SS*.PPolyproline II helixtrans-55.2160.3174.4-27.636.1000113.7R661R661-P668 PolarHBondContact NH2-O 3.32Å
669W90.3Very high92.9Very high45 Ų4566 Ų6617%0.1734%0.342CS..PPolyproline II helixtrans-81.6136.9171.5-7276.2000110.3V382 L657 D673 E674 I677V382-W669 HydrophobicContact CG1-CH2 4.02Å; V382-W669 WeakPolarHBondContact O-CH2 3.46Å; L657-W669 HydrophobicContact CD1-CH2 4.46Å; L657-W669 HydrophobicContact CD1-CZ3 4.09Å; L657-W669 HydrophobicContact CD2-CH2 4.46Å; L657-W669 HydrophobicContact CD2-CZ3 4.06Å; W669-D673 HydrophobicContact CD2-CB 4.28Å; W669-D673 HydrophobicContact CE3-CB 3.39Å; W669-D673 HydrophobicContact CZ3-CB 3.9Å; W669-E674 HydrophobicContact CB-CG 4.14Å; W669-E674 WeakPolarHBondContact CB-OE1 3.29Å; W669-E674 HydrophobicContact CE3-CG 4.27Å; W669-E674 VanDerWaalsContact CG-OE1 3.25Å; W669-I677 HydrophobicContact CH2-CD1 4.46Å; W669-I677 HydrophobicContact CH2-CG1 3.99Å; W669-I677 HydrophobicContact CZ3-CD1 4.49Å; W669-I677 HydrophobicContact CZ3-CG1 3.65Å
670S93.1Very high93.1Very high43 Ų4363.8 Ų63.830%0.30133%0.331SS..PPolyproline II helixtrans-88.2161.6166.867.60000110.4Q672 D673 E674S670-Q672 PolarHBondContact O-N 3.04Å; S670-D673 PolarHBondContact N-OD2 3.26Å; S670-D673 WeakPolarHBondContact O-CB 3.11Å; S670-D673 PolarHBondContact O-N 3.44Å; S670-D673 PolarHBondContact OG-N 3.17Å; S670-D673 PolarHBondContact OG-OD1 2.88Å; S670-D673 PolarHBondContact OG-OD2 3.23Å; S670-E674 PolarHBondContact O-N 3.09Å; S670-E674 VanDerWaalsContact O-N 3.11Å
671Q93.6Very high93.3Very high179 Ų17961.5 Ų61.584%0.83632%0.323SS*.Hα-helixtrans-56.9-32.9173.9-171.8178.24.700112.4A675Q671-A675 VanDerWaalsContact O-CB 3.26Å; Q671-A675 WeakPolarHBondContact O-CB 3.25Å; Q671-A675 PolarHBondContact O-N 2.85Å
672Q94.2Very high93.5Very high153 Ų15364.6 Ų64.672%0.71535%0.346SS*.Hα-helixtrans-68-40173-69.4172.7-23.800112.5S670 A675 V676S670-Q672 PolarHBondContact O-N 3.04Å; Q672-A675 PolarHBondContact O-N 2.87Å; Q672-V676 WeakPolarHBondContact O-CG2 3.33Å; Q672-V676 PolarHBondContact O-N 2.82Å
673D94.6Very high93.6Very high10 Ų1067 Ų675%0.05336%0.36CS..Hα-helixtrans-62.5-45.8177.3-64.5-17.8000111L657 K660 R661 W669 S670 V676 I677L657-D673 HydrophobicContact CD1-CB 3.68Å; K660-D673 WeakPolarHBondContact CE-OD2 3.13Å; K660-D673 IonicContact NZ-OD1 2.65Å; K660-D673 PolarHBondContact NZ-OD1 3.12Å; K660-D673 IonicContact NZ-OD2 2.63Å; K660-D673 PolarHBondContact NZ-OD2 3.43Å; R661-D673 IonicContact CZ-OD2 2.98Å; R661-D673 IonicContact NH2-OD2 2.88Å; R661-D673 PolarHBondContact NH2-OD2 2.63Å; W669-D673 HydrophobicContact CD2-CB 4.28Å; W669-D673 HydrophobicContact CE3-CB 3.39Å; W669-D673 HydrophobicContact CZ3-CB 3.9Å; S670-D673 PolarHBondContact N-OD2 3.26Å; S670-D673 WeakPolarHBondContact O-CB 3.11Å; S670-D673 PolarHBondContact O-N 3.44Å; S670-D673 PolarHBondContact OG-N 3.17Å; S670-D673 PolarHBondContact OG-OD1 2.88Å; S670-D673 PolarHBondContact OG-OD2 3.23Å; D673-V676 PolarHBondContact O-N 3.39Å; D673-I677 PolarHBondContact O-N 2.9Å
674E94.4Very high93.8Very high55 Ų5559.6 Ų59.626%0.25733%0.332SS..Hα-helixtrans-65.6-40.9176.7-63.1-67.9164.900111.4K384 W669 S670 V676 I677 Q678K384-E674 IonicContact NZ-OE1 2.72Å; K384-E674 PolarHBondContact NZ-OE1 3.47Å; K384-E674 IonicContact NZ-OE2 3.82Å; K384-E674 PolarHBondContact NZ-OE2 3.39Å; W669-E674 HydrophobicContact CB-CG 4.14Å; W669-E674 WeakPolarHBondContact CB-OE1 3.29Å; W669-E674 HydrophobicContact CE3-CG 4.27Å; W669-E674 VanDerWaalsContact CG-OE1 3.25Å; S670-E674 PolarHBondContact O-N 3.09Å; S670-E674 VanDerWaalsContact O-N 3.11Å; E674-V676 PolarHBondContact O-N 2.97Å; E674-I677 PolarHBondContact O-N 3.41Å; E674-Q678 WeakPolarHBondContact O-CG 3.22Å; E674-Q678 PolarHBondContact O-N 3.36Å
675A96.9Very high94Very high50 Ų5058.1 Ų58.141%0.41333%0.326SS..Hα-helixtrans-61.1-41.8177.900000112.4Q671 Q672 I677 Q678 T679Q671-A675 VanDerWaalsContact O-CB 3.26Å; Q671-A675 WeakPolarHBondContact O-CB 3.25Å; Q671-A675 PolarHBondContact O-N 2.85Å; Q672-A675 PolarHBondContact O-N 2.87Å; A675-I677 VanDerWaalsContact C-N 3.32Å; A675-I677 PolarHBondContact O-N 2.98Å; A675-Q678 PolarHBondContact O-N 3.42Å; A675-T679 PolarHBondContact O-N 3.45Å; A675-T679 PolarHBondContact O-OG1 3.5Å; A675-T679 VanDerWaalsContact O-OG1 3.12Å
676V97.6Very high94.3Very high22 Ų2260 Ų6013%0.13334%0.344CS..Hα-helixtrans-59.5-42.8175169.60000111.2L650 K653 L657 Q672 D673 E674 L680L650-V676 HydrophobicContact CD1-CG1 4.47Å; K653-V676 HydrophobicContact CB-CG1 4.11Å; K653-V676 HydrophobicContact CB-CG2 3.9Å; K653-V676 HydrophobicContact CD-CG2 4.4Å; K653-V676 HydrophobicContact CG-CG2 4.41Å; L657-V676 HydrophobicContact CD2-CB 4.23Å; L657-V676 HydrophobicContact CD2-CG1 3.99Å; Q672-V676 WeakPolarHBondContact O-CG2 3.33Å; Q672-V676 PolarHBondContact O-N 2.82Å; D673-V676 PolarHBondContact O-N 3.39Å; E674-V676 PolarHBondContact O-N 2.97Å; V676-L680 HydrophobicContact CG1-CD1 4.06Å; V676-L680 VanDerWaalsContact O-CG 3.28Å; V676-L680 WeakPolarHBondContact O-CG 3.46Å; V676-L680 PolarHBondContact O-N 2.9Å
677I97.5Very high94.9Very high1 Ų159 Ų591%0.00533%0.332CS..Hα-helixtrans-65.3-44175.7-62.5-59000111.4V382 L383 N496 W654 L657 W669 D673 E674 A675 T679 L680 V681V382-I677 HydrophobicContact CG1-CD1 4.49Å; V382-I677 WeakPolarHBondContact O-CD1 2.89Å; L383-I677 HydrophobicContact CD2-CD1 4.4Å; N496-I677 WeakPolarHBondContact ND2-CG2 2.84Å; W654-I677 HydrophobicContact CE3-CD1 4.45Å; W654-I677 HydrophobicContact CZ3-CD1 4.16Å; L657-I677 HydrophobicContact CD2-CD1 3.67Å; L657-I677 HydrophobicContact CD2-CG1 3.84Å; W669-I677 HydrophobicContact CH2-CD1 4.46Å; W669-I677 HydrophobicContact CH2-CG1 3.99Å; W669-I677 HydrophobicContact CZ3-CD1 4.49Å; W669-I677 HydrophobicContact CZ3-CG1 3.65Å; D673-I677 PolarHBondContact O-N 2.9Å; E674-I677 PolarHBondContact O-N 3.41Å; A675-I677 VanDerWaalsContact C-N 3.32Å; A675-I677 PolarHBondContact O-N 2.98Å; I677-T679 VanDerWaalsContact C-N 3.34Å; I677-T679 PolarHBondContact O-N 3.03Å; I677-L680 HydrophobicContact CD1-CD1 4.25Å; I677-L680 PolarHBondContact O-N 3.05Å; I677-V681 HydrophobicContact CG2-CG2 4.08Å; I677-V681 WeakPolarHBondContact O-CG2 3.38Å; I677-V681 PolarHBondContact O-N 3.38Å
678Q97.4Very high95.3Very high103 Ų10353.8 Ų53.848%0.48131%0.309SS..Hα-helixtrans-62.7-39.3178.8-68.5-64.1-20.200112.4E674 A675 V681 S682E674-Q678 WeakPolarHBondContact O-CG 3.22Å; E674-Q678 PolarHBondContact O-N 3.36Å; A675-Q678 PolarHBondContact O-N 3.42Å; Q678-V681 PolarHBondContact O-N 3.2Å; Q678-S682 WeakPolarHBondContact O-CB 3.49Å; Q678-S682 PolarHBondContact O-N 3.34Å; Q678-S682 PolarHBondContact O-OG 3.11Å
679T98.1Very high95.7Very high67 Ų6756.2 Ų56.241%0.41131%0.311SS..Hα-helixtrans-64.8-44.4173.5-53.80000111.5L650 A675 I677 S682 V683L650-T679 HydrophobicContact CD1-CG2 4.23Å; L650-T679 HydrophobicContact CD2-CG2 3.71Å; A675-T679 PolarHBondContact O-N 3.45Å; A675-T679 PolarHBondContact O-OG1 3.5Å; A675-T679 VanDerWaalsContact O-OG1 3.12Å; I677-T679 VanDerWaalsContact C-N 3.34Å; I677-T679 PolarHBondContact O-N 3.03Å; T679-S682 PolarHBondContact O-N 3.26Å; T679-V683 HydrophobicContact CG2-CG2 4.24Å; T679-V683 WeakPolarHBondContact O-CG2 3.45Å; T679-V683 PolarHBondContact O-N 3.2Å
680L97.9Very high95.8Very high1 Ų162.1 Ų62.11%0.00534%0.34CS..Hα-helixtrans-59.4-47.9175.5-72.1165.9000111.9L383 M590 F591 L650 W654 V676 I677 S682 V683 L684L383-L680 HydrophobicContact CD2-CD1 4.46Å; M590-L680 HydrophobicContact CE-CD2 4.35Å; M590-L680 HydrophobicContact SD-CD2 3.57Å; M590-L680 VanDerWaalsContact SD-CD2 3.57Å; F591-L680 HydrophobicContact CE2-CD2 4.42Å; F591-L680 HydrophobicContact CZ-CD1 4.48Å; F591-L680 HydrophobicContact CZ-CD2 4.15Å; L650-L680 HydrophobicContact CD1-CD2 4.08Å; L650-L680 HydrophobicContact CD1-CG 4.11Å; L650-L680 HydrophobicContact CD2-CD2 4.16Å; L650-L680 HydrophobicContact CG-CD2 3.83Å; L650-L680 HydrophobicContact CG-CG 4.39Å; W654-L680 HydrophobicContact CB-CD1 4.16Å; W654-L680 HydrophobicContact CD2-CD1 4.31Å; W654-L680 HydrophobicContact CE3-CD1 3.74Å; W654-L680 HydrophobicContact CG-CD1 4.47Å; V676-L680 HydrophobicContact CG1-CD1 4.06Å; V676-L680 VanDerWaalsContact O-CG 3.28Å; V676-L680 WeakPolarHBondContact O-CG 3.46Å; V676-L680 PolarHBondContact O-N 2.9Å; I677-L680 HydrophobicContact CD1-CD1 4.25Å; I677-L680 PolarHBondContact O-N 3.05Å; L680-S682 VanDerWaalsContact C-N 3.25Å; L680-S682 PolarHBondContact O-N 3.01Å; L680-V683 PolarHBondContact O-N 2.99Å; L680-L684 VanDerWaalsContact O-CB 3.26Å; L680-L684 WeakPolarHBondContact O-CB 3.29Å; L680-L684 WeakPolarHBondContact O-CD1 3.44Å; L680-L684 WeakPolarHBondContact O-CG 3.32Å; L680-L684 PolarHBondContact O-N 3.21Å
681V97.8Very high95.7Very high21 Ų2161.3 Ų61.313%0.12734%0.336CS..Hα-helixtrans-56.6-41.2177.3173.30000111.2N496 V502 I677 Q678 G685N496-V681 HydrophobicContact CB-CG2 4.49Å; N496-V681 WeakPolarHBondContact ND2-CG2 3.21Å; V502-V681 HydrophobicContact CG2-CB 4.19Å; V502-V681 HydrophobicContact CG2-CG1 4.3Å; V502-V681 HydrophobicContact CG2-CG2 3.83Å; I677-V681 HydrophobicContact CG2-CG2 4.08Å; I677-V681 WeakPolarHBondContact O-CG2 3.38Å; I677-V681 PolarHBondContact O-N 3.38Å; Q678-V681 PolarHBondContact O-N 3.2Å; V681-G685 PolarHBondContact O-N 2.86Å; V681-G685 VanDerWaalsContact O-N 3.13Å
682S97.6Very high95.5Very high75 Ų7555.7 Ų55.752%0.52433%0.326SS..Hα-helixtrans-70.6-49.2-179.4-55.70000112.3Q678 T679 L680 G685 A686Q678-S682 WeakPolarHBondContact O-CB 3.49Å; Q678-S682 PolarHBondContact O-N 3.34Å; Q678-S682 PolarHBondContact O-OG 3.11Å; T679-S682 PolarHBondContact O-N 3.26Å; L680-S682 VanDerWaalsContact C-N 3.25Å; L680-S682 PolarHBondContact O-N 3.01Å; S682-G685 PolarHBondContact O-N 2.98Å; S682-A686 WeakPolarHBondContact O-CB 3.47Å; S682-A686 PolarHBondContact O-N 2.82Å
683V97.3Very high95.3Very high53 Ų5349 Ų4932%0.32130%0.296SS..Hα-helixtrans-64.7-46.5-179.5172.60000111.2I586 M590 L650 T679 L680 G685 A686 E687I586-V683 HydrophobicContact CG2-CG1 3.99Å; M590-V683 HydrophobicContact CE-CG1 3.87Å; L650-V683 HydrophobicContact CD2-CG2 4.18Å; T679-V683 HydrophobicContact CG2-CG2 4.24Å; T679-V683 WeakPolarHBondContact O-CG2 3.45Å; T679-V683 PolarHBondContact O-N 3.2Å; L680-V683 PolarHBondContact O-N 2.99Å; V683-G685 VanDerWaalsContact C-N 3.32Å; V683-G685 PolarHBondContact O-N 3.43Å; V683-A686 PolarHBondContact O-N 3.3Å; V683-E687 VanDerWaalsContact O-CB 3.3Å; V683-E687 WeakPolarHBondContact O-CB 3.28Å; V683-E687 PolarHBondContact O-N 2.61Å
684L97.2Very high94.8Very high0 Ų054.5 Ų54.50%032%0.321CS..Hα-helixtrans-63.9-37.5178.4-66.6169.9000112.1A501 V502 A505 T587 M590 F591 L680 E688A501-L684 HydrophobicContact CB-CB 3.88Å; A501-L684 WeakPolarHBondContact CB-O 3.33Å; V502-L684 HydrophobicContact CG2-CD1 4.27Å; A505-L684 HydrophobicContact CB-CD1 3.75Å; T587-L684 HydrophobicContact CG2-CD2 4.17Å; T587-L684 WeakPolarHBondContact OG1-CD2 3.49Å; M590-L684 HydrophobicContact SD-CD2 4.37Å; F591-L684 HydrophobicContact CE2-CD1 3.97Å; F591-L684 HydrophobicContact CE2-CD2 4.21Å; F591-L684 HydrophobicContact CZ-CD1 4.32Å; L680-L684 VanDerWaalsContact O-CB 3.26Å; L680-L684 WeakPolarHBondContact O-CB 3.29Å; L680-L684 WeakPolarHBondContact O-CD1 3.44Å; L680-L684 WeakPolarHBondContact O-CG 3.32Å; L680-L684 PolarHBondContact O-N 3.21Å; L684-E688 PolarHBondContact O-N 2.85Å; L684-E688 VanDerWaalsContact O-N 3.11Å
685G96Very high94.7Very high25 Ų2556.1 Ų56.126%0.25833%0.328SS..Hα-helixtrans-66.8-43.1176.200000113.2V681 S682 V683 Q689V681-G685 PolarHBondContact O-N 2.86Å; V681-G685 VanDerWaalsContact O-N 3.13Å; S682-G685 PolarHBondContact O-N 2.98Å; V683-G685 VanDerWaalsContact C-N 3.32Å; V683-G685 PolarHBondContact O-N 3.43Å; G685-Q689 WeakPolarHBondContact O-CB 3.36Å; G685-Q689 PolarHBondContact O-N 3Å; G685-Q689 VanDerWaalsContact O-N 3.07Å
686A95.9Very high94.5Very high60 Ų6054.3 Ų54.350%0.49631%0.312SS..Hα-helixtrans-65.5-45.217700000112S682 V683 E688 Q689 E690S682-A686 WeakPolarHBondContact O-CB 3.47Å; S682-A686 PolarHBondContact O-N 2.82Å; V683-A686 PolarHBondContact O-N 3.3Å; A686-E688 PolarHBondContact O-N 3.21Å; A686-Q689 WeakPolarHBondContact O-CB 3.34Å; A686-Q689 PolarHBondContact O-N 2.98Å; A686-E690 PolarHBondContact O-N 2.95Å
687E94.9Very high94.1Very high51 Ų5158.9 Ų58.924%0.23834%0.341CS..Hα-helixtrans-60.1-40.5176.5169.683.1165.500112.2T584 S585 I586 V683 A691T584-E687 VanDerWaalsContact CB-OE1 3.25Å; T584-E687 WeakPolarHBondContact CB-OE1 3.46Å; T584-E687 HydrophobicContact CG2-CG 3.82Å; T584-E687 WeakPolarHBondContact OG1-CG 3.35Å; S585-E687 PolarHBondContact N-OE1 3.2Å; I586-E687 HydrophobicContact CB-CG 3.98Å; I586-E687 WeakPolarHBondContact CB-OE1 3.23Å; I586-E687 HydrophobicContact CG1-CG 4.25Å; I586-E687 VanDerWaalsContact CG1-OE1 3.26Å; I586-E687 WeakPolarHBondContact CG1-OE1 3.42Å; I586-E687 WeakPolarHBondContact CG1-OE2 3.3Å; I586-E687 PolarHBondContact N-OE1 3.39Å; V683-E687 VanDerWaalsContact O-CB 3.3Å; V683-E687 WeakPolarHBondContact O-CB 3.28Å; V683-E687 PolarHBondContact O-N 2.61Å; E687-A691 VanDerWaalsContact O-CB 3.28Å; E687-A691 WeakPolarHBondContact O-CB 3.4Å; E687-A691 PolarHBondContact O-N 2.9Å
688E93.4Very high93.8Very high7 Ų759.3 Ų59.33%0.03335%0.345CS..Hα-helixtrans-69.5-36.4173.6-74.2-138.3139.100113A501 K504 T584 L684 A686 A691 G692 L693A501-E688 HydrophobicContact CB-CB 4.26Å; A501-E688 HydrophobicContact CB-CG 3.56Å; K504-E688 WeakPolarHBondContact CD-OE1 3.1Å; K504-E688 WeakPolarHBondContact CE-OE1 3.25Å; K504-E688 IonicContact NZ-OE1 2.9Å; K504-E688 PolarHBondContact NZ-OE1 2.88Å; K504-E688 IonicContact NZ-OE2 2.65Å; T584-E688 HydrophobicContact CG2-CG 3.94Å; L684-E688 PolarHBondContact O-N 2.85Å; L684-E688 VanDerWaalsContact O-N 3.11Å; A686-E688 PolarHBondContact O-N 3.21Å; E688-A691 PolarHBondContact O-N 3.28Å; E688-G692 PolarHBondContact O-N 3.41Å; E688-L693 HydrophobicContact CB-CB 4.12Å; E688-L693 HydrophobicContact CB-CD1 4.45Å; E688-L693 HydrophobicContact CG-CD1 4.13Å; E688-L693 WeakPolarHBondContact O-CB 3.17Å; E688-L693 PolarHBondContact O-N 2.82Å; E688-L693 WeakPolarHBondContact OE1-CD1 3.26Å
689Q93.2Very high93.5Very high159 Ų15954.4 Ų54.474%0.74332%0.322SS*.Hα-helixtrans-64-44.7176.4-178.6176.3-37.400111.5G685 A686 G692G685-Q689 WeakPolarHBondContact O-CB 3.36Å; G685-Q689 PolarHBondContact O-N 3Å; G685-Q689 VanDerWaalsContact O-N 3.07Å; A686-Q689 WeakPolarHBondContact O-CB 3.34Å; A686-Q689 PolarHBondContact O-N 2.98Å; Q689-G692 PolarHBondContact O-N 3.37Å
690E93Very high93Very high169 Ų16951.9 Ų51.979%0.7931%0.31SS*.Hα-helixtrans-67.2-37.8177.6-168.558.4-151.300111.7A686 G692A686-E690 PolarHBondContact O-N 2.95Å; E690-G692 PolarHBondContact O-N 3.31Å
691A90.7Very high92.4Very high26 Ų2657.8 Ų57.822%0.21534%0.337CS..THydrogen-bonded Turntrans-67.61.2170.300000114.3P559 T560 T584 E687 E688 L693P559-A691 WeakPolarHBondContact CB-O 3.45Å; T560-A691 HydrophobicContact CG2-CB 3.83Å; T584-A691 HydrophobicContact CG2-CB 4Å; E687-A691 VanDerWaalsContact O-CB 3.28Å; E687-A691 WeakPolarHBondContact O-CB 3.4Å; E687-A691 PolarHBondContact O-N 2.9Å; E688-A691 PolarHBondContact O-N 3.28Å; A691-L693 HydrophobicContact CB-CD1 3.98Å; A691-L693 HydrophobicContact CB-CG 4.25Å; A691-L693 PolarHBondContact O-N 2.71Å
692G89.6Confident91.5Very high61 Ų6162.2 Ų62.263%0.62935%0.352SS*.THydrogen-bonded Turntrans66.719.4-179.400000114.2E688 Q689 E690E688-G692 PolarHBondContact O-N 3.41Å; Q689-G692 PolarHBondContact O-N 3.37Å; E690-G692 PolarHBondContact O-N 3.31Å
693L90.6Very high90.4Very high14 Ų1459.2 Ų59.27%0.07333%0.33CS..  trans-81.1129.1179.5-71.9163000110.2F426 P559 T560 T584 E688 A691F426-L693 HydrophobicContact CD2-CD2 4.14Å; P559-L693 HydrophobicContact CB-CD2 4.46Å; P559-L693 HydrophobicContact CG-CD2 3.63Å; P559-L693 HydrophobicContact CG-CG 4.22Å; T560-L693 HydrophobicContact CG2-CD1 4.1Å; T584-L693 HydrophobicContact CG2-CD1 3.74Å; E688-L693 HydrophobicContact CB-CB 4.12Å; E688-L693 HydrophobicContact CB-CD1 4.45Å; E688-L693 HydrophobicContact CG-CD1 4.13Å; E688-L693 WeakPolarHBondContact O-CB 3.17Å; E688-L693 PolarHBondContact O-N 2.82Å; E688-L693 WeakPolarHBondContact OE1-CD1 3.26Å; A691-L693 HydrophobicContact CB-CD1 3.98Å; A691-L693 HydrophobicContact CB-CG 4.25Å; A691-L693 PolarHBondContact O-N 2.71Å
694Q84.5Confident89Confident124 Ų12464.8 Ų64.858%0.57935%0.345SS*.  trans-78.9125.7-178.2-65.9-173.7-1900111.2P696Q694-P696 WeakPolarHBondContact O-CD 3.36Å
695Q91.8Very high87.1Confident90 Ų9069.8 Ų69.842%0.42138%0.378SS..  trans-73.9108.4170.617255.174.400110.4E498E498-Q695 PolarHBondContact O-NE2 2.77Å
696P91.8Very high84.8Confident12 Ų1274.1 Ų74.18%0.07839%0.393CS..  trans-72.9149.217932.9-39.2000112.3T425 M430 W500 Q694 I699T425-P696 HydrophobicContact CG2-CB 4.07Å; T425-P696 HydrophobicContact CG2-CG 3.98Å; M430-P696 HydrophobicContact CE-CB 4.43Å; M430-P696 HydrophobicContact CE-CG 3.74Å; W500-P696 HydrophobicContact CB-CG 3.79Å; W500-P696 HydrophobicContact CD2-CG 4.43Å; W500-P696 HydrophobicContact CG-CG 3.85Å; Q694-P696 WeakPolarHBondContact O-CD 3.36Å; P696-I699 HydrophobicContact CB-CG2 3.88Å; P696-I699 HydrophobicContact CG-CD1 4.11Å; P696-I699 HydrophobicContact CG-CG1 4.41Å; P696-I699 HydrophobicContact CG-CG2 3.71Å
697T91Very high82.2Confident118 Ų11875.9 Ų75.972%0.72440%0.398SS*.SBendtrans-101.2140.3-179.856.90000113.1R434R434-T697 PolarHBondContact NH1-O 3.42Å; R434-T697 VanDerWaalsContact NH1-O 3.1Å; R434-T697 PolarHBondContact NH2-O 3.5Å
698G89.8Confident79.5Confident10 Ų1079.8 Ų79.810%0.10343%0.431CS..SBendtrans78.127.4175.400000113.6R434 E498 Q701R434-G698 VanDerWaalsContact NH1-C 3.28Å; R434-G698 PolarHBondContact NH1-O 3.06Å; E498-G698 VanDerWaalsContact OE1-CA 3.28Å; E498-G698 WeakPolarHBondContact OE1-CA 3.39Å; E498-G698 WeakPolarHBondContact OE2-CA 3.38Å; E498-G698 PolarHBondContact OE2-N 3.39Å; G698-Q701 WeakPolarHBondContact O-CG 3.4Å
699I91.9Very high76.8Confident0 Ų087 Ų870%046%0.464CS..SBendtrans-83.7-23.1177.654.5156.4000112.2M430 L433 Q437 E498 W500 V503 P696 Q701M430-I699 HydrophobicContact CE-CG2 3.87Å; M430-I699 HydrophobicContact SD-CG2 3.81Å; L433-I699 HydrophobicContact CD2-CB 4.14Å; L433-I699 HydrophobicContact CD2-CG2 4.43Å; Q437-I699 PolarHBondContact NE2-O 2.96Å; E498-I699 PolarHBondContact OE1-N 3.2Å; E498-I699 PolarHBondContact OE2-N 3.2Å; W500-I699 HydrophobicContact CB-CD1 3.72Å; W500-I699 HydrophobicContact CD2-CD1 4.31Å; W500-I699 HydrophobicContact CE3-CD1 3.78Å; W500-I699 HydrophobicContact CG-CD1 4.33Å; V503-I699 HydrophobicContact CG2-CD1 4.48Å; P696-I699 HydrophobicContact CB-CG2 3.88Å; P696-I699 HydrophobicContact CG-CD1 4.11Å; P696-I699 HydrophobicContact CG-CG1 4.41Å; P696-I699 HydrophobicContact CG-CG2 3.71Å; I699-Q701 VanDerWaalsContact C-N 3.27Å
700G87.6Confident74.1Confident14 Ų1484.1 Ų84.114%0.14445%0.454CS..SBendtrans-85.55.6171.500000113.7S497 E498 R702S497-G700 VanDerWaalsContact O-CA 3.22Å; S497-G700 WeakPolarHBondContact O-CA 3.5Å; S497-G700 PolarHBondContact O-N 2.96Å; S497-G700 VanDerWaalsContact O-N 3.15Å; E498-G700 WeakPolarHBondContact OE1-CA 3.37Å; E498-G700 PolarHBondContact OE1-N 3.07Å; E498-G700 PolarHBondContact OE2-N 2.85Å; G700-R702 PolarHBondContact O-N 2.86Å
701Q85Confident71.3Confident125 Ų12578.2 Ų78.258%0.58444%0.438SS*.  trans-57.8107176.8-76.9-175.917.200111Q437 E498 G698 I699 P703Q437-Q701 PolarHBondContact NE2-O 2.77Å; E498-Q701 PolarHBondContact OE1-N 2.98Å; G698-Q701 WeakPolarHBondContact O-CG 3.4Å; I699-Q701 VanDerWaalsContact C-N 3.27Å; Q701-P703 WeakPolarHBondContact O-CD 3.28Å
702R77.9Confident68.6Low114 Ų11483.5 Ų83.543%0.4347%0.47SS..  trans-65.7124.9-175.8174.5143.3-176.3-107-11.4112D387 G700 R704D387-R702 WeakPolarHBondContact OD2-CA 3.26Å; D387-R702 WeakPolarHBondContact OD2-CB 3.28Å; D387-R702 VanDerWaalsContact OD2-CD 3.25Å; D387-R702 WeakPolarHBondContact OD2-CD 3.44Å; D387-R702 WeakPolarHBondContact OD2-CG 3.36Å; D387-R702 IonicContact OD2-NE 3.18Å; G700-R702 PolarHBondContact O-N 2.86Å; R702-R704 PolarHBondContact O-N 2.61Å
703P74.7Confident65.9Low12 Ų1289.5 Ų89.58%0.07847%0.474CS..  trans-45.4126.7166.7-38.844.8000113.8D387 F436 Q701D387-P703 WeakPolarHBondContact OD2-CD 3.16Å; F436-P703 HydrophobicContact CE1-CG 4.2Å; Q701-P703 WeakPolarHBondContact O-CD 3.28Å
704R69.5Low63.1Low169 Ų16994.4 Ų94.464%0.63851%0.51SS*.PPolyproline II helixtrans-59.7133.5172.8-68.5-172.2-177.9-179.25.6109.3Q440 R702Q440-R704 VanDerWaalsContact NE2-N 3.17Å; Q440-R704 PolarHBondContact NE2-O 3.26Å; R702-R704 PolarHBondContact O-N 2.61Å
705P55.5Low60.6Low106 Ų10693.3 Ų93.369%0.68852%0.515SS*.PPolyproline II helixtrans-60.1145.5175.6-22.333.5000111.8
706M49.4Very low57.5Low115 Ų11592.5 Ų92.557%0.56753%0.532SS*.PPolyproline II helixtrans-73125.8170.8-69.9-108.7-78.200110.2L466L466-M706 HydrophobicContact CD2-CE 4.41Å; L466-M706 HydrophobicContact CD2-CG 4.03Å; L466-M706 HydrophobicContact CD2-SD 3.63Å; L466-M706 HydrophobicContact CG-CG 4.38Å; L466-M706 HydrophobicContact CG-SD 4.41Å
707T41.5Very low54.6Low98 Ų98103.3 Ų103.360%0.60157%0.571SS**PPolyproline II helixtrans-76.7134.516226.60000109.5E709 D710T707-E709 PolarHBondContact O-N 3.34Å; T707-D710 PolarHBondContact OG1-OD2 3.15Å
708S38.2Very low51.5Low132 Ų132105.9 Ų105.992%0.92358%0.58SS**THydrogen-bonded Turntrans-75.811-169.250.90000115.7
709E35.1Very low48.6Very low158 Ų158110.6 Ų110.674%0.73861%0.612SS**THydrogen-bonded Turntrans-108.5-9.9178.5-61.6-155.615300114.2T707 G711T707-E709 PolarHBondContact O-N 3.34Å; E709-G711 PolarHBondContact O-N 2.86Å
710D37.6Very low45.4Very low100 Ų100121 Ų12154%0.53566%0.657SS.*  trans-84.156.6-176.2-66.9-61.6000112.6T707T707-D710 PolarHBondContact OG1-OD2 3.15Å
711G33.6Very low42.6Very low44 Ų44125.4 Ų125.445%0.45469%0.692SS.*  trans-65.4162.216200000111.8E709 R713E709-G711 PolarHBondContact O-N 2.86Å; G711-R713 PolarHBondContact O-N 2.9Å
712P34.8Very low39.7Very low137 Ų137125.2 Ų125.289%0.8970%0.704SS**  trans-70.786-172.629.3-36000112.3S714P712-S714 PolarHBondContact O-N 3.42Å
713R32.8Very low37.3Very low188 Ų188125.2 Ų125.271%0.70972%0.722SS**  trans-59.5128.1177.2-65.2-173.3-177.3-162.70.1110.6G711G711-R713 PolarHBondContact O-N 2.9Å
714S30.4Very low34.9Very low117 Ų117134 Ų13482%0.81876%0.762SS**  trans-67.4138175.248.30000110.3P712 G716P712-S714 PolarHBondContact O-N 3.42Å; S714-G716 PolarHBondContact O-N 3.21Å
715S31.9Very low32.9Very low100 Ų100133.6 Ų133.670%0.69977%0.772SS**  trans-7886.9-173.753.70000111.7R717S715-R717 PolarHBondContact O-N 3.23Å
716G27Very low31.5Very low74 Ų74134.7 Ų134.776%0.76378%0.779SS**  trans-60129.9163.200000110.4S714S714-G716 PolarHBondContact O-N 3.21Å
717R30.7Very low30.4Very low239 Ų239134.7 Ų134.790%0.90279%0.79SS**  trans-65.5136.4179.1-72.3172.1168.2161.3-6.9110.7S715S715-R717 PolarHBondContact O-N 3.23Å
718N26.2Very low29.7Very low172 Ų172139 Ų13992%0.9280%0.803SS**  trans-149114.1131.8-114.8-26.5000110.6
719S29.1Very low29.1Very low109 Ų109140.3 Ų140.376%0.76280%0.8SS**  trans-101.4120.9-176.451.20000110.8
720K25.8Very low28.7Very low217 Ų217138.7 Ų138.794%0.94380%0.801SS**  trans-149.1110.6151.1-107.9168.4-173.7178.80108.2
721A27.3Very low28.1Very low107 Ų107140.8 Ų140.888%0.88481%0.812SS**  trans-95.6144.2177.600000110.2
722S25.1Very low27.8Very low121 Ų121144.1 Ų144.185%0.84682%0.819SS**  trans-140.9100.7160.156.80000108
723S26.8Very low27.5Very low115 Ų115146.4 Ų146.480%0.80482%0.815SS**  trans-76.6137.7177.451.40000111.5
724Q25.4Very low27.6Very low196 Ų196142.8 Ų142.892%0.91682%0.816SS**  trans-151.5138.7153.8-112.316020.300110.9
725L26.4Very low27.4Very low161 Ų161149.1 Ų149.184%0.84382%0.822SS**  trans-88153.3170.8-78.3156.9000109.1
726P26.9Very low26.9Very low129 Ų129154.9 Ų154.984%0.83883%0.829SS**  trans-73.7137.5-179.130.5-34.5000111.8
727S24.9Very low26.7Very low115 Ų115158.6 Ų158.680%0.80483%0.828SS**  trans-123.7162.1167.759.30000110.8
728H27.8Very low26.4Very low189 Ų189153.3 Ų153.388%0.87582%0.817SS**  trans-60.8146.8-162.8-77.9-106.1000116
729N25.4Very low26.3Very low159 Ų159149.8 Ų149.885%0.8581%0.806SS**  trans-58.1138.4161-74.1-24.6000111.6
730T25.8Very low26.1Very low124 Ų124149 Ų14976%0.76180%0.8SS**  trans-160.9131.9137.17.10000112.5
731N26.3Very low26.2Very low143 Ų143145.2 Ų145.277%0.76579%0.79SS**  trans62.6127.1148.5-60-1.2000124.1
732D26.6Very low26.1Very low115 Ų115146.1 Ų146.162%0.61578%0.779SS**  trans65.999.3137.2-83.6-46.6000124.2
733K28.8Very low26.2Very low184 Ų184146.3 Ų146.380%0.877%0.77SS**  71.7158.1117.7-76.4-175.9-1671070120.9
734P35.5Very low26.1Very low113 Ų113148.4 Ų148.473%0.73477%0.765SS**  trans-122.5150.9-153.439.7-25.3000116.6
735R24.8Very low26Very low249 Ų249144.5 Ų144.594%0.9476%0.755SS**  trans-132.4114.4147.3-71.1-178.3172.1-179.6-3.4106
736R22.7Very low25.9Very low221 Ų221144 Ų14483%0.83475%0.753SS**  cis77.212546.6-157.4-165.2-159.9-166.47.7111.5
737M23.2Very low25.7Very low152 Ų152141.5 Ų141.575%0.74974%0.739SS**  trans78.1144.3175.4-53-148.6115.200114.5
738L23.6Very low25.6Very low129 Ų129144.7 Ų144.768%0.67574%0.74SS**  cis-159.6155.30.1-129.3169.5000110.4
739S24.2Very low25.4Very low98 Ų98140.7 Ų140.769%0.68573%0.734SS**  trans57.3147.6153.341.40000119.4
740S25.2Very low25.3Very low92 Ų92143.3 Ų143.364%0.64373%0.732SS**  cis-168.4150.63.235.60000110.6
741D26.5Very low25.3Very low137 Ų137143.5 Ų143.573%0.73373%0.728SS**  trans71.1141.8135.4-66.21.7000121.2
742L27.1Very low25.2Very low126 Ų126144.9 Ų144.966%0.6673%0.73SS**  cis-157.6136.7-1.9-108.6159.8000111
743L26.7Very low25Very low125 Ų125145.7 Ų145.765%0.65474%0.739SS**  trans66.1159.5150.4-52.5178.5000119
744K25.1Very low24.7Very low160 Ų160141.8 Ų141.870%0.69674%0.735SS**  cis-153.4125.9-10.8-116.7157.6-173.4174.90105
745T22.7Very low24.1Very low114 Ų114144.9 Ų144.970%0.69974%0.744SS**  41.6101.573.165.80000116
746N23.2Very low24.1Very low150 Ų150136.8 Ų136.880%0.80273%0.73SS**  trans143.7131139.3-76.513.5000110.5
747S22.6Very low24.1Very low77 Ų77133.6 Ų133.654%0.53873%0.728SS.*  cis103.1123.921.574.90000113.3
748H23.9Very low24.1Very low181 Ų181135.6 Ų135.684%0.83873%0.733SS**  trans66157.2173.8-51.3-67.2000114.4
749S22.4Very low24Very low105 Ų105138.9 Ų138.973%0.73474%0.742SS**  cis-158.9149-10.729.50000110.2
750R24.3Very low23.9Very low214 Ų214141 Ų14181%0.80875%0.745SS**  trans31.6154.8131.1-119.8-170.2-166.3171.52.6122.4
751D25.1Very low23.8Very low128 Ų128146.7 Ų146.768%0.68475%0.752SS**  trans73.9147.5159.1-47-31000114.9
752E24.3Very low23.5Very low172 Ų172145.5 Ų145.580%0.80475%0.746SS**  cis-161.9-164.8-6.3-132.2-169.7172.800112
753V23.9Very low23.2Very low133 Ų133149 Ų14981%0.80675%0.752SS**  trans88.6124.5158.1-164.30000119.4
754S22.5Very low23.6Very low102 Ų102148.6 Ų148.671%0.71376%0.756SS**  trans-97.1168.4177.155.60000113.5
755L22.9Very low23.6Very low177 Ų177146.9 Ų146.993%0.92776%0.764SS**  trans-162.4165.3145.4-110.3160.1000110.9
756A24Very low23.6Very low79 Ų79146.4 Ų146.465%0.65377%0.766SS**  trans-144.7158.4-158.600000115.7
757I23.2Very low23.7Very low155 Ų155143.9 Ų143.980%0.79576%0.76SS**  trans64112.9158.5-60.6159.7000117.3
758K22.5Very low23.8Very low193 Ų193145.4 Ų145.484%0.83977%0.771SS**  -176.7161.1106.7-127.2147.3-172.6172.30116.2
759K22.9Very low23.9Very low199 Ų199142.7 Ų142.787%0.86577%0.772SS**  trans85.8153.8160.2-74.5-173.5172.9-172.90119.8
760L22Very low24Very low142 Ų142143 Ų14374%0.74377%0.774SS**  trans-118.8152.5-169.2-90.172000109.6
761W21.5Very low24.3Very low212 Ų212137.8 Ų137.880%0.80377%0.771SS**  trans61.3144.7145.8-64.738.5000115.6
762D21.6Very low24.2Very low112 Ų112138.1 Ų138.160%0.59978%0.781SS**  cis-162.9151.941.8-108.4-40.7000112.9
763Y20.4Very low24.5Very low200 Ų200135.4 Ų135.478%0.78478%0.781SS**  trans47.6175.5147.9-74.2-64.6000122.4
764P33.7Very low24.7Very low116 Ų116135.6 Ų135.675%0.75378%0.783SS**  cis-128.1168.6-38.434.5-20000113.3
765S25.1Very low25Very low123 Ų123136.1 Ų136.186%0.8678%0.781SS**  trans-156.3133150.761.70000111.6
766S24.7Very low25.3Very low104 Ų104134 Ų13473%0.72777%0.77SS**  trans-103.5172.5-178.4600000112.8
767S24.3Very low25.4Very low97 Ų97137.3 Ų137.368%0.67878%0.777SS**  trans29.5141139.164.60000120.7
768S25.6Very low25.6Very low110 Ų110133 Ų13377%0.76977%0.771SS**  cis167.6155-1.548.80000108.2
769S25Very low26.3Very low124 Ų124129.9 Ų129.987%0.86777%0.771SS**  trans-169.4128.9137.554.90000110.9
770S25.8Very low27.7Very low112 Ų112125.8 Ų125.878%0.78376%0.764SS**PPolyproline II helixtrans-92167.2-175.9550000113.9
771S30.4Very low27.8Very low104 Ų104128.6 Ų128.673%0.72777%0.773SS**PPolyproline II helixtrans-48.3160.6155.650.10000114.2
772C21.9Very low28.1Very low135 Ų135123.3 Ų123.391%0.91277%0.769SS**PPolyproline II helixtrans-98.9147.3161.1-680000111.9
773S30.1Very low29.2Very low115 Ų115123.2 Ų123.280%0.80477%0.774SS**  trans-136.5168.3178.455.40000110.1
774V29Very low29.4Very low137 Ų137119.1 Ų119.183%0.8378%0.775SS**  trans-171.4143-179.9133.40000106.2
775T28.6Very low29Very low112 Ų112117.4 Ų117.469%0.68778%0.778SS**  cis-165.5167-11.236.40000106.4
776L29Very low29.1Very low132 Ų132121.6 Ų121.669%0.69178%0.781SS**  cis-166.1165.3-8.2-111.3167.1000107.9
777D26.4Very low29.1Very low150 Ų150124.7 Ų124.780%0.80279%0.788SS**  trans58.1164.3156.4-55.7-34.1000119.8
778G27Very low29.2Very low65 Ų65125.8 Ų125.867%0.6779%0.791SS**  cis-171.7164.6-6.300000111.3
779P38.5Very low29.2Very low127 Ų127128.4 Ų128.483%0.82580%0.795SS**  trans-109.1-158.1-165.842-31.4000114.1
780P51.4Low29.1Very low113 Ų113132.3 Ų132.373%0.73480%0.797SS**  -128170.2-88.141.1-25.9000114.6
781E24.6Very low29.1Very low200 Ų200132.7 Ų132.794%0.93580%0.799SS**  trans-172.9173.4141.1-112.6171.2-160.900115
782S27Very low29.3Very low101 Ų101134.6 Ų134.671%0.70681%0.806SS**  trans-150.7-177.5179.870.80000108.3
783P45.7Very low29.6Very low110 Ų110133.8 Ų133.871%0.71480%0.802SS**  cis-127.6179.1231.1-7000112.8
784S25Very low30.1Very low115 Ų115137.2 Ų137.280%0.80481%0.805SS**  173.5148.372.5-64.70000111.9
785G24.4Very low30.1Very low79 Ų79140.4 Ų140.481%0.81481%0.808SS**  trans-171.9119.3167.800000112.4
786K26.3Very low30.4Very low211 Ų211140.4 Ų140.492%0.91781%0.81SS**  trans-88143.6-175.6-65.5177.2179.31750112.1
787L25.4Very low30.8Very low169 Ų169140.6 Ų140.689%0.88582%0.817SS**  trans-157.2111.1150.7-110.2157.3000113.5
788V26Very low31.7Very low121 Ų121140.4 Ų140.473%0.73382%0.821SS**  trans30.7118.6149.6-176.60000121.3
789L25.1Very low32.9Very low164 Ų164140.5 Ų140.586%0.85981%0.811SS**  trans10.9123.3144.1-75.6153000120.3
790K24.1Very low34.8Very low207 Ų207137.7 Ų137.790%0.980%0.795SS**  trans-147.3155.2134.2-115169.7-173.6173.70110.9
791S25.7Very low36.7Very low119 Ų119134.9 Ų134.983%0.83278%0.775SS**  trans-78.5153.8-171.9410000113.7
792V33.5Very low40Very low145 Ų145128.4 Ų128.488%0.87974%0.742SS**  trans-74.8128.7-177.8178.60000111.3
793S28.1Very low43.3Very low117 Ų117124.6 Ų124.682%0.81871%0.712SS**  trans-151.2146.2152.6-163.70000109.5
794Q41.1Very low45.7Very low187 Ų187119.5 Ų119.587%0.87468%0.679SS**  trans-74.1144.4-167.2-65.9171.3-24.600112.7
795K29Very low49Very low205 Ų205114 Ų11489%0.89164%0.641SS**  trans-140.4156.6162.6-86.6-156.2172.4-173.40111.8
796P35.5Very low52.4Low111 Ų111110.2 Ų110.272%0.72160%0.602SS**  trans-111.8170.8-144.439.4-31.8000115.1
797T37.9Very low55.5Low137 Ų137102.9 Ų102.984%0.8457%0.57SS**PPolyproline II helixtrans-60.8139.8166.645.70000111.8S799T797-S799 PolarHBondContact O-N 3.13Å
798V43.8Very low58.6Low146 Ų14695 Ų9589%0.88553%0.529SS*.PPolyproline II helixtrans-72.2125.5-178.3-178.40000111
799S53.3Low61.4Low66 Ų6692.9 Ų92.946%0.46251%0.513SS..PPolyproline II helixtrans-76.9131.817252.80000111.4T797 N840T797-S799 PolarHBondContact O-N 3.13Å; S799-N840 WeakPolarHBondContact CB-O 3.37Å
800S78.8Confident64.3Low69 Ų6986.9 Ų86.948%0.48349%0.485SS..PPolyproline II helixtrans-74.4128.9175.247.80000111.5S841 F842S800-S841 CarbonylContact O-C 3.38Å; S800-S841 WeakPolarHBondContact O-CA 2.82Å; S800-S841 VanDerWaalsContact O-CB 3.26Å; S800-S841 WeakPolarHBondContact O-CB 2.78Å; S800-S841 PolarHBondContact OG-OG 3.49Å; S800-F842 PolarHBondContact O-N 3.39Å
801V90.9Very high67.3Low53 Ų5380.5 Ų80.532%0.32146%0.46SS..EExtended strand (participates in β ladder)trans-84.9136.6173.6-169.90000109.3Y803 F842 I844V801-Y803 HydrophobicContact CB-CE2 4.21Å; V801-Y803 HydrophobicContact CG1-CD2 4.42Å; V801-Y803 HydrophobicContact CG1-CE1 4.08Å; V801-Y803 HydrophobicContact CG1-CE2 3.73Å; V801-F842 WeakPolarHBondContact CA-O 3.5Å; V801-F842 HydrophobicContact CG1-CD1 4.47Å; V801-F842 WeakPolarHBondContact CG1-O 3.43Å; V801-F842 HydrophobicContact CG2-CB 4.24Å; V801-I844 HydrophobicContact CG1-CG1 4.18Å
802R94.1Very high70.3Confident65 Ų6582.7 Ų82.725%0.24545%0.45CS..EExtended strand (participates in β ladder)trans-129.3139.4178.5-62.9-179.772.2176.5-0.2110.2F804 S841 F842 I843 I844 E918R802-F804 HydrophobicContact CB-CE2 3.89Å; R802-S841 WeakPolarHBondContact CD-OG 3.27Å; R802-F842 PolarHBondContact N-O 3.3Å; R802-I843 WeakPolarHBondContact O-CA 3.48Å; R802-I844 PolarHBondContact O-N 3.11Å; R802-E918 IonicContact CZ-OE1 2.77Å; R802-E918 VanDerWaalsContact CZ-OE1 3.23Å; R802-E918 IonicContact CZ-OE2 3.9Å; R802-E918 IonicContact NE-OE1 3.89Å; R802-E918 PolarHBondContact NE-OE1 2.82Å; R802-E918 IonicContact NH2-OE1 2.7Å; R802-E918 PolarHBondContact NH2-OE1 3.16Å; R802-E918 IonicContact NH2-OE2 2.63Å; R802-E918 PolarHBondContact NH2-OE2 3.05Å
803Y95.3Very high72.9Confident21 Ų2176.5 Ų76.58%0.08241%0.412CS..EExtended strand (participates in β ladder)trans-122125.9-171.4-59.4-92.1000110.5V801 I844 I846 E918 L919 P921 L928V801-Y803 HydrophobicContact CB-CE2 4.21Å; V801-Y803 HydrophobicContact CG1-CD2 4.42Å; V801-Y803 HydrophobicContact CG1-CE1 4.08Å; V801-Y803 HydrophobicContact CG1-CE2 3.73Å; Y803-I844 WeakPolarHBondContact CA-O 3.34Å; Y803-I844 HydrophobicContact CD1-CB 3.75Å; Y803-I844 HydrophobicContact CD1-CG1 4.25Å; Y803-I844 HydrophobicContact CD1-CG2 3.93Å; Y803-I844 HydrophobicContact CE1-CB 4.11Å; Y803-I844 HydrophobicContact CE1-CG1 4.1Å; Y803-I844 HydrophobicContact CE1-CG2 4.31Å; Y803-I846 HydrophobicContact CD1-CD1 4.44Å; Y803-E918 CarbonylContact O-C 3.36Å; Y803-E918 WeakPolarHBondContact O-CA 3.34Å; Y803-L919 PolarHBondContact O-N 2.89Å; Y803-P921 HydrophobicContact CE2-CB 4.28Å; Y803-L928 HydrophobicContact CD1-CD1 4.04Å; Y803-L928 HydrophobicContact CE1-CD1 3.95Å; Y803-L928 HydrophobicContact CE1-CD2 4.04Å
804F95.9Very high75.9Confident2 Ų271.1 Ų71.11%0.00937%0.374CS..EExtended strand (participates in β ladder)trans-124.6140.1177.9-61.2-95.3000111.7R802 M806 L833 I843 I844 L845 I846 Q917 E918R802-F804 HydrophobicContact CB-CE2 3.89Å; F804-M806 HydrophobicContact CB-SD 4.49Å; F804-L833 HydrophobicContact CB-CD2 4.36Å; F804-L833 HydrophobicContact CD1-CD2 4.18Å; F804-L833 HydrophobicContact CD2-CD2 3.66Å; F804-L833 HydrophobicContact CE1-CD2 4.41Å; F804-L833 HydrophobicContact CE2-CD2 3.91Å; F804-L833 HydrophobicContact CG-CD2 3.81Å; F804-L833 HydrophobicContact CZ-CD2 4.29Å; F804-I843 HydrophobicContact CD2-CG2 4.11Å; F804-I843 HydrophobicContact CE2-CD1 4.43Å; F804-I843 HydrophobicContact CE2-CG1 4.36Å; F804-I843 HydrophobicContact CE2-CG2 4.4Å; F804-I844 PolarHBondContact N-O 2.91Å; F804-L845 HydrophobicContact CB-CD2 3.87Å; F804-L845 HydrophobicContact CD2-CD2 4.35Å; F804-L845 HydrophobicContact CG-CD2 4.49Å; F804-L845 WeakPolarHBondContact O-CA 3.42Å; F804-I846 PolarHBondContact O-N 2.98Å; F804-Q917 WeakPolarHBondContact CA-O 3.47Å; F804-E918 HydrophobicContact CD1-CB 3.83Å; F804-E918 HydrophobicContact CD1-CG 4.05Å; F804-E918 HydrophobicContact CE1-CB 3.63Å; F804-E918 HydrophobicContact CE1-CG 3.64Å; F804-E918 HydrophobicContact CE2-CG 4.45Å; F804-E918 HydrophobicContact CZ-CB 4.36Å; F804-E918 HydrophobicContact CZ-CG 3.86Å
805I96Very high78.2Confident0 Ų066.4 Ų66.40%035%0.352CS..EExtended strand (participates in β ladder)trans-86.2122.3172.4-61.7-53.9000109.9K807 I846 F855 G916 Q917 L919 L927I805-K807 HydrophobicContact CG2-CD 4.15Å; I805-K807 HydrophobicContact CG2-CG 4.21Å; I805-I846 HydrophobicContact CD1-CB 3.84Å; I805-I846 HydrophobicContact CD1-CD1 4.28Å; I805-I846 HydrophobicContact CD1-CG2 4.2Å; I805-F855 HydrophobicContact CD1-CE1 3.91Å; I805-G916 PolarHBondContact O-N 2.79Å; I805-Q917 PolarHBondContact N-O 3.23Å; I805-L919 HydrophobicContact CD1-CD1 3.83Å; I805-L919 HydrophobicContact CD1-CD2 4.37Å; I805-L919 HydrophobicContact CD1-CG 4.24Å; I805-L919 HydrophobicContact CG1-CD1 4.23Å; I805-L919 HydrophobicContact CG1-CD2 3.86Å; I805-L919 HydrophobicContact CG1-CG 4.09Å; I805-L927 HydrophobicContact CD1-CD2 4.33Å
806M94.6Very high81.1Confident0 Ų057.5 Ų57.50%031%0.314CS..EExtended strand (participates in β ladder)trans-105.9123.9174.9-58.3-46.1-53.900110.1F804 T825 L845 I846 F847 S848 D915F804-M806 HydrophobicContact CB-SD 4.49Å; M806-T825 VanDerWaalsContact CE-OG1 3.26Å; M806-T825 WeakPolarHBondContact CE-OG1 3.28Å; M806-L845 HydrophobicContact CG-CB 3.94Å; M806-L845 HydrophobicContact CG-CD1 4.43Å; M806-L845 HydrophobicContact CG-CD2 4.17Å; M806-L845 HydrophobicContact CG-CG 4.41Å; M806-L845 HydrophobicContact SD-CD2 4.17Å; M806-I846 PolarHBondContact N-O 2.99Å; M806-F847 HydrophobicContact CB-CD1 3.6Å; M806-F847 HydrophobicContact CB-CE1 3.68Å; M806-F847 HydrophobicContact CB-CG 4.33Å; M806-F847 HydrophobicContact CB-CZ 4.47Å; M806-F847 HydrophobicContact CG-CD1 4.31Å; M806-F847 HydrophobicContact CG-CE1 3.93Å; M806-F847 HydrophobicContact CG-CZ 4.31Å; M806-F847 CarbonylContact O-C 3.51Å; M806-F847 WeakPolarHBondContact O-CA 3.37Å; M806-S848 PolarHBondContact O-N 3.47Å; M806-D915 WeakPolarHBondContact CA-OD1 3.43Å; M806-D915 WeakPolarHBondContact CE-OD1 3.4Å
807K91.9Very high83.8Confident56 Ų5652.2 Ų52.224%0.24328%0.28CS..EExtended strand (participates in β ladder)trans-108.5118.4-178.3-66-66.9-173.4176.60110.9I805 S848 Q911 S913 D915I805-K807 HydrophobicContact CG2-CD 4.15Å; I805-K807 HydrophobicContact CG2-CG 4.21Å; K807-S848 WeakPolarHBondContact CA-O 3.47Å; K807-S848 PolarHBondContact NZ-OG 2.75Å; K807-S848 VanDerWaalsContact NZ-OG 3.14Å; K807-Q911 PolarHBondContact NZ-O 2.66Å; K807-S913 WeakPolarHBondContact CE-O 3.43Å; K807-D915 HydrophobicContact CB-CB 4.05Å; K807-D915 HydrophobicContact CG-CB 4.45Å; K807-D915 PolarHBondContact N-OD1 3.32Å
808S89.3Confident86.4Confident5 Ų547.9 Ų47.94%0.03525%0.25CS..EExtended strand (participates in β ladder)trans-97.9148.6171.4-174.70000111.2S810 N813 S848 V849 Q850S808-S810 PolarHBondContact OG-N 2.91Å; S808-S810 VanDerWaalsContact OG-N 3.12Å; S808-S810 PolarHBondContact OG-O 3.09Å; S808-N813 WeakPolarHBondContact OG-CB 3.44Å; S808-N813 PolarHBondContact OG-ND2 2.98Å; S808-S848 PolarHBondContact N-O 2.96Å; S808-V849 CarbonylContact O-C 3.48Å; S808-V849 WeakPolarHBondContact O-CA 3.32Å; S808-Q850 PolarHBondContact O-N 3.22Å
809N86.6Confident88.6Confident75 Ų7548.4 Ų48.440%0.40124%0.243SC..SBendtrans-87.3-7.1168.861.84.7000113.3N813 F875N809-N813 PolarHBondContact OD1-ND2 3.4Å; N809-F875 WeakPolarHBondContact ND2-CE1 3.41Å; N809-F875 WeakPolarHBondContact ND2-CE2 3.42Å; N809-F875 WeakPolarHBondContact ND2-CZ 3.34Å
810S85.2Confident90.3Very high38 Ų3850.4 Ų50.427%0.26624%0.243SC..  trans-143141.1-173.8176.80000111.7S808 R812S808-S810 PolarHBondContact OG-N 2.91Å; S808-S810 VanDerWaalsContact OG-N 3.12Å; S808-S810 PolarHBondContact OG-O 3.09Å; S810-R812 PolarHBondContact OG-N 2.83Å
811I87.6Confident90.9Very high74 Ų7448.4 Ų48.438%0.37923%0.234SC..Hα-helixtrans-70.7-34.4173.9-171.261.7000112.1N813 I814 E815 V849 Q856I811-N813 PolarHBondContact O-N 3.17Å; I811-N813 VanDerWaalsContact O-N 3.09Å; I811-I814 HydrophobicContact CD1-CB 4.29Å; I811-I814 HydrophobicContact CD1-CG1 4.35Å; I811-I814 WeakPolarHBondContact O-CA 3.43Å; I811-I814 WeakPolarHBondContact O-CB 3.32Å; I811-I814 PolarHBondContact O-N 3.09Å; I811-E815 PolarHBondContact O-N 2.92Å; I811-E815 VanDerWaalsContact O-N 3.13Å; I811-V849 HydrophobicContact CD1-CG2 4.05Å; I811-Q856 HydrophobicContact CD1-CG 4.14Å
812R87.3Confident91Very high165 Ų16547.4 Ų47.462%0.62323%0.226SC*.Hα-helixtrans-56.3-29.7177.5-175.1177.1171.7-179-3.3113S810 E815 I816S810-R812 PolarHBondContact OG-N 2.83Å; R812-E815 WeakPolarHBondContact CA-OE2 3.35Å; R812-E815 PolarHBondContact O-N 2.92Å; R812-I816 HydrophobicContact CG-CD1 3.99Å; R812-I816 HydrophobicContact CG-CG1 4.47Å; R812-I816 WeakPolarHBondContact O-CB 3.17Å; R812-I816 VanDerWaalsContact O-CG1 3.24Å; R812-I816 WeakPolarHBondContact O-CG1 3.36Å; R812-I816 PolarHBondContact O-N 3.46Å
813N88.9Confident90.9Very high14 Ų1444.9 Ų44.98%0.07522%0.217CC..Hα-helixtrans-66.6-41.9174.9-61.83000110.7S808 N809 I811 E815 I816 S817 W823 W873S808-N813 WeakPolarHBondContact OG-CB 3.44Å; S808-N813 PolarHBondContact OG-ND2 2.98Å; N809-N813 PolarHBondContact OD1-ND2 3.4Å; I811-N813 PolarHBondContact O-N 3.17Å; I811-N813 VanDerWaalsContact O-N 3.09Å; N813-E815 VanDerWaalsContact C-N 3.35Å; N813-I816 PolarHBondContact O-N 3.01Å; N813-S817 WeakPolarHBondContact O-CB 3.49Å; N813-S817 PolarHBondContact O-N 2.86Å; N813-W823 HydrophobicContact CB-CH2 4.05Å; N813-W823 HydrophobicContact CB-CZ3 4.17Å; N813-W873 HydrophobicContact CB-CE3 3.88Å; N813-W873 HydrophobicContact CB-CZ3 3.74Å; N813-W873 WeakPolarHBondContact O-CZ3 3.24Å
814I91.1Very high90.5Very high4 Ų444 Ų442%0.02121%0.214CC..Hα-helixtrans-64.1-43.4176-53.2-55.1000110.2I811 S817 Q818 W823 F847 V849 Q856 W886I811-I814 HydrophobicContact CD1-CB 4.29Å; I811-I814 HydrophobicContact CD1-CG1 4.35Å; I811-I814 WeakPolarHBondContact O-CA 3.43Å; I811-I814 WeakPolarHBondContact O-CB 3.32Å; I811-I814 PolarHBondContact O-N 3.09Å; I814-S817 WeakPolarHBondContact O-CB 3.5Å; I814-S817 PolarHBondContact O-N 2.73Å; I814-Q818 HydrophobicContact CG2-CG 4.28Å; I814-Q818 WeakPolarHBondContact O-CB 3.38Å; I814-Q818 WeakPolarHBondContact O-CG 3.37Å; I814-Q818 PolarHBondContact O-N 3.37Å; I814-W823 HydrophobicContact CD1-CH2 3.86Å; I814-W823 HydrophobicContact CD1-CZ3 3.97Å; I814-F847 HydrophobicContact CD1-CB 3.9Å; I814-F847 HydrophobicContact CD1-CD1 3.98Å; I814-F847 HydrophobicContact CD1-CG 4.22Å; I814-V849 HydrophobicContact CD1-CG2 4.46Å; I814-V849 HydrophobicContact CG1-CG2 3.74Å; I814-Q856 HydrophobicContact CG1-CB 4.28Å; I814-Q856 HydrophobicContact CG1-CG 4.46Å; I814-Q856 HydrophobicContact CG2-CB 4.07Å; I814-W886 HydrophobicContact CG2-CH2 3.65Å; I814-W886 HydrophobicContact CG2-CZ2 4.07Å; I814-W886 HydrophobicContact CG2-CZ3 4.41Å
815E90.3Very high90Very high89 Ų8944 Ų4442%0.41621%0.214SC..Hα-helixtrans-59.3-48.6176-64159.3-166.100111.9I811 R812 N813 S817 Q818 Q819I811-E815 PolarHBondContact O-N 2.92Å; I811-E815 VanDerWaalsContact O-N 3.13Å; R812-E815 WeakPolarHBondContact CA-OE2 3.35Å; R812-E815 PolarHBondContact O-N 2.92Å; N813-E815 VanDerWaalsContact C-N 3.35Å; E815-S817 VanDerWaalsContact C-N 3.29Å; E815-S817 PolarHBondContact O-N 3.31Å; E815-Q818 PolarHBondContact O-N 3.09Å; E815-Q819 WeakPolarHBondContact O-CB 3.38Å; E815-Q819 VanDerWaalsContact O-CG 3.28Å; E815-Q819 WeakPolarHBondContact O-CG 3.49Å; E815-Q819 PolarHBondContact O-N 2.81Å
816I88.5Confident89.5Confident17 Ų1746.2 Ų46.29%0.08723%0.227CC..Hα-helixtrans-59.3-41.1175.3-70.5165.4000110.8R812 N813 Q819 K820 D872 W873R812-I816 HydrophobicContact CG-CD1 3.99Å; R812-I816 HydrophobicContact CG-CG1 4.47Å; R812-I816 WeakPolarHBondContact O-CB 3.17Å; R812-I816 VanDerWaalsContact O-CG1 3.24Å; R812-I816 WeakPolarHBondContact O-CG1 3.36Å; R812-I816 PolarHBondContact O-N 3.46Å; N813-I816 PolarHBondContact O-N 3.01Å; I816-Q819 PolarHBondContact O-N 2.94Å; I816-K820 HydrophobicContact CG2-CD 4.27Å; I816-K820 WeakPolarHBondContact O-CB 3.5Å; I816-K820 PolarHBondContact O-N 2.86Å; I816-D872 HydrophobicContact CD1-CB 4.46Å; I816-W873 HydrophobicContact CB-CH2 4.46Å; I816-W873 HydrophobicContact CB-CZ3 4.35Å; I816-W873 HydrophobicContact CG2-CH2 4Å; I816-W873 HydrophobicContact CG2-CZ2 4.22Å; I816-W873 HydrophobicContact CG2-CZ3 4.22Å
817S93.3Very high88.9Confident0 Ų049.8 Ų49.80%025%0.25CS..Hα-helixtrans-65.1-44.7176.7-166.70000112.4N813 I814 E815 Q819 G821 I822 V884 W886N813-S817 WeakPolarHBondContact O-CB 3.49Å; N813-S817 PolarHBondContact O-N 2.86Å; I814-S817 WeakPolarHBondContact O-CB 3.5Å; I814-S817 PolarHBondContact O-N 2.73Å; E815-S817 VanDerWaalsContact C-N 3.29Å; E815-S817 PolarHBondContact O-N 3.31Å; S817-Q819 PolarHBondContact O-N 2.84Å; S817-G821 WeakPolarHBondContact O-CA 3.32Å; S817-G821 PolarHBondContact O-N 3.25Å; S817-I822 WeakPolarHBondContact CA-O 3.38Å; S817-I822 VanDerWaalsContact CB-O 3.31Å; S817-I822 WeakPolarHBondContact CB-O 3.14Å; S817-I822 PolarHBondContact OG-O 3.49Å; S817-V884 WeakPolarHBondContact OG-CG2 3.43Å; S817-W886 PolarHBondContact O-NE1 3.3Å; S817-W886 PolarHBondContact OG-NE1 3.43Å
818Q91.4Very high88.4Confident47 Ų4751 Ų5122%0.2227%0.266CS..Hα-helixtrans-68.9-19.2-179.8-74.7-176.45.700113.4I814 E815 W886 K889I814-Q818 HydrophobicContact CG2-CG 4.28Å; I814-Q818 WeakPolarHBondContact O-CB 3.38Å; I814-Q818 WeakPolarHBondContact O-CG 3.37Å; I814-Q818 PolarHBondContact O-N 3.37Å; E815-Q818 PolarHBondContact O-N 3.09Å; Q818-W886 HydrophobicContact CG-CD2 3.48Å; Q818-W886 VanDerWaalsContact CG-CD2 3.48Å; Q818-W886 HydrophobicContact CG-CE3 3.81Å; Q818-W886 HydrophobicContact CG-CG 3.9Å; Q818-W886 HydrophobicContact CG-CH2 4.17Å; Q818-W886 HydrophobicContact CG-CZ2 3.89Å; Q818-W886 HydrophobicContact CG-CZ3 4.14Å; Q818-K889 HydrophobicContact CB-CD 4.25Å; Q818-K889 HydrophobicContact CG-CD 4.09Å; Q818-K889 HydrophobicContact CG-CG 4.18Å; Q818-K889 PolarHBondContact NE2-O 3.1Å; Q818-K889 PolarHBondContact O-NZ 3.47Å
819Q89.8Confident88.3Confident156 Ų15651.1 Ų51.173%0.72927%0.266SS*.Hα-helixtrans-91.6-48.2173.9-70.9172.810.900112.8E815 I816 S817E815-Q819 WeakPolarHBondContact O-CB 3.38Å; E815-Q819 VanDerWaalsContact O-CG 3.28Å; E815-Q819 WeakPolarHBondContact O-CG 3.49Å; E815-Q819 PolarHBondContact O-N 2.81Å; I816-Q819 PolarHBondContact O-N 2.94Å; S817-Q819 PolarHBondContact O-N 2.84Å
820K89.5Confident88.3Confident109 Ų10949.3 Ų49.347%0.47426%0.255SS..Hα-helixtrans-93.6-8.3-172.3-62.4-165.1179.7-1680114.6I816 I822 D872I816-K820 HydrophobicContact CG2-CD 4.27Å; I816-K820 WeakPolarHBondContact O-CB 3.5Å; I816-K820 PolarHBondContact O-N 2.86Å; K820-I822 VanDerWaalsContact C-N 3.32Å; K820-I822 HydrophobicContact CB-CD1 4.18Å; K820-I822 HydrophobicContact CB-CG1 3.73Å; K820-I822 HydrophobicContact CD-CD1 4.49Å; K820-I822 PolarHBondContact O-N 2.95Å; K820-D872 IonicContact NZ-OD1 2.73Å; K820-D872 IonicContact NZ-OD2 3.48Å; K820-D872 PolarHBondContact NZ-OD2 3.32Å
821G91.8Very high88.3Confident27 Ų2751.4 Ų51.428%0.27827%0.266SS..SBendtrans66.730.3178.900000113.9S817 S883 V884S817-G821 WeakPolarHBondContact O-CA 3.32Å; S817-G821 PolarHBondContact O-N 3.25Å; G821-S883 CarbonylContact O-C 3.59Å; G821-S883 WeakPolarHBondContact O-CA 3.31Å; G821-V884 CarbonylContact C-O 3.47Å; G821-V884 WeakPolarHBondContact CA-O 3.46Å; G821-V884 PolarHBondContact O-N 2.73Å
822I91.9Very high88.2Confident32 Ų3252.8 Ų52.816%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-137155.9-176.354.1163.7000112.5S817 K820 C870 W873 V881 F882S817-I822 WeakPolarHBondContact CA-O 3.38Å; S817-I822 VanDerWaalsContact CB-O 3.31Å; S817-I822 WeakPolarHBondContact CB-O 3.14Å; S817-I822 PolarHBondContact OG-O 3.49Å; K820-I822 VanDerWaalsContact C-N 3.32Å; K820-I822 HydrophobicContact CB-CD1 4.18Å; K820-I822 HydrophobicContact CB-CG1 3.73Å; K820-I822 HydrophobicContact CD-CD1 4.49Å; K820-I822 PolarHBondContact O-N 2.95Å; I822-C870 HydrophobicContact CD1-CB 4.45Å; I822-W873 HydrophobicContact CD1-CZ2 4.3Å; I822-W873 HydrophobicContact CG1-CZ2 4.2Å; I822-V881 HydrophobicContact CB-CG1 3.81Å; I822-V881 HydrophobicContact CD1-CG1 4.04Å; I822-V881 HydrophobicContact CG2-CG1 3.95Å; I822-F882 CarbonylContact C-O 3.53Å; I822-F882 VanDerWaalsContact CA-O 3.31Å; I822-F882 WeakPolarHBondContact CA-O 3.36Å
823W92.3Very high88.3Confident12 Ų1245.1 Ų45.15%0.04524%0.241CC..EExtended strand (participates in β ladder)trans-139.6161.9170.3-166.2-106.1000110.8N813 I814 F847 W873 V881 F882 V884N813-W823 HydrophobicContact CB-CH2 4.05Å; N813-W823 HydrophobicContact CB-CZ3 4.17Å; I814-W823 HydrophobicContact CD1-CH2 3.86Å; I814-W823 HydrophobicContact CD1-CZ3 3.97Å; W823-F847 HydrophobicContact CD2-CD1 4.38Å; W823-F847 AromaticContact CD2-CE1 3.56Å; W823-F847 HydrophobicContact CD2-CE1 3.56Å; W823-F847 HydrophobicContact CD2-CZ 4.39Å; W823-F847 AromaticContact CE2-CE1 3.7Å; W823-F847 HydrophobicContact CE3-CD1 4.41Å; W823-F847 AromaticContact CE3-CE1 3.84Å; W823-F847 HydrophobicContact CE3-CE1 3.84Å; W823-F847 AromaticContact CG-CE1 3.97Å; W823-F847 HydrophobicContact CG-CE1 3.97Å; W823-F847 HydrophobicContact CG-CZ 4.44Å; W823-F847 HydrophobicContact CH2-CD1 4.27Å; W823-F847 HydrophobicContact CH2-CE1 4.38Å; W823-F847 HydrophobicContact CZ2-CD1 4.22Å; W823-F847 HydrophobicContact CZ2-CE1 4.13Å; W823-F847 HydrophobicContact CZ3-CD1 4.35Å; W823-F847 HydrophobicContact CZ3-CE1 4.23Å; W823-W873 AromaticContact CE3-CH2 3.71Å; W823-W873 HydrophobicContact CE3-CH2 3.71Å; W823-W873 AromaticContact CE3-CZ3 3.91Å; W823-W873 HydrophobicContact CE3-CZ3 3.91Å; W823-W873 HydrophobicContact CH2-CZ3 4.43Å; W823-W873 AromaticContact CZ3-CH2 3.96Å; W823-W873 HydrophobicContact CZ3-CH2 3.96Å; W823-W873 AromaticContact CZ3-CZ3 3.69Å; W823-W873 HydrophobicContact CZ3-CZ3 3.69Å; W823-V881 WeakPolarHBondContact O-CA 3.41Å; W823-F882 HydrophobicContact CB-CE1 4.33Å; W823-F882 HydrophobicContact CB-CE2 4.01Å; W823-F882 HydrophobicContact CB-CZ 3.89Å; W823-F882 AromaticContact CD1-CZ 3.68Å; W823-F882 HydrophobicContact CG-CZ 4.18Å; W823-F882 PolarHBondContact N-O 3.46Å; W823-F882 PolarHBondContact O-N 3.37Å; W823-V884 HydrophobicContact CB-CG1 3.97Å; W823-V884 HydrophobicContact CB-CG2 4.26Å
824S88Confident88.2Confident3 Ų346 Ų462%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-140.5149.4168.31710000108.9G879 G880S824-G879 PolarHBondContact OG-N 3.47Å; S824-G879 PolarHBondContact OG-O 2.93Å; S824-G880 PolarHBondContact OG-O 3.42Å
825T86Confident87.9Confident2 Ų251.8 Ų51.81%0.01227%0.274CS..  trans-133.4-175.6-171.4-169.80000111.2M806 N829 E830 L833 G879 F882M806-T825 VanDerWaalsContact CE-OG1 3.26Å; M806-T825 WeakPolarHBondContact CE-OG1 3.28Å; T825-N829 HydrophobicContact CG2-CB 3.91Å; T825-N829 WeakPolarHBondContact OG1-CB 3.41Å; T825-N829 PolarHBondContact OG1-ND2 3.41Å; T825-E830 HydrophobicContact CG2-CG 3.72Å; T825-L833 HydrophobicContact CG2-CD1 4.26Å; T825-G879 PolarHBondContact O-N 3.43Å; T825-F882 HydrophobicContact CG2-CE1 4.11Å
826T84.7Confident87.6Confident46 Ų4647.6 Ų47.628%0.28225%0.254SS..  trans-76.3143.5171.658.90000110.6S828 N829 E830T826-S828 PolarHBondContact O-N 3Å; T826-S828 PolarHBondContact OG1-OG 3.37Å; T826-S828 VanDerWaalsContact OG1-OG 3.13Å; T826-N829 WeakPolarHBondContact O-CB 3.33Å; T826-N829 PolarHBondContact O-N 3.47Å; T826-N829 PolarHBondContact OG1-ND2 3.49Å; T826-N829 VanDerWaalsContact OG1-ND2 3.14Å; T826-E830 PolarHBondContact O-N 2.65Å
827P81.3Confident87.5Confident74 Ų7449.5 Ų49.548%0.48126%0.262SS..Hα-helixtrans-53.7-27.9-179.3-31.737.3000115.5N829 E830P827-N829 PolarHBondContact O-N 2.9Å; P827-E830 PolarHBondContact O-N 2.88Å
828S81.3Confident87.1Confident82 Ų8255.2 Ų55.257%0.57329%0.292SS*.Hα-helixtrans-64-19.3173.441.10000115.1T826T826-S828 PolarHBondContact O-N 3Å; T826-S828 PolarHBondContact OG1-OG 3.37Å; T826-S828 VanDerWaalsContact OG1-OG 3.13Å
829N86.8Confident86.8Confident8 Ų856 Ų564%0.04331%0.307CS..Hα-helixtrans-99.3-31.5179.9-65.5-18.3000111.8T825 T826 P827 T831 K832 L833 D915 G916T825-N829 HydrophobicContact CG2-CB 3.91Å; T825-N829 WeakPolarHBondContact OG1-CB 3.41Å; T825-N829 PolarHBondContact OG1-ND2 3.41Å; T826-N829 WeakPolarHBondContact O-CB 3.33Å; T826-N829 PolarHBondContact O-N 3.47Å; T826-N829 PolarHBondContact OG1-ND2 3.49Å; T826-N829 VanDerWaalsContact OG1-ND2 3.14Å; P827-N829 PolarHBondContact O-N 2.9Å; N829-T831 VanDerWaalsContact C-N 3.32Å; N829-T831 PolarHBondContact O-N 2.98Å; N829-K832 PolarHBondContact O-N 3.12Å; N829-K832 VanDerWaalsContact O-N 3.09Å; N829-L833 WeakPolarHBondContact O-CG 3.32Å; N829-L833 PolarHBondContact O-N 2.99Å; N829-D915 PolarHBondContact ND2-OD2 3.11Å; N829-G916 WeakPolarHBondContact ND2-CA 3.38Å
830E87.8Confident86.1Confident36 Ų3655.1 Ų55.117%0.16831%0.307CS..Hα-helixtrans-53.9-44.5-179.2-63.6175.4-17400112.9T825 T826 P827 K832 L833 T834 V865 G879 G880T825-E830 HydrophobicContact CG2-CG 3.72Å; T826-E830 PolarHBondContact O-N 2.65Å; P827-E830 PolarHBondContact O-N 2.88Å; E830-K832 VanDerWaalsContact C-N 3.34Å; E830-K832 PolarHBondContact O-N 3.25Å; E830-L833 PolarHBondContact O-N 2.78Å; E830-T834 WeakPolarHBondContact O-CB 3.45Å; E830-T834 PolarHBondContact O-N 3.3Å; E830-T834 PolarHBondContact O-OG1 3.13Å; E830-V865 HydrophobicContact CB-CB 4.5Å; E830-V865 HydrophobicContact CB-CG1 4.23Å; E830-V865 HydrophobicContact CB-CG2 4.13Å; E830-V865 HydrophobicContact CG-CG1 3.92Å; E830-V865 HydrophobicContact CG-CG2 4.29Å; E830-G879 WeakPolarHBondContact OE1-CA 3.38Å; E830-G880 PolarHBondContact OE1-N 3.08Å
831T84.1Confident85.6Confident82 Ų8250.4 Ų50.450%0.50329%0.288SS..Hα-helixtrans-60.5-43178.6-47.30000111.6N829 Q835N829-T831 VanDerWaalsContact C-N 3.32Å; N829-T831 PolarHBondContact O-N 2.98Å; T831-Q835 VanDerWaalsContact O-CB 3.27Å; T831-Q835 WeakPolarHBondContact O-CB 3.26Å; T831-Q835 WeakPolarHBondContact O-CG 3.36Å; T831-Q835 PolarHBondContact O-N 2.96Å
832K86.8Confident85.5Confident104 Ų10453 Ų5345%0.45229%0.292SS..Hα-helixtrans-69.2-45.5-178.7-59.7178.6-174.4172.30111.6N829 E830 G836N829-K832 PolarHBondContact O-N 3.12Å; N829-K832 VanDerWaalsContact O-N 3.09Å; E830-K832 VanDerWaalsContact C-N 3.34Å; E830-K832 PolarHBondContact O-N 3.25Å; K832-G836 PolarHBondContact O-N 3.33Å
833L88.4Confident85.6Confident4 Ų451.6 Ų51.62%0.02128%0.284CS..Hα-helixtrans-65.3-44.5178.9-67.1178.9000111F804 T825 N829 E830 G836 F837 I843 L845 M861 F882F804-L833 HydrophobicContact CB-CD2 4.36Å; F804-L833 HydrophobicContact CD1-CD2 4.18Å; F804-L833 HydrophobicContact CD2-CD2 3.66Å; F804-L833 HydrophobicContact CE1-CD2 4.41Å; F804-L833 HydrophobicContact CE2-CD2 3.91Å; F804-L833 HydrophobicContact CG-CD2 3.81Å; F804-L833 HydrophobicContact CZ-CD2 4.29Å; T825-L833 HydrophobicContact CG2-CD1 4.26Å; N829-L833 WeakPolarHBondContact O-CG 3.32Å; N829-L833 PolarHBondContact O-N 2.99Å; E830-L833 PolarHBondContact O-N 2.78Å; L833-G836 PolarHBondContact O-N 3.28Å; L833-F837 WeakPolarHBondContact O-CB 3.5Å; L833-F837 PolarHBondContact O-N 3.38Å; L833-I843 HydrophobicContact CD2-CD1 4.4Å; L833-I843 HydrophobicContact CD2-CG2 4.2Å; L833-I843 WeakPolarHBondContact O-CD1 3.45Å; L833-L845 HydrophobicContact CD2-CD2 3.87Å; L833-M861 HydrophobicContact CB-CE 4Å; L833-M861 HydrophobicContact CB-SD 3.93Å; L833-F882 HydrophobicContact CD1-CE1 4.29Å; L833-F882 HydrophobicContact CD1-CZ 4.03Å
834T87.3Confident85.8Confident33 Ų3351.3 Ų51.320%0.20228%0.284CS..Hα-helixtrans-65.1-43.7177.6-55.60000111.8E830 F837 L838 V864 V865E830-T834 WeakPolarHBondContact O-CB 3.45Å; E830-T834 PolarHBondContact O-N 3.3Å; E830-T834 PolarHBondContact O-OG1 3.13Å; T834-F837 PolarHBondContact O-N 3.12Å; T834-L838 HydrophobicContact CG2-CD1 3.89Å; T834-L838 HydrophobicContact CG2-CG 4.38Å; T834-L838 WeakPolarHBondContact O-CB 3.21Å; T834-L838 VanDerWaalsContact O-CG 3.29Å; T834-L838 WeakPolarHBondContact O-CG 3.41Å; T834-L838 PolarHBondContact O-N 3.4Å; T834-V864 HydrophobicContact CG2-CB 4.22Å; T834-V864 HydrophobicContact CG2-CG1 4.13Å; T834-V865 WeakPolarHBondContact OG1-CG2 3.47Å
835Q84.9Confident86.2Confident125 Ų12551.2 Ų51.258%0.58428%0.283SS*.Hα-helixtrans-63-40.9174.7-76.7174.5-8.500112.3T831 A839T831-Q835 VanDerWaalsContact O-CB 3.27Å; T831-Q835 WeakPolarHBondContact O-CB 3.26Å; T831-Q835 WeakPolarHBondContact O-CG 3.36Å; T831-Q835 PolarHBondContact O-N 2.96Å; Q835-A839 VanDerWaalsContact O-CB 3.31Å; Q835-A839 WeakPolarHBondContact O-CB 3.27Å; Q835-A839 PolarHBondContact O-N 3.37Å
836G83.9Confident86.7Confident0 Ų051.1 Ų51.10%028%0.282CS..Hα-helixtrans-64-43.6175.400000112.7K832 L833 A839 S841K832-G836 PolarHBondContact O-N 3.33Å; L833-G836 PolarHBondContact O-N 3.28Å; G836-A839 PolarHBondContact O-N 3.26Å; G836-S841 VanDerWaalsContact O-CB 3.29Å; G836-S841 WeakPolarHBondContact O-CB 3.36Å; G836-S841 PolarHBondContact O-N 2.91Å
837F86.1Confident87.3Confident58 Ų5848.9 Ų48.925%0.25427%0.269SS..Hα-helixtrans-64.3-46.4178.3-169.4-88.7000111.5L833 T834 A839 N840 I843 M861 T862 V864L833-F837 WeakPolarHBondContact O-CB 3.5Å; L833-F837 PolarHBondContact O-N 3.38Å; T834-F837 PolarHBondContact O-N 3.12Å; F837-A839 PolarHBondContact O-N 2.77Å; F837-N840 PolarHBondContact O-N 2.91Å; F837-N840 VanDerWaalsContact O-N 3.1Å; F837-I843 HydrophobicContact CB-CD1 4.17Å; F837-M861 HydrophobicContact CB-CE 4.37Å; F837-M861 HydrophobicContact CD2-CG 4.03Å; F837-M861 HydrophobicContact CD2-SD 4.45Å; F837-M861 HydrophobicContact CE2-CG 4.44Å; F837-M861 WeakPolarHBondContact CE2-O 3.26Å; F837-T862 WeakPolarHBondContact CZ-O 3.39Å; F837-V864 HydrophobicContact CD1-CG1 3.56Å; F837-V864 HydrophobicContact CE1-CG1 4.08Å; F837-V864 HydrophobicContact CG-CG1 4.38Å
838L86Confident88Confident120 Ų12045.4 Ų45.463%0.62825%0.246SC*.Hα-helixtrans-67.1-22.6177.1-69.1174.5000113.5T834 N840 V864T834-L838 HydrophobicContact CG2-CD1 3.89Å; T834-L838 HydrophobicContact CG2-CG 4.38Å; T834-L838 WeakPolarHBondContact O-CB 3.21Å; T834-L838 VanDerWaalsContact O-CG 3.29Å; T834-L838 WeakPolarHBondContact O-CG 3.41Å; T834-L838 PolarHBondContact O-N 3.4Å; L838-N840 PolarHBondContact O-N 2.89Å; L838-V864 HydrophobicContact CD2-CG1 3.95Å; L838-V864 HydrophobicContact CG-CG1 4.12Å
839A84.5Confident88.5Confident64 Ų6442.2 Ų42.253%0.52922%0.223SC..THydrogen-bonded Turntrans-77.310.8171.900000113.7Q835 G836 F837 S841Q835-A839 VanDerWaalsContact O-CB 3.31Å; Q835-A839 WeakPolarHBondContact O-CB 3.27Å; Q835-A839 PolarHBondContact O-N 3.37Å; G836-A839 PolarHBondContact O-N 3.26Å; F837-A839 PolarHBondContact O-N 2.77Å; A839-S841 PolarHBondContact O-N 3.15Å
840N75.1Confident88.5Confident136 Ų13649.3 Ų49.373%0.72726%0.256SS*.THydrogen-bonded Turntrans56.625.3-172.5-61.2-57.5000113.9S799 F837 L838S799-N840 WeakPolarHBondContact CB-O 3.37Å; F837-N840 PolarHBondContact O-N 2.91Å; F837-N840 VanDerWaalsContact O-N 3.1Å; L838-N840 PolarHBondContact O-N 2.89Å
841S79.8Confident88.2Confident11 Ų1151.7 Ų51.78%0.07729%0.29CS..  trans-79.6139.4171.1-64.60000111S800 R802 G836 A839 I843S800-S841 CarbonylContact O-C 3.38Å; S800-S841 WeakPolarHBondContact O-CA 2.82Å; S800-S841 VanDerWaalsContact O-CB 3.26Å; S800-S841 WeakPolarHBondContact O-CB 2.78Å; S800-S841 PolarHBondContact OG-OG 3.49Å; R802-S841 WeakPolarHBondContact CD-OG 3.27Å; G836-S841 VanDerWaalsContact O-CB 3.29Å; G836-S841 WeakPolarHBondContact O-CB 3.36Å; G836-S841 PolarHBondContact O-N 2.91Å; A839-S841 PolarHBondContact O-N 3.15Å; S841-I843 PolarHBondContact O-N 3.03Å
842F89.4Confident88.3Confident81 Ų8149.8 Ų49.836%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-81.1101.8177-158-90.1000109.1S800 V801 R802 I844 R860S800-F842 PolarHBondContact O-N 3.39Å; V801-F842 WeakPolarHBondContact CA-O 3.5Å; V801-F842 HydrophobicContact CG1-CD1 4.47Å; V801-F842 WeakPolarHBondContact CG1-O 3.43Å; V801-F842 HydrophobicContact CG2-CB 4.24Å; R802-F842 PolarHBondContact N-O 3.3Å; F842-I844 HydrophobicContact CD1-CD1 4.08Å; F842-I844 HydrophobicContact CD1-CG1 4.41Å; F842-I844 HydrophobicContact CE1-CD1 3.93Å; F842-R860 HydrophobicContact CE1-CG 4.45Å
843I94.1Very high88.4Confident2 Ų246.3 Ų46.31%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-87.4121.4-175.4-69.6-180000111.2R802 F804 L833 F837 S841 L845 R860 M861R802-I843 WeakPolarHBondContact O-CA 3.48Å; F804-I843 HydrophobicContact CD2-CG2 4.11Å; F804-I843 HydrophobicContact CE2-CD1 4.43Å; F804-I843 HydrophobicContact CE2-CG1 4.36Å; F804-I843 HydrophobicContact CE2-CG2 4.4Å; L833-I843 HydrophobicContact CD2-CD1 4.4Å; L833-I843 HydrophobicContact CD2-CG2 4.2Å; L833-I843 WeakPolarHBondContact O-CD1 3.45Å; F837-I843 HydrophobicContact CB-CD1 4.17Å; S841-I843 PolarHBondContact O-N 3.03Å; I843-L845 HydrophobicContact CG2-CD2 3.62Å; I843-L845 HydrophobicContact CG2-CG 4.05Å; I843-R860 WeakPolarHBondContact O-CA 3.38Å; I843-M861 HydrophobicContact CB-CB 3.96Å; I843-M861 HydrophobicContact CB-SD 4.47Å; I843-M861 HydrophobicContact CD1-SD 4Å; I843-M861 HydrophobicContact CG2-CB 3.75Å; I843-M861 HydrophobicContact CG2-SD 4.06Å; I843-M861 PolarHBondContact O-N 3.13Å
844I95.8Very high88.6Confident7 Ų749 Ų494%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-104.8132.8167.8-60.8-58.7000109.7V801 R802 Y803 F804 F842 I846 Y858 R860 I887 L928V801-I844 HydrophobicContact CG1-CG1 4.18Å; R802-I844 PolarHBondContact O-N 3.11Å; Y803-I844 WeakPolarHBondContact CA-O 3.34Å; Y803-I844 HydrophobicContact CD1-CB 3.75Å; Y803-I844 HydrophobicContact CD1-CG1 4.25Å; Y803-I844 HydrophobicContact CD1-CG2 3.93Å; Y803-I844 HydrophobicContact CE1-CB 4.11Å; Y803-I844 HydrophobicContact CE1-CG1 4.1Å; Y803-I844 HydrophobicContact CE1-CG2 4.31Å; F804-I844 PolarHBondContact N-O 2.91Å; F842-I844 HydrophobicContact CD1-CD1 4.08Å; F842-I844 HydrophobicContact CD1-CG1 4.41Å; F842-I844 HydrophobicContact CE1-CD1 3.93Å; I844-I846 HydrophobicContact CG2-CG1 4.1Å; I844-Y858 HydrophobicContact CG2-CD2 4.01Å; I844-R860 HydrophobicContact CD1-CB 4.32Å; I844-I887 HydrophobicContact CD1-CD1 3.9Å; I844-L928 HydrophobicContact CG2-CD1 4.18Å; I844-L928 HydrophobicContact CG2-CD2 4.31Å
845L96.6Very high89.1Confident0 Ų047.5 Ų47.50%028%0.277CS..EExtended strand (participates in β ladder)trans-113.9119.8177.7-57.3-177000109F804 M806 L833 I843 F847 Y858 A859 M861 F882 V884F804-L845 HydrophobicContact CB-CD2 3.87Å; F804-L845 HydrophobicContact CD2-CD2 4.35Å; F804-L845 HydrophobicContact CG-CD2 4.49Å; F804-L845 WeakPolarHBondContact O-CA 3.42Å; M806-L845 HydrophobicContact CG-CB 3.94Å; M806-L845 HydrophobicContact CG-CD1 4.43Å; M806-L845 HydrophobicContact CG-CD2 4.17Å; M806-L845 HydrophobicContact CG-CG 4.41Å; M806-L845 HydrophobicContact SD-CD2 4.17Å; L833-L845 HydrophobicContact CD2-CD2 3.87Å; I843-L845 HydrophobicContact CG2-CD2 3.62Å; I843-L845 HydrophobicContact CG2-CG 4.05Å; L845-F847 HydrophobicContact CB-CE2 3.69Å; L845-F847 HydrophobicContact CB-CZ 3.71Å; L845-F847 HydrophobicContact CD1-CZ 4.26Å; L845-F847 WeakPolarHBondContact O-CD2 3.38Å; L845-F847 VanDerWaalsContact O-CE2 3.24Å; L845-F847 WeakPolarHBondContact O-CE2 3.26Å; L845-Y858 CarbonylContact O-C 3.59Å; L845-Y858 WeakPolarHBondContact O-CA 3.4Å; L845-Y858 WeakPolarHBondContact O-CB 3.37Å; L845-A859 PolarHBondContact N-O 3.48Å; L845-A859 PolarHBondContact O-N 3.24Å; L845-M861 HydrophobicContact CD1-CB 4.35Å; L845-F882 HydrophobicContact CD1-CE2 3.47Å; L845-F882 VanDerWaalsContact CD1-CE2 3.47Å; L845-F882 HydrophobicContact CD1-CZ 3.78Å; L845-V884 HydrophobicContact CD1-CG1 4.02Å
846I97.1Very high89.5Confident0 Ų042.9 Ų42.90%026%0.255CS..EExtended strand (participates in β ladder)trans-106.8115.8-177.1-50.6176.1000107.9Y803 F804 I805 M806 I844 F855 L919 L927 L928 W931Y803-I846 HydrophobicContact CD1-CD1 4.44Å; F804-I846 PolarHBondContact O-N 2.98Å; I805-I846 HydrophobicContact CD1-CB 3.84Å; I805-I846 HydrophobicContact CD1-CD1 4.28Å; I805-I846 HydrophobicContact CD1-CG2 4.2Å; M806-I846 PolarHBondContact N-O 2.99Å; I844-I846 HydrophobicContact CG2-CG1 4.1Å; I846-F855 HydrophobicContact CG2-CD1 3.78Å; I846-F855 HydrophobicContact CG2-CE1 4.34Å; I846-F855 HydrophobicContact CG2-CG 4.35Å; I846-L919 HydrophobicContact CD1-CD1 4.19Å; I846-L927 HydrophobicContact CD1-CD2 3.79Å; I846-L927 HydrophobicContact CD1-CG 4.28Å; I846-L927 HydrophobicContact CG2-CD2 4.3Å; I846-L928 HydrophobicContact CD1-CD1 3.57Å; I846-L928 HydrophobicContact CG1-CD1 4.06Å; I846-W931 HydrophobicContact CG2-CH2 3.8Å; I846-W931 HydrophobicContact CG2-CZ3 4.28Å
847F96.4Very high90Very high0 Ų042.9 Ų42.90%026%0.255CS..EExtended strand (participates in β ladder)trans-93.3148.3-168.8-64.5-91.4000111.8M806 I814 W823 L845 F855 Q856 G857 A859 W886M806-F847 HydrophobicContact CB-CD1 3.6Å; M806-F847 HydrophobicContact CB-CE1 3.68Å; M806-F847 HydrophobicContact CB-CG 4.33Å; M806-F847 HydrophobicContact CB-CZ 4.47Å; M806-F847 HydrophobicContact CG-CD1 4.31Å; M806-F847 HydrophobicContact CG-CE1 3.93Å; M806-F847 HydrophobicContact CG-CZ 4.31Å; M806-F847 CarbonylContact O-C 3.51Å; M806-F847 WeakPolarHBondContact O-CA 3.37Å; I814-F847 HydrophobicContact CD1-CB 3.9Å; I814-F847 HydrophobicContact CD1-CD1 3.98Å; I814-F847 HydrophobicContact CD1-CG 4.22Å; W823-F847 HydrophobicContact CD2-CD1 4.38Å; W823-F847 AromaticContact CD2-CE1 3.56Å; W823-F847 HydrophobicContact CD2-CE1 3.56Å; W823-F847 HydrophobicContact CD2-CZ 4.39Å; W823-F847 AromaticContact CE2-CE1 3.7Å; W823-F847 HydrophobicContact CE3-CD1 4.41Å; W823-F847 AromaticContact CE3-CE1 3.84Å; W823-F847 HydrophobicContact CE3-CE1 3.84Å; W823-F847 AromaticContact CG-CE1 3.97Å; W823-F847 HydrophobicContact CG-CE1 3.97Å; W823-F847 HydrophobicContact CG-CZ 4.44Å; W823-F847 HydrophobicContact CH2-CD1 4.27Å; W823-F847 HydrophobicContact CH2-CE1 4.38Å; W823-F847 HydrophobicContact CZ2-CD1 4.22Å; W823-F847 HydrophobicContact CZ2-CE1 4.13Å; W823-F847 HydrophobicContact CZ3-CD1 4.35Å; W823-F847 HydrophobicContact CZ3-CE1 4.23Å; L845-F847 HydrophobicContact CB-CE2 3.69Å; L845-F847 HydrophobicContact CB-CZ 3.71Å; L845-F847 HydrophobicContact CD1-CZ 4.26Å; L845-F847 WeakPolarHBondContact O-CD2 3.38Å; L845-F847 VanDerWaalsContact O-CE2 3.24Å; L845-F847 WeakPolarHBondContact O-CE2 3.26Å; F847-F855 CarbonylContact O-C 3.58Å; F847-F855 WeakPolarHBondContact O-CA 3.27Å; F847-F855 WeakPolarHBondContact O-CB 3.31Å; F847-Q856 PolarHBondContact O-N 2.92Å; F847-G857 PolarHBondContact N-O 3.39Å; F847-A859 HydrophobicContact CE2-CB 3.75Å; F847-A859 HydrophobicContact CZ-CB 4.47Å; F847-W886 HydrophobicContact CB-CH2 3.88Å; F847-W886 HydrophobicContact CD1-CH2 4.25Å; F847-W886 HydrophobicContact CD1-CZ2 4.36Å; F847-W886 AromaticContact CD2-CH2 3.22Å; F847-W886 HydrophobicContact CD2-CH2 3.22Å; F847-W886 AromaticContact CD2-CZ2 3.71Å; F847-W886 HydrophobicContact CD2-CZ2 3.71Å; F847-W886 AromaticContact CD2-CZ3 3.77Å; F847-W886 HydrophobicContact CD2-CZ3 3.77Å; F847-W886 HydrophobicContact CE1-CZ2 4.43Å; F847-W886 AromaticContact CE2-CH2 3.79Å; F847-W886 HydrophobicContact CE2-CH2 3.79Å; F847-W886 AromaticContact CE2-CZ2 3.79Å; F847-W886 HydrophobicContact CE2-CZ2 3.79Å; F847-W886 HydrophobicContact CE2-CZ3 4.35Å; F847-W886 AromaticContact CG-CH2 3.5Å; F847-W886 HydrophobicContact CG-CH2 3.5Å; F847-W886 HydrophobicContact CG-CZ2 4.01Å; F847-W886 HydrophobicContact CG-CZ3 4.36Å; F847-W886 HydrophobicContact CZ-CH2 4.5Å; F847-W886 HydrophobicContact CZ-CZ2 4.17Å
848S95.3Very high90.5Very high1 Ų140.8 Ų40.81%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-153.7137.9174.4171.90000110.3M806 K807 S808 H854 F894M806-S848 PolarHBondContact O-N 3.47Å; K807-S848 WeakPolarHBondContact CA-O 3.47Å; K807-S848 PolarHBondContact NZ-OG 2.75Å; K807-S848 VanDerWaalsContact NZ-OG 3.14Å; S808-S848 PolarHBondContact N-O 2.96Å; S848-H854 WeakPolarHBondContact CB-O 3.47Å; S848-H854 PolarHBondContact OG-O 2.81Å; S848-F894 WeakPolarHBondContact OG-CZ 3.49Å
849V92.6Very high91Very high15 Ų1535 Ų359%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-95.5133-179.6173.20000109.7S808 I811 I814 G851 S852 Q856S808-V849 CarbonylContact O-C 3.48Å; S808-V849 WeakPolarHBondContact O-CA 3.32Å; I811-V849 HydrophobicContact CD1-CG2 4.05Å; I814-V849 HydrophobicContact CD1-CG2 4.46Å; I814-V849 HydrophobicContact CG1-CG2 3.74Å; V849-G851 PolarHBondContact O-N 3.08Å; V849-S852 VanDerWaalsContact O-CB 3.31Å; V849-S852 WeakPolarHBondContact O-CB 3.38Å; V849-S852 PolarHBondContact O-N 3.35Å; V849-S852 PolarHBondContact O-OG 2.77Å; V849-Q856 HydrophobicContact CB-CG 4.34Å; V849-Q856 HydrophobicContact CG2-CG 3.79Å
850Q85.8Confident91.5Very high157 Ų15735.9 Ų35.973%0.73421%0.205SC*.THydrogen-bonded Turntrans-58.2122.7-179.1-173.5175.61.500110.9S808 S852S808-Q850 PolarHBondContact O-N 3.22Å; Q850-S852 VanDerWaalsContact C-N 3.3Å; Q850-S852 PolarHBondContact O-N 2.6Å
851G81.8Confident92.4Very high86 Ų8629.6 Ų29.689%0.88717%0.171SC*.THydrogen-bonded Turntrans80.7-3-178.200000115.8V849 G853V849-G851 PolarHBondContact O-N 3.08Å; G851-G853 PolarHBondContact O-N 2.68Å
852S87.4Confident93Very high42 Ų4231.9 Ų31.929%0.29419%0.185SC..SBendtrans-70.1-26.4177.963.30000114.4V849 Q850 H854V849-S852 VanDerWaalsContact O-CB 3.31Å; V849-S852 WeakPolarHBondContact O-CB 3.38Å; V849-S852 PolarHBondContact O-N 3.35Å; V849-S852 PolarHBondContact O-OG 2.77Å; Q850-S852 VanDerWaalsContact C-N 3.3Å; Q850-S852 PolarHBondContact O-N 2.6Å; S852-H854 PolarHBondContact O-N 3.48Å; S852-H854 PolarHBondContact O-ND1 3.42Å; S852-H854 PolarHBondContact OG-N 3.46Å; S852-H854 PolarHBondContact OG-O 2.78Å
853G88.7Confident93Very high30 Ų3029.6 Ų29.631%0.30918%0.179SC..SBendtrans71.413.1-170.200000114.4G851 F894G851-G853 PolarHBondContact O-N 2.68Å; G853-F894 VanDerWaalsContact C-CG 3.47Å; G853-F894 VanDerWaalsContact O-CB 3.27Å; G853-F894 WeakPolarHBondContact O-CB 3.21Å; G853-F894 WeakPolarHBondContact O-CG 3.41Å; G853-F894 PolarHBondContact O-N 2.65Å
854H92.9Very high92.7Very high62 Ų6232.2 Ų32.229%0.28720%0.195SC..EExtended strand (participates in β ladder)trans-137.9157.6-172.3-67.176.3000112.1S848 S852 L892 P893 F894S848-H854 WeakPolarHBondContact CB-O 3.47Å; S848-H854 PolarHBondContact OG-O 2.81Å; S852-H854 PolarHBondContact O-N 3.48Å; S852-H854 PolarHBondContact O-ND1 3.42Å; S852-H854 PolarHBondContact OG-N 3.46Å; S852-H854 PolarHBondContact OG-O 2.78Å; H854-L892 WeakPolarHBondContact CA-O 3.44Å; H854-P893 VanDerWaalsContact CD2-CA 3.44Å; H854-P893 WeakPolarHBondContact CD2-CA 3.23Å; H854-F894 VanDerWaalsContact O-CE1 3.27Å; H854-F894 WeakPolarHBondContact O-CE1 3.42Å
855F96.3Very high92.3Very high0 Ų033.1 Ų33.10%020%0.201CC..EExtended strand (participates in β ladder)trans-93.1132.9157.1-65.5-83.4000108.7I805 I846 F847 G857 S891 L892 F894 T897 V910 Q911 L927 W931I805-F855 HydrophobicContact CD1-CE1 3.91Å; I846-F855 HydrophobicContact CG2-CD1 3.78Å; I846-F855 HydrophobicContact CG2-CE1 4.34Å; I846-F855 HydrophobicContact CG2-CG 4.35Å; F847-F855 CarbonylContact O-C 3.58Å; F847-F855 WeakPolarHBondContact O-CA 3.27Å; F847-F855 WeakPolarHBondContact O-CB 3.31Å; F855-G857 VanDerWaalsContact C-N 3.34Å; F855-G857 PolarHBondContact O-N 2.92Å; F855-S891 CarbonylContact O-C 3.49Å; F855-S891 WeakPolarHBondContact O-CA 3.24Å; F855-L892 PolarHBondContact N-O 3.31Å; F855-L892 PolarHBondContact O-N 2.92Å; F855-F894 HydrophobicContact CD1-CE1 4.27Å; F855-F894 AromaticContact CD2-CD1 3.62Å; F855-F894 HydrophobicContact CD2-CD1 3.62Å; F855-F894 AromaticContact CD2-CE1 3.58Å; F855-F894 HydrophobicContact CD2-CE1 3.58Å; F855-F894 HydrophobicContact CE1-CE1 4.25Å; F855-F894 AromaticContact CE2-CD1 3.58Å; F855-F894 HydrophobicContact CE2-CD1 3.58Å; F855-F894 AromaticContact CE2-CE1 3.56Å; F855-F894 HydrophobicContact CE2-CE1 3.56Å; F855-F894 HydrophobicContact CG-CD1 4.4Å; F855-F894 AromaticContact CG-CE1 3.95Å; F855-F894 HydrophobicContact CG-CE1 3.95Å; F855-F894 HydrophobicContact CZ-CD1 4.34Å; F855-F894 AromaticContact CZ-CE1 3.92Å; F855-F894 HydrophobicContact CZ-CE1 3.92Å; F855-T897 HydrophobicContact CD2-CG2 4.05Å; F855-T897 HydrophobicContact CE2-CG2 3.88Å; F855-V910 HydrophobicContact CE2-CG2 4.5Å; F855-V910 HydrophobicContact CZ-CG2 4.26Å; F855-Q911 HydrophobicContact CZ-CB 4.49Å; F855-L927 HydrophobicContact CD2-CD1 4.26Å; F855-L927 HydrophobicContact CE1-CD2 4.35Å; F855-L927 HydrophobicContact CE2-CD1 4.01Å; F855-L927 HydrophobicContact CE2-CD2 4.44Å; F855-L927 HydrophobicContact CZ-CD1 4.49Å; F855-L927 HydrophobicContact CZ-CD2 4.11Å; F855-W931 HydrophobicContact CB-CH2 3.51Å; F855-W931 HydrophobicContact CB-CZ2 3.62Å; F855-W931 HydrophobicContact CG-CH2 4.16Å
856Q94.8Very high91.5Very high29 Ų2935.2 Ų35.214%0.13622%0.215CC..EExtended strand (participates in β ladder)trans-9742.2-172.5-55.1-5395.100112.5I811 I814 F847 V849 W886I811-Q856 HydrophobicContact CD1-CG 4.14Å; I814-Q856 HydrophobicContact CG1-CB 4.28Å; I814-Q856 HydrophobicContact CG1-CG 4.46Å; I814-Q856 HydrophobicContact CG2-CB 4.07Å; F847-Q856 PolarHBondContact O-N 2.92Å; V849-Q856 HydrophobicContact CB-CG 4.34Å; V849-Q856 HydrophobicContact CG2-CG 3.79Å; Q856-W886 VanDerWaalsContact O-CZ3 3.26Å; Q856-W886 WeakPolarHBondContact O-CZ3 3.29Å
857G94.4Very high90.3Very high0 Ų045.1 Ų45.10%026%0.262CS..EExtended strand (participates in β ladder)trans82.3-171.8-174.300000114.5F847 F855 H888 E890F847-G857 PolarHBondContact N-O 3.39Å; F855-G857 VanDerWaalsContact C-N 3.34Å; F855-G857 PolarHBondContact O-N 2.92Å; G857-H888 CarbonylContact C-O 3.48Å; G857-H888 WeakPolarHBondContact CA-O 3.38Å; G857-E890 WeakPolarHBondContact CA-O 3.47Å; G857-E890 PolarHBondContact N-O 3.11Å
858Y96.4Very high89.1Confident13 Ų1352.3 Ų52.35%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-146.9153.2-177.765.7-91.6000113.2I844 L845 I887 H888 L928 W931I844-Y858 HydrophobicContact CG2-CD2 4.01Å; L845-Y858 CarbonylContact O-C 3.59Å; L845-Y858 WeakPolarHBondContact O-CA 3.4Å; L845-Y858 WeakPolarHBondContact O-CB 3.37Å; Y858-I887 HydrophobicContact CD2-CB 4.03Å; Y858-I887 HydrophobicContact CD2-CD1 4.35Å; Y858-I887 HydrophobicContact CD2-CG2 4.46Å; Y858-I887 HydrophobicContact CE2-CB 3.65Å; Y858-I887 HydrophobicContact CE2-CD1 4.08Å; Y858-I887 HydrophobicContact CE2-CG1 4.45Å; Y858-I887 HydrophobicContact CE2-CG2 3.59Å; Y858-I887 PolarHBondContact O-N 3.02Å; Y858-H888 HydrophobicContact CD1-CB 3.75Å; Y858-H888 HydrophobicContact CE1-CB 3.41Å; Y858-H888 VanDerWaalsContact CE1-CB 3.41Å; Y858-H888 HydrophobicContact CG-CB 4.44Å; Y858-H888 PolarHBondContact N-O 2.82Å; Y858-H888 PolarHBondContact O-N 3.27Å; Y858-H888 VanDerWaalsContact O-N 3.12Å; Y858-L928 HydrophobicContact CD1-CD1 4.49Å; Y858-L928 HydrophobicContact CD1-CG 4.1Å; Y858-L928 HydrophobicContact CD2-CD2 3.99Å; Y858-L928 HydrophobicContact CD2-CG 4.16Å; Y858-L928 HydrophobicContact CE1-CD2 4.38Å; Y858-L928 HydrophobicContact CE1-CG 3.83Å; Y858-L928 HydrophobicContact CE2-CD2 3.54Å; Y858-L928 HydrophobicContact CE2-CG 3.89Å; Y858-L928 HydrophobicContact CG-CD1 4.44Å; Y858-L928 HydrophobicContact CG-CG 4.27Å; Y858-W931 HydrophobicContact CD1-CD2 4.06Å; Y858-W931 AromaticContact CD1-CE3 3.89Å; Y858-W931 HydrophobicContact CD1-CE3 3.89Å; Y858-W931 HydrophobicContact CD1-CH2 4.4Å; Y858-W931 HydrophobicContact CD1-CZ3 4.07Å; Y858-W931 HydrophobicContact CE1-CB 4.38Å; Y858-W931 HydrophobicContact CE1-CD2 4.05Å; Y858-W931 AromaticContact CE1-CE3 3.96Å; Y858-W931 HydrophobicContact CE1-CE3 3.96Å; Y858-W931 HydrophobicContact CE1-CG 4.28Å
859A96.2Very high87.9Confident0 Ų056.3 Ų56.30%032%0.324CS..EExtended strand (participates in β ladder)trans-135.2155-177.500000112.2L845 F847 V884 E885 W886L845-A859 PolarHBondContact N-O 3.48Å; L845-A859 PolarHBondContact O-N 3.24Å; F847-A859 HydrophobicContact CE2-CB 3.75Å; F847-A859 HydrophobicContact CZ-CB 4.47Å; A859-V884 HydrophobicContact CB-CB 4.05Å; A859-E885 CarbonylContact C-O 3.11Å; A859-E885 VanDerWaalsContact CA-O 3.22Å; A859-E885 WeakPolarHBondContact CA-O 3.47Å; A859-E885 WeakPolarHBondContact CB-O 3.42Å; A859-W886 HydrophobicContact CB-CB 4.45Å; A859-W886 HydrophobicContact CB-CD2 3.93Å; A859-W886 HydrophobicContact CB-CE3 4.34Å; A859-W886 HydrophobicContact CB-CG 3.99Å
860R94.9Very high86.7Confident81 Ų8157.2 Ų57.231%0.30633%0.33SS..EExtended strand (participates in β ladder)trans-84.9136.5166.6169.6166.875.5170.2-1.4110F842 I843 I844 T862 V884 E885 I887F842-R860 HydrophobicContact CE1-CG 4.45Å; I843-R860 WeakPolarHBondContact O-CA 3.38Å; I844-R860 HydrophobicContact CD1-CB 4.32Å; R860-T862 HydrophobicContact CG-CG2 4.03Å; R860-V884 CarbonylContact O-C 3.57Å; R860-V884 VanDerWaalsContact O-CA 3.25Å; R860-V884 WeakPolarHBondContact O-CA 3.27Å; R860-E885 HydrophobicContact CB-CB 4.44Å; R860-E885 IonicContact CZ-OE2 3.98Å; R860-E885 PolarHBondContact N-O 3.43Å; R860-E885 IonicContact NE-OE2 3.05Å; R860-E885 PolarHBondContact NE-OE2 3.18Å; R860-E885 IonicContact NH2-OE1 3.26Å; R860-E885 PolarHBondContact NH2-OE1 2.99Å; R860-E885 IonicContact NH2-OE2 3.76Å; R860-E885 PolarHBondContact NH2-OE2 3.3Å; R860-E885 PolarHBondContact O-N 3.29Å; R860-I887 HydrophobicContact CB-CD1 4.05Å
861M94.2Very high85.5Confident4 Ų458.6 Ų58.62%0.0234%0.336CS..EExtended strand (participates in β ladder)trans-75.7130166.6-178.1172.117700109.4L833 F837 I843 L845 S863 V865 F882L833-M861 HydrophobicContact CB-CE 4Å; L833-M861 HydrophobicContact CB-SD 3.93Å; F837-M861 HydrophobicContact CB-CE 4.37Å; F837-M861 HydrophobicContact CD2-CG 4.03Å; F837-M861 HydrophobicContact CD2-SD 4.45Å; F837-M861 HydrophobicContact CE2-CG 4.44Å; F837-M861 WeakPolarHBondContact CE2-O 3.26Å; I843-M861 HydrophobicContact CB-CB 3.96Å; I843-M861 HydrophobicContact CB-SD 4.47Å; I843-M861 HydrophobicContact CD1-SD 4Å; I843-M861 HydrophobicContact CG2-CB 3.75Å; I843-M861 HydrophobicContact CG2-SD 4.06Å; I843-M861 PolarHBondContact O-N 3.13Å; L845-M861 HydrophobicContact CD1-CB 4.35Å; M861-S863 WeakPolarHBondContact CE-O 3.46Å; M861-S863 WeakPolarHBondContact CG-O 3.38Å; M861-V865 HydrophobicContact CE-CG2 4.27Å; M861-F882 HydrophobicContact CE-CB 4.42Å; M861-F882 HydrophobicContact CE-CD2 4.11Å; M861-F882 HydrophobicContact CE-CG 4.21Å; M861-F882 HydrophobicContact CG-CD2 3.83Å; M861-F882 HydrophobicContact CG-CE2 4.08Å; M861-F882 HydrophobicContact SD-CD2 4.22Å; M861-F882 HydrophobicContact SD-CE2 4.2Å
862T91.2Very high84.8Confident59 Ų5958.3 Ų58.336%0.36232%0.315SS..  trans-121.5-7.4-173.253.10000114.9F837 R860 S883 E885F837-T862 WeakPolarHBondContact CZ-O 3.39Å; R860-T862 HydrophobicContact CG-CG2 4.03Å; T862-S883 PolarHBondContact N-O 2.99Å; T862-S883 WeakPolarHBondContact OG1-CB 3.34Å; T862-S883 PolarHBondContact OG1-O 3.23Å; T862-E885 HydrophobicContact CG2-CB 3.72Å; T862-E885 WeakPolarHBondContact CG2-OE2 3.25Å
863S90.3Very high83.9Confident34 Ų3456.8 Ų56.824%0.23830%0.302CS..SBendtrans-136.3163.9168.579.60000111.4M861 S883M861-S863 WeakPolarHBondContact CE-O 3.46Å; M861-S863 WeakPolarHBondContact CG-O 3.38Å; S863-S883 PolarHBondContact OG-N 3.32Å
864V87.8Confident82.3Confident57 Ų5758.8 Ų58.835%0.34532%0.323SS..PPolyproline II helixtrans-65.5165.3160.8-66.20000111.3T834 F837 L838 S866 F882T834-V864 HydrophobicContact CG2-CB 4.22Å; T834-V864 HydrophobicContact CG2-CG1 4.13Å; F837-V864 HydrophobicContact CD1-CG1 3.56Å; F837-V864 HydrophobicContact CE1-CG1 4.08Å; F837-V864 HydrophobicContact CG-CG1 4.38Å; L838-V864 HydrophobicContact CD2-CG1 3.95Å; L838-V864 HydrophobicContact CG-CG1 4.12Å; V864-S866 PolarHBondContact O-N 2.92Å; V864-F882 WeakPolarHBondContact O-CB 3.42Å
865V86.4Confident80.4Confident25 Ų2562 Ų6215%0.15234%0.336CS..PPolyproline II helixtrans-69.7124.2173.2-175.50000110.2E830 T834 M861 F882E830-V865 HydrophobicContact CB-CB 4.5Å; E830-V865 HydrophobicContact CB-CG1 4.23Å; E830-V865 HydrophobicContact CB-CG2 4.13Å; E830-V865 HydrophobicContact CG-CG1 3.92Å; E830-V865 HydrophobicContact CG-CG2 4.29Å; T834-V865 WeakPolarHBondContact OG1-CG2 3.47Å; M861-V865 HydrophobicContact CE-CG2 4.27Å; V865-F882 HydrophobicContact CG2-CB 4.39Å; V865-F882 HydrophobicContact CG2-CD1 3.86Å; V865-F882 HydrophobicContact CG2-CG 4.37Å
866S81.7Confident78.3Confident44 Ų4471.2 Ų71.231%0.30838%0.382SS..PPolyproline II helixtrans-83.4168.9175.172.70000111.9V864 E868 G880 V881V864-S866 PolarHBondContact O-N 2.92Å; S866-E868 VanDerWaalsContact C-N 3.25Å; S866-E868 PolarHBondContact OG-N 2.87Å; S866-G880 WeakPolarHBondContact O-CA 3.42Å; S866-V881 WeakPolarHBondContact CB-O 3.38Å; S866-V881 PolarHBondContact N-O 3.1Å; S866-V881 PolarHBondContact OG-O 2.96Å
867Q70.9Confident76.6Confident208 Ų20872.7 Ų72.797%0.97241%0.405SS*.SBendtrans-84.21.7171.2-64.9-177.5-600113
868E71.3Confident75.4Confident151 Ų15175.6 Ų75.671%0.70642%0.42SS*.  trans-89.5135.2-177.7-62.4-177.2-179.200111.2S866 V881S866-E868 VanDerWaalsContact C-N 3.25Å; S866-E868 PolarHBondContact OG-N 2.87Å; E868-V881 WeakPolarHBondContact O-CG2 3.09Å; E868-V881 PolarHBondContact O-N 3.4Å
869S69.4Low74.2Confident86 Ų8675.9 Ų75.960%0.60143%0.427SS*.  trans-104.8122.7173.762.30000110.6
870C67.8Low73.5Confident33 Ų3376.3 Ų76.322%0.22343%0.431CS..  trans-78.9133.3174.7168.70000110.7I822 D872 W873 V881I822-C870 HydrophobicContact CD1-CB 4.45Å; C870-D872 PolarHBondContact SG-OD2 3.28Å; C870-W873 VanDerWaalsContact O-CD1 3.32Å; C870-V881 HydrophobicContact CB-CG2 3.59Å
871Q61.5Low73.1Confident186 Ų18673.1 Ų73.187%0.86942%0.421SS*.G310 helixtrans-83.9-13.7-174.1-61.4-178.24.400113.5W873Q871-W873 VanDerWaalsContact C-N 3.26Å; Q871-W873 PolarHBondContact O-N 2.83Å
872D65.8Low72.9Confident80 Ų8073 Ų7343%0.42842%0.421SS..G310 helixtrans-68.1-20-176.6-61.3-65.8000114.3I816 K820 C870 G874I816-D872 HydrophobicContact CD1-CB 4.46Å; K820-D872 IonicContact NZ-OD1 2.73Å; K820-D872 IonicContact NZ-OD2 3.48Å; K820-D872 PolarHBondContact NZ-OD2 3.32Å; C870-D872 PolarHBondContact SG-OD2 3.28Å; D872-G874 PolarHBondContact O-N 3.48Å
873W68.4Low72.9Confident10 Ų1072.5 Ų72.54%0.03842%0.419CS..G310 helixtrans-73.7-6.8-171-59.8108.7000114.7N813 I816 I822 W823 C870 Q871 F875 L878N813-W873 HydrophobicContact CB-CE3 3.88Å; N813-W873 HydrophobicContact CB-CZ3 3.74Å; N813-W873 WeakPolarHBondContact O-CZ3 3.24Å; I816-W873 HydrophobicContact CB-CH2 4.46Å; I816-W873 HydrophobicContact CB-CZ3 4.35Å; I816-W873 HydrophobicContact CG2-CH2 4Å; I816-W873 HydrophobicContact CG2-CZ2 4.22Å; I816-W873 HydrophobicContact CG2-CZ3 4.22Å; I822-W873 HydrophobicContact CD1-CZ2 4.3Å; I822-W873 HydrophobicContact CG1-CZ2 4.2Å; W823-W873 AromaticContact CE3-CH2 3.71Å; W823-W873 HydrophobicContact CE3-CH2 3.71Å; W823-W873 AromaticContact CE3-CZ3 3.91Å; W823-W873 HydrophobicContact CE3-CZ3 3.91Å; W823-W873 HydrophobicContact CH2-CZ3 4.43Å; W823-W873 AromaticContact CZ3-CH2 3.96Å; W823-W873 HydrophobicContact CZ3-CH2 3.96Å; W823-W873 AromaticContact CZ3-CZ3 3.69Å; W823-W873 HydrophobicContact CZ3-CZ3 3.69Å; C870-W873 VanDerWaalsContact O-CD1 3.32Å; Q871-W873 VanDerWaalsContact C-N 3.26Å; Q871-W873 PolarHBondContact O-N 2.83Å; W873-F875 PolarHBondContact O-N 3.03Å; W873-L878 HydrophobicContact CB-CD1 3.98Å; W873-L878 HydrophobicContact CG-CD1 4.31Å
874G54.8Low73.2Confident72 Ų7271.1 Ų71.174%0.74241%0.409SS*.  trans65.44.8170.400000116.7D872D872-G874 PolarHBondContact O-N 3.48Å
875F53.7Low73.5Confident129 Ų12972.6 Ų72.657%0.56641%0.412SS*.  trans-127.7132.9-177.8-97.3-93000111.5N809 W873N809-F875 WeakPolarHBondContact ND2-CE1 3.41Å; N809-F875 WeakPolarHBondContact ND2-CE2 3.42Å; N809-F875 WeakPolarHBondContact ND2-CZ 3.34Å; W873-F875 PolarHBondContact O-N 3.03Å
876M52.6Low73.9Confident194 Ų19472.9 Ų72.996%0.95641%0.411SS*.THydrogen-bonded Turntrans-81.8130.3166-58.3-174.580.500109.3
877G58.3Low74.5Confident61 Ų6174.8 Ų74.863%0.62942%0.417SS*.THydrogen-bonded Turntrans117.5-3176.300000116.1
878L69.4Low75.5Confident61 Ų6166.7 Ų66.732%0.31938%0.379SS..  trans-79148.1158.3-63177.5000109.3W873W873-L878 HydrophobicContact CB-CD1 3.98Å; W873-L878 HydrophobicContact CG-CD1 4.31Å
879G71.1Confident76.5Confident19 Ų1964.7 Ų64.720%0.19637%0.368CS..  trans-103.8-132.6-179.800000113.3S824 T825 E830S824-G879 PolarHBondContact OG-N 3.47Å; S824-G879 PolarHBondContact OG-O 2.93Å; T825-G879 PolarHBondContact O-N 3.43Å; E830-G879 WeakPolarHBondContact OE1-CA 3.38Å
880G81.4Confident77.4Confident8 Ų864.7 Ų64.78%0.08236%0.358CS..  trans-64.9144.4-169.900000114.3S824 E830 S866S824-G880 PolarHBondContact OG-O 3.42Å; E830-G880 PolarHBondContact OE1-N 3.08Å; S866-G880 WeakPolarHBondContact O-CA 3.42Å
881V86.7Confident78.5Confident15 Ų1565.9 Ų65.99%0.09137%0.367CS..EExtended strand (participates in β ladder)trans-86.7142.4176.2177.30000110.9I822 W823 S866 E868 C870I822-V881 HydrophobicContact CB-CG1 3.81Å; I822-V881 HydrophobicContact CD1-CG1 4.04Å; I822-V881 HydrophobicContact CG2-CG1 3.95Å; W823-V881 WeakPolarHBondContact O-CA 3.41Å; S866-V881 WeakPolarHBondContact CB-O 3.38Å; S866-V881 PolarHBondContact N-O 3.1Å; S866-V881 PolarHBondContact OG-O 2.96Å; E868-V881 WeakPolarHBondContact O-CG2 3.09Å; E868-V881 PolarHBondContact O-N 3.4Å; C870-V881 HydrophobicContact CB-CG2 3.59Å
882F91.4Very high80Confident2 Ų257.1 Ų57.11%0.00933%0.326CS..EExtended strand (participates in β ladder)trans-137.4156.1170.359.5-88000111.7I822 W823 T825 L833 L845 M861 V864 V865 V884I822-F882 CarbonylContact C-O 3.53Å; I822-F882 VanDerWaalsContact CA-O 3.31Å; I822-F882 WeakPolarHBondContact CA-O 3.36Å; W823-F882 HydrophobicContact CB-CE1 4.33Å; W823-F882 HydrophobicContact CB-CE2 4.01Å; W823-F882 HydrophobicContact CB-CZ 3.89Å; W823-F882 AromaticContact CD1-CZ 3.68Å; W823-F882 HydrophobicContact CG-CZ 4.18Å; W823-F882 PolarHBondContact N-O 3.46Å; W823-F882 PolarHBondContact O-N 3.37Å; T825-F882 HydrophobicContact CG2-CE1 4.11Å; L833-F882 HydrophobicContact CD1-CE1 4.29Å; L833-F882 HydrophobicContact CD1-CZ 4.03Å; L845-F882 HydrophobicContact CD1-CE2 3.47Å; L845-F882 VanDerWaalsContact CD1-CE2 3.47Å; L845-F882 HydrophobicContact CD1-CZ 3.78Å; M861-F882 HydrophobicContact CE-CB 4.42Å; M861-F882 HydrophobicContact CE-CD2 4.11Å; M861-F882 HydrophobicContact CE-CG 4.21Å; M861-F882 HydrophobicContact CG-CD2 3.83Å; M861-F882 HydrophobicContact CG-CE2 4.08Å; M861-F882 HydrophobicContact SD-CD2 4.22Å; M861-F882 HydrophobicContact SD-CE2 4.2Å; V864-F882 WeakPolarHBondContact O-CB 3.42Å; V865-F882 HydrophobicContact CG2-CB 4.39Å; V865-F882 HydrophobicContact CG2-CD1 3.86Å; V865-F882 HydrophobicContact CG2-CG 4.37Å; F882-V884 HydrophobicContact CD2-CG1 3.71Å; F882-V884 HydrophobicContact CE2-CG1 3.42Å; F882-V884 VanDerWaalsContact CE2-CG1 3.42Å
883S91.1Very high81.2Confident47 Ų4754.7 Ų54.733%0.32932%0.315SS..EExtended strand (participates in β ladder)trans-77.2139.3179.1-590000112.1G821 T862 S863G821-S883 CarbonylContact O-C 3.59Å; G821-S883 WeakPolarHBondContact O-CA 3.31Å; T862-S883 PolarHBondContact N-O 2.99Å; T862-S883 WeakPolarHBondContact OG1-CB 3.34Å; T862-S883 PolarHBondContact OG1-O 3.23Å; S863-S883 PolarHBondContact OG-N 3.32Å
884V94.9Very high82.3Confident5 Ų556 Ų563%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-134.8137.5175.1-61.80000111.7S817 G821 W823 L845 A859 R860 F882S817-V884 WeakPolarHBondContact OG-CG2 3.43Å; G821-V884 CarbonylContact C-O 3.47Å; G821-V884 WeakPolarHBondContact CA-O 3.46Å; G821-V884 PolarHBondContact O-N 2.73Å; W823-V884 HydrophobicContact CB-CG1 3.97Å; W823-V884 HydrophobicContact CB-CG2 4.26Å; L845-V884 HydrophobicContact CD1-CG1 4.02Å; A859-V884 HydrophobicContact CB-CB 4.05Å; R860-V884 CarbonylContact O-C 3.57Å; R860-V884 VanDerWaalsContact O-CA 3.25Å; R860-V884 WeakPolarHBondContact O-CA 3.27Å; F882-V884 HydrophobicContact CD2-CG1 3.71Å; F882-V884 HydrophobicContact CE2-CG1 3.42Å; F882-V884 VanDerWaalsContact CE2-CG1 3.42Å
885E95.6Very high83.9Confident89 Ų8956.5 Ų56.542%0.41631%0.311SS..EExtended strand (participates in β ladder)trans-109.1107179179.4-175.5-17600109A859 R860 T862 I887A859-E885 CarbonylContact C-O 3.11Å; A859-E885 VanDerWaalsContact CA-O 3.22Å; A859-E885 WeakPolarHBondContact CA-O 3.47Å; A859-E885 WeakPolarHBondContact CB-O 3.42Å; R860-E885 HydrophobicContact CB-CB 4.44Å; R860-E885 IonicContact CZ-OE2 3.98Å; R860-E885 PolarHBondContact N-O 3.43Å; R860-E885 IonicContact NE-OE2 3.05Å; R860-E885 PolarHBondContact NE-OE2 3.18Å; R860-E885 IonicContact NH2-OE1 3.26Å; R860-E885 PolarHBondContact NH2-OE1 2.99Å; R860-E885 IonicContact NH2-OE2 3.76Å; R860-E885 PolarHBondContact NH2-OE2 3.3Å; R860-E885 PolarHBondContact O-N 3.29Å; T862-E885 HydrophobicContact CG2-CB 3.72Å; T862-E885 WeakPolarHBondContact CG2-OE2 3.25Å; E885-I887 PolarHBondContact O-N 2.85Å
886W94.6Very high85.4Confident30 Ų3055.7 Ų55.711%0.11431%0.307CS..EExtended strand (participates in β ladder)trans-72.2112.8-176.1-79.685000111.6I814 S817 Q818 F847 Q856 A859 K889I814-W886 HydrophobicContact CG2-CH2 3.65Å; I814-W886 HydrophobicContact CG2-CZ2 4.07Å; I814-W886 HydrophobicContact CG2-CZ3 4.41Å; S817-W886 PolarHBondContact O-NE1 3.3Å; S817-W886 PolarHBondContact OG-NE1 3.43Å; Q818-W886 HydrophobicContact CG-CD2 3.48Å; Q818-W886 VanDerWaalsContact CG-CD2 3.48Å; Q818-W886 HydrophobicContact CG-CE3 3.81Å; Q818-W886 HydrophobicContact CG-CG 3.9Å; Q818-W886 HydrophobicContact CG-CH2 4.17Å; Q818-W886 HydrophobicContact CG-CZ2 3.89Å; Q818-W886 HydrophobicContact CG-CZ3 4.14Å; F847-W886 HydrophobicContact CB-CH2 3.88Å; F847-W886 HydrophobicContact CD1-CH2 4.25Å; F847-W886 HydrophobicContact CD1-CZ2 4.36Å; F847-W886 AromaticContact CD2-CH2 3.22Å; F847-W886 HydrophobicContact CD2-CH2 3.22Å; F847-W886 AromaticContact CD2-CZ2 3.71Å; F847-W886 HydrophobicContact CD2-CZ2 3.71Å; F847-W886 AromaticContact CD2-CZ3 3.77Å; F847-W886 HydrophobicContact CD2-CZ3 3.77Å; F847-W886 HydrophobicContact CE1-CZ2 4.43Å; F847-W886 AromaticContact CE2-CH2 3.79Å; F847-W886 HydrophobicContact CE2-CH2 3.79Å; F847-W886 AromaticContact CE2-CZ2 3.79Å; F847-W886 HydrophobicContact CE2-CZ2 3.79Å; F847-W886 HydrophobicContact CE2-CZ3 4.35Å; F847-W886 AromaticContact CG-CH2 3.5Å; F847-W886 HydrophobicContact CG-CH2 3.5Å; F847-W886 HydrophobicContact CG-CZ2 4.01Å; F847-W886 HydrophobicContact CG-CZ3 4.36Å; F847-W886 HydrophobicContact CZ-CH2 4.5Å; F847-W886 HydrophobicContact CZ-CZ2 4.17Å; Q856-W886 VanDerWaalsContact O-CZ3 3.26Å; Q856-W886 WeakPolarHBondContact O-CZ3 3.29Å; A859-W886 HydrophobicContact CB-CB 4.45Å; A859-W886 HydrophobicContact CB-CD2 3.93Å; A859-W886 HydrophobicContact CB-CE3 4.34Å; A859-W886 HydrophobicContact CB-CG 3.99Å; W886-K889 HydrophobicContact CB-CD 4.46Å; W886-K889 HydrophobicContact CB-CG 4.1Å; W886-K889 HydrophobicContact CE3-CG 4.3Å
887I93.8Very high87.2Confident85 Ų8546.4 Ų46.444%0.43626%0.262SS..EExtended strand (participates in β ladder)trans-85.4-43.6-179.8-61.2170.7000109.9I844 Y858 R860 E885I844-I887 HydrophobicContact CD1-CD1 3.9Å; Y858-I887 HydrophobicContact CD2-CB 4.03Å; Y858-I887 HydrophobicContact CD2-CD1 4.35Å; Y858-I887 HydrophobicContact CD2-CG2 4.46Å; Y858-I887 HydrophobicContact CE2-CB 3.65Å; Y858-I887 HydrophobicContact CE2-CD1 4.08Å; Y858-I887 HydrophobicContact CE2-CG1 4.45Å; Y858-I887 HydrophobicContact CE2-CG2 3.59Å; Y858-I887 PolarHBondContact O-N 3.02Å; R860-I887 HydrophobicContact CB-CD1 4.05Å; E885-I887 PolarHBondContact O-N 2.85Å
888H91.5Very high88.5Confident37 Ų3747.4 Ų47.417%0.17125%0.25CC..EExtended strand (participates in β ladder)trans-133131.4177.3-148.9-63.2000110.1G857 Y858 E890 W931 S935G857-H888 CarbonylContact C-O 3.48Å; G857-H888 WeakPolarHBondContact CA-O 3.38Å; Y858-H888 HydrophobicContact CD1-CB 3.75Å; Y858-H888 HydrophobicContact CE1-CB 3.41Å; Y858-H888 VanDerWaalsContact CE1-CB 3.41Å; Y858-H888 HydrophobicContact CG-CB 4.44Å; Y858-H888 PolarHBondContact N-O 2.82Å; Y858-H888 PolarHBondContact O-N 3.27Å; Y858-H888 VanDerWaalsContact O-N 3.12Å; H888-E890 WeakPolarHBondContact CE1-CB 3.27Å; H888-E890 WeakPolarHBondContact CE1-CG 3.36Å; H888-E890 IonicContact CE1-OE1 3.96Å; H888-E890 IonicContact CE1-OE2 3.76Å; H888-E890 PolarHBondContact CE1-OE2 3.36Å; H888-E890 PolarHBondContact ND1-N 2.87Å; H888-W931 AromaticContact CE1-CD1 3.72Å; H888-W931 AromaticContact CG-CD1 3.74Å; H888-W931 AromaticContact ND1-CD1 3.32Å; H888-W931 VanDerWaalsContact ND1-CD1 3.32Å; H888-W931 AromaticContact ND1-NE1 3.86Å; H888-S935 PolarHBondContact CE1-OG 3.43Å; H888-S935 VanDerWaalsContact CE1-OG 3.31Å; H888-S935 PolarHBondContact NE2-OG 3.19Å
889K92.2Very high89.5Confident109 Ų10950.5 Ų50.547%0.47426%0.262SS..  trans-110.6-12.8-173.4-64.6-170.9-178.9-171.50113.8Q818 W886Q818-K889 HydrophobicContact CB-CD 4.25Å; Q818-K889 HydrophobicContact CG-CD 4.09Å; Q818-K889 HydrophobicContact CG-CG 4.18Å; Q818-K889 PolarHBondContact NE2-O 3.1Å; Q818-K889 PolarHBondContact O-NZ 3.47Å; W886-K889 HydrophobicContact CB-CD 4.46Å; W886-K889 HydrophobicContact CB-CG 4.1Å; W886-K889 HydrophobicContact CE3-CG 4.3Å
890E88.9Confident90.5Very high87 Ų8749.6 Ų49.641%0.40725%0.253SS..SBendtrans-77.6155.9-178.2-54.6177.4171.600111.7G857 H888 W931 S935G857-E890 WeakPolarHBondContact CA-O 3.47Å; G857-E890 PolarHBondContact N-O 3.11Å; H888-E890 WeakPolarHBondContact CE1-CB 3.27Å; H888-E890 WeakPolarHBondContact CE1-CG 3.36Å; H888-E890 IonicContact CE1-OE1 3.96Å; H888-E890 IonicContact CE1-OE2 3.76Å; H888-E890 PolarHBondContact CE1-OE2 3.36Å; H888-E890 PolarHBondContact ND1-N 2.87Å; E890-W931 PolarHBondContact O-NE1 2.97Å; E890-S935 PolarHBondContact OE2-OG 3.47Å
891S91Very high91.1Very high57 Ų5753 Ų5340%0.39927%0.269SS..PPolyproline II helixtrans-87.5131.7179.454.80000113.1F855F855-S891 CarbonylContact O-C 3.49Å; F855-S891 WeakPolarHBondContact O-CA 3.24Å
892L92.1Very high91.5Very high2 Ų252.3 Ų52.31%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-101.1116.1171.1179.266.1000110.2H854 F855 F896 T897 L927 L930 W931H854-L892 WeakPolarHBondContact CA-O 3.44Å; F855-L892 PolarHBondContact N-O 3.31Å; F855-L892 PolarHBondContact O-N 2.92Å; L892-F896 HydrophobicContact CD1-CB 4.3Å; L892-F896 HydrophobicContact CD1-CD2 4.34Å; L892-T897 HydrophobicContact CD2-CG2 3.63Å; L892-T897 HydrophobicContact CG-CG2 4.03Å; L892-L927 HydrophobicContact CD2-CD1 4.11Å; L892-L930 HydrophobicContact CD1-CB 4.15Å; L892-L930 HydrophobicContact CD2-CB 3.68Å; L892-L930 HydrophobicContact CD2-CD1 4.21Å; L892-W931 HydrophobicContact CB-CD2 4.01Å; L892-W931 VanDerWaalsContact CB-CE2 3.48Å; L892-W931 HydrophobicContact CB-CE3 4.5Å; L892-W931 HydrophobicContact CB-CH2 4.1Å; L892-W931 HydrophobicContact CB-CZ2 3.54Å; L892-W931 HydrophobicContact CD2-CD2 4.02Å; L892-W931 HydrophobicContact CD2-CE3 3.76Å; L892-W931 HydrophobicContact CD2-CH2 4.02Å; L892-W931 HydrophobicContact CD2-CZ2 4.26Å; L892-W931 HydrophobicContact CD2-CZ3 3.76Å
893P90.7Very high91.5Very high30 Ų3054.9 Ų54.920%0.19528%0.282CS..EExtended strand (participates in β ladder)trans-61.9136176-23.131.9000113.1H854 P895 F896H854-P893 VanDerWaalsContact CD2-CA 3.44Å; H854-P893 WeakPolarHBondContact CD2-CA 3.23Å; P893-P895 VanDerWaalsContact C-N 3.32Å; P893-F896 HydrophobicContact CB-CD2 3.93Å; P893-F896 HydrophobicContact CB-CE2 4.08Å; P893-F896 HydrophobicContact CG-CD2 4.01Å; P893-F896 HydrophobicContact CG-CE2 3.86Å; P893-F896 PolarHBondContact O-N 2.68Å
894F91.8Very high91.5Very high36 Ų3658.9 Ų58.916%0.15829%0.29CS..G310 helixtrans-53.9-34.3177.2-73-8.8000115.2S848 G853 H854 F855 F896 T897 Q898 Q911S848-F894 WeakPolarHBondContact OG-CZ 3.49Å; G853-F894 VanDerWaalsContact C-CG 3.47Å; G853-F894 VanDerWaalsContact O-CB 3.27Å; G853-F894 WeakPolarHBondContact O-CB 3.21Å; G853-F894 WeakPolarHBondContact O-CG 3.41Å; G853-F894 PolarHBondContact O-N 2.65Å; H854-F894 VanDerWaalsContact O-CE1 3.27Å; H854-F894 WeakPolarHBondContact O-CE1 3.42Å; F855-F894 HydrophobicContact CD1-CE1 4.27Å; F855-F894 AromaticContact CD2-CD1 3.62Å; F855-F894 HydrophobicContact CD2-CD1 3.62Å; F855-F894 AromaticContact CD2-CE1 3.58Å; F855-F894 HydrophobicContact CD2-CE1 3.58Å; F855-F894 HydrophobicContact CE1-CE1 4.25Å; F855-F894 AromaticContact CE2-CD1 3.58Å; F855-F894 HydrophobicContact CE2-CD1 3.58Å; F855-F894 AromaticContact CE2-CE1 3.56Å; F855-F894 HydrophobicContact CE2-CE1 3.56Å; F855-F894 HydrophobicContact CG-CD1 4.4Å; F855-F894 AromaticContact CG-CE1 3.95Å; F855-F894 HydrophobicContact CG-CE1 3.95Å; F855-F894 HydrophobicContact CZ-CD1 4.34Å; F855-F894 AromaticContact CZ-CE1 3.92Å; F855-F894 HydrophobicContact CZ-CE1 3.92Å; F894-F896 PolarHBondContact O-N 2.92Å; F894-T897 WeakPolarHBondContact O-CA 3.46Å; F894-T897 PolarHBondContact O-N 2.98Å; F894-T897 PolarHBondContact O-OG1 2.93Å; F894-Q898 PolarHBondContact O-N 3.29Å; F894-Q911 HydrophobicContact CB-CB 4.49Å; F894-Q911 HydrophobicContact CD1-CB 4.07Å; F894-Q911 HydrophobicContact CD2-CB 3.94Å; F894-Q911 HydrophobicContact CE1-CB 4.23Å; F894-Q911 HydrophobicContact CE2-CB 4.12Å; F894-Q911 HydrophobicContact CG-CB 3.92Å; F894-Q911 HydrophobicContact CZ-CB 4.26Å; F894-Q911 PolarHBondContact O-OE1 2.79Å
895P88.7Confident91.4Very high83 Ų8359.7 Ų59.754%0.53929%0.294SS..G310 helixtrans-50.4-39.6176.3-32.238.2000114.7P893 T897 Q898P893-P895 VanDerWaalsContact C-N 3.32Å; P895-T897 PolarHBondContact O-N 3.49Å; P895-Q898 WeakPolarHBondContact O-CG 3.34Å
896F86.2Confident91.1Very high112 Ų11261.8 Ų61.849%0.49131%0.308SS..G310 helixtrans-71.1-17177.8-58.1-58.9000113.5L892 P893 F894 H899 L930L892-F896 HydrophobicContact CD1-CB 4.3Å; L892-F896 HydrophobicContact CD1-CD2 4.34Å; P893-F896 HydrophobicContact CB-CD2 3.93Å; P893-F896 HydrophobicContact CB-CE2 4.08Å; P893-F896 HydrophobicContact CG-CD2 4.01Å; P893-F896 HydrophobicContact CG-CE2 3.86Å; P893-F896 PolarHBondContact O-N 2.68Å; F894-F896 PolarHBondContact O-N 2.92Å; F896-H899 PolarHBondContact O-CE1 2.92Å; F896-H899 PolarHBondContact O-ND1 3.08Å; F896-L930 WeakPolarHBondContact O-CD1 2.97Å
897T90.5Very high90.9Very high0 Ų065 Ų650%033%0.327CS..G310 helixtrans-98.9-3.1-17772.60000114.1F855 L892 F894 P895 H899 I900 L927 L930F855-T897 HydrophobicContact CD2-CG2 4.05Å; F855-T897 HydrophobicContact CE2-CG2 3.88Å; L892-T897 HydrophobicContact CD2-CG2 3.63Å; L892-T897 HydrophobicContact CG-CG2 4.03Å; F894-T897 WeakPolarHBondContact O-CA 3.46Å; F894-T897 PolarHBondContact O-N 2.98Å; F894-T897 PolarHBondContact O-OG1 2.93Å; P895-T897 PolarHBondContact O-N 3.49Å; T897-H899 PolarHBondContact O-N 3.31Å; T897-H899 VanDerWaalsContact O-N 3.11Å; T897-I900 PolarHBondContact O-N 3.47Å; T897-L927 HydrophobicContact CG2-CD1 3.6Å; T897-L930 HydrophobicContact CG2-CD1 3.95Å
898Q85.5Confident90.7Very high81 Ų8164.7 Ų64.738%0.37932%0.323SS..THydrogen-bonded Turntrans-60.3-27.2-171.5-68.4-167.840.600114.3F894 P895 I900 R909F894-Q898 PolarHBondContact O-N 3.29Å; P895-Q898 WeakPolarHBondContact O-CG 3.34Å; Q898-I900 VanDerWaalsContact C-N 3.32Å; Q898-R909 WeakPolarHBondContact O-CD 3.34Å
899H89.1Confident90.8Very high126 Ų12667 Ų6758%0.58333%0.33SS*.THydrogen-bonded Turntrans-78-13179.265.3-92.1000113.7F896 T897F896-H899 PolarHBondContact O-CE1 2.92Å; F896-H899 PolarHBondContact O-ND1 3.08Å; T897-H899 PolarHBondContact O-N 3.31Å; T897-H899 VanDerWaalsContact O-N 3.11Å
900I93.3Very high90.8Very high0 Ų061.8 Ų61.80%031%0.307CS..  trans-91.3113.1-177-50.2-178.3000109.7T897 Q898 R909 V910 A923 Q926 L927 L930T897-I900 PolarHBondContact O-N 3.47Å; Q898-I900 VanDerWaalsContact C-N 3.32Å; I900-R909 WeakPolarHBondContact O-CA 3.12Å; I900-V910 HydrophobicContact CB-CG1 4.22Å; I900-V910 HydrophobicContact CB-CG2 3.93Å; I900-V910 HydrophobicContact CG2-CG1 3.64Å; I900-V910 HydrophobicContact CG2-CG2 4.19Å; I900-V910 PolarHBondContact O-N 3.34Å; I900-A923 HydrophobicContact CG2-CB 4.07Å; I900-Q926 HydrophobicContact CD1-CB 4.01Å; I900-L927 HydrophobicContact CD1-CB 3.99Å; I900-L927 HydrophobicContact CD1-CD1 4.29Å; I900-L930 HydrophobicContact CD1-CD1 3.64Å; I900-L930 HydrophobicContact CD1-CG 4.38Å
901L93.4Very high90.9Very high80 Ų8059.6 Ų59.642%0.41930%0.297SS..EExtended strand (participates in β ladder)trans-100.4151.9175.9-51.9-174.1000110N907 R909 A923L901-N907 HydrophobicContact CD1-CB 4.48Å; L901-R909 HydrophobicContact CD2-CB 4.32Å; L901-R909 HydrophobicContact CD2-CG 3.67Å; L901-A923 VanDerWaalsContact O-CB 3.31Å; L901-A923 WeakPolarHBondContact O-CB 3.44Å
902N94.8Very high90.8Very high0 Ų061.2 Ų61.20%030%0.304CS..EExtended strand (participates in β ladder)trans-110.6107.6173.3-178.815.1000110.5W904 N905 N907 K908 V910 E918 L919 E920N902-W904 PolarHBondContact O-N 3.09Å; N902-W904 PolarHBondContact OD1-N 3.43Å; N902-W904 VanDerWaalsContact OD1-N 3.14Å; N902-N905 HydrophobicContact CB-CB 4.29Å; N902-N905 CarbonylContact O-C 3.53Å; N902-N905 PolarHBondContact O-N 3.07Å; N902-N907 WeakPolarHBondContact O-CA 3.31Å; N902-N907 PolarHBondContact O-N 3.26Å; N902-N907 VanDerWaalsContact O-N 3.13Å; N902-K908 PolarHBondContact N-O 3.29Å; N902-V910 HydrophobicContact CB-CG1 4.35Å; N902-E918 PolarHBondContact ND2-O 3.34Å; N902-L919 HydrophobicContact CB-CD2 4.17Å; N902-L919 WeakPolarHBondContact ND2-CD2 3.29Å; N902-E920 PolarHBondContact OD1-N 3.02Å
903P91.6Very high90.8Very high56 Ų5661.4 Ų61.436%0.36431%0.306SS..G310 helixtrans-55.8-32.5175.9-28.938.2000113.4N905 N907P903-N905 PolarHBondContact O-N 2.84Å; P903-N905 VanDerWaalsContact O-N 3.12Å; P903-N907 WeakPolarHBondContact CA-OD1 3.08Å
904W91.8Very high90.8Very high132 Ų13269.4 Ų69.450%0.533%0.332SS..G310 helixtrans-7811.3178.9-56.1-4.6000113.8N902 E918 E920 P921N902-W904 PolarHBondContact O-N 3.09Å; N902-W904 PolarHBondContact OD1-N 3.43Å; N902-W904 VanDerWaalsContact OD1-N 3.14Å; W904-E918 HydrophobicContact CE3-CG 4.1Å; W904-E918 HydrophobicContact CZ3-CG 3.93Å; W904-E920 HydrophobicContact CD2-CB 3.95Å; W904-E920 HydrophobicContact CE3-CB 4.48Å; W904-E920 HydrophobicContact CG-CB 4.19Å; W904-E920 HydrophobicContact CZ2-CB 4.29Å; W904-E920 HydrophobicContact CZ2-CG 4.18Å; W904-P921 VanDerWaalsContact CH2-CD 3.45Å; W904-P921 HydrophobicContact CH2-CG 4.31Å
905N91.7Very high90.8Very high21 Ų2170 Ų7011%0.11234%0.337CS..G310 helixtrans-143.647.7175-175.915.6000110.9N902 P903 N907 K908N902-N905 HydrophobicContact CB-CB 4.29Å; N902-N905 CarbonylContact O-C 3.53Å; N902-N905 PolarHBondContact O-N 3.07Å; P903-N905 PolarHBondContact O-N 2.84Å; P903-N905 VanDerWaalsContact O-N 3.12Å; N905-N907 VanDerWaalsContact C-N 3.33Å; N905-N907 PolarHBondContact O-N 3.31Å; N905-K908 WeakPolarHBondContact O-CB 3.41Å; N905-K908 WeakPolarHBondContact O-CD 3.49Å; N905-K908 WeakPolarHBondContact O-CG 3.28Å; N905-K908 PolarHBondContact O-N 3.45Å; N905-K908 VanDerWaalsContact O-N 3.16Å; N905-K908 PolarHBondContact O-NZ 3.02Å; N905-K908 PolarHBondContact OD1-NZ 3.22Å
906D90.5Very high90.9Very high133 Ų13366.3 Ų66.371%0.71131%0.314SS*.THydrogen-bonded Turntrans56.538.3-179.3-43.3-43.1000113.9K908D906-K908 PolarHBondContact O-N 3Å; D906-K908 VanDerWaalsContact O-N 3.14Å; D906-K908 IonicContact OD2-NZ 3.21Å; D906-K908 PolarHBondContact OD2-NZ 2.9Å
907N88.9Confident91.3Very high97 Ų9762.9 Ų62.952%0.51930%0.299SS..THydrogen-bonded Turntrans55.225.3-174.9-69.8-51.5000114.9L901 N902 P903 N905L901-N907 HydrophobicContact CD1-CB 4.48Å; N902-N907 WeakPolarHBondContact O-CA 3.31Å; N902-N907 PolarHBondContact O-N 3.26Å; N902-N907 VanDerWaalsContact O-N 3.13Å; P903-N907 WeakPolarHBondContact CA-OD1 3.08Å; N905-N907 VanDerWaalsContact C-N 3.33Å; N905-N907 PolarHBondContact O-N 3.31Å
908K90.4Very high91.5Very high79 Ų7964.7 Ų64.734%0.34331%0.308SS..EExtended strand (participates in β ladder)trans-71.6146.2175.1-64.3176.5-153.997.80111.2N902 N905 D906 V910N902-K908 PolarHBondContact N-O 3.29Å; N905-K908 WeakPolarHBondContact O-CB 3.41Å; N905-K908 WeakPolarHBondContact O-CD 3.49Å; N905-K908 WeakPolarHBondContact O-CG 3.28Å; N905-K908 PolarHBondContact O-N 3.45Å; N905-K908 VanDerWaalsContact O-N 3.16Å; N905-K908 PolarHBondContact O-NZ 3.02Å; N905-K908 PolarHBondContact OD1-NZ 3.22Å; D906-K908 PolarHBondContact O-N 3Å; D906-K908 VanDerWaalsContact O-N 3.14Å; D906-K908 IonicContact OD2-NZ 3.21Å; D906-K908 PolarHBondContact OD2-NZ 2.9Å; K908-V910 PolarHBondContact O-N 2.91Å
909R93.4Very high91.9Very high86 Ų8660.9 Ų60.933%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-55135.7175-59.7-177.1-171178.34.5110.7Q898 I900 L901 Q911 V912Q898-R909 WeakPolarHBondContact O-CD 3.34Å; I900-R909 WeakPolarHBondContact O-CA 3.12Å; L901-R909 HydrophobicContact CD2-CB 4.32Å; L901-R909 HydrophobicContact CD2-CG 3.67Å; R909-Q911 HydrophobicContact CB-CG 4.03Å; R909-Q911 PolarHBondContact O-N 3.39Å; R909-V912 HydrophobicContact CB-CG2 4.34Å; R909-V912 WeakPolarHBondContact O-CB 3.33Å; R909-V912 PolarHBondContact O-N 3.21Å
910V93.3Very high92.2Very high0 Ų057.3 Ų57.30%027%0.273CS..G310 helixtrans-54.5-31.4-173.9-69.20000114.3F855 I900 N902 K908 V912 S913 L919 L927F855-V910 HydrophobicContact CE2-CG2 4.5Å; F855-V910 HydrophobicContact CZ-CG2 4.26Å; I900-V910 HydrophobicContact CB-CG1 4.22Å; I900-V910 HydrophobicContact CB-CG2 3.93Å; I900-V910 HydrophobicContact CG2-CG1 3.64Å; I900-V910 HydrophobicContact CG2-CG2 4.19Å; I900-V910 PolarHBondContact O-N 3.34Å; N902-V910 HydrophobicContact CB-CG1 4.35Å; K908-V910 PolarHBondContact O-N 2.91Å; V910-V912 PolarHBondContact O-N 3.38Å; V910-S913 WeakPolarHBondContact O-CB 3.4Å; V910-S913 PolarHBondContact O-N 2.92Å; V910-S913 VanDerWaalsContact O-N 3.16Å; V910-S913 PolarHBondContact O-OG 2.9Å; V910-L919 HydrophobicContact CG1-CD1 4.23Å; V910-L919 HydrophobicContact CG1-CD2 4.16Å; V910-L927 HydrophobicContact CB-CD2 4.23Å; V910-L927 HydrophobicContact CG2-CD1 4.26Å; V910-L927 HydrophobicContact CG2-CD2 4.04Å
911Q91.2Very high92.1Very high41 Ų4160 Ų6019%0.19229%0.291CS..G310 helixtrans-58.2-28.9175.766.7-166.439.200114.2K807 F855 F894 R909 S913K807-Q911 PolarHBondContact NZ-O 2.66Å; F855-Q911 HydrophobicContact CZ-CB 4.49Å; F894-Q911 HydrophobicContact CB-CB 4.49Å; F894-Q911 HydrophobicContact CD1-CB 4.07Å; F894-Q911 HydrophobicContact CD2-CB 3.94Å; F894-Q911 HydrophobicContact CE1-CB 4.23Å; F894-Q911 HydrophobicContact CE2-CB 4.12Å; F894-Q911 HydrophobicContact CG-CB 3.92Å; F894-Q911 HydrophobicContact CZ-CB 4.26Å; F894-Q911 PolarHBondContact O-OE1 2.79Å; R909-Q911 HydrophobicContact CB-CG 4.03Å; R909-Q911 PolarHBondContact O-N 3.39Å; Q911-S913 VanDerWaalsContact C-N 3.31Å
912V88.6Confident92Very high91 Ų9162.4 Ų62.455%0.55230%0.3SS*.G310 helixtrans-85.8-1.1-177.5-165.20000112.3R909 V910R909-V912 HydrophobicContact CB-CG2 4.34Å; R909-V912 WeakPolarHBondContact O-CB 3.33Å; R909-V912 PolarHBondContact O-N 3.21Å; V910-V912 PolarHBondContact O-N 3.38Å
913S91.4Very high92Very high5 Ų562.5 Ų62.54%0.03530%0.301CS..PPolyproline II helixtrans-58.8141.5176.9-65.90000113.1K807 V910 Q911K807-S913 WeakPolarHBondContact CE-O 3.43Å; V910-S913 WeakPolarHBondContact O-CB 3.4Å; V910-S913 PolarHBondContact O-N 2.92Å; V910-S913 VanDerWaalsContact O-N 3.16Å; V910-S913 PolarHBondContact O-OG 2.9Å; Q911-S913 VanDerWaalsContact C-N 3.31Å
914R91.6Very high92.1Very high199 Ų19959.8 Ų59.875%0.75128%0.283SS*.PPolyproline II helixtrans-76.6169.4174.1-61.3179.4-178.5174.22110.9Q917R914-Q917 WeakPolarHBondContact O-CB 3.32Å; R914-Q917 PolarHBondContact O-N 3.14Å
915D91.6Very high92.1Very high49 Ų4956.6 Ų56.626%0.26228%0.281SS..THydrogen-bonded Turntrans-61.6135.8168.9-170.651.8000110.9M806 K807 N829 Q917M806-D915 WeakPolarHBondContact CA-OD1 3.43Å; M806-D915 WeakPolarHBondContact CE-OD1 3.4Å; K807-D915 HydrophobicContact CB-CB 4.05Å; K807-D915 HydrophobicContact CG-CB 4.45Å; K807-D915 PolarHBondContact N-OD1 3.32Å; N829-D915 PolarHBondContact ND2-OD2 3.11Å; D915-Q917 PolarHBondContact O-N 2.92Å
916G89.9Confident92.2Very high5 Ų559.5 Ų59.55%0.05229%0.294CS..THydrogen-bonded Turntrans67.114.3-176.200000114.9I805 N829 E918I805-G916 PolarHBondContact O-N 2.79Å; N829-G916 WeakPolarHBondContact ND2-CA 3.38Å; G916-E918 PolarHBondContact O-N 3.02Å
917Q94.3Very high92.4Very high40 Ų4053.1 Ų53.119%0.18726%0.26CS..EExtended strand (participates in β ladder)trans-71.5124.2173.517763.158.900109.8F804 I805 R914 D915F804-Q917 WeakPolarHBondContact CA-O 3.47Å; I805-Q917 PolarHBondContact N-O 3.23Å; R914-Q917 WeakPolarHBondContact O-CB 3.32Å; R914-Q917 PolarHBondContact O-N 3.14Å; D915-Q917 PolarHBondContact O-N 2.92Å
918E94.5Very high92.6Very high38 Ų3849.6 Ų49.618%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-78.2142172.8-162.2166.6-178.400110.6R802 Y803 F804 N902 W904 G916R802-E918 IonicContact CZ-OE1 2.77Å; R802-E918 VanDerWaalsContact CZ-OE1 3.23Å; R802-E918 IonicContact CZ-OE2 3.9Å; R802-E918 IonicContact NE-OE1 3.89Å; R802-E918 PolarHBondContact NE-OE1 2.82Å; R802-E918 IonicContact NH2-OE1 2.7Å; R802-E918 PolarHBondContact NH2-OE1 3.16Å; R802-E918 IonicContact NH2-OE2 2.63Å; R802-E918 PolarHBondContact NH2-OE2 3.05Å; Y803-E918 CarbonylContact O-C 3.36Å; Y803-E918 WeakPolarHBondContact O-CA 3.34Å; F804-E918 HydrophobicContact CD1-CB 3.83Å; F804-E918 HydrophobicContact CD1-CG 4.05Å; F804-E918 HydrophobicContact CE1-CB 3.63Å; F804-E918 HydrophobicContact CE1-CG 3.64Å; F804-E918 HydrophobicContact CE2-CG 4.45Å; F804-E918 HydrophobicContact CZ-CB 4.36Å; F804-E918 HydrophobicContact CZ-CG 3.86Å; N902-E918 PolarHBondContact ND2-O 3.34Å; W904-E918 HydrophobicContact CE3-CG 4.1Å; W904-E918 HydrophobicContact CZ3-CG 3.93Å; G916-E918 PolarHBondContact O-N 3.02Å
919L95.1Very high92.7Very high0 Ų047.6 Ų47.60%024%0.237CC..EExtended strand (participates in β ladder)trans-104.2144.2170.9-51.3-175.5000110Y803 I805 I846 N902 V910 L927Y803-L919 PolarHBondContact O-N 2.89Å; I805-L919 HydrophobicContact CD1-CD1 3.83Å; I805-L919 HydrophobicContact CD1-CD2 4.37Å; I805-L919 HydrophobicContact CD1-CG 4.24Å; I805-L919 HydrophobicContact CG1-CD1 4.23Å; I805-L919 HydrophobicContact CG1-CD2 3.86Å; I805-L919 HydrophobicContact CG1-CG 4.09Å; I846-L919 HydrophobicContact CD1-CD1 4.19Å; N902-L919 HydrophobicContact CB-CD2 4.17Å; N902-L919 WeakPolarHBondContact ND2-CD2 3.29Å; V910-L919 HydrophobicContact CG1-CD1 4.23Å; V910-L919 HydrophobicContact CG1-CD2 4.16Å; L919-L927 HydrophobicContact CD1-CD2 3.94Å
920E94.9Very high92.5Very high52 Ų5244.4 Ų44.424%0.24323%0.226CC..  trans-53.2139.8163.7-177.6-168.9-112.600110.8N902 W904 Q922 A923 G924N902-E920 PolarHBondContact OD1-N 3.02Å; W904-E920 HydrophobicContact CD2-CB 3.95Å; W904-E920 HydrophobicContact CE3-CB 4.48Å; W904-E920 HydrophobicContact CG-CB 4.19Å; W904-E920 HydrophobicContact CZ2-CB 4.29Å; W904-E920 HydrophobicContact CZ2-CG 4.18Å; E920-Q922 PolarHBondContact O-N 2.73Å; E920-Q922 VanDerWaalsContact O-N 3.12Å; E920-A923 HydrophobicContact CB-CB 4.4Å; E920-A923 PolarHBondContact O-N 2.8Å; E920-A923 VanDerWaalsContact O-N 3.15Å; E920-G924 PolarHBondContact O-N 2.86Å
921P92.4Very high92.2Very high57 Ų5744.5 Ų44.537%0.3723%0.226SC..Hα-helixtrans-52.9-33.8-179-31.235.9000115.6Y803 W904 S925Y803-P921 HydrophobicContact CE2-CB 4.28Å; W904-P921 VanDerWaalsContact CH2-CD 3.45Å; W904-P921 HydrophobicContact CH2-CG 4.31Å; P921-S925 WeakPolarHBondContact O-CB 3.48Å; P921-S925 PolarHBondContact O-N 2.81Å
922Q91.1Very high91.6Very high129 Ų12949 Ų4960%0.60325%0.248SC*.Hα-helixtrans-71.4-48.7177.8-175.9166.1-19.400111.5E920 G924 S925 Q926E920-Q922 PolarHBondContact O-N 2.73Å; E920-Q922 VanDerWaalsContact O-N 3.12Å; Q922-G924 VanDerWaalsContact C-N 3.32Å; Q922-G924 PolarHBondContact O-N 3.28Å; Q922-S925 PolarHBondContact O-N 3.38Å; Q922-Q926 WeakPolarHBondContact O-CB 3.42Å; Q922-Q926 WeakPolarHBondContact O-CG 3.43Å; Q922-Q926 PolarHBondContact O-N 2.82Å
923A93.7Very high90.8Very high2 Ų253.6 Ų53.62%0.01726%0.255CS..Hα-helixtrans-60.6-38.6173.700000112.9I900 L901 E920 L927I900-A923 HydrophobicContact CG2-CB 4.07Å; L901-A923 VanDerWaalsContact O-CB 3.31Å; L901-A923 WeakPolarHBondContact O-CB 3.44Å; E920-A923 HydrophobicContact CB-CB 4.4Å; E920-A923 PolarHBondContact O-N 2.8Å; E920-A923 VanDerWaalsContact O-N 3.15Å; A923-L927 WeakPolarHBondContact O-CB 3.47Å; A923-L927 PolarHBondContact O-N 3.25Å; A923-L927 VanDerWaalsContact O-N 3.07Å
924G93.8Very high89.3Confident0 Ų055.6 Ų55.60%027%0.265CS..Hα-helixtrans-65.6-47.1175.400000113E920 Q922 L927 L928E920-G924 PolarHBondContact O-N 2.86Å; Q922-G924 VanDerWaalsContact C-N 3.32Å; Q922-G924 PolarHBondContact O-N 3.28Å; G924-L927 PolarHBondContact O-N 2.95Å; G924-L928 WeakPolarHBondContact O-CD1 3.5Å; G924-L928 PolarHBondContact O-N 3.25Å; G924-L928 VanDerWaalsContact O-N 3.09Å
925S92.8Very high87.6Confident64 Ų6447.9 Ų47.945%0.44824%0.242SC..Hα-helixtrans-63-44.7176.9-175.80000112.2P921 Q922 L927 L928 S929P921-S925 WeakPolarHBondContact O-CB 3.48Å; P921-S925 PolarHBondContact O-N 2.81Å; Q922-S925 PolarHBondContact O-N 3.38Å; S925-L927 VanDerWaalsContact C-N 3.32Å; S925-L927 PolarHBondContact O-N 3.28Å; S925-L928 PolarHBondContact O-N 2.96Å; S925-S929 PolarHBondContact O-N 2.7Å
926Q93.7Very high85.5Confident82 Ų8247.7 Ų47.738%0.38325%0.251SS..Hα-helixtrans-56.8-45.1173.5-76.1177.6-12.900111.7I900 Q922 L928 S929I900-Q926 HydrophobicContact CD1-CB 4.01Å; Q922-Q926 WeakPolarHBondContact O-CB 3.42Å; Q922-Q926 WeakPolarHBondContact O-CG 3.43Å; Q922-Q926 PolarHBondContact O-N 2.82Å; Q926-L928 VanDerWaalsContact C-N 3.34Å; Q926-L928 PolarHBondContact O-N 3.21Å; Q926-S929 PolarHBondContact O-N 2.63Å; Q926-S929 PolarHBondContact O-OG 3.49Å
927L94.3Very high83.3Confident0 Ų053.7 Ų53.70%028%0.282CS..Hα-helixtrans-63.4-36.9179.6-179.856.6000112.4I805 I846 F855 L892 T897 I900 V910 L919 A923 G924 S925 W931I805-L927 HydrophobicContact CD1-CD2 4.33Å; I846-L927 HydrophobicContact CD1-CD2 3.79Å; I846-L927 HydrophobicContact CD1-CG 4.28Å; I846-L927 HydrophobicContact CG2-CD2 4.3Å; F855-L927 HydrophobicContact CD2-CD1 4.26Å; F855-L927 HydrophobicContact CE1-CD2 4.35Å; F855-L927 HydrophobicContact CE2-CD1 4.01Å; F855-L927 HydrophobicContact CE2-CD2 4.44Å; F855-L927 HydrophobicContact CZ-CD1 4.49Å; F855-L927 HydrophobicContact CZ-CD2 4.11Å; L892-L927 HydrophobicContact CD2-CD1 4.11Å; T897-L927 HydrophobicContact CG2-CD1 3.6Å; I900-L927 HydrophobicContact CD1-CB 3.99Å; I900-L927 HydrophobicContact CD1-CD1 4.29Å; V910-L927 HydrophobicContact CB-CD2 4.23Å; V910-L927 HydrophobicContact CG2-CD1 4.26Å; V910-L927 HydrophobicContact CG2-CD2 4.04Å; L919-L927 HydrophobicContact CD1-CD2 3.94Å; A923-L927 WeakPolarHBondContact O-CB 3.47Å; A923-L927 PolarHBondContact O-N 3.25Å; A923-L927 VanDerWaalsContact O-N 3.07Å; G924-L927 PolarHBondContact O-N 2.95Å; S925-L927 VanDerWaalsContact C-N 3.32Å; S925-L927 PolarHBondContact O-N 3.28Å; L927-W931 HydrophobicContact CD1-CZ3 4.32Å; L927-W931 HydrophobicContact CG-CZ3 4.2Å; L927-W931 VanDerWaalsContact O-CE3 3.28Å; L927-W931 WeakPolarHBondContact O-CZ3 3.35Å
928L93.8Very high80.7Confident22 Ų2258.3 Ų58.312%0.11530%0.304CS..Hα-helixtrans-66-43.6173.3-96.269.5000112.3Y803 I844 I846 Y858 G924 S925 Q926 L930 W931Y803-L928 HydrophobicContact CD1-CD1 4.04Å; Y803-L928 HydrophobicContact CE1-CD1 3.95Å; Y803-L928 HydrophobicContact CE1-CD2 4.04Å; I844-L928 HydrophobicContact CG2-CD1 4.18Å; I844-L928 HydrophobicContact CG2-CD2 4.31Å; I846-L928 HydrophobicContact CD1-CD1 3.57Å; I846-L928 HydrophobicContact CG1-CD1 4.06Å; Y858-L928 HydrophobicContact CD1-CD1 4.49Å; Y858-L928 HydrophobicContact CD1-CG 4.1Å; Y858-L928 HydrophobicContact CD2-CD2 3.99Å; Y858-L928 HydrophobicContact CD2-CG 4.16Å; Y858-L928 HydrophobicContact CE1-CD2 4.38Å; Y858-L928 HydrophobicContact CE1-CG 3.83Å; Y858-L928 HydrophobicContact CE2-CD2 3.54Å; Y858-L928 HydrophobicContact CE2-CG 3.89Å; Y858-L928 HydrophobicContact CG-CD1 4.44Å; Y858-L928 HydrophobicContact CG-CG 4.27Å; G924-L928 WeakPolarHBondContact O-CD1 3.5Å; G924-L928 PolarHBondContact O-N 3.25Å; G924-L928 VanDerWaalsContact O-N 3.09Å; S925-L928 PolarHBondContact O-N 2.96Å; Q926-L928 VanDerWaalsContact C-N 3.34Å; Q926-L928 PolarHBondContact O-N 3.21Å; L928-L930 PolarHBondContact O-N 3.44Å; L928-W931 PolarHBondContact O-N 3.17Å
929S90.9Very high77.9Confident37 Ų3763.7 Ų63.726%0.25933%0.333SS..Hα-helixtrans-60.5-19.1-177.576.10000114.5S925 Q926 E932 R933S925-S929 PolarHBondContact O-N 2.7Å; Q926-S929 PolarHBondContact O-N 2.63Å; Q926-S929 PolarHBondContact O-OG 3.49Å; S929-E932 PolarHBondContact O-N 2.77Å; S929-R933 PolarHBondContact O-N 2.9Å; S929-R933 VanDerWaalsContact O-N 3.12Å
930L90.3Very high74.9Confident19 Ų1975.7 Ų75.710%0.09939%0.389CS..Hα-helixtrans-70.7-28.7175.1-67.3179.9000113.3L892 F896 T897 I900 L928 N934L892-L930 HydrophobicContact CD1-CB 4.15Å; L892-L930 HydrophobicContact CD2-CB 3.68Å; L892-L930 HydrophobicContact CD2-CD1 4.21Å; F896-L930 WeakPolarHBondContact O-CD1 2.97Å; T897-L930 HydrophobicContact CG2-CD1 3.95Å; I900-L930 HydrophobicContact CD1-CD1 3.64Å; I900-L930 HydrophobicContact CD1-CG 4.38Å; L928-L930 PolarHBondContact O-N 3.44Å; L930-N934 VanDerWaalsContact O-CB 3.29Å; L930-N934 WeakPolarHBondContact O-CB 3.34Å; L930-N934 PolarHBondContact O-N 2.78Å; L930-N934 VanDerWaalsContact O-N 3.14Å
931W87.1Confident73.9Confident3 Ų376.9 Ų76.91%0.01140%0.396CS..Hα-helixtrans-68.8-47.2170.7-84.9-86.8000111.1I846 F855 Y858 H888 E890 L892 L927 L928 R933 N934 S935I846-W931 HydrophobicContact CG2-CH2 3.8Å; I846-W931 HydrophobicContact CG2-CZ3 4.28Å; F855-W931 HydrophobicContact CB-CH2 3.51Å; F855-W931 HydrophobicContact CB-CZ2 3.62Å; F855-W931 HydrophobicContact CG-CH2 4.16Å; Y858-W931 HydrophobicContact CD1-CD2 4.06Å; Y858-W931 AromaticContact CD1-CE3 3.89Å; Y858-W931 HydrophobicContact CD1-CE3 3.89Å; Y858-W931 HydrophobicContact CD1-CH2 4.4Å; Y858-W931 HydrophobicContact CD1-CZ3 4.07Å; Y858-W931 HydrophobicContact CE1-CB 4.38Å; Y858-W931 HydrophobicContact CE1-CD2 4.05Å; Y858-W931 AromaticContact CE1-CE3 3.96Å; Y858-W931 HydrophobicContact CE1-CE3 3.96Å; Y858-W931 HydrophobicContact CE1-CG 4.28Å; H888-W931 AromaticContact CE1-CD1 3.72Å; H888-W931 AromaticContact CG-CD1 3.74Å; H888-W931 AromaticContact ND1-CD1 3.32Å; H888-W931 VanDerWaalsContact ND1-CD1 3.32Å; H888-W931 AromaticContact ND1-NE1 3.86Å; E890-W931 PolarHBondContact O-NE1 2.97Å; L892-W931 HydrophobicContact CB-CD2 4.01Å; L892-W931 VanDerWaalsContact CB-CE2 3.48Å; L892-W931 HydrophobicContact CB-CE3 4.5Å; L892-W931 HydrophobicContact CB-CH2 4.1Å; L892-W931 HydrophobicContact CB-CZ2 3.54Å; L892-W931 HydrophobicContact CD2-CD2 4.02Å; L892-W931 HydrophobicContact CD2-CE3 3.76Å; L892-W931 HydrophobicContact CD2-CH2 4.02Å; L892-W931 HydrophobicContact CD2-CZ2 4.26Å; L892-W931 HydrophobicContact CD2-CZ3 3.76Å; L927-W931 HydrophobicContact CD1-CZ3 4.32Å; L927-W931 HydrophobicContact CG-CZ3 4.2Å; L927-W931 VanDerWaalsContact O-CE3 3.28Å; L927-W931 WeakPolarHBondContact O-CZ3 3.35Å; L928-W931 PolarHBondContact O-N 3.17Å; W931-R933 VanDerWaalsContact C-N 3.27Å; W931-R933 PolarHBondContact O-N 2.94Å; W931-N934 PolarHBondContact O-N 2.72Å; W931-S935 PolarHBondContact O-N 3.03Å; W931-S935 PolarHBondContact O-OG 2.8Å
932E78.4Confident72.9Confident136 Ų13677.9 Ų77.964%0.63640%0.397SS*.Hα-helixtrans-57.3-41179.3-60.2177.9159.600111.7S929S929-E932 PolarHBondContact O-N 2.77Å
933R71.4Confident71.9Confident186 Ų18675.1 Ų75.170%0.70239%0.386SS*.Hα-helixtrans-67.9-34.8173.6-77.3177.8163.6-179.7-5.4113.9S929 W931S929-R933 PolarHBondContact O-N 2.9Å; S929-R933 VanDerWaalsContact O-N 3.12Å; W931-R933 VanDerWaalsContact C-N 3.27Å; W931-R933 PolarHBondContact O-N 2.94Å
934N60.2Low70.6Confident48 Ų4879.4 Ų79.426%0.25741%0.408SS..Hα-helixtrans-80-36.6-175.4-157.445.1000112.2L930 W931 G936 N937L930-N934 VanDerWaalsContact O-CB 3.29Å; L930-N934 WeakPolarHBondContact O-CB 3.34Å; L930-N934 PolarHBondContact O-N 2.78Å; L930-N934 VanDerWaalsContact O-N 3.14Å; W931-N934 PolarHBondContact O-N 2.72Å; N934-G936 PolarHBondContact O-N 3.2Å; N934-N937 PolarHBondContact O-N 2.95Å
935S55.8Low69.1Low36 Ų3684.4 Ų84.425%0.25243%0.433SS..Hα-helixtrans-65.9-24.8175.1-56.20000112.7H888 E890 W931 N937H888-S935 PolarHBondContact CE1-OG 3.43Å; H888-S935 VanDerWaalsContact CE1-OG 3.31Å; H888-S935 PolarHBondContact NE2-OG 3.19Å; E890-S935 PolarHBondContact OE2-OG 3.47Å; W931-S935 PolarHBondContact O-N 3.03Å; W931-S935 PolarHBondContact O-OG 2.8Å; S935-N937 VanDerWaalsContact C-N 3.31Å; S935-N937 PolarHBondContact O-N 3.02Å
936G46.7Very low67.6Low45 Ų4585.7 Ų85.746%0.46443%0.432SS..G310 helixtrans-68.5-24.117300000114.6N934 Q938N934-G936 PolarHBondContact O-N 3.2Å; G936-Q938 PolarHBondContact O-N 2.88Å
937N44.4Very low65.7Low131 Ų13186 Ų8670%0.70144%0.436SS*.G310 helixtrans-90.311.3-176.7-78.2-5.3000114.2N934 S935N934-N937 PolarHBondContact O-N 2.95Å; S935-N937 VanDerWaalsContact C-N 3.31Å; S935-N937 PolarHBondContact O-N 3.02Å
938Q38.6Very low63.5Low138 Ų13892.6 Ų92.665%0.64547%0.469SS*.G310 helixtrans-107.312.3175.7-63.3-168.622.300113.7G936G936-Q938 PolarHBondContact O-N 2.88Å
939L36.6Very low61Low151 Ų15198.5 Ų98.579%0.79150%0.498SS*.  trans-125.717.6-177.3-86.3167.6000114.3
940H31.3Very low58.3Low252 Ų252104.1 Ų104.1100%1.16752%0.52SS*.  trans-137.30173.4-80.5-47.5000111.3

Retrieved 940 of 940 residues in 230.1 ms (Link to these results)

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