A0A087XPA0_POEFO Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A087XPA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 665 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
1M86.7Confident89.7Confident158 Ų15864.9 Ų64.978%0.77837%0.368SS*.  0130.40-174.5179.1-71.900106.3R4 V17M1-R4 HydrophobicContact SD-CB 4.04Å; M1-V17 HydrophobicContact CG-CG1 4.48Å
2K93.5Very high88.7Confident29 Ų2959.9 Ų59.913%0.12634%0.342CS..  trans-115-33.1-168.9-61.5172.3163.6-154.60112.5V17 E434 D437 A445 D516 C518K2-V17 WeakPolarHBondContact O-CG2 3.35Å; K2-V17 PolarHBondContact O-N 3.48Å; K2-E434 WeakPolarHBondContact CB-OE1 3.29Å; K2-E434 WeakPolarHBondContact CD-OE1 3.46Å; K2-E434 WeakPolarHBondContact CE-OE1 3.4Å; K2-E434 WeakPolarHBondContact CE-OE2 3.49Å; K2-E434 WeakPolarHBondContact CG-OE1 3.28Å; K2-E434 IonicContact NZ-OE1 3.42Å; K2-E434 IonicContact NZ-OE2 2.77Å; K2-E434 PolarHBondContact NZ-OE2 3.49Å; K2-D437 IonicContact NZ-OD2 3.16Å; K2-D437 PolarHBondContact NZ-OD2 3.39Å; K2-A445 HydrophobicContact CB-CB 3.77Å; K2-D516 WeakPolarHBondContact CB-O 3.47Å; K2-D516 PolarHBondContact N-O 3.42Å; K2-C518 VanDerWaalsContact CD-SG 3.54Å
3A94.6Very high89Confident2 Ų256.3 Ų56.32%0.01732%0.322CS..EExtended strand (participates in β ladder)trans-140.5159.4167.100000109.4R15 A445 P446 D516 G517A3-R15 WeakPolarHBondContact CA-O 3.3Å; A3-R15 WeakPolarHBondContact CB-O 3.15Å; A3-A445 HydrophobicContact CB-CB 4.04Å; A3-P446 HydrophobicContact CB-CG 4.16Å; A3-D516 PolarHBondContact N-O 2.96Å; A3-G517 WeakPolarHBondContact O-CA 3.4Å
4R93.8Very high89.5Confident121 Ų12153.9 Ų53.946%0.45731%0.306SS..EExtended strand (participates in β ladder)trans-146.1158.5174.270.9-175.2-178.4169.8-0.3110.3M1 Y14 R15 F20M1-R4 HydrophobicContact SD-CB 4.04Å; R4-Y14 WeakPolarHBondContact O-CA 3.27Å; R4-R15 PolarHBondContact N-O 3.27Å; R4-R15 VanDerWaalsContact N-O 3.09Å; R4-R15 PolarHBondContact O-N 2.76Å; R4-F20 HydrophobicContact CG-CD2 3.87Å; R4-F20 HydrophobicContact CG-CE2 3.26Å; R4-F20 HydrophobicContact CG-CZ 3.88Å
5S93.4Very high90Very high17 Ų1752.9 Ų52.912%0.11930%0.295CS..EExtended strand (participates in β ladder)trans-67.4133.2174.7-179.90000110.5T7 G8 S9 P13S5-T7 VanDerWaalsContact C-N 3.3Å; S5-T7 PolarHBondContact OG-N 2.66Å; S5-T7 PolarHBondContact OG-OG1 2.85Å; S5-G8 PolarHBondContact O-N 2.75Å; S5-G8 PolarHBondContact OG-N 2.86Å; S5-S9 VanDerWaalsContact CB-O 3.24Å; S5-S9 WeakPolarHBondContact CB-O 3.45Å; S5-S9 PolarHBondContact OG-N 2.98Å; S5-S9 PolarHBondContact OG-O 3.48Å; S5-P13 CarbonylContact C-O 3.55Å; S5-P13 VanDerWaalsContact CA-O 3.29Å; S5-P13 WeakPolarHBondContact CA-O 3.38Å
6T91Very high90.3Very high53 Ų5349.6 Ų49.633%0.32528%0.277SS..SBendtrans-72.9-25.5176.457.90000112.1P13 R15 F20T6-P13 PolarHBondContact N-O 2.73Å; T6-P13 WeakPolarHBondContact OG1-CD 3.47Å; T6-P13 WeakPolarHBondContact OG1-CG 3.19Å; T6-P13 PolarHBondContact OG1-O 2.72Å; T6-R15 HydrophobicContact CG2-CB 3.99Å; T6-F20 HydrophobicContact CG2-CE2 3.85Å; T6-F20 HydrophobicContact CG2-CZ 4.06Å
7T89.9Confident90.5Very high88 Ų8849.8 Ų49.854%0.5428%0.279SS..SBendtrans-95-12176.255.10000112.7S5 S9 G12S5-T7 VanDerWaalsContact C-N 3.3Å; S5-T7 PolarHBondContact OG-N 2.66Å; S5-T7 PolarHBondContact OG-OG1 2.85Å; T7-S9 PolarHBondContact O-N 2.76Å; T7-S9 PolarHBondContact OG1-N 2.8Å; T7-S9 PolarHBondContact OG1-OG 2.92Å; T7-G12 PolarHBondContact OG1-O 2.82Å; T7-G12 VanDerWaalsContact OG1-O 3.1Å
8G86.9Confident90.5Very high67 Ų6752.6 Ų52.669%0.69129%0.293SS*.SBendtrans75.1-0.9-169.900000114S5S5-G8 PolarHBondContact O-N 2.75Å; S5-G8 PolarHBondContact OG-N 2.86Å
9S87.8Confident90.5Very high23 Ų2353.6 Ų53.616%0.16130%0.296CS..SBendtrans-90.3148.9178.2700000112.5S5 T7 E11 G12S5-S9 VanDerWaalsContact CB-O 3.24Å; S5-S9 WeakPolarHBondContact CB-O 3.45Å; S5-S9 PolarHBondContact OG-N 2.98Å; S5-S9 PolarHBondContact OG-O 3.48Å; T7-S9 PolarHBondContact O-N 2.76Å; T7-S9 PolarHBondContact OG1-N 2.8Å; T7-S9 PolarHBondContact OG1-OG 2.92Å; S9-E11 WeakPolarHBondContact CB-OE1 3.45Å; S9-E11 PolarHBondContact O-N 3.42Å; S9-E11 WeakPolarHBondContact OG-CG 3.08Å; S9-E11 PolarHBondContact OG-OE1 2.98Å; S9-G12 PolarHBondContact O-N 3.15Å
10P84.4Confident90.6Very high61 Ų6152.9 Ų52.940%0.39629%0.289SS..THydrogen-bonded Turntrans-61.6-25.7178.4-2635.7000114.8G12 Y14 S464 P470P10-G12 PolarHBondContact O-N 2.93Å; P10-Y14 WeakPolarHBondContact CA-OH 3.48Å; P10-Y14 VanDerWaalsContact O-CE2 3.27Å; P10-Y14 WeakPolarHBondContact O-CE2 2.83Å; P10-Y14 PolarHBondContact O-OH 3.43Å; P10-S464 VanDerWaalsContact CB-O 3.3Å; P10-S464 WeakPolarHBondContact CB-O 3.35Å; P10-P470 HydrophobicContact CB-CB 4.18Å; P10-P470 HydrophobicContact CB-CG 3.8Å
11E84.3Confident90.6Very high95 Ų9558 Ų5844%0.44431%0.311SS..THydrogen-bonded Turntrans-74.1-11.417970-119.9159.900113.6S9 K453 L454S9-E11 WeakPolarHBondContact CB-OE1 3.45Å; S9-E11 PolarHBondContact O-N 3.42Å; S9-E11 WeakPolarHBondContact OG-CG 3.08Å; S9-E11 PolarHBondContact OG-OE1 2.98Å; E11-K453 WeakPolarHBondContact O-CA 3.38Å; E11-L454 PolarHBondContact O-N 3.09Å
12G77.9Confident90.9Very high5 Ų554.1 Ų54.15%0.05230%0.299CS..  trans90.3-170.1179.300000113.5T7 S9 P10T7-G12 PolarHBondContact OG1-O 2.82Å; T7-G12 VanDerWaalsContact OG1-O 3.1Å; S9-G12 PolarHBondContact O-N 3.15Å; P10-G12 PolarHBondContact O-N 2.93Å
13P93.3Very high90.9Very high13 Ų1354 Ų548%0.08430%0.3CS..  cis-75.5139.68.911.9-7.6000115.2S5 T6 E451 I452 K453 W504S5-P13 CarbonylContact C-O 3.55Å; S5-P13 VanDerWaalsContact CA-O 3.29Å; S5-P13 WeakPolarHBondContact CA-O 3.38Å; T6-P13 PolarHBondContact N-O 2.73Å; T6-P13 WeakPolarHBondContact OG1-CD 3.47Å; T6-P13 WeakPolarHBondContact OG1-CG 3.19Å; T6-P13 PolarHBondContact OG1-O 2.72Å; P13-E451 HydrophobicContact CB-CB 4.19Å; P13-E451 HydrophobicContact CB-CG 4.38Å; P13-I452 CarbonylContact C-O 3.52Å; P13-I452 WeakPolarHBondContact CA-O 3.48Å; P13-K453 HydrophobicContact CB-CD 4.45Å; P13-K453 HydrophobicContact CB-CG 3.8Å; P13-K453 HydrophobicContact CG-CD 4.49Å; P13-K453 VanDerWaalsContact CG-CE 3.42Å; P13-K453 HydrophobicContact CG-CG 4.29Å; P13-W504 HydrophobicContact CB-CH2 3.98Å
14Y95.5Very high91Very high23 Ų2354.6 Ų54.69%0.0931%0.305CS..EExtended strand (participates in β ladder)trans-92.3132.9171.5-67.1-97.3000110.7R4 P10 E451 I452 V513R4-Y14 WeakPolarHBondContact O-CA 3.27Å; P10-Y14 WeakPolarHBondContact CA-OH 3.48Å; P10-Y14 VanDerWaalsContact O-CE2 3.27Å; P10-Y14 WeakPolarHBondContact O-CE2 2.83Å; P10-Y14 PolarHBondContact O-OH 3.43Å; Y14-E451 VanDerWaalsContact O-CA 3.29Å; Y14-E451 WeakPolarHBondContact O-CA 3.43Å; Y14-E451 WeakPolarHBondContact O-CB 3.42Å; Y14-I452 WeakPolarHBondContact CD2-O 3.2Å; Y14-I452 PolarHBondContact N-O 3.03Å; Y14-I452 PolarHBondContact O-N 2.68Å; Y14-V513 HydrophobicContact CD1-CG1 4.07Å; Y14-V513 HydrophobicContact CE1-CG1 3.65Å; Y14-V513 HydrophobicContact CE2-CG1 4.27Å; Y14-V513 HydrophobicContact CE2-CG2 4.36Å
15R96.3Very high91Very high39 Ų3953.9 Ų53.915%0.14731%0.309CS..EExtended strand (participates in β ladder)trans-130150.8177.1-157.9179.3-67.4174.6-10.5110.9A3 R4 T6 H19 F20 E21 L23 E451A3-R15 WeakPolarHBondContact CA-O 3.3Å; A3-R15 WeakPolarHBondContact CB-O 3.15Å; R4-R15 PolarHBondContact N-O 3.27Å; R4-R15 VanDerWaalsContact N-O 3.09Å; R4-R15 PolarHBondContact O-N 2.76Å; T6-R15 HydrophobicContact CG2-CB 3.99Å; R15-H19 WeakPolarHBondContact CD-O 3.37Å; R15-H19 WeakPolarHBondContact CG-O 3.37Å; R15-F20 HydrophobicContact CB-CD2 4.34Å; R15-F20 VanDerWaalsContact CD-O 3.29Å; R15-F20 WeakPolarHBondContact CD-O 3.5Å; R15-F20 PolarHBondContact NH1-O 3.19Å; R15-E21 VanDerWaalsContact NH1-C 3.26Å; R15-E21 PolarHBondContact NH1-O 2.86Å; R15-E21 VanDerWaalsContact NH1-O 3.08Å; R15-L23 HydrophobicContact CG-CD2 3.94Å; R15-E451 IonicContact CZ-OE2 2.68Å; R15-E451 IonicContact NE-OE2 3.53Å; R15-E451 PolarHBondContact NE-OE2 2.85Å; R15-E451 IonicContact NH2-OE2 2.78Å; R15-E451 PolarHBondContact NH2-OE2 3.49Å
16S95.2Very high91Very high0 Ų055.9 Ų55.90%032%0.317CS..EExtended strand (participates in β ladder)trans-54.6140.4172.8-177.80000110.6D18 H19 F20S16-D18 PolarHBondContact O-N 3.42Å; S16-D18 PolarHBondContact OG-N 2.96Å; S16-H19 CarbonylContact O-C 3.49Å; S16-H19 VanDerWaalsContact O-C 3.3Å; S16-H19 PolarHBondContact O-N 2.98Å; S16-F20 WeakPolarHBondContact O-CA 3.42Å; S16-F20 PolarHBondContact O-N 3.37Å
17V94Very high91Very high53 Ų5356.4 Ų56.432%0.32132%0.317SS..G310 helixtrans-67.8-26.4175.5-63.10000112.2M1 K2 H19M1-V17 HydrophobicContact CG-CG1 4.48Å; K2-V17 WeakPolarHBondContact O-CG2 3.35Å; K2-V17 PolarHBondContact O-N 3.48Å; V17-H19 VanDerWaalsContact C-N 3.27Å; V17-H19 PolarHBondContact O-N 2.87Å
18D89.9Confident91.2Very high99 Ų9954 Ų5453%0.52930%0.299SS..G310 helixtrans-73-23.1-179.5-56-44000112.4S16S16-D18 PolarHBondContact O-N 3.42Å; S16-D18 PolarHBondContact OG-N 2.96Å
19H91.5Very high91.5Very high73 Ų7359.6 Ų59.634%0.33831%0.308SS..G310 helixtrans-136.458.9178.8-8566.1000109.4R15 S16 V17 I448R15-H19 WeakPolarHBondContact CD-O 3.37Å; R15-H19 WeakPolarHBondContact CG-O 3.37Å; S16-H19 CarbonylContact O-C 3.49Å; S16-H19 VanDerWaalsContact O-C 3.3Å; S16-H19 PolarHBondContact O-N 2.98Å; V17-H19 VanDerWaalsContact C-N 3.27Å; V17-H19 PolarHBondContact O-N 2.87Å; H19-I448 HydrophobicContact CB-CB 3.83Å; H19-I448 HydrophobicContact CB-CG2 3.87Å
20F91.2Very high91.8Very high38 Ų3860.5 Ų60.517%0.16732%0.321CS..SBendtrans-77-33.1-173.2-168.7-105.9000113.4R4 T6 R15 S16R4-F20 HydrophobicContact CG-CD2 3.87Å; R4-F20 HydrophobicContact CG-CE2 3.26Å; R4-F20 HydrophobicContact CG-CZ 3.88Å; T6-F20 HydrophobicContact CG2-CE2 3.85Å; T6-F20 HydrophobicContact CG2-CZ 4.06Å; R15-F20 HydrophobicContact CB-CD2 4.34Å; R15-F20 VanDerWaalsContact CD-O 3.29Å; R15-F20 WeakPolarHBondContact CD-O 3.5Å; R15-F20 PolarHBondContact NH1-O 3.19Å; S16-F20 WeakPolarHBondContact O-CA 3.42Å; S16-F20 PolarHBondContact O-N 3.37Å
21E90.9Very high92.4Very high161 Ų16159.9 Ų59.975%0.75231%0.312SS*.SBendtrans-84-32.7-174.9-59.9-56.7141.600113R15R15-E21 VanDerWaalsContact NH1-C 3.26Å; R15-E21 PolarHBondContact NH1-O 2.86Å; R15-E21 VanDerWaalsContact NH1-O 3.08Å
22S92.6Very high92.9Very high76 Ų7657.6 Ų57.653%0.53130%0.302SS..SBendtrans-146.6154.1-177.762.40000112
23L95.2Very high93.9Very high27 Ų2757.4 Ų57.414%0.14130%0.301CS..  trans-86.9136.6175.6-59.6179.7000110R15 I448 E451R15-L23 HydrophobicContact CG-CD2 3.94Å; L23-I448 WeakPolarHBondContact CA-O 3.32Å; L23-E451 HydrophobicContact CD1-CG 4.3Å
24A94.9Very high94.1Very high14 Ų1456.8 Ų56.812%0.11630%0.297CS..  trans-72.3136.4175.700000111.2T255 I448 C449A24-T255 HydrophobicContact CB-CG2 3.63Å; A24-I448 HydrophobicContact CB-CB 4.32Å; A24-I448 HydrophobicContact CB-CD1 3.65Å; A24-I448 HydrophobicContact CB-CG1 3.9Å; A24-I448 PolarHBondContact N-O 3.36Å; A24-C449 WeakPolarHBondContact O-CA 3.35Å; A24-C449 WeakPolarHBondContact O-CB 3.27Å
25I95Very high94.2Very high106 Ų10655.9 Ų55.954%0.54429%0.293SS..  trans-114.3-29.7-177.353.5168.6000113.1A252 P479I25-A252 VanDerWaalsContact O-CA 3.27Å; I25-A252 WeakPolarHBondContact O-CA 3.35Å; I25-A252 PolarHBondContact O-N 3.01Å; I25-P479 HydrophobicContact CG2-CB 3.98Å; I25-P479 HydrophobicContact CG2-CG 3.88Å
26E94.1Very high94.3Very high60 Ų6057.8 Ų57.828%0.2830%0.302SS..  trans-154.1148.3179.464.9-175.1-159.500111.1E29 G30 I251 T255E26-E29 WeakPolarHBondContact OE1-CA 3.45Å; E26-G30 PolarHBondContact OE1-N 3.4Å; E26-I251 HydrophobicContact CB-CG2 3.95Å; E26-T255 VanDerWaalsContact CA-OG1 3.26Å; E26-T255 WeakPolarHBondContact CA-OG1 3.43Å
27D90.7Very high94.4Very high63 Ų6358 Ų5834%0.33730%0.304SS..SBendtrans-84.6-32.9174-77.4-39.1000112.9T255 Y291D27-T255 PolarHBondContact N-OG1 2.91Å; D27-T255 WeakPolarHBondContact OD1-CG2 3.48Å; D27-T255 VanDerWaalsContact OD2-CA 3.31Å; D27-T255 WeakPolarHBondContact OD2-CA 3.32Å; D27-Y291 VanDerWaalsContact CG-OH 3.32Å; D27-Y291 PolarHBondContact OD2-OH 2.96Å
28F94.4Very high94.6Very high37 Ų3755.6 Ų55.616%0.16229%0.289CS..SBendtrans-119.6113.7-173.8-56.8-81.8000109.6G30 K31 L37 H40 T290 Y291F28-G30 PolarHBondContact O-N 3.44Å; F28-K31 HydrophobicContact CB-CB 3.95Å; F28-K31 HydrophobicContact CB-CG 3.77Å; F28-K31 WeakPolarHBondContact O-CB 3.31Å; F28-K31 PolarHBondContact O-N 3.36Å; F28-L37 HydrophobicContact CB-CD2 4.36Å; F28-L37 HydrophobicContact CD2-CD2 3.64Å; F28-L37 HydrophobicContact CE2-CD2 4.43Å; F28-L37 HydrophobicContact CG-CD2 4.4Å; F28-H40 AromaticContact CD1-NE2 3.59Å; F28-H40 AromaticContact CE1-NE2 3.49Å; F28-H40 WeakPolarHBondContact CE1-NE2 3.26Å; F28-T290 HydrophobicContact CD2-CG2 4.13Å; F28-T290 HydrophobicContact CE2-CG2 3.52Å; F28-T290 HydrophobicContact CZ-CG2 4.27Å; F28-Y291 HydrophobicContact CE2-CE2 4.03Å; F28-Y291 HydrophobicContact CZ-CE1 4.07Å; F28-Y291 HydrophobicContact CZ-CE2 4.18Å; F28-Y291 AromaticContact CZ-CZ 3.9Å
29E93.4Very high95Very high186 Ų18654.5 Ų54.587%0.86928%0.28SS*.THydrogen-bonded Turntrans-53.7125.2-174.7-169.5177.9178.900112.1E26 K31E26-E29 WeakPolarHBondContact OE1-CA 3.45Å; E29-K31 PolarHBondContact O-N 2.98Å
30G93Very high95.3Very high42 Ų4252.6 Ų52.643%0.43327%0.271SS..THydrogen-bonded Turntrans75.24.4177.400000115E26 F28 D32 K36E26-G30 PolarHBondContact OE1-N 3.4Å; F28-G30 PolarHBondContact O-N 3.44Å; G30-D32 VanDerWaalsContact C-N 3.31Å; G30-D32 PolarHBondContact O-N 3.17Å; G30-K36 WeakPolarHBondContact O-CD 3.17Å
31K96.4Very high95.6Very high47 Ų4750.8 Ų50.820%0.20426%0.263CS..  trans-9756.5173.9-52.6-63.8-173160.70110.5F28 E29 T33 K36 L37 H40 E43F28-K31 HydrophobicContact CB-CB 3.95Å; F28-K31 HydrophobicContact CB-CG 3.77Å; F28-K31 WeakPolarHBondContact O-CB 3.31Å; F28-K31 PolarHBondContact O-N 3.36Å; E29-K31 PolarHBondContact O-N 2.98Å; K31-T33 VanDerWaalsContact C-N 3.28Å; K31-T33 PolarHBondContact O-N 3.28Å; K31-K36 HydrophobicContact CB-CB 4.22Å; K31-K36 HydrophobicContact CD-CB 4Å; K31-L37 HydrophobicContact CB-CD2 3.65Å; K31-L37 HydrophobicContact CB-CG 4.28Å; K31-H40 HydrophobicContact CD-CB 4.25Å; K31-H40 HydrophobicContact CG-CB 4.46Å; K31-E43 IonicContact NZ-OE2 2.77Å
32D95.4Very high95.9Very high47 Ų4743.9 Ų43.925%0.25123%0.232SC..  trans-82.59.4-173.468.3-17.1000115G30 K36 S224 I251G30-D32 VanDerWaalsContact C-N 3.31Å; G30-D32 PolarHBondContact O-N 3.17Å; D32-K36 WeakPolarHBondContact OD1-CD 3.24Å; D32-K36 WeakPolarHBondContact OD1-CE 3.41Å; D32-K36 IonicContact OD1-NZ 3.96Å; D32-K36 PolarHBondContact OD1-NZ 2.89Å; D32-S224 WeakPolarHBondContact O-CA 3.49Å; D32-S224 WeakPolarHBondContact O-CB 3.04Å; D32-I251 WeakPolarHBondContact O-CD1 3.26Å
33T98.2Very high96.2Very high2 Ų247.1 Ų47.11%0.01224%0.238CC..SBendtrans-134.6154.717272.90000111.6K31 D35 K36 L37 P222K31-T33 VanDerWaalsContact C-N 3.28Å; K31-T33 PolarHBondContact O-N 3.28Å; T33-D35 VanDerWaalsContact C-N 3.29Å; T33-D35 PolarHBondContact O-N 3.06Å; T33-K36 HydrophobicContact CG2-CD 4.47Å; T33-K36 WeakPolarHBondContact O-CB 3.45Å; T33-K36 PolarHBondContact O-N 3.2Å; T33-K36 VanDerWaalsContact O-N 3.09Å; T33-K36 VanDerWaalsContact OG1-CG 3.28Å; T33-K36 WeakPolarHBondContact OG1-CG 3.49Å; T33-K36 PolarHBondContact OG1-N 2.64Å; T33-L37 PolarHBondContact O-N 3.16Å; T33-P222 HydrophobicContact CG2-CB 4.49Å; T33-P222 HydrophobicContact CG2-CG 4.2Å
34L98.2Very high96.3Very high0 Ų053.6 Ų53.60%026%0.261CS..Hα-helixtrans-63.5-34.5-177.7-64.4170.1000112L37 F38 F126 A228 H247 L250 I251 M254 I286L34-L37 PolarHBondContact O-N 2.77Å; L34-F38 WeakPolarHBondContact O-CB 3.45Å; L34-F38 PolarHBondContact O-N 2.96Å; L34-F126 HydrophobicContact CB-CB 4.09Å; L34-F126 HydrophobicContact CB-CD2 3.72Å; L34-F126 HydrophobicContact CB-CE2 4.34Å; L34-F126 HydrophobicContact CB-CG 3.88Å; L34-F126 HydrophobicContact CD1-CD1 3.87Å; L34-F126 HydrophobicContact CD1-CD2 3.8Å; L34-F126 HydrophobicContact CD1-CE1 3.74Å; L34-F126 HydrophobicContact CD1-CE2 3.66Å; L34-F126 HydrophobicContact CD1-CG 3.92Å; L34-F126 HydrophobicContact CD1-CZ 3.64Å; L34-F126 HydrophobicContact CG-CD2 4.4Å; L34-A228 HydrophobicContact CD1-CB 4.11Å; L34-H247 WeakPolarHBondContact CG-ND1 2.97Å; L34-H247 PolarHBondContact N-ND1 3.27Å; L34-L250 HydrophobicContact CD1-CD1 3.89Å; L34-L250 HydrophobicContact CD2-CB 4.36Å; L34-I251 HydrophobicContact CD2-CG1 4.1Å; L34-M254 HydrophobicContact CD2-SD 4.44Å; L34-I286 HydrophobicContact CD2-CG2 4.17Å
35D97.8Very high96.5Very high4 Ų454 Ų542%0.02126%0.26CS..Hα-helixtrans-65.7-40.3172.5174.867.6000111.9T33 L37 F38 K39 R127 P222T33-D35 VanDerWaalsContact C-N 3.29Å; T33-D35 PolarHBondContact O-N 3.06Å; D35-L37 PolarHBondContact O-N 3.33Å; D35-F38 PolarHBondContact O-N 2.85Å; D35-K39 WeakPolarHBondContact O-CB 3.27Å; D35-K39 WeakPolarHBondContact O-CG 3.34Å; D35-K39 PolarHBondContact O-N 3.21Å; D35-K39 IonicContact OD1-NZ 2.75Å; D35-K39 VanDerWaalsContact OD2-CE 3.25Å; D35-K39 WeakPolarHBondContact OD2-CE 3.36Å; D35-K39 IonicContact OD2-NZ 2.89Å; D35-K39 PolarHBondContact OD2-NZ 3.37Å; D35-R127 WeakPolarHBondContact OD1-CB 3.09Å; D35-R127 IonicContact OD1-CZ 3.18Å; D35-R127 IonicContact OD1-NE 3.44Å; D35-R127 PolarHBondContact OD1-NE 2.89Å; D35-R127 IonicContact OD1-NH2 3.7Å; D35-R127 PolarHBondContact OD1-NH2 3.33Å; D35-P222 HydrophobicContact CB-CG 4.49Å
36K98.1Very high96.6Very high78 Ų7849.2 Ų49.234%0.33924%0.237SC..Hα-helixtrans-63.9-39.7176.3-73.8175.3-179.4-177.50112G30 K31 D32 T33 H40G30-K36 WeakPolarHBondContact O-CD 3.17Å; K31-K36 HydrophobicContact CB-CB 4.22Å; K31-K36 HydrophobicContact CD-CB 4Å; D32-K36 WeakPolarHBondContact OD1-CD 3.24Å; D32-K36 WeakPolarHBondContact OD1-CE 3.41Å; D32-K36 IonicContact OD1-NZ 3.96Å; D32-K36 PolarHBondContact OD1-NZ 2.89Å; T33-K36 HydrophobicContact CG2-CD 4.47Å; T33-K36 WeakPolarHBondContact O-CB 3.45Å; T33-K36 PolarHBondContact O-N 3.2Å; T33-K36 VanDerWaalsContact O-N 3.09Å; T33-K36 VanDerWaalsContact OG1-CG 3.28Å; T33-K36 WeakPolarHBondContact OG1-CG 3.49Å; T33-K36 PolarHBondContact OG1-N 2.64Å; K36-H40 WeakPolarHBondContact O-CB 3.37Å; K36-H40 PolarHBondContact O-N 3.11Å
37L97.6Very high96.8Very high6 Ų652 Ų523%0.03126%0.26CS..Hα-helixtrans-64.5-43.7173.5-71.6178.9000111.9F28 K31 T33 L34 D35 H40 A41 I251 M254 T290F28-L37 HydrophobicContact CB-CD2 4.36Å; F28-L37 HydrophobicContact CD2-CD2 3.64Å; F28-L37 HydrophobicContact CE2-CD2 4.43Å; F28-L37 HydrophobicContact CG-CD2 4.4Å; K31-L37 HydrophobicContact CB-CD2 3.65Å; K31-L37 HydrophobicContact CB-CG 4.28Å; T33-L37 PolarHBondContact O-N 3.16Å; L34-L37 PolarHBondContact O-N 2.77Å; D35-L37 PolarHBondContact O-N 3.33Å; L37-H40 WeakPolarHBondContact O-CB 3.42Å; L37-H40 PolarHBondContact O-N 2.76Å; L37-A41 PolarHBondContact O-N 2.92Å; L37-I251 HydrophobicContact CD1-CD1 4.07Å; L37-I251 HydrophobicContact CD1-CG1 3.76Å; L37-I251 HydrophobicContact CD1-CG2 4.38Å; L37-M254 HydrophobicContact CD1-CE 4.35Å; L37-T290 HydrophobicContact CB-CG2 4.18Å; L37-T290 HydrophobicContact CD2-CG2 3.99Å; L37-T290 HydrophobicContact CG-CG2 4.5Å
38F98.2Very high97.1Very high2 Ų250.8 Ų50.81%0.00926%0.258CS..Hα-helixtrans-62.8-45.6177179.5-123000111.8L34 D35 H40 A41 V42 L86 D87 V90 Q123 V289L34-F38 WeakPolarHBondContact O-CB 3.45Å; L34-F38 PolarHBondContact O-N 2.96Å; D35-F38 PolarHBondContact O-N 2.85Å; F38-H40 VanDerWaalsContact C-N 3.33Å; F38-H40 PolarHBondContact O-N 3.47Å; F38-A41 WeakPolarHBondContact O-CB 3.34Å; F38-A41 PolarHBondContact O-N 2.78Å; F38-A41 VanDerWaalsContact O-N 3.08Å; F38-V42 HydrophobicContact CD2-CG2 4.29Å; F38-V42 HydrophobicContact CE1-CG2 4.1Å; F38-V42 HydrophobicContact CE2-CG2 3.81Å; F38-V42 HydrophobicContact CZ-CG2 3.68Å; F38-V42 WeakPolarHBondContact O-CG2 3.42Å; F38-V42 PolarHBondContact O-N 3.19Å; F38-L86 HydrophobicContact CE2-CD2 3.7Å; F38-L86 HydrophobicContact CE2-CG 4.13Å; F38-L86 HydrophobicContact CZ-CB 4.47Å; F38-L86 HydrophobicContact CZ-CD2 3.89Å; F38-L86 HydrophobicContact CZ-CG 3.77Å; F38-D87 HydrophobicContact CE1-CB 4.43Å; F38-D87 HydrophobicContact CZ-CB 4.38Å; F38-V90 HydrophobicContact CE1-CB 4.31Å; F38-V90 HydrophobicContact CE1-CG1 4.24Å; F38-V90 HydrophobicContact CE1-CG2 4.17Å; F38-V90 HydrophobicContact CZ-CG2 4.42Å; F38-Q123 HydrophobicContact CD1-CB 4.43Å; F38-Q123 HydrophobicContact CD2-CG 4.5Å; F38-Q123 HydrophobicContact CG-CG 4.42Å; F38-V289 HydrophobicContact CD2-CG1 3.69Å; F38-V289 HydrophobicContact CE2-CG1 4.01Å
39K97.9Very high97.3Very high76 Ų7652.1 Ų52.133%0.3327%0.267SS..Hα-helixtrans-58.8-41.9173.5-76.5173.5175.4159.50112.5D35 A41 V42 E43D35-K39 WeakPolarHBondContact O-CB 3.27Å; D35-K39 WeakPolarHBondContact O-CG 3.34Å; D35-K39 PolarHBondContact O-N 3.21Å; D35-K39 IonicContact OD1-NZ 2.75Å; D35-K39 VanDerWaalsContact OD2-CE 3.25Å; D35-K39 WeakPolarHBondContact OD2-CE 3.36Å; D35-K39 IonicContact OD2-NZ 2.89Å; D35-K39 PolarHBondContact OD2-NZ 3.37Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 2.81Å; K39-V42 PolarHBondContact O-N 3.18Å; K39-E43 WeakPolarHBondContact O-CB 3.42Å; K39-E43 VanDerWaalsContact O-CG 3.26Å; K39-E43 WeakPolarHBondContact O-CG 3.26Å; K39-E43 PolarHBondContact O-N 3.5Å
40H97.6Very high97.6Very high33 Ų3343.2 Ų43.215%0.15323%0.226CC..Hα-helixtrans-56.7-42.6173.7174.770.3000112F28 K31 K36 L37 F38 R44F28-H40 AromaticContact CD1-NE2 3.59Å; F28-H40 AromaticContact CE1-NE2 3.49Å; F28-H40 WeakPolarHBondContact CE1-NE2 3.26Å; K31-H40 HydrophobicContact CD-CB 4.25Å; K31-H40 HydrophobicContact CG-CB 4.46Å; K36-H40 WeakPolarHBondContact O-CB 3.37Å; K36-H40 PolarHBondContact O-N 3.11Å; L37-H40 WeakPolarHBondContact O-CB 3.42Å; L37-H40 PolarHBondContact O-N 2.76Å; F38-H40 VanDerWaalsContact C-N 3.33Å; F38-H40 PolarHBondContact O-N 3.47Å; H40-R44 WeakPolarHBondContact O-CB 3.47Å; H40-R44 PolarHBondContact O-N 3.37Å
41A98Very high97.8Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-67-42.9176.900000112.3L37 F38 K39 R44 F45 Y83 V289L37-A41 PolarHBondContact O-N 2.92Å; F38-A41 WeakPolarHBondContact O-CB 3.34Å; F38-A41 PolarHBondContact O-N 2.78Å; F38-A41 VanDerWaalsContact O-N 3.08Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 2.81Å; A41-R44 PolarHBondContact O-N 3.41Å; A41-F45 HydrophobicContact CB-CD2 4.28Å; A41-F45 WeakPolarHBondContact O-CB 3.39Å; A41-F45 VanDerWaalsContact O-CD2 3.26Å; A41-F45 WeakPolarHBondContact O-CD2 3.11Å; A41-F45 PolarHBondContact O-N 3.35Å; A41-Y83 HydrophobicContact CB-CD1 4.19Å; A41-Y83 HydrophobicContact CB-CE1 3.76Å; A41-V289 VanDerWaalsContact CB-O 3.25Å; A41-V289 WeakPolarHBondContact CB-O 3.38Å
42V98.3Very high97.9Very high16 Ų1639 Ų3910%0.09720%0.196CC..Hα-helixtrans-61.6-46.7177.21760000111.1F38 K39 R44 F45 G46 Y83 D87F38-V42 HydrophobicContact CD2-CG2 4.29Å; F38-V42 HydrophobicContact CE1-CG2 4.1Å; F38-V42 HydrophobicContact CE2-CG2 3.81Å; F38-V42 HydrophobicContact CZ-CG2 3.68Å; F38-V42 WeakPolarHBondContact O-CG2 3.42Å; F38-V42 PolarHBondContact O-N 3.19Å; K39-V42 PolarHBondContact O-N 3.18Å; V42-R44 PolarHBondContact O-N 3.44Å; V42-F45 PolarHBondContact O-N 3.07Å; V42-G46 VanDerWaalsContact O-CA 3.24Å; V42-G46 WeakPolarHBondContact O-CA 3.5Å; V42-G46 PolarHBondContact O-N 3.05Å; V42-Y83 HydrophobicContact CG2-CD1 4.36Å; V42-D87 HydrophobicContact CG1-CB 3.88Å; V42-D87 HydrophobicContact CG2-CB 3.86Å
43E98Very high97.9Very high144 Ų14439.5 Ų39.567%0.67320%0.2SC*.Hα-helixtrans-56.6-35176.9-74165.2-177.300112.3K31 K39K31-E43 IonicContact NZ-OE2 2.77Å; K39-E43 WeakPolarHBondContact O-CB 3.42Å; K39-E43 VanDerWaalsContact O-CG 3.26Å; K39-E43 WeakPolarHBondContact O-CG 3.26Å; K39-E43 PolarHBondContact O-N 3.5Å
44R97.8Very high97.7Very high162 Ų16240.4 Ų40.461%0.61120%0.204SC*.Hα-helixtrans-92.3-32.4-174.6-168.8172.1179179.2-0.1114H40 A41 V42H40-R44 WeakPolarHBondContact O-CB 3.47Å; H40-R44 PolarHBondContact O-N 3.37Å; A41-R44 PolarHBondContact O-N 3.41Å; V42-R44 PolarHBondContact O-N 3.44Å
45F98.1Very high97.2Very high24 Ų2444.1 Ų44.111%0.10522%0.221CC..Hα-helixtrans-126.311.7-168.4-51.3-67000113.9A41 V42 A48 Y83 P266 Y291 G292A41-F45 HydrophobicContact CB-CD2 4.28Å; A41-F45 WeakPolarHBondContact O-CB 3.39Å; A41-F45 VanDerWaalsContact O-CD2 3.26Å; A41-F45 WeakPolarHBondContact O-CD2 3.11Å; A41-F45 PolarHBondContact O-N 3.35Å; V42-F45 PolarHBondContact O-N 3.07Å; F45-A48 HydrophobicContact CB-CB 4.41Å; F45-A48 VanDerWaalsContact O-CB 3.24Å; F45-A48 WeakPolarHBondContact O-CB 3.43Å; F45-A48 PolarHBondContact O-N 3.2Å; F45-Y83 HydrophobicContact CB-CD2 3.86Å; F45-Y83 HydrophobicContact CB-CE2 4Å; F45-Y83 HydrophobicContact CB-CG 4.2Å; F45-P266 HydrophobicContact CD1-CB 4.4Å; F45-P266 HydrophobicContact CE1-CB 4.22Å; F45-P266 HydrophobicContact CE1-CG 4.01Å; F45-Y291 WeakPolarHBondContact CZ-O 3.46Å; F45-G292 VanDerWaalsContact CE2-N 3.35Å
46G97.2Very high96.8Very high5 Ų547.6 Ų47.65%0.05224%0.242CC..THydrogen-bonded Turntrans-30.8-57.9-17300000118V42 A48 Y83 N84V42-G46 VanDerWaalsContact O-CA 3.24Å; V42-G46 WeakPolarHBondContact O-CA 3.5Å; V42-G46 PolarHBondContact O-N 3.05Å; G46-A48 VanDerWaalsContact C-N 3.34Å; G46-A48 PolarHBondContact O-N 2.97Å; G46-Y83 CarbonylContact O-C 3.54Å; G46-Y83 WeakPolarHBondContact O-CB 3.31Å; G46-Y83 PolarHBondContact O-N 2.95Å; G46-N84 VanDerWaalsContact C-CG 3.42Å; G46-N84 WeakPolarHBondContact CA-OD1 3.34Å; G46-N84 VanDerWaalsContact O-CG 3.28Å; G46-N84 PolarHBondContact O-N 3.32Å
47P98Very high96.3Very high117 Ų11748.8 Ų48.876%0.7625%0.252SS*.THydrogen-bonded Turntrans-80.8-6.7-177.532-35.7000114.9
48A98.1Very high95.7Very high38 Ų3850.5 Ų50.531%0.31426%0.264SS..SBendtrans-76.8153.3-178.400000111.9F45 G46 C50 S82 Y83F45-A48 HydrophobicContact CB-CB 4.41Å; F45-A48 VanDerWaalsContact O-CB 3.24Å; F45-A48 WeakPolarHBondContact O-CB 3.43Å; F45-A48 PolarHBondContact O-N 3.2Å; G46-A48 VanDerWaalsContact C-N 3.34Å; G46-A48 PolarHBondContact O-N 2.97Å; A48-C50 PolarHBondContact O-N 3.07Å; A48-S82 CarbonylContact O-C 3.6Å; A48-S82 WeakPolarHBondContact O-CA 3.29Å; A48-S82 WeakPolarHBondContact O-CB 3.46Å; A48-Y83 HydrophobicContact CB-CD2 4.36Å; A48-Y83 WeakPolarHBondContact O-CD2 3.33Å; A48-Y83 PolarHBondContact O-N 2.92Å
49D98.3Very high95.1Very high65 Ų6555.5 Ų55.535%0.34829%0.287SS..EExtended strand (participates in β ladder)trans-59.7130.4173.3-66.8-19.1000110.7W80 R294D49-W80 HydrophobicContact CB-CB 4.18Å; D49-W80 HydrophobicContact CB-CD2 3.95Å; D49-W80 HydrophobicContact CB-CE3 3.78Å; D49-W80 HydrophobicContact CB-CG 4.14Å; D49-W80 HydrophobicContact CB-CZ3 4.49Å; D49-R294 HydrophobicContact CB-CB 4.13Å; D49-R294 VanDerWaalsContact O-CB 3.23Å; D49-R294 WeakPolarHBondContact O-CB 3.45Å; D49-R294 IonicContact OD2-NH1 3.82Å
50C98.4Very high94.5Very high0 Ų055.7 Ų55.70%029%0.289CS..EExtended strand (participates in β ladder)trans-113.7-67.3176.4-170.50000111.6A48 L81 Y83 L86 R294 I295A48-C50 PolarHBondContact O-N 3.07Å; C50-L81 WeakPolarHBondContact CA-O 3.32Å; C50-L81 WeakPolarHBondContact CB-O 3.49Å; C50-L81 PolarHBondContact N-O 3.09Å; C50-Y83 HydrophobicContact CB-CD1 4.32Å; C50-Y83 HydrophobicContact CB-CD2 3.6Å; C50-Y83 HydrophobicContact CB-CE1 4.36Å; C50-Y83 HydrophobicContact CB-CE2 3.62Å; C50-Y83 HydrophobicContact CB-CG 3.95Å; C50-Y83 VanDerWaalsContact SG-CZ 3.56Å; C50-L86 HydrophobicContact CB-CD2 4.27Å; C50-L86 VanDerWaalsContact SG-CD2 3.55Å; C50-R294 CarbonylContact O-C 3.53Å; C50-R294 WeakPolarHBondContact O-CA 3.45Å; C50-I295 PolarHBondContact O-N 3.26Å
51L98.5Very high93.8Very high1 Ų159.3 Ų59.31%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-112.4125.3-174.7-57.5-174.3000111W80 L81 L86 A116 M119 I120 I295 Y297L51-W80 CarbonylContact O-C 3.4Å; L51-W80 WeakPolarHBondContact O-CA 3.37Å; L51-L81 PolarHBondContact N-O 3.37Å; L51-L81 VanDerWaalsContact N-O 3.16Å; L51-L81 PolarHBondContact O-N 3.17Å; L51-L86 HydrophobicContact CD1-CD1 3.7Å; L51-L86 HydrophobicContact CD1-CD2 3.99Å; L51-L86 HydrophobicContact CD1-CG 4.49Å; L51-L86 HydrophobicContact CG-CD1 4.49Å; L51-L86 HydrophobicContact CG-CD2 4.05Å; L51-A116 HydrophobicContact CB-CB 4.25Å; L51-A116 HydrophobicContact CD1-CB 4.11Å; L51-M119 HydrophobicContact CD1-CB 4.23Å; L51-M119 HydrophobicContact CD1-CG 4.36Å; L51-I120 HydrophobicContact CD1-CG1 4.35Å; L51-I295 HydrophobicContact CD2-CB 4.18Å; L51-I295 HydrophobicContact CD2-CD1 4.14Å; L51-Y297 HydrophobicContact CB-CE2 4.2Å; L51-Y297 HydrophobicContact CD2-CE2 4.1Å; L51-Y297 HydrophobicContact CG-CE2 4.5Å
52G97.8Very high92.7Very high0 Ų063.6 Ų63.60%033%0.33CS..EExtended strand (participates in β ladder)trans-116.7125.6-177.300000112.3K79 I295 Y297G52-K79 CarbonylContact C-O 3.55Å; G52-K79 WeakPolarHBondContact CA-O 3.25Å; G52-I295 PolarHBondContact N-O 3.01Å; G52-Y297 PolarHBondContact O-N 2.95Å
53T95.9Very high91.6Very high56 Ų5668.8 Ų68.834%0.34436%0.356SS..EExtended strand (participates in β ladder)trans-118.2139.7175.2-59.30000110.7Y78 K79T53-Y78 WeakPolarHBondContact O-CA 3.43Å; T53-K79 PolarHBondContact N-O 3.41Å; T53-K79 PolarHBondContact O-N 3.36Å
54R92.9Very high90.2Very high22 Ų2265.3 Ų65.38%0.08334%0.34CS..EExtended strand (participates in β ladder)trans-72.7132.1175.3-75-78.4-157.7172.6-3.1111.3L75 G76 Y78 G316 D317 V320R54-L75 HydrophobicContact CB-CD1 4.4Å; R54-L75 HydrophobicContact CB-CD2 4.47Å; R54-L75 HydrophobicContact CG-CD1 4.31Å; R54-G76 PolarHBondContact NH1-O 3.45Å; R54-Y78 HydrophobicContact CG-CD1 4.31Å; R54-Y78 HydrophobicContact CG-CE1 3.82Å; R54-Y78 HydrophobicContact CG-CE2 4.05Å; R54-G316 VanDerWaalsContact NH2-C 3.3Å; R54-G316 PolarHBondContact NH2-O 3.35Å; R54-D317 VanDerWaalsContact CG-OD1 3.32Å; R54-D317 WeakPolarHBondContact CG-OD1 3.29Å; R54-D317 IonicContact CZ-OD1 3.35Å; R54-D317 IonicContact NE-OD1 3.61Å; R54-D317 PolarHBondContact NE-OD1 3.33Å; R54-D317 PolarHBondContact NH2-O 3.18Å; R54-D317 VanDerWaalsContact NH2-O 3.11Å; R54-D317 IonicContact NH2-OD1 3.02Å; R54-V320 VanDerWaalsContact NH1-CB 3.34Å
55E89.2Confident88.3Confident77 Ų7764.5 Ų64.536%0.3636%0.355SS..EExtended strand (participates in β ladder)trans-70.3130.9166.7-176.2169.3-131.800111L57 L75 G76 E77 K79E55-L57 HydrophobicContact CG-CD2 4.04Å; E55-L75 CarbonylContact O-C 3.59Å; E55-L75 WeakPolarHBondContact O-CA 3.49Å; E55-G76 PolarHBondContact O-N 3.05Å; E55-E77 PolarHBondContact N-O 3.2Å; E55-K79 WeakPolarHBondContact OE1-CE 3.45Å; E55-K79 IonicContact OE1-NZ 2.72Å; E55-K79 PolarHBondContact OE1-NZ 2.85Å; E55-K79 IonicContact OE2-NZ 4Å
56V88.4Confident86.5Confident77 Ų7768.2 Ų68.247%0.46738%0.376SS..EExtended strand (participates in β ladder)trans-90106.5172.1-177.20000108.2E59 L73 L75V56-E59 HydrophobicContact CG1-CG 4.06Å; V56-L73 HydrophobicContact CG1-CD2 4.22Å; V56-L75 HydrophobicContact CB-CD2 4.43Å; V56-L75 HydrophobicContact CG2-CD2 3.88Å
57L87.8Confident84.8Confident104 Ų10470.5 Ų70.555%0.54540%0.4SS..EExtended strand (participates in β ladder)trans-79.5-40.3-177.6-63.5175.9000112E55 I74E55-L57 HydrophobicContact CG-CD2 4.04Å; L57-I74 WeakPolarHBondContact CB-O 3.39Å; L57-I74 HydrophobicContact CD1-CG2 4.44Å; L57-I74 PolarHBondContact N-O 3.37Å
58S85.8Confident83.2Confident42 Ų4271.6 Ų71.629%0.29439%0.393SS..EExtended strand (participates in β ladder)trans-158.2150.3176.567.40000112.4I74S58-I74 PolarHBondContact N-O 3.03Å; S58-I74 PolarHBondContact O-N 3.46Å; S58-I74 WeakPolarHBondContact OG-CB 3.35Å; S58-I74 VanDerWaalsContact OG-CD1 3.3Å; S58-I74 WeakPolarHBondContact OG-CD1 3.36Å; S58-I74 WeakPolarHBondContact OG-CG1 3.3Å
59E85.3Confident81.9Confident106 Ų10673.6 Ų73.650%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-112.5128.9170-54.3-168.7174.400109.6V56 K72 L73V56-E59 HydrophobicContact CG1-CG 4.06Å; E59-K72 CarbonylContact C-O 3.57Å; E59-K72 WeakPolarHBondContact CA-O 3.37Å; E59-L73 HydrophobicContact CB-CD2 4.36Å; E59-L73 HydrophobicContact CG-CD2 3.69Å
60E84.5Confident80.6Confident80 Ų8074.1 Ų74.137%0.37440%0.4SS..EExtended strand (participates in β ladder)trans-120.8136.1176.6-68.9178.6-165.700110.2K72 K311E60-K72 HydrophobicContact CB-CB 4.48Å; E60-K72 PolarHBondContact N-O 2.96Å; E60-K72 PolarHBondContact O-N 3.22Å; E60-K311 IonicContact OE1-NZ 2.66Å; E60-K311 PolarHBondContact OE1-NZ 2.98Å; E60-K311 WeakPolarHBondContact OE2-CD 3.36Å; E60-K311 WeakPolarHBondContact OE2-CE 3.49Å; E60-K311 IonicContact OE2-NZ 2.75Å; E60-K311 PolarHBondContact OE2-NZ 3.46Å
61N82.6Confident79.7Confident109 Ų10979.6 Ų79.658%0.58342%0.424SS*.EExtended strand (participates in β ladder)trans-89.5112.5176-75-29.1000109.8V69N61-V69 HydrophobicContact CB-CG1 3.57Å
62E76.1Confident79.1Confident91 Ų9181 Ų8143%0.42543%0.43SS..EExtended strand (participates in β ladder)trans-96.6110.1172.1-169.2177.5177.400109.1Q64 F70 K72E62-Q64 PolarHBondContact O-N 2.97Å; E62-F70 PolarHBondContact N-O 3.09Å; E62-F70 PolarHBondContact O-N 2.98Å; E62-K72 HydrophobicContact CB-CG 4.04Å; E62-K72 WeakPolarHBondContact OE2-CE 3.38Å; E62-K72 IonicContact OE2-NZ 3.88Å
63I75.2Confident78.6Confident125 Ų12582 Ų8264%0.64144%0.435SS*.EExtended strand (participates in β ladder)trans-79.4116.3176.1-51.3-179.8000108.1V69I63-V69 HydrophobicContact CG1-CG2 4.33Å
64Q69.3Low78.2Confident70 Ų7081.1 Ų81.133%0.32743%0.429SS..  trans-74.1159.9174.4-73.6-164.623.700111.5E62 N66 G67 K68 F70E62-Q64 PolarHBondContact O-N 2.97Å; Q64-N66 WeakPolarHBondContact CB-OD1 3.37Å; Q64-N66 PolarHBondContact O-N 3.26Å; Q64-G67 PolarHBondContact O-N 3.43Å; Q64-K68 WeakPolarHBondContact CB-O 3.49Å; Q64-K68 PolarHBondContact N-O 3.3Å; Q64-F70 HydrophobicContact CG-CD2 4.03Å
65P57.6Low78.1Confident145 Ų14581.2 Ų81.294%0.94243%0.43SS*.THydrogen-bonded Turntrans-57.2-19178.2-25.134.2000114.8G67P65-G67 VanDerWaalsContact C-N 3.34Å
66N59.5Low78.2Confident102 Ų10278 Ų7855%0.54542%0.418SS..THydrogen-bonded Turntrans-88.86.5175.663.67.2000113.6Q64 K68Q64-N66 WeakPolarHBondContact CB-OD1 3.37Å; Q64-N66 PolarHBondContact O-N 3.26Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 3.45Å; N66-K68 WeakPolarHBondContact OD1-CB 3.25Å; N66-K68 PolarHBondContact OD1-N 3.45Å
67G61.2Low78.5Confident54 Ų5480.2 Ų80.256%0.55742%0.424SS*.SBendtrans80-4.7-17800000115.2Q64 P65 V69Q64-G67 PolarHBondContact O-N 3.43Å; P65-G67 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 3.13Å
68K64.6Low78.9Confident139 Ų13976.2 Ų76.260%0.60440%0.401SS*.PPolyproline II helixtrans-73.1129.1175.8-71.6-172.2174.7-177.80110.5Q64 N66 F70Q64-K68 WeakPolarHBondContact CB-O 3.49Å; Q64-K68 PolarHBondContact N-O 3.3Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 3.45Å; N66-K68 WeakPolarHBondContact OD1-CB 3.25Å; N66-K68 PolarHBondContact OD1-N 3.45Å; K68-F70 HydrophobicContact CB-CD2 4.43Å; K68-F70 HydrophobicContact CB-CE2 4.29Å
69V70.8Confident79.4Confident81 Ų8180.1 Ų80.149%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-86.1119.4174.3-174.40000109.1N61 I63 G67N61-V69 HydrophobicContact CB-CG1 3.57Å; I63-V69 HydrophobicContact CG1-CG2 4.33Å; G67-V69 PolarHBondContact O-N 3.13Å
70F71.7Confident80Confident75 Ų7577.9 Ų77.933%0.32940%0.4SS..EExtended strand (participates in β ladder)trans-103.8124.2170.9-91.4-101.4000110E62 Q64 K68 K72E62-F70 PolarHBondContact N-O 3.09Å; E62-F70 PolarHBondContact O-N 2.98Å; Q64-F70 HydrophobicContact CG-CD2 4.03Å; K68-F70 HydrophobicContact CB-CD2 4.43Å; K68-F70 HydrophobicContact CB-CE2 4.29Å; F70-K72 PolarHBondContact O-N 2.67Å
71K80.1Confident80.7Confident115 Ų11576.7 Ų76.750%0.540%0.396SS..EExtended strand (participates in β ladder)trans-73.6122.2172.3-67.3-174179-173.60110.1
72K85.1Confident81.4Confident30 Ų3072.3 Ų72.313%0.1337%0.374CS..EExtended strand (participates in β ladder)trans-104.8133.2172.3-65.4-59.9-165.3172.50109.5E59 E60 E62 F70 T308 R309 K311E59-K72 CarbonylContact C-O 3.57Å; E59-K72 WeakPolarHBondContact CA-O 3.37Å; E60-K72 HydrophobicContact CB-CB 4.48Å; E60-K72 PolarHBondContact N-O 2.96Å; E60-K72 PolarHBondContact O-N 3.22Å; E62-K72 HydrophobicContact CB-CG 4.04Å; E62-K72 WeakPolarHBondContact OE2-CE 3.38Å; E62-K72 IonicContact OE2-NZ 3.88Å; F70-K72 PolarHBondContact O-N 2.67Å; K72-T308 PolarHBondContact NZ-O 3.32Å; K72-R309 CarbonylContact C-O 3.59Å; K72-R309 WeakPolarHBondContact CA-O 3.14Å; K72-K311 HydrophobicContact CB-CB 4.35Å
73L87.1Confident82.5Confident21 Ų2168 Ų6811%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-105.7138.8-179.2-56.8178000109.6V56 E59 L75 T302 R309 K311V56-L73 HydrophobicContact CG1-CD2 4.22Å; E59-L73 HydrophobicContact CB-CD2 4.36Å; E59-L73 HydrophobicContact CG-CD2 3.69Å; L73-L75 HydrophobicContact CB-CD2 4.04Å; L73-L75 HydrophobicContact CB-CG 4.27Å; L73-L75 HydrophobicContact CD1-CD2 4.35Å; L73-T302 HydrophobicContact CD1-CG2 4.22Å; L73-R309 HydrophobicContact CD1-CB 4.33Å; L73-R309 HydrophobicContact CG-CB 4.47Å; L73-R309 PolarHBondContact N-O 3.29Å; L73-K311 PolarHBondContact O-N 3.38Å; L73-K311 VanDerWaalsContact O-N 3.15Å
74I88.6Confident83.6Confident39 Ų3965.7 Ų65.720%0.234%0.342CS..EExtended strand (participates in β ladder)trans-106.6114.8159.8-53-174.6000106.3L57 S58 K311L57-I74 WeakPolarHBondContact CB-O 3.39Å; L57-I74 HydrophobicContact CD1-CG2 4.44Å; L57-I74 PolarHBondContact N-O 3.37Å; S58-I74 PolarHBondContact N-O 3.03Å; S58-I74 PolarHBondContact O-N 3.46Å; S58-I74 WeakPolarHBondContact OG-CB 3.35Å; S58-I74 VanDerWaalsContact OG-CD1 3.3Å; S58-I74 WeakPolarHBondContact OG-CD1 3.36Å; S58-I74 WeakPolarHBondContact OG-CG1 3.3Å; I74-K311 HydrophobicContact CD1-CD 3.6Å; I74-K311 HydrophobicContact CG1-CB 4.11Å; I74-K311 HydrophobicContact CG1-CD 3.78Å
75L90.3Very high85Confident23 Ų2367 Ų6712%0.1235%0.349CS..EExtended strand (participates in β ladder)trans-101.9140.3-177.3-58.8178.8000110.4R54 E55 V56 L73 T302 I310R54-L75 HydrophobicContact CB-CD1 4.4Å; R54-L75 HydrophobicContact CB-CD2 4.47Å; R54-L75 HydrophobicContact CG-CD1 4.31Å; E55-L75 CarbonylContact O-C 3.59Å; E55-L75 WeakPolarHBondContact O-CA 3.49Å; V56-L75 HydrophobicContact CB-CD2 4.43Å; V56-L75 HydrophobicContact CG2-CD2 3.88Å; L73-L75 HydrophobicContact CB-CD2 4.04Å; L73-L75 HydrophobicContact CB-CG 4.27Å; L73-L75 HydrophobicContact CD1-CD2 4.35Å; L75-T302 HydrophobicContact CD1-CG2 4.27Å; L75-I310 HydrophobicContact CD1-CD1 3.76Å; L75-I310 HydrophobicContact CG-CD1 4.29Å
76G91.4Very high87Confident10 Ų1060.1 Ų60.110%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-87.3-153.8173.500000112.5R54 E55R54-G76 PolarHBondContact NH1-O 3.45Å; E55-G76 PolarHBondContact O-N 3.05Å
77E94.6Very high88.8Confident124 Ų12457.1 Ų57.158%0.57929%0.288SS*.EExtended strand (participates in β ladder)trans-77.4168.7177-64.4-61.4141.700111.7E55 V320E55-E77 PolarHBondContact N-O 3.2Å; E77-V320 WeakPolarHBondContact OE2-CG1 3.15Å
78Y96.1Very high90.6Very high20 Ų2057.5 Ų57.58%0.07828%0.282CS..EExtended strand (participates in β ladder)trans-77.6128.9172.1-82-89.8000110.2T53 R54 W80 Y297 D317 V320 L321T53-Y78 WeakPolarHBondContact O-CA 3.43Å; R54-Y78 HydrophobicContact CG-CD1 4.31Å; R54-Y78 HydrophobicContact CG-CE1 3.82Å; R54-Y78 HydrophobicContact CG-CE2 4.05Å; Y78-W80 HydrophobicContact CD1-CZ2 4.46Å; Y78-W80 HydrophobicContact CG-CZ2 4.24Å; Y78-Y297 WeakPolarHBondContact CE1-O 3.33Å; Y78-Y297 PolarHBondContact OH-O 3.26Å; Y78-Y297 VanDerWaalsContact OH-O 3.07Å; Y78-D317 PolarHBondContact OH-OD1 2.95Å; Y78-V320 HydrophobicContact CD2-CG1 4.35Å; Y78-L321 HydrophobicContact CD2-CB 4.38Å; Y78-L321 HydrophobicContact CD2-CD1 4.24Å; Y78-L321 HydrophobicContact CE1-CD1 4.33Å; Y78-L321 HydrophobicContact CE2-CB 3.61Å; Y78-L321 HydrophobicContact CE2-CD1 4.02Å; Y78-L321 HydrophobicContact CE2-CG 4.3Å; Y78-L321 HydrophobicContact CG-CD1 4.49Å
79K96.7Very high92.2Very high124 Ų12451.4 Ų51.454%0.53926%0.257SS..EExtended strand (participates in β ladder)trans-94.1128.8165.3-65.4-176.2-178.2173.80108.2G52 T53 E55G52-K79 CarbonylContact C-O 3.55Å; G52-K79 WeakPolarHBondContact CA-O 3.25Å; T53-K79 PolarHBondContact N-O 3.41Å; T53-K79 PolarHBondContact O-N 3.36Å; E55-K79 WeakPolarHBondContact OE1-CE 3.45Å; E55-K79 IonicContact OE1-NZ 2.72Å; E55-K79 PolarHBondContact OE1-NZ 2.85Å; E55-K79 IonicContact OE2-NZ 4Å
80W97.8Very high93.5Very high59 Ų5947.6 Ų47.622%0.22323%0.233CC..EExtended strand (participates in β ladder)trans-109.2140.1-172.7-6594.8000111.1D49 L51 Y78 R294 I295 L321D49-W80 HydrophobicContact CB-CB 4.18Å; D49-W80 HydrophobicContact CB-CD2 3.95Å; D49-W80 HydrophobicContact CB-CE3 3.78Å; D49-W80 HydrophobicContact CB-CG 4.14Å; D49-W80 HydrophobicContact CB-CZ3 4.49Å; L51-W80 CarbonylContact O-C 3.4Å; L51-W80 WeakPolarHBondContact O-CA 3.37Å; Y78-W80 HydrophobicContact CD1-CZ2 4.46Å; Y78-W80 HydrophobicContact CG-CZ2 4.24Å; W80-R294 HydrophobicContact CE3-CB 4.36Å; W80-R294 HydrophobicContact CH2-CB 4.13Å; W80-R294 HydrophobicContact CH2-CG 3.82Å; W80-R294 HydrophobicContact CZ3-CB 3.68Å; W80-R294 HydrophobicContact CZ3-CG 3.91Å; W80-I295 WeakPolarHBondContact CZ3-O 3.46Å; W80-L321 HydrophobicContact CH2-CD1 3.68Å; W80-L321 HydrophobicContact CZ2-CD1 3.76Å
81L97.9Very high94.7Very high55 Ų5545.4 Ų45.429%0.28823%0.228SC..EExtended strand (participates in β ladder)trans-98.9128.7161.2-65.7174.8000108.1C50 L51 E85 I120C50-L81 WeakPolarHBondContact CA-O 3.32Å; C50-L81 WeakPolarHBondContact CB-O 3.49Å; C50-L81 PolarHBondContact N-O 3.09Å; L51-L81 PolarHBondContact N-O 3.37Å; L51-L81 VanDerWaalsContact N-O 3.16Å; L51-L81 PolarHBondContact O-N 3.17Å; L81-E85 HydrophobicContact CD2-CB 4.43Å; L81-I120 HydrophobicContact CD1-CD1 4.23Å
82S98.6Very high95.6Very high16 Ų1641.8 Ų41.811%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-70.7164.8170.662.70000111.9A48 N84 E85 L86A48-S82 CarbonylContact O-C 3.6Å; A48-S82 WeakPolarHBondContact O-CA 3.29Å; A48-S82 WeakPolarHBondContact O-CB 3.46Å; S82-N84 VanDerWaalsContact C-N 3.28Å; S82-N84 PolarHBondContact O-N 3.45Å; S82-E85 WeakPolarHBondContact CB-OE2 3.47Å; S82-E85 PolarHBondContact N-OE2 2.99Å; S82-E85 PolarHBondContact O-N 3.43Å; S82-E85 WeakPolarHBondContact OG-CB 3.49Å; S82-E85 VanDerWaalsContact OG-CD 3.29Å; S82-E85 VanDerWaalsContact OG-CG 3.25Å; S82-E85 WeakPolarHBondContact OG-CG 3.31Å; S82-E85 PolarHBondContact OG-N 3.17Å; S82-E85 PolarHBondContact OG-OE2 3.39Å; S82-L86 VanDerWaalsContact O-CB 3.31Å; S82-L86 WeakPolarHBondContact O-CB 3.44Å; S82-L86 PolarHBondContact O-N 3.2Å
83Y98.6Very high96.2Very high0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-57.8-38.7173.9-82.7-94.4000112.7A41 V42 F45 G46 A48 C50 L86 D87 V289 G292 C293A41-Y83 HydrophobicContact CB-CD1 4.19Å; A41-Y83 HydrophobicContact CB-CE1 3.76Å; V42-Y83 HydrophobicContact CG2-CD1 4.36Å; F45-Y83 HydrophobicContact CB-CD2 3.86Å; F45-Y83 HydrophobicContact CB-CE2 4Å; F45-Y83 HydrophobicContact CB-CG 4.2Å; G46-Y83 CarbonylContact O-C 3.54Å; G46-Y83 WeakPolarHBondContact O-CB 3.31Å; G46-Y83 PolarHBondContact O-N 2.95Å; A48-Y83 HydrophobicContact CB-CD2 4.36Å; A48-Y83 WeakPolarHBondContact O-CD2 3.33Å; A48-Y83 PolarHBondContact O-N 2.92Å; C50-Y83 HydrophobicContact CB-CD1 4.32Å; C50-Y83 HydrophobicContact CB-CD2 3.6Å; C50-Y83 HydrophobicContact CB-CE1 4.36Å; C50-Y83 HydrophobicContact CB-CE2 3.62Å; C50-Y83 HydrophobicContact CB-CG 3.95Å; C50-Y83 VanDerWaalsContact SG-CZ 3.56Å; Y83-L86 PolarHBondContact O-N 3.05Å; Y83-D87 WeakPolarHBondContact O-CB 3.34Å; Y83-D87 PolarHBondContact O-N 2.96Å; Y83-V289 HydrophobicContact CE1-CG1 3.85Å; Y83-V289 VanDerWaalsContact CE1-O 3.27Å; Y83-V289 WeakPolarHBondContact CE1-O 3.47Å; Y83-V289 WeakPolarHBondContact OH-CA 3.47Å; Y83-V289 PolarHBondContact OH-O 3.36Å; Y83-G292 WeakPolarHBondContact OH-CA 3.49Å; Y83-C293 PolarHBondContact OH-N 3.25Å; Y83-C293 PolarHBondContact OH-O 3.06Å
84N98.6Very high96.7Very high77 Ų7739.3 Ų39.341%0.41220%0.202SC..Hα-helixtrans-67.3-43.1177.5-73.7-18.2000112.6G46 S82 L86 D87 S88G46-N84 VanDerWaalsContact C-CG 3.42Å; G46-N84 WeakPolarHBondContact CA-OD1 3.34Å; G46-N84 VanDerWaalsContact O-CG 3.28Å; G46-N84 PolarHBondContact O-N 3.32Å; S82-N84 VanDerWaalsContact C-N 3.28Å; S82-N84 PolarHBondContact O-N 3.45Å; N84-L86 VanDerWaalsContact C-N 3.33Å; N84-D87 PolarHBondContact O-N 2.83Å; N84-S88 PolarHBondContact O-N 2.88Å; N84-S88 PolarHBondContact O-OG 3.43Å
85E98.4Very high97.2Very high98 Ų9838.1 Ų38.146%0.45820%0.196SC..Hα-helixtrans-66.9-38.6176.4-71.4165.213700111.2L81 S82 T89L81-E85 HydrophobicContact CD2-CB 4.43Å; S82-E85 WeakPolarHBondContact CB-OE2 3.47Å; S82-E85 PolarHBondContact N-OE2 2.99Å; S82-E85 PolarHBondContact O-N 3.43Å; S82-E85 WeakPolarHBondContact OG-CB 3.49Å; S82-E85 VanDerWaalsContact OG-CD 3.29Å; S82-E85 VanDerWaalsContact OG-CG 3.25Å; S82-E85 WeakPolarHBondContact OG-CG 3.31Å; S82-E85 PolarHBondContact OG-N 3.17Å; S82-E85 PolarHBondContact OG-OE2 3.39Å; E85-T89 VanDerWaalsContact O-CB 3.3Å; E85-T89 WeakPolarHBondContact O-CB 3.48Å; E85-T89 PolarHBondContact O-N 3Å; E85-T89 PolarHBondContact O-OG1 2.9Å
86L98.3Very high97.6Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-62.3-46.9173.9179.759.9000111F38 C50 L51 S82 Y83 N84 S88 T89 V90 I120F38-L86 HydrophobicContact CE2-CD2 3.7Å; F38-L86 HydrophobicContact CE2-CG 4.13Å; F38-L86 HydrophobicContact CZ-CB 4.47Å; F38-L86 HydrophobicContact CZ-CD2 3.89Å; F38-L86 HydrophobicContact CZ-CG 3.77Å; C50-L86 HydrophobicContact CB-CD2 4.27Å; C50-L86 VanDerWaalsContact SG-CD2 3.55Å; L51-L86 HydrophobicContact CD1-CD1 3.7Å; L51-L86 HydrophobicContact CD1-CD2 3.99Å; L51-L86 HydrophobicContact CD1-CG 4.49Å; L51-L86 HydrophobicContact CG-CD1 4.49Å; L51-L86 HydrophobicContact CG-CD2 4.05Å; S82-L86 VanDerWaalsContact O-CB 3.31Å; S82-L86 WeakPolarHBondContact O-CB 3.44Å; S82-L86 PolarHBondContact O-N 3.2Å; Y83-L86 PolarHBondContact O-N 3.05Å; N84-L86 VanDerWaalsContact C-N 3.33Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 2.98Å; L86-T89 PolarHBondContact O-N 3.21Å; L86-V90 HydrophobicContact CD1-CG2 4.06Å; L86-V90 HydrophobicContact CG-CG2 4.33Å; L86-V90 WeakPolarHBondContact O-CB 3.34Å; L86-V90 VanDerWaalsContact O-CG2 3.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.41Å; L86-V90 PolarHBondContact O-N 2.84Å; L86-I120 HydrophobicContact CD1-CD1 4.36Å; L86-I120 HydrophobicContact CD1-CG1 3.46Å; L86-I120 VanDerWaalsContact CD1-CG1 3.46Å
87D98.5Very high97.9Very high40 Ų4036.5 Ų36.521%0.21419%0.185CC..Hα-helixtrans-59.9-42.6178.8-173.350.9000112.9F38 V42 Y83 N84 V90 S91 R127F38-D87 HydrophobicContact CE1-CB 4.43Å; F38-D87 HydrophobicContact CZ-CB 4.38Å; V42-D87 HydrophobicContact CG1-CB 3.88Å; V42-D87 HydrophobicContact CG2-CB 3.86Å; Y83-D87 WeakPolarHBondContact O-CB 3.34Å; Y83-D87 PolarHBondContact O-N 2.96Å; N84-D87 PolarHBondContact O-N 2.83Å; D87-V90 PolarHBondContact O-N 2.83Å; D87-S91 PolarHBondContact O-N 3.18Å; D87-S91 PolarHBondContact O-OG 2.85Å; D87-S91 VanDerWaalsContact O-OG 3.06Å; D87-R127 PolarHBondContact O-NH1 3.24Å; D87-R127 IonicContact OD1-CZ 3.56Å; D87-R127 IonicContact OD1-NH1 3.46Å; D87-R127 PolarHBondContact OD1-NH1 3.43Å; D87-R127 IonicContact OD1-NH2 2.68Å; D87-R127 PolarHBondContact OD1-NH2 3.49Å
88S98.1Very high98Very high62 Ų6231.1 Ų31.143%0.43416%0.161SC..Hα-helixtrans-62.5-48.8174.7-54.80000110.4N84 L86 V90 S91 D92N84-S88 PolarHBondContact O-N 2.88Å; N84-S88 PolarHBondContact O-OG 3.43Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-S88 PolarHBondContact O-N 2.98Å; S88-V90 VanDerWaalsContact C-N 3.32Å; S88-V90 PolarHBondContact O-N 3.31Å; S88-S91 WeakPolarHBondContact O-CB 3.47Å; S88-S91 PolarHBondContact O-N 3.39Å; S88-S91 VanDerWaalsContact O-N 3.16Å; S88-D92 PolarHBondContact O-N 2.95Å
89T98.1Very high98.1Very high11 Ų1131.8 Ų31.87%0.06717%0.171CC..Hα-helixtrans-62-37.7179.9-58.80000112.6E85 L86 F93 I120 R206E85-T89 VanDerWaalsContact O-CB 3.3Å; E85-T89 WeakPolarHBondContact O-CB 3.48Å; E85-T89 PolarHBondContact O-N 3Å; E85-T89 PolarHBondContact O-OG1 2.9Å; L86-T89 PolarHBondContact O-N 3.21Å; T89-F93 VanDerWaalsContact O-CB 3.25Å; T89-F93 WeakPolarHBondContact O-CB 3.45Å; T89-F93 PolarHBondContact O-N 2.93Å; T89-I120 HydrophobicContact CG2-CD1 4.03Å; T89-I120 HydrophobicContact CG2-CG1 4.36Å; T89-I120 HydrophobicContact CG2-CG2 3.78Å; T89-R206 PolarHBondContact OG1-NH2 3.35Å; T89-R206 VanDerWaalsContact OG1-NH2 3.17Å
90V98.3Very high98.1Very high0 Ų027.3 Ų27.30%015%0.153CC..Hα-helixtrans-64.5-44.7175.3163.10000111.1F38 L86 D87 S88 G94 I120 Q123 A124F38-V90 HydrophobicContact CE1-CB 4.31Å; F38-V90 HydrophobicContact CE1-CG1 4.24Å; F38-V90 HydrophobicContact CE1-CG2 4.17Å; F38-V90 HydrophobicContact CZ-CG2 4.42Å; L86-V90 HydrophobicContact CD1-CG2 4.06Å; L86-V90 HydrophobicContact CG-CG2 4.33Å; L86-V90 WeakPolarHBondContact O-CB 3.34Å; L86-V90 VanDerWaalsContact O-CG2 3.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.41Å; L86-V90 PolarHBondContact O-N 2.84Å; D87-V90 PolarHBondContact O-N 2.83Å; S88-V90 VanDerWaalsContact C-N 3.32Å; S88-V90 PolarHBondContact O-N 3.31Å; V90-G94 PolarHBondContact O-N 2.96Å; V90-I120 HydrophobicContact CG2-CG2 4.34Å; V90-Q123 HydrophobicContact CG1-CB 3.97Å; V90-Q123 HydrophobicContact CG2-CB 3.64Å; V90-A124 HydrophobicContact CG1-CB 4.29Å; V90-A124 WeakPolarHBondContact O-CB 3.49Å
91S97.7Very high98Very high30 Ų3026.4 Ų26.421%0.2116%0.162CC..Hα-helixtrans-63.2-51.2176-60.20000111.6D87 S88 F93 G94 N95 R127D87-S91 PolarHBondContact O-N 3.18Å; D87-S91 PolarHBondContact O-OG 2.85Å; D87-S91 VanDerWaalsContact O-OG 3.06Å; S88-S91 WeakPolarHBondContact O-CB 3.47Å; S88-S91 PolarHBondContact O-N 3.39Å; S88-S91 VanDerWaalsContact O-N 3.16Å; S91-F93 VanDerWaalsContact C-N 3.31Å; S91-F93 PolarHBondContact O-N 3.21Å; S91-G94 PolarHBondContact O-N 2.91Å; S91-N95 WeakPolarHBondContact O-CB 3.42Å; S91-N95 PolarHBondContact O-N 3.46Å; S91-N95 PolarHBondContact O-ND2 3.45Å; S91-R127 PolarHBondContact OG-NH1 3.18Å
92D98.3Very high98Very high38 Ų3823.9 Ų23.920%0.20315%0.149CC..Hα-helixtrans-58.3-45.7-179.2-60.8-21.1000111S88 G96 R206 G209 V210S88-D92 PolarHBondContact O-N 2.95Å; D92-G96 PolarHBondContact O-N 3.18Å; D92-R206 HydrophobicContact CB-CB 4.31Å; D92-G209 WeakPolarHBondContact O-CA 3.42Å; D92-V210 HydrophobicContact CB-CG2 3.98Å
93F98.5Very high97.8Very high0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-68.6-41.9-179.2-172.2-122.4000112.3T89 S91 G96 L97 I120 T121 A124 V157 I181 M202 V205 R206T89-F93 VanDerWaalsContact O-CB 3.25Å; T89-F93 WeakPolarHBondContact O-CB 3.45Å; T89-F93 PolarHBondContact O-N 2.93Å; S91-F93 VanDerWaalsContact C-N 3.31Å; S91-F93 PolarHBondContact O-N 3.21Å; F93-G96 PolarHBondContact O-N 3.48Å; F93-L97 HydrophobicContact CD1-CD1 4.04Å; F93-L97 HydrophobicContact CE1-CD1 3.71Å; F93-L97 HydrophobicContact CE1-CG 4.26Å; F93-L97 HydrophobicContact CE2-CD2 4.42Å; F93-L97 HydrophobicContact CE2-CG 4.39Å; F93-L97 HydrophobicContact CZ-CD1 4.07Å; F93-L97 HydrophobicContact CZ-CD2 4.12Å; F93-L97 HydrophobicContact CZ-CG 4.17Å; F93-L97 WeakPolarHBondContact O-CG 3.42Å; F93-L97 PolarHBondContact O-N 2.8Å; F93-I120 HydrophobicContact CD1-CG2 4.48Å; F93-T121 HydrophobicContact CE1-CG2 3.95Å; F93-T121 WeakPolarHBondContact CE1-OG1 3.49Å; F93-A124 HydrophobicContact CD1-CB 3.92Å; F93-V157 HydrophobicContact CZ-CG2 4.31Å; F93-I181 HydrophobicContact CE2-CG2 4.08Å; F93-I181 HydrophobicContact CZ-CG2 4.2Å; F93-M202 HydrophobicContact CD1-CE 3.78Å; F93-M202 HydrophobicContact CD2-CE 4.06Å; F93-M202 HydrophobicContact CD2-CG 3.87Å; F93-M202 HydrophobicContact CE1-CE 3.88Å; F93-M202 HydrophobicContact CE2-CB 4.46Å; F93-M202 HydrophobicContact CE2-CE 4.18Å; F93-M202 HydrophobicContact CE2-CG 3.61Å; F93-M202 HydrophobicContact CG-CE 3.87Å; F93-M202 HydrophobicContact CZ-CE 4.08Å; F93-M202 HydrophobicContact CZ-CG 4.12Å; F93-V205 HydrophobicContact CD2-CB 4.06Å; F93-V205 HydrophobicContact CD2-CG1 3.8Å; F93-V205 HydrophobicContact CE2-CB 3.84Å; F93-V205 HydrophobicContact CE2-CG1 3.68Å; F93-R206 HydrophobicContact CB-CG 3.91Å; F93-R206 HydrophobicContact CD2-CG 3.99Å; F93-R206 HydrophobicContact CG-CG 4.39Å
94G97.9Very high97.7Very high0 Ų028.9 Ų28.90%017%0.174CC..Hα-helixtrans-63.3-43.217700000113.2V90 S91 G96 L97 A98 H128V90-G94 PolarHBondContact O-N 2.96Å; S91-G94 PolarHBondContact O-N 2.91Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 PolarHBondContact O-N 2.89Å; G94-L97 PolarHBondContact O-N 3.28Å; G94-A98 PolarHBondContact O-N 2.97Å; G94-H128 WeakPolarHBondContact CA-NE2 3Å
95N98.3Very high97.6Very high13 Ų1330.8 Ų30.87%0.0718%0.178CC..Hα-helixtrans-60.2-42.4173-69.4-20000111.3S91 A98 A99 H128 G209S91-N95 WeakPolarHBondContact O-CB 3.42Å; S91-N95 PolarHBondContact O-N 3.46Å; S91-N95 PolarHBondContact O-ND2 3.45Å; N95-A98 PolarHBondContact O-N 3.06Å; N95-A99 WeakPolarHBondContact O-CB 3.09Å; N95-A99 PolarHBondContact O-N 2.98Å; N95-H128 PolarHBondContact OD1-CE1 2.85Å; N95-G209 WeakPolarHBondContact CB-O 3.26Å
96G98.3Very high97.5Very high0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-61.3-44.2175.300000113.3D92 F93 G94 A98 A99 L100 V205D92-G96 PolarHBondContact O-N 3.18Å; F93-G96 PolarHBondContact O-N 3.48Å; G94-G96 VanDerWaalsContact C-N 3.31Å; G94-G96 PolarHBondContact O-N 2.89Å; G96-A98 VanDerWaalsContact C-N 3.34Å; G96-A98 PolarHBondContact O-N 3.17Å; G96-A99 WeakPolarHBondContact O-CB 3.23Å; G96-A99 PolarHBondContact O-N 3.2Å; G96-L100 WeakPolarHBondContact O-CG 3.5Å; G96-L100 PolarHBondContact O-N 2.73Å; G96-V205 VanDerWaalsContact CA-O 3.24Å; G96-V205 WeakPolarHBondContact CA-O 3.29Å
97L98.2Very high97.4Very high0 Ų031 Ų310%018%0.183CC..Hα-helixtrans-61.9-41.6174.8-70.5172.3000111.7F93 G94 A99 L100 G101 Q102 I108 F130 I181 V205F93-L97 HydrophobicContact CD1-CD1 4.04Å; F93-L97 HydrophobicContact CE1-CD1 3.71Å; F93-L97 HydrophobicContact CE1-CG 4.26Å; F93-L97 HydrophobicContact CE2-CD2 4.42Å; F93-L97 HydrophobicContact CE2-CG 4.39Å; F93-L97 HydrophobicContact CZ-CD1 4.07Å; F93-L97 HydrophobicContact CZ-CD2 4.12Å; F93-L97 HydrophobicContact CZ-CG 4.17Å; F93-L97 WeakPolarHBondContact O-CG 3.42Å; F93-L97 PolarHBondContact O-N 2.8Å; G94-L97 PolarHBondContact O-N 3.28Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 2.81Å; L97-L100 PolarHBondContact O-N 2.88Å; L97-G101 PolarHBondContact O-N 3.07Å; L97-Q102 HydrophobicContact CB-CB 4.43Å; L97-Q102 VanDerWaalsContact O-CB 3.24Å; L97-Q102 WeakPolarHBondContact O-CB 3.47Å; L97-Q102 PolarHBondContact O-N 2.82Å; L97-Q102 VanDerWaalsContact O-N 3.11Å; L97-I108 HydrophobicContact CD1-CD1 3.89Å; L97-I108 HydrophobicContact CD2-CD1 3.9Å; L97-F130 HydrophobicContact CB-CE2 4.04Å; L97-I181 HydrophobicContact CD2-CD1 4.18Å; L97-I181 HydrophobicContact CD2-CG1 4.44Å; L97-V205 HydrophobicContact CD2-CG1 4.28Å; L97-V205 HydrophobicContact CG-CG1 4.32Å
98A97.6Very high97.4Very high10 Ų1029 Ų298%0.08317%0.173CC..Hα-helixtrans-64.2-35.4175.400000112.3G94 N95 G96 G101 F130 R217G94-A98 PolarHBondContact O-N 2.97Å; N95-A98 PolarHBondContact O-N 3.06Å; G96-A98 VanDerWaalsContact C-N 3.34Å; G96-A98 PolarHBondContact O-N 3.17Å; A98-G101 WeakPolarHBondContact O-CA 3.28Å; A98-G101 PolarHBondContact O-N 3.32Å; A98-F130 HydrophobicContact CB-CZ 4.24Å; A98-R217 PolarHBondContact O-NH1 2.9Å
99A97.3Very high97.4Very high34 Ų3426.1 Ų26.128%0.28115%0.152SC..Hα-helixtrans-69.6-31.4175.300000112.7N95 G96 L97 G101 L208 N214N95-A99 WeakPolarHBondContact O-CB 3.09Å; N95-A99 PolarHBondContact O-N 2.98Å; G96-A99 WeakPolarHBondContact O-CB 3.23Å; G96-A99 PolarHBondContact O-N 3.2Å; L97-A99 VanDerWaalsContact C-N 3.3Å; L97-A99 PolarHBondContact O-N 2.81Å; A99-G101 PolarHBondContact O-N 2.92Å; A99-L208 HydrophobicContact CB-CD1 4.38Å; A99-L208 HydrophobicContact CB-CD2 3.57Å; A99-L208 HydrophobicContact CB-CG 3.71Å; A99-N214 HydrophobicContact CB-CB 4.34Å; A99-N214 WeakPolarHBondContact CB-OD1 3.25Å
100L97Very high97.4Very high30 Ų3025.6 Ų25.616%0.15715%0.149CC..THydrogen-bonded Turntrans-72.21.1167.8-66-176.8000113.5G96 L97 H179 V205 L208G96-L100 WeakPolarHBondContact O-CG 3.5Å; G96-L100 PolarHBondContact O-N 2.73Å; L97-L100 PolarHBondContact O-N 2.88Å; L100-H179 PolarHBondContact O-NE2 2.76Å; L100-V205 HydrophobicContact CD1-CG1 4.24Å; L100-V205 HydrophobicContact CD1-CG2 3.87Å; L100-L208 HydrophobicContact CD2-CD2 3.8Å; L100-L208 HydrophobicContact CG-CD2 4.03Å
101G96Very high97.2Very high40 Ų4025.6 Ų25.641%0.41215%0.149SC..THydrogen-bonded Turntrans94.38.7173.800000114.5L97 A98 A99 Q103L97-G101 PolarHBondContact O-N 3.07Å; A98-G101 WeakPolarHBondContact O-CA 3.28Å; A98-G101 PolarHBondContact O-N 3.32Å; A99-G101 PolarHBondContact O-N 2.92Å; G101-Q103 PolarHBondContact O-N 3Å; G101-Q103 PolarHBondContact O-NE2 2.88Å
102Q97Very high97.1Very high3 Ų324.4 Ų24.41%0.01414%0.141CC..  trans-61.9135.8170.4-173.362.7-2.400110.5L97 N106 T107 F130 T154 H155L97-Q102 HydrophobicContact CB-CB 4.43Å; L97-Q102 VanDerWaalsContact O-CB 3.24Å; L97-Q102 WeakPolarHBondContact O-CB 3.47Å; L97-Q102 PolarHBondContact O-N 2.82Å; L97-Q102 VanDerWaalsContact O-N 3.11Å; Q102-N106 PolarHBondContact NE2-O 3.35Å; Q102-T107 PolarHBondContact NE2-O 3.42Å; Q102-T107 VanDerWaalsContact NE2-O 3.14Å; Q102-F130 HydrophobicContact CB-CE1 4.42Å; Q102-F130 HydrophobicContact CB-CE2 4.2Å; Q102-F130 HydrophobicContact CB-CZ 4.06Å; Q102-F130 HydrophobicContact CG-CD1 3.8Å; Q102-F130 HydrophobicContact CG-CD2 3.79Å; Q102-F130 HydrophobicContact CG-CE1 3.8Å; Q102-F130 HydrophobicContact CG-CE2 3.77Å; Q102-F130 HydrophobicContact CG-CG 3.8Å; Q102-F130 HydrophobicContact CG-CZ 3.77Å; Q102-T154 PolarHBondContact OE1-OG1 3.21Å; Q102-H155 PolarHBondContact OE1-CE1 2.98Å; Q102-H155 PolarHBondContact OE1-ND1 2.98Å
103Q95.4Very high96.8Very high82 Ų8225.8 Ų25.838%0.38315%0.146SC..  trans-112.7148.6-177.4-57.9-57.4-45.800111.2G101 N106 F130G101-Q103 PolarHBondContact O-N 3Å; G101-Q103 PolarHBondContact O-NE2 2.88Å; Q103-N106 WeakPolarHBondContact O-CB 3.46Å; Q103-N106 PolarHBondContact O-N 2.94Å; Q103-F130 VanDerWaalsContact C-CE1 3.46Å; Q103-F130 WeakPolarHBondContact O-CD1 3.24Å
104P96.3Very high96.5Very high39 Ų3926.9 Ų26.925%0.25315%0.153SC..THydrogen-bonded Turntrans-53.3144.9170.3-24.834.6000111.3N106 N129 F130 V220P104-N106 PolarHBondContact O-N 2.78Å; P104-N106 VanDerWaalsContact O-N 3.13Å; P104-N129 CarbonylContact C-O 3.52Å; P104-N129 WeakPolarHBondContact CA-O 3.33Å; P104-N129 HydrophobicContact CB-CB 4.49Å; P104-F130 HydrophobicContact CG-CE1 4.42Å; P104-V220 HydrophobicContact CB-CB 3.89Å; P104-V220 HydrophobicContact CB-CG1 4.1Å; P104-V220 HydrophobicContact CB-CG2 4.33Å; P104-V220 HydrophobicContact CG-CB 3.62Å; P104-V220 HydrophobicContact CG-CG1 4.35Å; P104-V220 HydrophobicContact CG-CG2 3.71Å
105K95.6Very high96.4Very high116 Ų11629.3 Ų29.350%0.50416%0.162SC..THydrogen-bonded Turntrans64.42.4-177-48.7-168.1-175.3-143.60115.3N129 D226K105-N129 PolarHBondContact N-O 2.75Å; K105-D226 IonicContact NZ-OD1 2.74Å; K105-D226 PolarHBondContact NZ-OD1 3.16Å; K105-D226 IonicContact NZ-OD2 2.7Å
106N96.1Very high96.4Very high83 Ų8328.9 Ų28.944%0.44416%0.16SC..  trans-93.6141.6169.9-69.62.1000111.1Q102 Q103 P104 P131Q102-N106 PolarHBondContact NE2-O 3.35Å; Q103-N106 WeakPolarHBondContact O-CB 3.46Å; Q103-N106 PolarHBondContact O-N 2.94Å; P104-N106 PolarHBondContact O-N 2.78Å; P104-N106 VanDerWaalsContact O-N 3.13Å; N106-P131 WeakPolarHBondContact O-CD 3.4Å
107T96.6Very high96.4Very high19 Ų1930.8 Ų30.812%0.11717%0.169CC..  trans-70.9145-17645.90000112.6Q102 P131 V133 T151 V153Q102-T107 PolarHBondContact NE2-O 3.42Å; Q102-T107 VanDerWaalsContact NE2-O 3.14Å; T107-P131 VanDerWaalsContact CA-O 3.24Å; T107-P131 WeakPolarHBondContact CA-O 3.14Å; T107-P131 HydrophobicContact CG2-CB 4.05Å; T107-V133 HydrophobicContact CG2-CG2 3.82Å; T107-T151 PolarHBondContact OG1-O 3.21Å; T107-V153 WeakPolarHBondContact OG1-CG1 3.4Å
108I97.9Very high96.3Very high0 Ų030.9 Ų30.90%017%0.169CC..EExtended strand (participates in β ladder)trans-130.1138168.8178.6164.6000108.6L97 C125 F130 P131 L132 V133 H155 V157L97-I108 HydrophobicContact CD1-CD1 3.89Å; L97-I108 HydrophobicContact CD2-CD1 3.9Å; I108-C125 HydrophobicContact CG2-CB 4.41Å; I108-C125 WeakPolarHBondContact CG2-SG 3.49Å; I108-F130 HydrophobicContact CG2-CB 3.97Å; I108-P131 PolarHBondContact N-O 2.73Å; I108-L132 HydrophobicContact CG2-CD1 4.49Å; I108-L132 CarbonylContact O-C 3.56Å; I108-V133 PolarHBondContact O-N 2.76Å; I108-H155 HydrophobicContact CB-CB 4.43Å; I108-H155 HydrophobicContact CD1-CB 3.72Å; I108-H155 HydrophobicContact CG1-CB 3.74Å; I108-V157 HydrophobicContact CD1-CG2 4.29Å
109A98.1Very high96.4Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-99.4145.5-178.200000113V133 F135 L148 V153 H155 L156 V157A109-V133 CarbonylContact C-O 3.53Å; A109-V133 VanDerWaalsContact CA-O 3.3Å; A109-V133 WeakPolarHBondContact CA-O 3.31Å; A109-V133 HydrophobicContact CB-CB 4.25Å; A109-F135 HydrophobicContact CB-CD2 4.28Å; A109-F135 HydrophobicContact CB-CE2 3.86Å; A109-L148 HydrophobicContact CB-CD2 3.53Å; A109-V153 HydrophobicContact CB-CB 4.34Å; A109-V153 HydrophobicContact CB-CG1 4.08Å; A109-V153 HydrophobicContact CB-CG2 3.97Å; A109-H155 PolarHBondContact N-O 2.53Å; A109-L156 HydrophobicContact CB-CD1 3.64Å; A109-L156 CarbonylContact O-C 3.6Å; A109-L156 WeakPolarHBondContact O-CA 3.37Å; A109-V157 PolarHBondContact O-N 3.35Å
110I98Very high96.4Very high1 Ų129.1 Ų29.11%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-117.2126.1162.3-59.5170000109.4C112 W118 T121 L132 V133 F135 V157I110-C112 HydrophobicContact CG2-CB 3.7Å; I110-W118 HydrophobicContact CD1-CD2 4.19Å; I110-W118 HydrophobicContact CD1-CG 4.45Å; I110-W118 HydrophobicContact CD1-CZ2 4.48Å; I110-W118 VanDerWaalsContact CG2-CD1 3.42Å; I110-W118 HydrophobicContact CG2-CG 4.2Å; I110-T121 HydrophobicContact CD1-CG2 3.42Å; I110-T121 VanDerWaalsContact CD1-CG2 3.42Å; I110-T121 HydrophobicContact CG1-CG2 3.69Å; I110-L132 HydrophobicContact CB-CD1 4.28Å; I110-L132 HydrophobicContact CD1-CD1 3.35Å; I110-L132 HydrophobicContact CD1-CD2 3.94Å; I110-L132 HydrophobicContact CD1-CG 4.25Å; I110-L132 HydrophobicContact CG1-CD1 3.48Å; I110-L132 VanDerWaalsContact CG1-CD1 3.48Å; I110-V133 PolarHBondContact N-O 3.18Å; I110-F135 PolarHBondContact O-N 2.98Å; I110-V157 WeakPolarHBondContact CA-O 3.42Å; I110-V157 HydrophobicContact CG1-CB 4.19Å
111F96.1Very high96.5Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-126.582.8169.7178.4-120.1000108.4F135 Y136 A137 L139 I144 L156 V157 T158 L162 K166 L167F111-F135 HydrophobicContact CB-CB 4.46Å; F111-F135 HydrophobicContact CD2-CB 3.87Å; F111-Y136 WeakPolarHBondContact CD2-O 3.43Å; F111-Y136 WeakPolarHBondContact CE2-O 3.42Å; F111-A137 WeakPolarHBondContact CE2-O 3.3Å; F111-A137 WeakPolarHBondContact CZ-O 3.44Å; F111-L139 HydrophobicContact CE2-CB 4.16Å; F111-I144 HydrophobicContact CB-CD1 4.25Å; F111-I144 HydrophobicContact CD2-CD1 3.95Å; F111-I144 HydrophobicContact CD2-CG1 4.3Å; F111-I144 HydrophobicContact CE2-CD1 4.46Å; F111-I144 HydrophobicContact CE2-CG1 4.44Å; F111-I144 HydrophobicContact CG-CD1 4.1Å; F111-I144 HydrophobicContact CG-CG1 4.33Å; F111-L156 HydrophobicContact CB-CD1 3.95Å; F111-V157 PolarHBondContact N-O 2.75Å; F111-T158 VanDerWaalsContact O-CA 3.24Å; F111-T158 WeakPolarHBondContact O-CA 3.22Å; F111-T158 VanDerWaalsContact O-CB 3.26Å; F111-T158 WeakPolarHBondContact O-CB 3.38Å; F111-T158 PolarHBondContact O-OG1 3Å; F111-L162 HydrophobicContact CD1-CB 3.99Å; F111-L162 HydrophobicContact CD1-CD1 4.03Å; F111-L162 HydrophobicContact CE1-CB 3.72Å; F111-L162 HydrophobicContact CE1-CD1 4.04Å; F111-L162 HydrophobicContact CE1-CD2 4.02Å; F111-L162 HydrophobicContact CE1-CG 4.15Å; F111-L162 HydrophobicContact CG-CD1 4.4Å; F111-L162 HydrophobicContact CZ-CD1 4.39Å; F111-L162 HydrophobicContact CZ-CD2 4.05Å; F111-L162 VanDerWaalsContact O-CD1 3.29Å; F111-L162 WeakPolarHBondContact O-CD1 3.46Å; F111-K166 HydrophobicContact CE1-CB 4.31Å; F111-K166 HydrophobicContact CE1-CD 4.26Å; F111-K166 HydrophobicContact CZ-CB 4.5Å; F111-K166 HydrophobicContact CZ-CD 3.77Å; F111-L167 HydrophobicContact CD1-CD1 3.9Å; F111-L167 HydrophobicContact CD1-CD2 4.08Å; F111-L167 HydrophobicContact CD1-CG 3.95Å; F111-L167 HydrophobicContact CE1-CD1 4.41Å; F111-L167 HydrophobicContact CE1-CD2 4.25Å; F111-L167 HydrophobicContact CE1-CG 4.02Å
112C94.6Very high96.6Very high5 Ų525.9 Ų25.93%0.03413%0.127CC..  trans-150.9150.6-170-171.90000110.7I110 R115I110-C112 HydrophobicContact CG2-CB 3.7Å; C112-R115 VanDerWaalsContact SG-CD 3.59Å
113E91.9Very high96.7Very high67 Ų6725.8 Ų25.831%0.31313%0.127SC..  trans-64.1163.5168.7-59.380.8-176.300111.6R115 A137 S159 L162E113-R115 PolarHBondContact O-N 2.76Å; E113-A137 HydrophobicContact CG-CB 3.9Å; E113-S159 VanDerWaalsContact OE2-CB 3.31Å; E113-S159 WeakPolarHBondContact OE2-CB 3.3Å; E113-S159 PolarHBondContact OE2-OG 3.36Å; E113-L162 WeakPolarHBondContact OE1-CD1 3.25Å; E113-L162 WeakPolarHBondContact OE1-CG 3.47Å
114T93.3Very high96.8Very high23 Ų2321.9 Ų21.914%0.14111%0.109CC..SBendtrans-64.9116.3175.3-62.30000111.2A272 L274 P275 L276 Y297T114-A272 HydrophobicContact CG2-CB 4.35Å; T114-L274 WeakPolarHBondContact CB-O 3.4Å; T114-L274 WeakPolarHBondContact CG2-O 3.44Å; T114-L274 PolarHBondContact OG1-O 3.31Å; T114-P275 VanDerWaalsContact OG1-CA 3.29Å; T114-P275 WeakPolarHBondContact OG1-CA 3.4Å; T114-L276 HydrophobicContact CG2-CD1 3.8Å; T114-L276 HydrophobicContact CG2-CG 3.88Å; T114-L276 PolarHBondContact OG1-N 3.05Å; T114-Y297 HydrophobicContact CG2-CD1 3.79Å; T114-Y297 HydrophobicContact CG2-CE1 3.89Å
115R95.6Very high96.9Very high51 Ų5120 Ų2019%0.19210%0.097CC..SBendtrans-162.9167.4-179.762.1-170-67.3175.7-3.7110.9C112 E113 E117 W118 V183 D184C112-R115 VanDerWaalsContact SG-CD 3.59Å; E113-R115 PolarHBondContact O-N 2.76Å; R115-E117 VanDerWaalsContact C-N 3.28Å; R115-E117 WeakPolarHBondContact CB-OE2 3.46Å; R115-E117 HydrophobicContact CG-CB 4.33Å; R115-E117 VanDerWaalsContact CG-OE2 3.31Å; R115-E117 WeakPolarHBondContact CG-OE2 3.44Å; R115-E117 IonicContact CZ-OE1 2.84Å; R115-E117 IonicContact CZ-OE2 3.96Å; R115-E117 IonicContact NE-OE1 3.78Å; R115-E117 IonicContact NE-OE2 3.4Å; R115-E117 PolarHBondContact NE-OE2 3.47Å; R115-E117 VanDerWaalsContact NH2-CD 3.32Å; R115-E117 IonicContact NH2-OE1 3.09Å; R115-E117 PolarHBondContact NH2-OE1 2.93Å; R115-E117 IonicContact NH2-OE2 3.8Å; R115-E117 PolarHBondContact O-N 2.99Å; R115-W118 HydrophobicContact CG-CB 4.45Å; R115-W118 WeakPolarHBondContact O-CB 3.36Å; R115-W118 PolarHBondContact O-N 2.89Å; R115-V183 VanDerWaalsContact CZ-CG2 3.47Å; R115-V183 VanDerWaalsContact NH1-CG2 3.32Å; R115-D184 IonicContact CZ-OD1 3.61Å; R115-D184 IonicContact NH1-OD1 3.57Å; R115-D184 PolarHBondContact NH1-OD1 3.36Å; R115-D184 IonicContact NH1-OD2 2.81Å; R115-D184 IonicContact NH2-OD1 3.67Å
116A97.3Very high97.1Very high4 Ų414.6 Ų14.63%0.0337%0.073CC..Hα-helixtrans-56.9-40-177.400000113.3L51 W118 M119 I120 Y297L51-A116 HydrophobicContact CB-CB 4.25Å; L51-A116 HydrophobicContact CD1-CB 4.11Å; A116-W118 PolarHBondContact O-N 2.76Å; A116-M119 PolarHBondContact O-N 2.99Å; A116-M119 VanDerWaalsContact O-N 3.07Å; A116-I120 WeakPolarHBondContact O-CG1 3.48Å; A116-I120 PolarHBondContact O-N 3.13Å; A116-Y297 HydrophobicContact CB-CD2 3.89Å; A116-Y297 HydrophobicContact CB-CE2 3.57Å; A116-Y297 VanDerWaalsContact N-CE2 3.31Å
117E97.7Very high97.1Very high39 Ų3911 Ų1118%0.1825%0.053CC..Hα-helixtrans-63.3-28.5-179.8-60.989.8153.200112.4R115 T121 V183 M202R115-E117 VanDerWaalsContact C-N 3.28Å; R115-E117 WeakPolarHBondContact CB-OE2 3.46Å; R115-E117 HydrophobicContact CG-CB 4.33Å; R115-E117 VanDerWaalsContact CG-OE2 3.31Å; R115-E117 WeakPolarHBondContact CG-OE2 3.44Å; R115-E117 IonicContact CZ-OE1 2.84Å; R115-E117 IonicContact CZ-OE2 3.96Å; R115-E117 IonicContact NE-OE1 3.78Å; R115-E117 IonicContact NE-OE2 3.4Å; R115-E117 PolarHBondContact NE-OE2 3.47Å; R115-E117 VanDerWaalsContact NH2-CD 3.32Å; R115-E117 IonicContact NH2-OE1 3.09Å; R115-E117 PolarHBondContact NH2-OE1 2.93Å; R115-E117 IonicContact NH2-OE2 3.8Å; R115-E117 PolarHBondContact O-N 2.99Å; E117-T121 WeakPolarHBondContact O-CB 3.18Å; E117-T121 PolarHBondContact O-N 3.49Å; E117-T121 PolarHBondContact O-OG1 2.88Å; E117-V183 HydrophobicContact CB-CB 3.84Å; E117-V183 HydrophobicContact CB-CG1 3.73Å; E117-V183 HydrophobicContact CG-CB 4.05Å; E117-V183 HydrophobicContact CG-CG1 4.41Å; E117-M202 HydrophobicContact CB-CE 4.35Å; E117-M202 HydrophobicContact CB-SD 3.7Å; E117-M202 HydrophobicContact CG-SD 3.77Å
118W97.8Very high97.2Very high2 Ų210.5 Ų10.51%0.0085%0.05CC..Hα-helixtrans-64.3-49.5172.4-166113.7000110.2I110 R115 A116 T121 A122 L132 T134 L276 M282I110-W118 HydrophobicContact CD1-CD2 4.19Å; I110-W118 HydrophobicContact CD1-CG 4.45Å; I110-W118 HydrophobicContact CD1-CZ2 4.48Å; I110-W118 VanDerWaalsContact CG2-CD1 3.42Å; I110-W118 HydrophobicContact CG2-CG 4.2Å; R115-W118 HydrophobicContact CG-CB 4.45Å; R115-W118 WeakPolarHBondContact O-CB 3.36Å; R115-W118 PolarHBondContact O-N 2.89Å; A116-W118 PolarHBondContact O-N 2.76Å; W118-T121 WeakPolarHBondContact O-CB 3.47Å; W118-T121 PolarHBondContact O-N 2.87Å; W118-A122 HydrophobicContact CE3-CB 4Å; W118-A122 HydrophobicContact CH2-CB 4.45Å; W118-A122 HydrophobicContact CZ3-CB 3.67Å; W118-A122 PolarHBondContact O-N 3.09Å; W118-L132 HydrophobicContact CH2-CD2 4.17Å; W118-T134 HydrophobicContact CH2-CG2 4.02Å; W118-T134 HydrophobicContact CZ2-CG2 3.6Å; W118-L276 HydrophobicContact CB-CD1 3.75Å; W118-L276 HydrophobicContact CD2-CB 3.59Å; W118-L276 HydrophobicContact CD2-CD1 3.66Å; W118-L276 HydrophobicContact CD2-CD2 4.49Å; W118-L276 HydrophobicContact CD2-CG 4.12Å; W118-L276 HydrophobicContact CE3-CB 3.85Å; W118-L276 HydrophobicContact CE3-CD1 3.59Å; W118-L276 HydrophobicContact CE3-CD2 3.9Å; W118-L276 HydrophobicContact CE3-CG 4Å; W118-L276 HydrophobicContact CG-CB 4.05Å; W118-L276 HydrophobicContact CG-CD1 3.72Å; W118-L276 HydrophobicContact CH2-CB 4.13Å; W118-L276 HydrophobicContact CH2-CD2 4.43Å; W118-L276 HydrophobicContact CZ2-CB 3.87Å; W118-L276 HydrophobicContact CZ3-CB 4.11Å; W118-L276 HydrophobicContact CZ3-CD1 4.4Å; W118-L276 HydrophobicContact CZ3-CD2 3.87Å; W118-L276 HydrophobicContact CZ3-CG 4.37Å; W118-M282 HydrophobicContact CH2-CG 4.19Å; W118-M282 HydrophobicContact CH2-SD 4.07Å; W118-M282 HydrophobicContact CZ3-CG 4.4Å
119M98.1Very high97.2Very high0 Ų010.7 Ų10.70%05%0.05CC..Hα-helixtrans-67-39.6179.5-174.556.661.200111.9L51 A116 T121 A122 Q123 L276 E285 I286 Y297L51-M119 HydrophobicContact CD1-CB 4.23Å; L51-M119 HydrophobicContact CD1-CG 4.36Å; A116-M119 PolarHBondContact O-N 2.99Å; A116-M119 VanDerWaalsContact O-N 3.07Å; M119-T121 VanDerWaalsContact C-N 3.31Å; M119-T121 PolarHBondContact O-N 3.09Å; M119-A122 PolarHBondContact O-N 3.25Å; M119-Q123 HydrophobicContact CG-CG 4.45Å; M119-Q123 WeakPolarHBondContact O-CG 3.33Å; M119-Q123 PolarHBondContact O-N 2.97Å; M119-Q123 HydrophobicContact SD-CG 4.2Å; M119-L276 HydrophobicContact CE-CD2 3.93Å; M119-E285 HydrophobicContact CE-CB 3.52Å; M119-E285 HydrophobicContact CE-CG 4.41Å; M119-E285 WeakPolarHBondContact CE-OE2 3.41Å; M119-I286 HydrophobicContact CE-CG1 4.25Å; M119-I286 HydrophobicContact SD-CG1 4.27Å; M119-Y297 WeakPolarHBondContact CB-OH 3.43Å
120I98.4Very high97.2Very high8 Ų810.9 Ų10.94%0.0415%0.051CC..Hα-helixtrans-56.4-48.1172.1-68.6160.2000110.3L51 L81 L86 T89 V90 F93 A116 A122 Q123 A124 M202L51-I120 HydrophobicContact CD1-CG1 4.35Å; L81-I120 HydrophobicContact CD1-CD1 4.23Å; L86-I120 HydrophobicContact CD1-CD1 4.36Å; L86-I120 HydrophobicContact CD1-CG1 3.46Å; L86-I120 VanDerWaalsContact CD1-CG1 3.46Å; T89-I120 HydrophobicContact CG2-CD1 4.03Å; T89-I120 HydrophobicContact CG2-CG1 4.36Å; T89-I120 HydrophobicContact CG2-CG2 3.78Å; V90-I120 HydrophobicContact CG2-CG2 4.34Å; F93-I120 HydrophobicContact CD1-CG2 4.48Å; A116-I120 WeakPolarHBondContact O-CG1 3.48Å; A116-I120 PolarHBondContact O-N 3.13Å; I120-A122 PolarHBondContact O-N 2.89Å; I120-Q123 PolarHBondContact O-N 2.86Å; I120-A124 WeakPolarHBondContact O-CB 3.23Å; I120-A124 PolarHBondContact O-N 3.24Å; I120-M202 HydrophobicContact CB-CE 3.94Å; I120-M202 HydrophobicContact CG2-CE 3.38Å
121T98.6Very high97.2Very high0 Ų011 Ų110%05%0.052CC..Hα-helixtrans-60.7-46.4178.1-59.10000111F93 I110 E117 W118 M119 Q123 A124 C125 V157F93-T121 HydrophobicContact CE1-CG2 3.95Å; F93-T121 WeakPolarHBondContact CE1-OG1 3.49Å; I110-T121 HydrophobicContact CD1-CG2 3.42Å; I110-T121 VanDerWaalsContact CD1-CG2 3.42Å; I110-T121 HydrophobicContact CG1-CG2 3.69Å; E117-T121 WeakPolarHBondContact O-CB 3.18Å; E117-T121 PolarHBondContact O-N 3.49Å; E117-T121 PolarHBondContact O-OG1 2.88Å; W118-T121 WeakPolarHBondContact O-CB 3.47Å; W118-T121 PolarHBondContact O-N 2.87Å; M119-T121 VanDerWaalsContact C-N 3.31Å; M119-T121 PolarHBondContact O-N 3.09Å; T121-Q123 PolarHBondContact O-N 3.13Å; T121-A124 PolarHBondContact O-N 2.85Å; T121-C125 WeakPolarHBondContact O-CB 3.44Å; T121-C125 PolarHBondContact O-N 3.36Å; T121-C125 PolarHBondContact O-SG 3.07Å; T121-V157 HydrophobicContact CG2-CB 4.3Å; T121-V157 HydrophobicContact CG2-CG1 4.48Å; T121-V157 HydrophobicContact CG2-CG2 3.79Å
122A98.4Very high97.3Very high1 Ų111 Ų111%0.0085%0.052CC..Hα-helixtrans-60.5-46.8179.700000112.2W118 M119 I120 A124 C125 F126 L132W118-A122 HydrophobicContact CE3-CB 4Å; W118-A122 HydrophobicContact CH2-CB 4.45Å; W118-A122 HydrophobicContact CZ3-CB 3.67Å; W118-A122 PolarHBondContact O-N 3.09Å; M119-A122 PolarHBondContact O-N 3.25Å; I120-A122 PolarHBondContact O-N 2.89Å; A122-A124 PolarHBondContact O-N 3.48Å; A122-C125 WeakPolarHBondContact O-CB 3.3Å; A122-C125 PolarHBondContact O-N 3.15Å; A122-F126 HydrophobicContact CB-CE2 3.96Å; A122-F126 HydrophobicContact CB-CZ 4.13Å; A122-F126 WeakPolarHBondContact O-CD2 3.37Å; A122-F126 WeakPolarHBondContact O-CG 3.33Å; A122-F126 PolarHBondContact O-N 2.82Å; A122-L132 HydrophobicContact CB-CD2 3.75Å
123Q98.5Very high97.5Very high2 Ų210.8 Ų10.81%0.0095%0.051CC..Hα-helixtrans-63.8-38.9177.3-65.8-63.6-4.700112.3F38 V90 M119 I120 T121 C125 F126 R127F38-Q123 HydrophobicContact CD1-CB 4.43Å; F38-Q123 HydrophobicContact CD2-CG 4.5Å; F38-Q123 HydrophobicContact CG-CG 4.42Å; V90-Q123 HydrophobicContact CG1-CB 3.97Å; V90-Q123 HydrophobicContact CG2-CB 3.64Å; M119-Q123 HydrophobicContact CG-CG 4.45Å; M119-Q123 WeakPolarHBondContact O-CG 3.33Å; M119-Q123 PolarHBondContact O-N 2.97Å; M119-Q123 HydrophobicContact SD-CG 4.2Å; I120-Q123 PolarHBondContact O-N 2.86Å; T121-Q123 PolarHBondContact O-N 3.13Å; Q123-C125 VanDerWaalsContact C-N 3.33Å; Q123-C125 PolarHBondContact O-N 3.25Å; Q123-F126 PolarHBondContact O-N 2.89Å; Q123-R127 WeakPolarHBondContact O-CB 3.38Å; Q123-R127 PolarHBondContact O-N 3.1Å
124A98.4Very high97.7Very high0 Ų07.6 Ų7.60%04%0.036CC..Hα-helixtrans-62.7-41.6174.200000111.5V90 F93 I120 T121 A122 R127 H128V90-A124 HydrophobicContact CG1-CB 4.29Å; V90-A124 WeakPolarHBondContact O-CB 3.49Å; F93-A124 HydrophobicContact CD1-CB 3.92Å; I120-A124 WeakPolarHBondContact O-CB 3.23Å; I120-A124 PolarHBondContact O-N 3.24Å; T121-A124 PolarHBondContact O-N 2.85Å; A122-A124 PolarHBondContact O-N 3.48Å; A124-R127 PolarHBondContact O-N 2.71Å; A124-H128 PolarHBondContact O-CD2 2.62Å; A124-H128 VanDerWaalsContact O-CD2 3.28Å; A124-H128 PolarHBondContact O-N 3.47Å; A124-H128 VanDerWaalsContact O-N 3.13Å
125C98.5Very high97.6Very high0 Ų06.5 Ų6.50%03%0.029CC..Hα-helixtrans-62.3-45.6175.5-66.30000111.5I108 T121 A122 Q123 R127 H128 N129 F130 L132I108-C125 HydrophobicContact CG2-CB 4.41Å; I108-C125 WeakPolarHBondContact CG2-SG 3.49Å; T121-C125 WeakPolarHBondContact O-CB 3.44Å; T121-C125 PolarHBondContact O-N 3.36Å; T121-C125 PolarHBondContact O-SG 3.07Å; A122-C125 WeakPolarHBondContact O-CB 3.3Å; A122-C125 PolarHBondContact O-N 3.15Å; Q123-C125 VanDerWaalsContact C-N 3.33Å; Q123-C125 PolarHBondContact O-N 3.25Å; C125-R127 PolarHBondContact O-N 3.15Å; C125-H128 PolarHBondContact O-N 3.11Å; C125-N129 PolarHBondContact O-N 2.94Å; C125-N129 VanDerWaalsContact O-N 3.09Å; C125-F130 HydrophobicContact CB-CB 4.16Å; C125-F130 WeakPolarHBondContact CB-O 3.42Å; C125-F130 PolarHBondContact O-N 3.43Å; C125-L132 HydrophobicContact CB-CB 4.32Å
126F98.4Very high97.2Very high1 Ų15.4 Ų5.40%0.0043%0.025CC..Hα-helixtrans-63.8-41.6178.2-57-32.6000112.2L34 A122 Q123 H128 N129 L132 P222 A228 V229 H247 I286L34-F126 HydrophobicContact CB-CB 4.09Å; L34-F126 HydrophobicContact CB-CD2 3.72Å; L34-F126 HydrophobicContact CB-CE2 4.34Å; L34-F126 HydrophobicContact CB-CG 3.88Å; L34-F126 HydrophobicContact CD1-CD1 3.87Å; L34-F126 HydrophobicContact CD1-CD2 3.8Å; L34-F126 HydrophobicContact CD1-CE1 3.74Å; L34-F126 HydrophobicContact CD1-CE2 3.66Å; L34-F126 HydrophobicContact CD1-CG 3.92Å; L34-F126 HydrophobicContact CD1-CZ 3.64Å; L34-F126 HydrophobicContact CG-CD2 4.4Å; A122-F126 HydrophobicContact CB-CE2 3.96Å; A122-F126 HydrophobicContact CB-CZ 4.13Å; A122-F126 WeakPolarHBondContact O-CD2 3.37Å; A122-F126 WeakPolarHBondContact O-CG 3.33Å; A122-F126 PolarHBondContact O-N 2.82Å; Q123-F126 PolarHBondContact O-N 2.89Å; F126-H128 PolarHBondContact O-N 2.9Å; F126-N129 PolarHBondContact O-N 2.81Å; F126-L132 HydrophobicContact CE1-CB 4.49Å; F126-L132 HydrophobicContact CZ-CD2 4.48Å; F126-P222 WeakPolarHBondContact O-CD 3.45Å; F126-P222 VanDerWaalsContact O-CG 3.26Å; F126-P222 WeakPolarHBondContact O-CG 3.28Å; F126-A228 HydrophobicContact CD1-CB 4.46Å; F126-A228 HydrophobicContact CE1-CB 4.28Å; F126-V229 HydrophobicContact CE1-CG2 3.77Å; F126-V229 HydrophobicContact CZ-CG2 3.98Å; F126-H247 AromaticContact CD1-CE1 3.99Å; F126-I286 HydrophobicContact CE2-CD1 4.17Å
127R98Very high96.6Very high9 Ų95.9 Ų5.93%0.0343%0.029CC..Hα-helixtrans-61.1-42.4178.2178.3164.9-66.7175.91.6113.2D35 D87 S91 Q123 A124 C125 I219D35-R127 WeakPolarHBondContact OD1-CB 3.09Å; D35-R127 IonicContact OD1-CZ 3.18Å; D35-R127 IonicContact OD1-NE 3.44Å; D35-R127 PolarHBondContact OD1-NE 2.89Å; D35-R127 IonicContact OD1-NH2 3.7Å; D35-R127 PolarHBondContact OD1-NH2 3.33Å; D87-R127 PolarHBondContact O-NH1 3.24Å; D87-R127 IonicContact OD1-CZ 3.56Å; D87-R127 IonicContact OD1-NH1 3.46Å; D87-R127 PolarHBondContact OD1-NH1 3.43Å; D87-R127 IonicContact OD1-NH2 2.68Å; D87-R127 PolarHBondContact OD1-NH2 3.49Å; S91-R127 PolarHBondContact OG-NH1 3.18Å; Q123-R127 WeakPolarHBondContact O-CB 3.38Å; Q123-R127 PolarHBondContact O-N 3.1Å; A124-R127 PolarHBondContact O-N 2.71Å; C125-R127 PolarHBondContact O-N 3.15Å; R127-I219 WeakPolarHBondContact O-CG2 3.41Å
128H97.6Very high95.6Very high8 Ų86.4 Ų6.44%0.0374%0.035CC..THydrogen-bonded Turntrans-93.38.2-176.9-70.6-99.4000114.1G94 N95 A124 C125 F126 F130 I219 V220G94-H128 WeakPolarHBondContact CA-NE2 3Å; N95-H128 PolarHBondContact OD1-CE1 2.85Å; A124-H128 PolarHBondContact O-CD2 2.62Å; A124-H128 VanDerWaalsContact O-CD2 3.28Å; A124-H128 PolarHBondContact O-N 3.47Å; A124-H128 VanDerWaalsContact O-N 3.13Å; C125-H128 PolarHBondContact O-N 3.11Å; F126-H128 PolarHBondContact O-N 2.9Å; H128-F130 VanDerWaalsContact C-N 3.29Å; H128-F130 HydrophobicContact CB-CD1 4.09Å; H128-F130 HydrophobicContact CB-CD2 3.71Å; H128-F130 HydrophobicContact CB-CE1 3.78Å; H128-F130 HydrophobicContact CB-CE2 3.39Å; H128-F130 HydrophobicContact CB-CG 4.06Å; H128-F130 HydrophobicContact CB-CZ 3.44Å; H128-F130 VanDerWaalsContact CB-CZ 3.44Å; H128-F130 AromaticContact CG-CE2 3.99Å; H128-F130 VanDerWaalsContact O-CD1 3.32Å; H128-F130 WeakPolarHBondContact O-CD1 3.24Å; H128-F130 WeakPolarHBondContact O-CE1 3.42Å; H128-F130 PolarHBondContact O-N 3.24Å; H128-I219 HydrophobicContact CB-CG2 4.42Å; H128-I219 VanDerWaalsContact CE1-CD1 3.48Å; H128-I219 WeakPolarHBondContact CE1-CD1 3.36Å; H128-V220 CarbonylContact C-O 3.59Å
129N97.9Very high94.7Very high3 Ų37.6 Ų7.62%0.0164%0.042CC..THydrogen-bonded Turntrans54.644.5-176.6-164.34.5000111.9P104 K105 C125 F126 P131 V220 P222 D226P104-N129 CarbonylContact C-O 3.52Å; P104-N129 WeakPolarHBondContact CA-O 3.33Å; P104-N129 HydrophobicContact CB-CB 4.49Å; K105-N129 PolarHBondContact N-O 2.75Å; C125-N129 PolarHBondContact O-N 2.94Å; C125-N129 VanDerWaalsContact O-N 3.09Å; F126-N129 PolarHBondContact O-N 2.81Å; N129-P131 VanDerWaalsContact O-CD 3.31Å; N129-P131 WeakPolarHBondContact O-CD 3.23Å; N129-V220 VanDerWaalsContact CB-O 3.27Å; N129-V220 WeakPolarHBondContact CB-O 3.36Å; N129-P222 HydrophobicContact CB-CB 4.12Å; N129-D226 PolarHBondContact ND2-OD2 2.82Å
130F98.1Very high93.7Very high4 Ų49.5 Ų9.52%0.0186%0.061CC..  trans-97107.6171.5-55.5-29000108.7L97 A98 Q102 Q103 P104 I108 C125 H128 L132L97-F130 HydrophobicContact CB-CE2 4.04Å; A98-F130 HydrophobicContact CB-CZ 4.24Å; Q102-F130 HydrophobicContact CB-CE1 4.42Å; Q102-F130 HydrophobicContact CB-CE2 4.2Å; Q102-F130 HydrophobicContact CB-CZ 4.06Å; Q102-F130 HydrophobicContact CG-CD1 3.8Å; Q102-F130 HydrophobicContact CG-CD2 3.79Å; Q102-F130 HydrophobicContact CG-CE1 3.8Å; Q102-F130 HydrophobicContact CG-CE2 3.77Å; Q102-F130 HydrophobicContact CG-CG 3.8Å; Q102-F130 HydrophobicContact CG-CZ 3.77Å; Q103-F130 VanDerWaalsContact C-CE1 3.46Å; Q103-F130 WeakPolarHBondContact O-CD1 3.24Å; P104-F130 HydrophobicContact CG-CE1 4.42Å; I108-F130 HydrophobicContact CG2-CB 3.97Å; C125-F130 HydrophobicContact CB-CB 4.16Å; C125-F130 WeakPolarHBondContact CB-O 3.42Å; C125-F130 PolarHBondContact O-N 3.43Å; H128-F130 VanDerWaalsContact C-N 3.29Å; H128-F130 HydrophobicContact CB-CD1 4.09Å; H128-F130 HydrophobicContact CB-CD2 3.71Å; H128-F130 HydrophobicContact CB-CE1 3.78Å; H128-F130 HydrophobicContact CB-CE2 3.39Å; H128-F130 HydrophobicContact CB-CG 4.06Å; H128-F130 HydrophobicContact CB-CZ 3.44Å; H128-F130 VanDerWaalsContact CB-CZ 3.44Å; H128-F130 AromaticContact CG-CE2 3.99Å; H128-F130 VanDerWaalsContact O-CD1 3.32Å; H128-F130 WeakPolarHBondContact O-CD1 3.24Å; H128-F130 WeakPolarHBondContact O-CE1 3.42Å; H128-F130 PolarHBondContact O-N 3.24Å; F130-L132 PolarHBondContact O-N 2.67Å; F130-L132 VanDerWaalsContact O-N 3.14Å
131P98.1Very high93Very high4 Ų411.8 Ų11.83%0.0267%0.072CC..PPolyproline II helixtrans-54.5120.5175.1-28.231.9000112.1N106 T107 I108 N129 L227N106-P131 WeakPolarHBondContact O-CD 3.4Å; T107-P131 VanDerWaalsContact CA-O 3.24Å; T107-P131 WeakPolarHBondContact CA-O 3.14Å; T107-P131 HydrophobicContact CG2-CB 4.05Å; I108-P131 PolarHBondContact N-O 2.73Å; N129-P131 VanDerWaalsContact O-CD 3.31Å; N129-P131 WeakPolarHBondContact O-CD 3.23Å; P131-L227 HydrophobicContact CB-CB 4.35Å; P131-L227 HydrophobicContact CB-CD2 3.96Å; P131-L227 HydrophobicContact CB-CG 4.02Å; P131-L227 WeakPolarHBondContact CB-O 3.23Å; P131-L227 HydrophobicContact CG-CB 4.24Å; P131-L227 HydrophobicContact CG-CD2 4.36Å; P131-L227 HydrophobicContact CG-CG 4.43Å; P131-L227 WeakPolarHBondContact CG-O 3.46Å
132L98.3Very high92.2Very high0 Ų017.7 Ų17.70%010%0.103CC..EExtended strand (participates in β ladder)trans-88.7121.2-174.6173.462.1000111.4I108 I110 W118 A122 C125 F126 F130 T134 A228 V229 V230I108-L132 HydrophobicContact CG2-CD1 4.49Å; I108-L132 CarbonylContact O-C 3.56Å; I110-L132 HydrophobicContact CB-CD1 4.28Å; I110-L132 HydrophobicContact CD1-CD1 3.35Å; I110-L132 HydrophobicContact CD1-CD2 3.94Å; I110-L132 HydrophobicContact CD1-CG 4.25Å; I110-L132 HydrophobicContact CG1-CD1 3.48Å; I110-L132 VanDerWaalsContact CG1-CD1 3.48Å; W118-L132 HydrophobicContact CH2-CD2 4.17Å; A122-L132 HydrophobicContact CB-CD2 3.75Å; C125-L132 HydrophobicContact CB-CB 4.32Å; F126-L132 HydrophobicContact CE1-CB 4.49Å; F126-L132 HydrophobicContact CZ-CD2 4.48Å; F130-L132 PolarHBondContact O-N 2.67Å; F130-L132 VanDerWaalsContact O-N 3.14Å; L132-T134 HydrophobicContact CD2-CG2 3.89Å; L132-T134 HydrophobicContact CG-CG2 3.82Å; L132-A228 PolarHBondContact N-O 3.28Å; L132-V229 CarbonylContact O-C 3.58Å; L132-V229 WeakPolarHBondContact O-CA 3.34Å; L132-V229 WeakPolarHBondContact O-CG1 3.35Å; L132-V230 PolarHBondContact O-N 2.83Å
133V98.1Very high91.4Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-94.3124.8171.4-172.20000109.3T107 I108 A109 I110 F135 T151 V153 V230 Y232T107-V133 HydrophobicContact CG2-CG2 3.82Å; I108-V133 PolarHBondContact O-N 2.76Å; A109-V133 CarbonylContact C-O 3.53Å; A109-V133 VanDerWaalsContact CA-O 3.3Å; A109-V133 WeakPolarHBondContact CA-O 3.31Å; A109-V133 HydrophobicContact CB-CB 4.25Å; I110-V133 PolarHBondContact N-O 3.18Å; V133-F135 HydrophobicContact CB-CE2 4.33Å; V133-F135 HydrophobicContact CG1-CD2 4.31Å; V133-F135 HydrophobicContact CG1-CE1 4.29Å; V133-F135 HydrophobicContact CG1-CE2 3.48Å; V133-F135 VanDerWaalsContact CG1-CE2 3.48Å; V133-F135 HydrophobicContact CG1-CZ 3.46Å; V133-F135 VanDerWaalsContact CG1-CZ 3.46Å; V133-T151 HydrophobicContact CB-CG2 4.49Å; V133-T151 HydrophobicContact CG1-CG2 3.78Å; V133-T151 HydrophobicContact CG2-CG2 3.86Å; V133-V153 HydrophobicContact CG2-CG1 3.93Å; V133-V230 WeakPolarHBondContact CA-O 3.47Å; V133-V230 HydrophobicContact CG1-CB 4.44Å; V133-V230 HydrophobicContact CG2-CB 4.15Å; V133-Y232 HydrophobicContact CG1-CD2 3.79Å; V133-Y232 HydrophobicContact CG1-CE2 3.64Å
134T96.4Very high90.9Very high0 Ų018.8 Ų18.80%011%0.113CC..EExtended strand (participates in β ladder)trans-113.7131.3-177.367.40000111.9W118 L132 V229 V230 Y232W118-T134 HydrophobicContact CH2-CG2 4.02Å; W118-T134 HydrophobicContact CZ2-CG2 3.6Å; L132-T134 HydrophobicContact CD2-CG2 3.89Å; L132-T134 HydrophobicContact CG-CG2 3.82Å; T134-V229 HydrophobicContact CG2-CG1 4.08Å; T134-V230 PolarHBondContact N-O 2.97Å; T134-Y232 PolarHBondContact O-N 3.21Å
135F91.7Very high90.5Very high1 Ų119 Ų190%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-120.8143.3173.3-59.6-76.3000111.5A109 I110 F111 V133 A137 L139 I144 L148 Y232 A277A109-F135 HydrophobicContact CB-CD2 4.28Å; A109-F135 HydrophobicContact CB-CE2 3.86Å; I110-F135 PolarHBondContact O-N 2.98Å; F111-F135 HydrophobicContact CB-CB 4.46Å; F111-F135 HydrophobicContact CD2-CB 3.87Å; V133-F135 HydrophobicContact CB-CE2 4.33Å; V133-F135 HydrophobicContact CG1-CD2 4.31Å; V133-F135 HydrophobicContact CG1-CE1 4.29Å; V133-F135 HydrophobicContact CG1-CE2 3.48Å; V133-F135 VanDerWaalsContact CG1-CE2 3.48Å; V133-F135 HydrophobicContact CG1-CZ 3.46Å; V133-F135 VanDerWaalsContact CG1-CZ 3.46Å; F135-A137 PolarHBondContact O-N 3.41Å; F135-L139 HydrophobicContact CB-CD2 4.3Å; F135-L139 HydrophobicContact CD1-CD2 3.79Å; F135-L139 HydrophobicContact CG-CD2 4.42Å; F135-I144 HydrophobicContact CB-CD1 3.75Å; F135-I144 HydrophobicContact CD1-CD1 3.84Å; F135-I144 HydrophobicContact CD2-CD1 3.43Å; F135-I144 VanDerWaalsContact CD2-CD1 3.43Å; F135-I144 HydrophobicContact CE1-CD1 4.29Å; F135-I144 HydrophobicContact CE2-CD1 3.92Å; F135-I144 HydrophobicContact CG-CD1 3.37Å; F135-I144 HydrophobicContact CZ-CD1 4.32Å; F135-L148 HydrophobicContact CD2-CD2 4.37Å; F135-L148 HydrophobicContact CE2-CD2 3.67Å; F135-L148 HydrophobicContact CE2-CG 4.27Å; F135-L148 HydrophobicContact CZ-CD2 4.34Å; F135-Y232 AromaticContact CD1-CD2 3.92Å; F135-Y232 HydrophobicContact CD1-CD2 3.92Å; F135-Y232 AromaticContact CD1-CG 3.92Å; F135-Y232 HydrophobicContact CD1-CG 3.92Å; F135-Y232 HydrophobicContact CE1-CD1 4.04Å; F135-Y232 AromaticContact CE1-CD2 3.24Å; F135-Y232 HydrophobicContact CE1-CD2 3.24Å; F135-Y232 HydrophobicContact CE1-CE1 4.32Å; F135-Y232 AromaticContact CE1-CE2 3.57Å; F135-Y232 HydrophobicContact CE1-CE2 3.57Å; F135-Y232 AromaticContact CE1-CG 3.49Å; F135-Y232 HydrophobicContact CE1-CG 3.49Å; F135-Y232 VanDerWaalsContact CE1-CG 3.49Å; F135-Y232 AromaticContact CZ-CD2 3.74Å; F135-Y232 HydrophobicContact CZ-CD2 3.74Å; F135-Y232 AromaticContact CZ-CE2 3.71Å; F135-Y232 HydrophobicContact CZ-CE2 3.71Å; F135-Y232 HydrophobicContact CZ-CG 4.41Å; F135-A277 WeakPolarHBondContact O-CB 3.35Å
136Y86.8Confident90Very high27 Ų2722.9 Ų22.911%0.10613%0.13CC..  trans-62.8130.8170.5-79.6-85000110.9F111 T138 L139 P275 A277 H278 D641F111-Y136 WeakPolarHBondContact CD2-O 3.43Å; F111-Y136 WeakPolarHBondContact CE2-O 3.42Å; Y136-T138 PolarHBondContact O-N 3.44Å; Y136-T138 VanDerWaalsContact O-N 3.11Å; Y136-L139 WeakPolarHBondContact O-CB 3.43Å; Y136-L139 PolarHBondContact O-N 3.07Å; Y136-P275 HydrophobicContact CD1-CB 4.03Å; Y136-P275 HydrophobicContact CD1-CG 4.46Å; Y136-P275 HydrophobicContact CE1-CB 3.94Å; Y136-P275 HydrophobicContact CE1-CG 4.31Å; Y136-A277 HydrophobicContact CD1-CB 4.31Å; Y136-A277 HydrophobicContact CD2-CB 4.35Å; Y136-A277 HydrophobicContact CG-CB 4.22Å; Y136-H278 HydrophobicContact CE1-CB 4.11Å; Y136-H278 VanDerWaalsContact OH-CB 3.24Å; Y136-H278 WeakPolarHBondContact OH-CB 3.18Å; Y136-H278 PolarHBondContact OH-CD2 2.76Å; Y136-D641 VanDerWaalsContact CB-OD2 3.29Å; Y136-D641 WeakPolarHBondContact CB-OD2 3.25Å; Y136-D641 HydrophobicContact CD1-CB 3.56Å; Y136-D641 WeakPolarHBondContact CD1-OD2 3.46Å; Y136-D641 HydrophobicContact CE1-CB 3.93Å
137A85.5Confident89.6Confident14 Ų1422.9 Ų22.912%0.11613%0.129CC..THydrogen-bonded Turntrans-56-28.3177.100000113.5F111 E113 F135 L139 L162 K166F111-A137 WeakPolarHBondContact CE2-O 3.3Å; F111-A137 WeakPolarHBondContact CZ-O 3.44Å; E113-A137 HydrophobicContact CG-CB 3.9Å; F135-A137 PolarHBondContact O-N 3.41Å; A137-L139 VanDerWaalsContact C-N 3.33Å; A137-L162 HydrophobicContact CB-CD1 3.8Å; A137-L162 HydrophobicContact CB-CD2 4.43Å; A137-L162 VanDerWaalsContact O-CD2 3.28Å; A137-L162 WeakPolarHBondContact O-CD2 3.27Å; A137-K166 PolarHBondContact O-NZ 2.88Å
138T76.9Confident89.4Confident51 Ų5122.5 Ų22.531%0.31313%0.128SC..THydrogen-bonded Turntrans-86.6-4.5178.582.40000113.8Y136 G140 K166 P634 D641Y136-T138 PolarHBondContact O-N 3.44Å; Y136-T138 VanDerWaalsContact O-N 3.11Å; T138-G140 PolarHBondContact O-N 3.31Å; T138-K166 PolarHBondContact O-NZ 3.37Å; T138-P634 HydrophobicContact CG2-CB 3.95Å; T138-D641 WeakPolarHBondContact CB-OD1 3.33Å; T138-D641 WeakPolarHBondContact CB-OD2 3.5Å; T138-D641 WeakPolarHBondContact CG2-OD1 3.43Å; T138-D641 VanDerWaalsContact CG2-OD2 3.25Å; T138-D641 WeakPolarHBondContact CG2-OD2 3.3Å; T138-D641 PolarHBondContact N-OD2 2.63Å; T138-D641 PolarHBondContact OG1-OD1 3.43Å; T138-D641 PolarHBondContact OG1-OD2 3.19Å
139L79.1Confident89.2Confident27 Ų2724.7 Ų24.714%0.14114%0.14CC..  trans-51.3138.4-178.6-167.464.6000109.9F111 F135 Y136 A137 A143 I144 K166F111-L139 HydrophobicContact CE2-CB 4.16Å; F135-L139 HydrophobicContact CB-CD2 4.3Å; F135-L139 HydrophobicContact CD1-CD2 3.79Å; F135-L139 HydrophobicContact CG-CD2 4.42Å; Y136-L139 WeakPolarHBondContact O-CB 3.43Å; Y136-L139 PolarHBondContact O-N 3.07Å; A137-L139 VanDerWaalsContact C-N 3.33Å; L139-A143 HydrophobicContact CD1-CB 3.71Å; L139-A143 HydrophobicContact CD2-CB 4.16Å; L139-A143 HydrophobicContact CG-CB 3.75Å; L139-I144 HydrophobicContact CD2-CB 4.19Å; L139-I144 HydrophobicContact CD2-CD1 4.5Å; L139-K166 PolarHBondContact O-NZ 3.16Å
140G76.1Confident89Confident40 Ų4027.2 Ų27.241%0.41215%0.152SC..  trans-68.3154.6-178.900000111.7T138 D142 A143 I144T138-G140 PolarHBondContact O-N 3.31Å; G140-D142 PolarHBondContact O-N 3.45Å; G140-A143 PolarHBondContact O-N 3.32Å; G140-A143 VanDerWaalsContact O-N 3.09Å; G140-I144 WeakPolarHBondContact O-CG2 3.5Å; G140-I144 PolarHBondContact O-N 3.05Å
141E84Confident88.8Confident56 Ų5627.5 Ų27.526%0.26215%0.154SC..Hα-helixtrans-50.5-48.9-176.3-68.6-177.3-174.600112.9A143 I144 A145 K166 K169 V170E141-A143 PolarHBondContact O-N 3.33Å; E141-I144 WeakPolarHBondContact O-CG2 3.31Å; E141-I144 PolarHBondContact O-N 3.46Å; E141-A145 PolarHBondContact O-N 2.92Å; E141-A145 VanDerWaalsContact O-N 3.11Å; E141-K166 HydrophobicContact CG-CB 4.28Å; E141-K169 IonicContact OE1-NZ 2.76Å; E141-K169 PolarHBondContact OE1-NZ 3Å; E141-K169 IonicContact OE2-NZ 3.54Å; E141-V170 HydrophobicContact CB-CG1 3.67Å; E141-V170 HydrophobicContact CG-CG1 4.48Å
142D81.2Confident88.5Confident123 Ų12328 Ų2866%0.65816%0.16SC*.Hα-helixtrans-67.4-36.7179.9-61.3-30.2000113G140 A145 Y146G140-D142 PolarHBondContact O-N 3.45Å; D142-A145 PolarHBondContact O-N 3.06Å; D142-Y146 WeakPolarHBondContact O-CB 3.39Å; D142-Y146 PolarHBondContact O-N 2.75Å
143A81.1Confident88.4Confident27 Ų2728.1 Ų28.122%0.22316%0.161CC..Hα-helixtrans-73.5-34.8-177.400000111.8L139 G140 E141 G147 P240L139-A143 HydrophobicContact CD1-CB 3.71Å; L139-A143 HydrophobicContact CD2-CB 4.16Å; L139-A143 HydrophobicContact CG-CB 3.75Å; G140-A143 PolarHBondContact O-N 3.32Å; G140-A143 VanDerWaalsContact O-N 3.09Å; E141-A143 PolarHBondContact O-N 3.33Å; A143-G147 PolarHBondContact O-N 3.26Å; A143-G147 VanDerWaalsContact O-N 3.08Å; A143-P240 HydrophobicContact CB-CG 4.32Å
144I87.9Confident88.4Confident0 Ų029.8 Ų29.80%017%0.171CC..Hα-helixtrans-69.3-42.9172.3-176.361.4000110.9F111 F135 L139 G140 E141 Y146 G147 L148 L167 V170F111-I144 HydrophobicContact CB-CD1 4.25Å; F111-I144 HydrophobicContact CD2-CD1 3.95Å; F111-I144 HydrophobicContact CD2-CG1 4.3Å; F111-I144 HydrophobicContact CE2-CD1 4.46Å; F111-I144 HydrophobicContact CE2-CG1 4.44Å; F111-I144 HydrophobicContact CG-CD1 4.1Å; F111-I144 HydrophobicContact CG-CG1 4.33Å; F135-I144 HydrophobicContact CB-CD1 3.75Å; F135-I144 HydrophobicContact CD1-CD1 3.84Å; F135-I144 HydrophobicContact CD2-CD1 3.43Å; F135-I144 VanDerWaalsContact CD2-CD1 3.43Å; F135-I144 HydrophobicContact CE1-CD1 4.29Å; F135-I144 HydrophobicContact CE2-CD1 3.92Å; F135-I144 HydrophobicContact CG-CD1 3.37Å; F135-I144 HydrophobicContact CZ-CD1 4.32Å; L139-I144 HydrophobicContact CD2-CB 4.19Å; L139-I144 HydrophobicContact CD2-CD1 4.5Å; G140-I144 WeakPolarHBondContact O-CG2 3.5Å; G140-I144 PolarHBondContact O-N 3.05Å; E141-I144 WeakPolarHBondContact O-CG2 3.31Å; E141-I144 PolarHBondContact O-N 3.46Å; I144-Y146 VanDerWaalsContact C-N 3.3Å; I144-Y146 PolarHBondContact O-N 3.32Å; I144-G147 PolarHBondContact O-N 3.36Å; I144-L148 HydrophobicContact CD1-CD1 4.03Å; I144-L148 HydrophobicContact CD1-CD2 4.35Å; I144-L148 HydrophobicContact CD1-CG 3.94Å; I144-L148 HydrophobicContact CG1-CD1 3.8Å; I144-L148 HydrophobicContact CG1-CG 4.18Å; I144-L148 WeakPolarHBondContact O-CB 3.45Å; I144-L148 VanDerWaalsContact O-CG 3.28Å; I144-L148 WeakPolarHBondContact O-CG 3.44Å; I144-L148 PolarHBondContact O-N 3.5Å; I144-L167 HydrophobicContact CG1-CD2 4.05Å; I144-L167 HydrophobicContact CG2-CD2 4.46Å; I144-V170 HydrophobicContact CG2-CG2 4.39Å
145A90.6Very high88.4Confident3 Ų330 Ų303%0.02517%0.172CC..Hα-helixtrans-60.4-40.917600000112.1E141 D142 N149 V170 I174E141-A145 PolarHBondContact O-N 2.92Å; E141-A145 VanDerWaalsContact O-N 3.11Å; D142-A145 PolarHBondContact O-N 3.06Å; A145-N149 WeakPolarHBondContact O-CB 3.41Å; A145-N149 PolarHBondContact O-N 3.41Å; A145-N149 VanDerWaalsContact O-N 3.13Å; A145-N149 PolarHBondContact O-ND2 3.29Å; A145-V170 HydrophobicContact CB-CB 4.1Å; A145-V170 HydrophobicContact CB-CG2 4.41Å; A145-I174 HydrophobicContact CB-CG1 4.34Å
146Y88.4Confident88.7Confident83 Ų8329.9 Ų29.933%0.32517%0.172SC..Hα-helixtrans-58.7-53.5173175.3-91.4000111.7D142 I144 L148 N149 E150 P240D142-Y146 WeakPolarHBondContact O-CB 3.39Å; D142-Y146 PolarHBondContact O-N 2.75Å; I144-Y146 VanDerWaalsContact C-N 3.3Å; I144-Y146 PolarHBondContact O-N 3.32Å; Y146-L148 PolarHBondContact O-N 2.77Å; Y146-N149 PolarHBondContact O-N 2.86Å; Y146-E150 HydrophobicContact CE1-CB 4.39Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.31Å; Y146-E150 VanDerWaalsContact CZ-OE1 3.3Å; Y146-E150 WeakPolarHBondContact O-CB 3.43Å; Y146-E150 PolarHBondContact O-N 3.13Å; Y146-E150 PolarHBondContact OH-OE1 3.46Å; Y146-P240 HydrophobicContact CD1-CG 4.32Å
147G90.2Very high89.3Confident0 Ų028.7 Ų28.70%017%0.167CC..Hα-helixtrans-63.3-39.7-176.800000113.3A143 I144 T151A143-G147 PolarHBondContact O-N 3.26Å; A143-G147 VanDerWaalsContact O-N 3.08Å; I144-G147 PolarHBondContact O-N 3.36Å; G147-T151 WeakPolarHBondContact O-CB 3.49Å; G147-T151 WeakPolarHBondContact O-CG2 3.32Å; G147-T151 PolarHBondContact O-N 2.82Å; G147-T151 PolarHBondContact O-OG1 3.45Å
148L94Very high89.9Confident1 Ų128 Ų281%0.00516%0.161CC..Hα-helixtrans-66.1-38.6177-66.8172.7000112.1A109 F135 I144 Y146 T151 G152 V153 L156 L167 I174A109-L148 HydrophobicContact CB-CD2 3.53Å; F135-L148 HydrophobicContact CD2-CD2 4.37Å; F135-L148 HydrophobicContact CE2-CD2 3.67Å; F135-L148 HydrophobicContact CE2-CG 4.27Å; F135-L148 HydrophobicContact CZ-CD2 4.34Å; I144-L148 HydrophobicContact CD1-CD1 4.03Å; I144-L148 HydrophobicContact CD1-CD2 4.35Å; I144-L148 HydrophobicContact CD1-CG 3.94Å; I144-L148 HydrophobicContact CG1-CD1 3.8Å; I144-L148 HydrophobicContact CG1-CG 4.18Å; I144-L148 WeakPolarHBondContact O-CB 3.45Å; I144-L148 VanDerWaalsContact O-CG 3.28Å; I144-L148 WeakPolarHBondContact O-CG 3.44Å; I144-L148 PolarHBondContact O-N 3.5Å; Y146-L148 PolarHBondContact O-N 2.77Å; L148-T151 PolarHBondContact O-OG1 3.05Å; L148-G152 PolarHBondContact O-N 3.28Å; L148-G152 VanDerWaalsContact O-N 3.12Å; L148-V153 HydrophobicContact CB-CG2 4.15Å; L148-V153 HydrophobicContact CD2-CG2 3.46Å; L148-V153 VanDerWaalsContact CD2-CG2 3.46Å; L148-V153 HydrophobicContact CG-CG2 4.4Å; L148-V153 PolarHBondContact O-N 3.36Å; L148-L156 HydrophobicContact CD1-CD2 4.09Å; L148-L156 HydrophobicContact CD2-CD1 4.09Å; L148-L167 HydrophobicContact CD1-CD2 4.39Å; L148-I174 HydrophobicContact CB-CD1 4.49Å; L148-I174 HydrophobicContact CB-CG2 4.06Å; L148-I174 HydrophobicContact CD1-CD1 3.54Å; L148-I174 HydrophobicContact CD1-CG1 4.43Å
149N93.8Very high90.7Very high55 Ų5525.7 Ų25.729%0.29415%0.147SC..Hα-helixtrans-72.1-42.4175.6-80.9-54.2000112.5A145 Y146 T151 G152 Q173 S175A145-N149 WeakPolarHBondContact O-CB 3.41Å; A145-N149 PolarHBondContact O-N 3.41Å; A145-N149 VanDerWaalsContact O-N 3.13Å; A145-N149 PolarHBondContact O-ND2 3.29Å; Y146-N149 PolarHBondContact O-N 2.86Å; N149-T151 VanDerWaalsContact C-N 3.35Å; N149-T151 PolarHBondContact O-N 2.86Å; N149-G152 PolarHBondContact O-N 2.88Å; N149-G152 VanDerWaalsContact O-N 3.16Å; N149-Q173 PolarHBondContact ND2-O 3.34Å; N149-S175 PolarHBondContact OD1-N 2.83Å; N149-S175 VanDerWaalsContact OD1-N 3.08Å; N149-S175 PolarHBondContact OD1-OG 2.9Å; N149-S175 VanDerWaalsContact OD1-OG 3.12Å
150E93Very high91.3Very high56 Ų5626.8 Ų26.826%0.26215%0.152SC..Hα-helixtrans-60.8-44.1179-176.6177.6-113.400111.2Y146 G152 Y232 F486Y146-E150 HydrophobicContact CE1-CB 4.39Å; Y146-E150 WeakPolarHBondContact CE1-OE1 3.31Å; Y146-E150 VanDerWaalsContact CZ-OE1 3.3Å; Y146-E150 WeakPolarHBondContact O-CB 3.43Å; Y146-E150 PolarHBondContact O-N 3.13Å; Y146-E150 PolarHBondContact OH-OE1 3.46Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 2.66Å; E150-Y232 VanDerWaalsContact OE2-CE1 3.29Å; E150-Y232 WeakPolarHBondContact OE2-CE1 3.28Å; E150-Y232 VanDerWaalsContact OE2-CZ 3.3Å; E150-Y232 PolarHBondContact OE2-OH 2.97Å; E150-F486 HydrophobicContact CG-CD1 4.43Å; E150-F486 WeakPolarHBondContact O-CE1 3.48Å
151T93.1Very high92Very high9 Ų930.7 Ų30.76%0.05516%0.16CC..Hα-helixtrans-78.2-12.9177.153.70000114.4T107 V133 G147 L148 N149 V153 Y232 F486T107-T151 PolarHBondContact OG1-O 3.21Å; V133-T151 HydrophobicContact CB-CG2 4.49Å; V133-T151 HydrophobicContact CG1-CG2 3.78Å; V133-T151 HydrophobicContact CG2-CG2 3.86Å; G147-T151 WeakPolarHBondContact O-CB 3.49Å; G147-T151 WeakPolarHBondContact O-CG2 3.32Å; G147-T151 PolarHBondContact O-N 2.82Å; G147-T151 PolarHBondContact O-OG1 3.45Å; L148-T151 PolarHBondContact O-OG1 3.05Å; N149-T151 VanDerWaalsContact C-N 3.35Å; N149-T151 PolarHBondContact O-N 2.86Å; T151-V153 PolarHBondContact O-N 3.12Å; T151-V153 WeakPolarHBondContact OG1-CG1 3.49Å; T151-Y232 HydrophobicContact CG2-CE2 3.62Å; T151-Y232 VanDerWaalsContact CG2-OH 3.27Å; T151-Y232 WeakPolarHBondContact CG2-OH 3.11Å; T151-F486 HydrophobicContact CG2-CD1 4.28Å; T151-F486 HydrophobicContact CG2-CE1 4.22Å
152G93.4Very high92.3Very high16 Ų1628.3 Ų28.317%0.16515%0.149CC..THydrogen-bonded Turntrans5929.9178.600000114.5L148 N149 E150L148-G152 PolarHBondContact O-N 3.28Å; L148-G152 VanDerWaalsContact O-N 3.12Å; N149-G152 PolarHBondContact O-N 2.88Å; N149-G152 VanDerWaalsContact O-N 3.16Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 2.66Å
153V95.6Very high92.9Very high1 Ų122.5 Ų22.51%0.00612%0.118CC..  trans-63.9144.9-176.4-700000112T107 A109 V133 L148 T151 K176T107-V153 WeakPolarHBondContact OG1-CG1 3.4Å; A109-V153 HydrophobicContact CB-CB 4.34Å; A109-V153 HydrophobicContact CB-CG1 4.08Å; A109-V153 HydrophobicContact CB-CG2 3.97Å; V133-V153 HydrophobicContact CG2-CG1 3.93Å; L148-V153 HydrophobicContact CB-CG2 4.15Å; L148-V153 HydrophobicContact CD2-CG2 3.46Å; L148-V153 VanDerWaalsContact CD2-CG2 3.46Å; L148-V153 HydrophobicContact CG-CG2 4.4Å; L148-V153 PolarHBondContact O-N 3.36Å; T151-V153 PolarHBondContact O-N 3.12Å; T151-V153 WeakPolarHBondContact OG1-CG1 3.49Å; V153-K176 CarbonylContact O-C 3.55Å
154T96.8Very high93.3Very high36 Ų3624.3 Ų24.322%0.22112%0.121CC..SBendtrans-104-20.6176.756.40000112.8Q102 K176 K178 H179Q102-T154 PolarHBondContact OE1-OG1 3.21Å; T154-K176 WeakPolarHBondContact CA-O 3.44Å; T154-K178 PolarHBondContact O-N 2.83Å; T154-H179 PolarHBondContact O-N 2.74Å
155H98.2Very high93.1Very high3 Ų327 Ų271%0.01414%0.14CC..EExtended strand (participates in β ladder)trans-124.2136.2-178.7-65.376.3000109.8Q102 I108 A109 H179 I181Q102-H155 PolarHBondContact OE1-CE1 2.98Å; Q102-H155 PolarHBondContact OE1-ND1 2.98Å; I108-H155 HydrophobicContact CB-CB 4.43Å; I108-H155 HydrophobicContact CD1-CB 3.72Å; I108-H155 HydrophobicContact CG1-CB 3.74Å; A109-H155 PolarHBondContact N-O 2.53Å; H155-H179 WeakPolarHBondContact CA-O 3.43Å; H155-H179 AromaticContact CD2-CD2 3.75Å; H155-H179 AromaticContact CD2-CG 3.84Å; H155-H179 AromaticContact CE1-CD2 3.67Å; H155-H179 AromaticContact NE2-CD2 3.23Å; H155-H179 PolarHBondContact NE2-CD2 3.38Å; H155-H179 AromaticContact NE2-CG 3.74Å; H155-I181 HydrophobicContact CB-CD1 4.45Å
156L98.1Very high92.9Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-131.5124.4176.7174.961.5000110.2A109 F111 L148 L167 L177 H179 I180 I181A109-L156 HydrophobicContact CB-CD1 3.64Å; A109-L156 CarbonylContact O-C 3.6Å; A109-L156 WeakPolarHBondContact O-CA 3.37Å; F111-L156 HydrophobicContact CB-CD1 3.95Å; L148-L156 HydrophobicContact CD1-CD2 4.09Å; L148-L156 HydrophobicContact CD2-CD1 4.09Å; L156-L167 HydrophobicContact CD2-CD1 3.62Å; L156-L167 HydrophobicContact CD2-CD2 4.04Å; L156-L167 HydrophobicContact CD2-CG 4.5Å; L156-L177 HydrophobicContact CB-CD1 3.62Å; L156-L177 HydrophobicContact CB-CD2 4.37Å; L156-L177 HydrophobicContact CD2-CD2 4.15Å; L156-H179 PolarHBondContact N-O 3.17Å; L156-I180 CarbonylContact O-C 3.59Å; L156-I180 WeakPolarHBondContact O-CA 3.47Å; L156-I181 PolarHBondContact O-N 3.21Å
157V98.4Very high93Very high1 Ų124.9 Ų24.91%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-98.6130.1170-172.90000109.5F93 I108 A109 I110 F111 T121 I181 V183F93-V157 HydrophobicContact CZ-CG2 4.31Å; I108-V157 HydrophobicContact CD1-CG2 4.29Å; A109-V157 PolarHBondContact O-N 3.35Å; I110-V157 WeakPolarHBondContact CA-O 3.42Å; I110-V157 HydrophobicContact CG1-CB 4.19Å; F111-V157 PolarHBondContact N-O 2.75Å; T121-V157 HydrophobicContact CG2-CB 4.3Å; T121-V157 HydrophobicContact CG2-CG1 4.48Å; T121-V157 HydrophobicContact CG2-CG2 3.79Å; V157-I181 CarbonylContact C-O 3.57Å; V157-I181 VanDerWaalsContact CA-O 3.29Å; V157-I181 WeakPolarHBondContact CA-O 3.48Å; V157-I181 HydrophobicContact CG2-CB 4.21Å; V157-I181 HydrophobicContact CG2-CD1 4.39Å; V157-V183 HydrophobicContact CG1-CG1 3.67Å
158T97.4Very high92.9Very high0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-150.6168.5-175.1-166.30000112.6F111 L163 L167 I180 I181 Y182 V183F111-T158 VanDerWaalsContact O-CA 3.24Å; F111-T158 WeakPolarHBondContact O-CA 3.22Å; F111-T158 VanDerWaalsContact O-CB 3.26Å; F111-T158 WeakPolarHBondContact O-CB 3.38Å; F111-T158 PolarHBondContact O-OG1 3Å; T158-L163 HydrophobicContact CG2-CB 3.97Å; T158-L163 HydrophobicContact CG2-CD1 4.38Å; T158-L167 HydrophobicContact CG2-CD1 3.84Å; T158-I180 HydrophobicContact CG2-CG2 3.86Å; T158-I181 PolarHBondContact N-O 2.94Å; T158-Y182 VanDerWaalsContact O-CA 3.23Å; T158-Y182 WeakPolarHBondContact O-CA 3.37Å; T158-V183 PolarHBondContact O-N 3.16Å; T158-V183 VanDerWaalsContact O-N 3.1Å
159S94.9Very high92.5Very high3 Ų334.5 Ų34.52%0.02117%0.174CC..  trans-87153.9168.464.40000110.8E113 E161 L162 L163 D184E113-S159 VanDerWaalsContact OE2-CB 3.31Å; E113-S159 WeakPolarHBondContact OE2-CB 3.3Å; E113-S159 PolarHBondContact OE2-OG 3.36Å; S159-E161 PolarHBondContact O-N 2.93Å; S159-L162 PolarHBondContact O-N 2.82Å; S159-L162 WeakPolarHBondContact OG-CD1 3.28Å; S159-L162 VanDerWaalsContact OG-CG 3.26Å; S159-L162 WeakPolarHBondContact OG-CG 3.5Å; S159-L162 PolarHBondContact OG-N 2.87Å; S159-L163 WeakPolarHBondContact O-CB 3.18Å; S159-L163 PolarHBondContact O-N 3.45Å; S159-D184 WeakPolarHBondContact CA-OD2 3.43Å
160M91.9Very high92.3Very high49 Ų4932 Ų3224%0.24116%0.161CC..Hα-helixtrans-58.4-37.5176.6178.2174.7-171.700111.5L163 E164 D184 K186 V188M160-L163 PolarHBondContact O-N 3.29Å; M160-E164 PolarHBondContact O-N 3.04Å; M160-E164 VanDerWaalsContact O-N 3.11Å; M160-D184 HydrophobicContact CB-CB 4.02Å; M160-D184 WeakPolarHBondContact CB-OD2 3.25Å; M160-D184 PolarHBondContact N-OD2 2.89Å; M160-K186 HydrophobicContact SD-CB 3.91Å; M160-V188 HydrophobicContact CB-CG2 4.45Å; M160-V188 HydrophobicContact CE-CG2 4.08Å; M160-V188 HydrophobicContact CG-CG2 3.91Å; M160-V188 HydrophobicContact SD-CG2 4.07Å
161E89.5Confident92.2Very high122 Ų12229.7 Ų29.757%0.5715%0.15SC*.Hα-helixtrans-62-48176.9-177.4170.9178.400111.3S159 S165S159-E161 PolarHBondContact O-N 2.93Å; E161-S165 WeakPolarHBondContact O-CB 3.38Å; E161-S165 PolarHBondContact O-N 3.4Å; E161-S165 PolarHBondContact O-OG 2.89Å
162L91.9Very high92.1Very high7 Ų734.1 Ų34.14%0.03718%0.179CC..Hα-helixtrans-69.9-34.8178.9-68.5175.5000112.8F111 E113 A137 S159 K166 L167F111-L162 HydrophobicContact CD1-CB 3.99Å; F111-L162 HydrophobicContact CD1-CD1 4.03Å; F111-L162 HydrophobicContact CE1-CB 3.72Å; F111-L162 HydrophobicContact CE1-CD1 4.04Å; F111-L162 HydrophobicContact CE1-CD2 4.02Å; F111-L162 HydrophobicContact CE1-CG 4.15Å; F111-L162 HydrophobicContact CG-CD1 4.4Å; F111-L162 HydrophobicContact CZ-CD1 4.39Å; F111-L162 HydrophobicContact CZ-CD2 4.05Å; F111-L162 VanDerWaalsContact O-CD1 3.29Å; F111-L162 WeakPolarHBondContact O-CD1 3.46Å; E113-L162 WeakPolarHBondContact OE1-CD1 3.25Å; E113-L162 WeakPolarHBondContact OE1-CG 3.47Å; A137-L162 HydrophobicContact CB-CD1 3.8Å; A137-L162 HydrophobicContact CB-CD2 4.43Å; A137-L162 VanDerWaalsContact O-CD2 3.28Å; A137-L162 WeakPolarHBondContact O-CD2 3.27Å; S159-L162 PolarHBondContact O-N 2.82Å; S159-L162 WeakPolarHBondContact OG-CD1 3.28Å; S159-L162 VanDerWaalsContact OG-CG 3.26Å; S159-L162 WeakPolarHBondContact OG-CG 3.5Å; S159-L162 PolarHBondContact OG-N 2.87Å; L162-K166 HydrophobicContact CD2-CD 4.05Å; L162-K166 PolarHBondContact O-N 3.32Å; L162-L167 PolarHBondContact O-N 3.05Å
163L92.6Very high91.9Very high0 Ų038.5 Ų38.50%020%0.195CC..Iπ-helixtrans-58.3-52.9175.4-178.456.5000111.4T158 S159 M160 L167 K168 I180 V188 Y193 I199T158-L163 HydrophobicContact CG2-CB 3.97Å; T158-L163 HydrophobicContact CG2-CD1 4.38Å; S159-L163 WeakPolarHBondContact O-CB 3.18Å; S159-L163 PolarHBondContact O-N 3.45Å; M160-L163 PolarHBondContact O-N 3.29Å; L163-L167 HydrophobicContact CD1-CB 4.14Å; L163-L167 HydrophobicContact CD1-CD1 4.12Å; L163-L167 PolarHBondContact O-N 2.79Å; L163-K168 PolarHBondContact O-N 3.2Å; L163-I180 HydrophobicContact CD1-CD1 3.84Å; L163-I180 HydrophobicContact CD1-CG2 3.95Å; L163-I180 HydrophobicContact CD2-CG2 4.19Å; L163-V188 HydrophobicContact CD2-CG1 4.18Å; L163-V188 HydrophobicContact CD2-CG2 4.37Å; L163-Y193 HydrophobicContact CD1-CE1 3.87Å; L163-Y193 HydrophobicContact CG-CE1 4.22Å; L163-Y193 WeakPolarHBondContact CG-OH 3.28Å; L163-I199 HydrophobicContact CD2-CG2 4.38Å
164E89.1Confident91.7Very high65 Ų6539.2 Ų39.230%0.30420%0.199SC..Iπ-helixtrans-75.5-40.2-178.2-69.4-63.4153.500112.8M160 K168 V188 Y193M160-E164 PolarHBondContact O-N 3.04Å; M160-E164 VanDerWaalsContact O-N 3.11Å; E164-K168 WeakPolarHBondContact OE2-CD 3.41Å; E164-K168 IonicContact OE2-NZ 2.73Å; E164-K168 PolarHBondContact OE2-NZ 3.46Å; E164-V188 WeakPolarHBondContact OE1-CG1 3.21Å; E164-Y193 VanDerWaalsContact CD-OH 3.24Å; E164-Y193 PolarHBondContact OE1-OH 3.15Å
165S85.4Confident91.3Very high56 Ų5642.1 Ų42.139%0.39222%0.221SC..Iπ-helixtrans-79.9-32.2-172.363.70000114.2E161E161-S165 WeakPolarHBondContact O-CB 3.38Å; E161-S165 PolarHBondContact O-N 3.4Å; E161-S165 PolarHBondContact O-OG 2.89Å
166K85.3Confident91.1Very high42 Ų4247.8 Ų47.818%0.18325%0.245CC..Iπ-helixtrans-125.5-48.3-171.1-68.4-175.3173-1680113.9F111 A137 T138 L139 E141 L162F111-K166 HydrophobicContact CE1-CB 4.31Å; F111-K166 HydrophobicContact CE1-CD 4.26Å; F111-K166 HydrophobicContact CZ-CB 4.5Å; F111-K166 HydrophobicContact CZ-CD 3.77Å; A137-K166 PolarHBondContact O-NZ 2.88Å; T138-K166 PolarHBondContact O-NZ 3.37Å; L139-K166 PolarHBondContact O-NZ 3.16Å; E141-K166 HydrophobicContact CG-CB 4.28Å; L162-K166 HydrophobicContact CD2-CD 4.05Å; L162-K166 PolarHBondContact O-N 3.32Å
167L90.3Very high91Very high0 Ų048.7 Ų48.70%025%0.25CC..Iπ-helixtrans-71.2-44.1-172.1-71.6171.4000111.8F111 I144 L148 L156 T158 L162 L163 K169 V170 L171F111-L167 HydrophobicContact CD1-CD1 3.9Å; F111-L167 HydrophobicContact CD1-CD2 4.08Å; F111-L167 HydrophobicContact CD1-CG 3.95Å; F111-L167 HydrophobicContact CE1-CD1 4.41Å; F111-L167 HydrophobicContact CE1-CD2 4.25Å; F111-L167 HydrophobicContact CE1-CG 4.02Å; I144-L167 HydrophobicContact CG1-CD2 4.05Å; I144-L167 HydrophobicContact CG2-CD2 4.46Å; L148-L167 HydrophobicContact CD1-CD2 4.39Å; L156-L167 HydrophobicContact CD2-CD1 3.62Å; L156-L167 HydrophobicContact CD2-CD2 4.04Å; L156-L167 HydrophobicContact CD2-CG 4.5Å; T158-L167 HydrophobicContact CG2-CD1 3.84Å; L162-L167 PolarHBondContact O-N 3.05Å; L163-L167 HydrophobicContact CD1-CB 4.14Å; L163-L167 HydrophobicContact CD1-CD1 4.12Å; L163-L167 PolarHBondContact O-N 2.79Å; L167-K169 PolarHBondContact O-N 2.77Å; L167-V170 VanDerWaalsContact O-CG2 3.28Å; L167-V170 WeakPolarHBondContact O-CG2 3.16Å; L167-V170 PolarHBondContact O-N 2.88Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.88Å
168K88.4Confident90.9Very high70 Ų7054.4 Ų54.430%0.30428%0.275SS..Hα-helixtrans-47.4-37.8-173.6-167.9168.4-170.3163.70114.5L163 E164 Y193L163-K168 PolarHBondContact O-N 3.2Å; E164-K168 WeakPolarHBondContact OE2-CD 3.41Å; E164-K168 IonicContact OE2-NZ 2.73Å; E164-K168 PolarHBondContact OE2-NZ 3.46Å; K168-Y193 HydrophobicContact CD-CE2 4.41Å; K168-Y193 HydrophobicContact CG-CE1 4.25Å
169K86.6Confident90.9Very high133 Ų13355.8 Ų55.858%0.57828%0.281SS*.Hα-helixtrans-74.7-30179.8-60.2-177.1-156.7144.20114.2E141 L167E141-K169 IonicContact OE1-NZ 2.76Å; E141-K169 PolarHBondContact OE1-NZ 3Å; E141-K169 IonicContact OE2-NZ 3.54Å; L167-K169 PolarHBondContact O-N 2.77Å
170V89.5Confident91Very high2 Ų255.7 Ų55.71%0.01228%0.28CS..Hα-helixtrans-101.8-10.1-175.1-630000113.9E141 I144 A145 L167 P172 Q173 I174E141-V170 HydrophobicContact CB-CG1 3.67Å; E141-V170 HydrophobicContact CG-CG1 4.48Å; I144-V170 HydrophobicContact CG2-CG2 4.39Å; A145-V170 HydrophobicContact CB-CB 4.1Å; A145-V170 HydrophobicContact CB-CG2 4.41Å; L167-V170 VanDerWaalsContact O-CG2 3.28Å; L167-V170 WeakPolarHBondContact O-CG2 3.16Å; L167-V170 PolarHBondContact O-N 2.88Å; V170-P172 VanDerWaalsContact C-N 3.29Å; V170-Q173 WeakPolarHBondContact O-CA 3.29Å; V170-Q173 VanDerWaalsContact O-CB 3.31Å; V170-Q173 WeakPolarHBondContact O-CB 3.47Å; V170-Q173 PolarHBondContact O-N 2.86Å; V170-I174 HydrophobicContact CG2-CD1 4.35Å
171L90.9Very high91.3Very high8 Ų853.3 Ų53.34%0.04227%0.269CS..G310 helixtrans-48.9-41.3175.1-71.8175.6000114.4L167 Q173 I174 L177 I180 Y193 P194 L197L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.88Å; L171-Q173 PolarHBondContact O-N 3.38Å; L171-Q173 VanDerWaalsContact O-N 3.09Å; L171-I174 HydrophobicContact CD2-CD1 4.3Å; L171-I174 PolarHBondContact O-N 3.42Å; L171-L177 HydrophobicContact CD2-CD2 3.81Å; L171-I180 HydrophobicContact CD1-CD1 4.12Å; L171-I180 HydrophobicContact CD2-CD1 3.65Å; L171-Y193 HydrophobicContact CD1-CD1 3.4Å; L171-Y193 HydrophobicContact CD1-CE1 3.63Å; L171-P194 HydrophobicContact CB-CG 4Å; L171-L197 HydrophobicContact CD1-CD2 3.87Å; L171-L197 HydrophobicContact CD2-CD2 4.28Å
172P89.4Confident91.6Very high102 Ų10248.5 Ų48.566%0.66225%0.245SC*.G310 helixtrans-61.6-19.1177.2-24.235.5000114.4V170V170-P172 VanDerWaalsContact C-N 3.29Å
173Q90.1Very high91.7Very high109 Ų10948.6 Ų48.651%0.50925%0.247SC..G310 helixtrans-89.5-8.5179.9-49.8178.335.900112.4N149 V170 L171N149-Q173 PolarHBondContact ND2-O 3.34Å; V170-Q173 WeakPolarHBondContact O-CA 3.29Å; V170-Q173 VanDerWaalsContact O-CB 3.31Å; V170-Q173 WeakPolarHBondContact O-CB 3.47Å; V170-Q173 PolarHBondContact O-N 2.86Å; L171-Q173 PolarHBondContact O-N 3.38Å; L171-Q173 VanDerWaalsContact O-N 3.09Å
174I92Very high91.7Very high15 Ų1550.7 Ų50.78%0.07726%0.257CS..  trans-102.1109.5-173.6-57.6163.4000109A145 L148 V170 L171 L177A145-I174 HydrophobicContact CB-CG1 4.34Å; L148-I174 HydrophobicContact CB-CD1 4.49Å; L148-I174 HydrophobicContact CB-CG2 4.06Å; L148-I174 HydrophobicContact CD1-CD1 3.54Å; L148-I174 HydrophobicContact CD1-CG1 4.43Å; V170-I174 HydrophobicContact CG2-CD1 4.35Å; L171-I174 HydrophobicContact CD2-CD1 4.3Å; L171-I174 PolarHBondContact O-N 3.42Å; I174-L177 HydrophobicContact CG2-CB 3.61Å; I174-L177 HydrophobicContact CG2-CD2 4.32Å
175S88.2Confident91.3Very high98 Ų9857.1 Ų57.169%0.68529%0.288SS*.SBendtrans-82.2-32.6-164.456.80000115.5N149N149-S175 PolarHBondContact OD1-N 2.83Å; N149-S175 VanDerWaalsContact OD1-N 3.08Å; N149-S175 PolarHBondContact OD1-OG 2.9Å; N149-S175 VanDerWaalsContact OD1-OG 3.12Å
176K93.9Very high91.1Very high122 Ų12261.6 Ų61.653%0.5330%0.3SS..SBendtrans-102.9-6.9-171.6-66.2-169.5-177175.10114.5V153 T154 K178V153-K176 CarbonylContact O-C 3.55Å; T154-K176 WeakPolarHBondContact CA-O 3.44Å; K176-K178 PolarHBondContact O-N 3.46Å
177L95.9Very high90.8Very high18 Ų1868.6 Ų68.69%0.09433%0.331CS..  trans-72.3124.9-175.2-173.863.7000110.6L156 L171 I174 I180 L197L156-L177 HydrophobicContact CB-CD1 3.62Å; L156-L177 HydrophobicContact CB-CD2 4.37Å; L156-L177 HydrophobicContact CD2-CD2 4.15Å; L171-L177 HydrophobicContact CD2-CD2 3.81Å; I174-L177 HydrophobicContact CG2-CB 3.61Å; I174-L177 HydrophobicContact CG2-CD2 4.32Å; L177-I180 HydrophobicContact CD2-CD1 4.08Å; L177-I180 HydrophobicContact CD2-CG1 3.98Å; L177-I180 HydrophobicContact CG-CG1 4.43Å; L177-L197 HydrophobicContact CD2-CD1 4.33Å; L177-L197 HydrophobicContact CG-CD1 3.96Å
178K95.8Very high90.4Very high121 Ų12169.4 Ų69.453%0.52634%0.335SS..  trans-116.1-34.3-178.4-65-177.8179.7-177.80112.7T154 K176 S198T154-K178 PolarHBondContact O-N 2.83Å; K176-K178 PolarHBondContact O-N 3.46Å; K178-S198 PolarHBondContact O-N 3.41Å
179H97.3Very high89.9Confident30 Ų3070.3 Ų70.314%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-127.8127.9-175-61.5-70.1000111.4L100 T154 H155 L156 I181 S198 H200L100-H179 PolarHBondContact O-NE2 2.76Å; T154-H179 PolarHBondContact O-N 2.74Å; H155-H179 WeakPolarHBondContact CA-O 3.43Å; H155-H179 AromaticContact CD2-CD2 3.75Å; H155-H179 AromaticContact CD2-CG 3.84Å; H155-H179 AromaticContact CE1-CD2 3.67Å; H155-H179 AromaticContact NE2-CD2 3.23Å; H155-H179 PolarHBondContact NE2-CD2 3.38Å; H155-H179 AromaticContact NE2-CG 3.74Å; L156-H179 PolarHBondContact N-O 3.17Å; H179-I181 HydrophobicContact CB-CD1 4.26Å; H179-S198 WeakPolarHBondContact CA-O 3.31Å; H179-H200 AromaticContact ND1-CD2 3.93Å; H179-H200 AromaticContact ND1-NE2 3.46Å; H179-H200 PolarHBondContact ND1-NE2 3.26Å
180I97.1Very high89.5Confident0 Ų068.2 Ų68.20%034%0.342CS..EExtended strand (participates in β ladder)trans-111.6129.3166.7-63.1-177.5000108.4L156 T158 L163 L171 L177 L197 S198 I199 H200L156-I180 CarbonylContact O-C 3.59Å; L156-I180 WeakPolarHBondContact O-CA 3.47Å; T158-I180 HydrophobicContact CG2-CG2 3.86Å; L163-I180 HydrophobicContact CD1-CD1 3.84Å; L163-I180 HydrophobicContact CD1-CG2 3.95Å; L163-I180 HydrophobicContact CD2-CG2 4.19Å; L171-I180 HydrophobicContact CD1-CD1 4.12Å; L171-I180 HydrophobicContact CD2-CD1 3.65Å; L177-I180 HydrophobicContact CD2-CD1 4.08Å; L177-I180 HydrophobicContact CD2-CG1 3.98Å; L177-I180 HydrophobicContact CG-CG1 4.43Å; I180-L197 HydrophobicContact CD1-CD1 4.35Å; I180-L197 HydrophobicContact CD1-CD2 3.71Å; I180-L197 HydrophobicContact CD1-CG 4.37Å; I180-L197 HydrophobicContact CG1-CD1 4.14Å; I180-L197 HydrophobicContact CG1-CD2 4.3Å; I180-L197 HydrophobicContact CG1-CG 4.44Å; I180-S198 PolarHBondContact N-O 3.48Å; I180-I199 HydrophobicContact CB-CG1 4.34Å; I180-I199 CarbonylContact O-C 3.55Å; I180-I199 WeakPolarHBondContact O-CA 3.47Å; I180-H200 PolarHBondContact O-N 3.06Å
181I97.9Very high88.9Confident0 Ų074.9 Ų74.90%037%0.373CS..EExtended strand (participates in β ladder)trans-114.2114.1177.2-54.984.8000107.5F93 L97 H155 L156 V157 T158 H179 H200 M202 V205F93-I181 HydrophobicContact CE2-CG2 4.08Å; F93-I181 HydrophobicContact CZ-CG2 4.2Å; L97-I181 HydrophobicContact CD2-CD1 4.18Å; L97-I181 HydrophobicContact CD2-CG1 4.44Å; H155-I181 HydrophobicContact CB-CD1 4.45Å; L156-I181 PolarHBondContact O-N 3.21Å; V157-I181 CarbonylContact C-O 3.57Å; V157-I181 VanDerWaalsContact CA-O 3.29Å; V157-I181 WeakPolarHBondContact CA-O 3.48Å; V157-I181 HydrophobicContact CG2-CB 4.21Å; V157-I181 HydrophobicContact CG2-CD1 4.39Å; T158-I181 PolarHBondContact N-O 2.94Å; H179-I181 HydrophobicContact CB-CD1 4.26Å; I181-H200 CarbonylContact C-O 3.53Å; I181-H200 VanDerWaalsContact CA-O 3.28Å; I181-H200 WeakPolarHBondContact CA-O 3.45Å; I181-M202 HydrophobicContact CG2-CB 4.1Å; I181-V205 HydrophobicContact CG1-CG2 3.99Å; I181-V205 HydrophobicContact CG2-CG2 4.03Å
182Y96.4Very high88.1Confident20 Ų2077.9 Ų77.98%0.07841%0.406CS..EExtended strand (participates in β ladder)trans-95.1141.1173.868.8-87.8000111.4T158 D184 K186 V188 I199 H200 S201 M202T158-Y182 VanDerWaalsContact O-CA 3.23Å; T158-Y182 WeakPolarHBondContact O-CA 3.37Å; Y182-D184 HydrophobicContact CD2-CB 4.48Å; Y182-D184 WeakPolarHBondContact CD2-O 3.44Å; Y182-D184 VanDerWaalsContact CE2-O 3.24Å; Y182-D184 WeakPolarHBondContact CE2-O 3.36Å; Y182-K186 WeakPolarHBondContact CE2-O 3.37Å; Y182-V188 HydrophobicContact CD1-CB 4.44Å; Y182-V188 HydrophobicContact CD1-CG2 3.73Å; Y182-V188 HydrophobicContact CD2-CG2 3.89Å; Y182-V188 HydrophobicContact CE1-CB 4.13Å; Y182-V188 HydrophobicContact CE1-CG2 3.73Å; Y182-V188 HydrophobicContact CE2-CG2 3.9Å; Y182-V188 HydrophobicContact CG-CG2 3.8Å; Y182-I199 HydrophobicContact CD1-CG2 3.83Å; Y182-I199 HydrophobicContact CE1-CG2 4.06Å; Y182-H200 WeakPolarHBondContact CD1-O 3.47Å; Y182-H200 WeakPolarHBondContact CE1-O 3.41Å; Y182-H200 PolarHBondContact N-O 2.94Å; Y182-S201 CarbonylContact O-C 3.57Å; Y182-S201 WeakPolarHBondContact O-CA 3.37Å; Y182-M202 PolarHBondContact O-N 3Å
183V94.6Very high87.9Confident10 Ų1074.4 Ų74.46%0.06138%0.38CS..  trans-91.1-9.9-172.4-64.10000114.6R115 E117 V157 T158 M202R115-V183 VanDerWaalsContact CZ-CG2 3.47Å; R115-V183 VanDerWaalsContact NH1-CG2 3.32Å; E117-V183 HydrophobicContact CB-CB 3.84Å; E117-V183 HydrophobicContact CB-CG1 3.73Å; E117-V183 HydrophobicContact CG-CB 4.05Å; E117-V183 HydrophobicContact CG-CG1 4.41Å; V157-V183 HydrophobicContact CG1-CG1 3.67Å; T158-V183 PolarHBondContact O-N 3.16Å; T158-V183 VanDerWaalsContact O-N 3.1Å; V183-M202 HydrophobicContact CB-SD 4.49Å; V183-M202 HydrophobicContact CG1-SD 4Å
184D91.3Very high87.6Confident43 Ų4371.6 Ų71.623%0.2337%0.371CS..SBendtrans-82.4153.5-176.7-57.8-81.3000113.2R115 S159 M160 Y182 K186R115-D184 IonicContact CZ-OD1 3.61Å; R115-D184 IonicContact NH1-OD1 3.57Å; R115-D184 PolarHBondContact NH1-OD1 3.36Å; R115-D184 IonicContact NH1-OD2 2.81Å; R115-D184 IonicContact NH2-OD1 3.67Å; S159-D184 WeakPolarHBondContact CA-OD2 3.43Å; M160-D184 HydrophobicContact CB-CB 4.02Å; M160-D184 WeakPolarHBondContact CB-OD2 3.25Å; M160-D184 PolarHBondContact N-OD2 2.89Å; Y182-D184 HydrophobicContact CD2-CB 4.48Å; Y182-D184 WeakPolarHBondContact CD2-O 3.44Å; Y182-D184 VanDerWaalsContact CE2-O 3.24Å; Y182-D184 WeakPolarHBondContact CE2-O 3.36Å; D184-K186 VanDerWaalsContact C-N 3.31Å; D184-K186 PolarHBondContact O-N 3.43Å
185E80.5Confident86.9Confident200 Ų20080.7 Ų80.794%0.93541%0.413SS*.SBendtrans-73.2-23.1-179.5-63.3-177.9174.200113.4
186K81.2Confident86.7Confident151 Ų15179.5 Ų79.566%0.65742%0.416SS*.SBendtrans-76.4134.7-177.5-68.7179.6-176.3171.20110.4M160 Y182 D184 V188M160-K186 HydrophobicContact SD-CB 3.91Å; Y182-K186 WeakPolarHBondContact CE2-O 3.37Å; D184-K186 VanDerWaalsContact C-N 3.31Å; D184-K186 PolarHBondContact O-N 3.43Å; K186-V188 PolarHBondContact O-N 2.97Å
187K79.9Confident86.6Confident189 Ų18975.1 Ų75.182%0.82240%0.399SS*.PPolyproline II helixtrans-66.4132.2175.1-67.3-171.4178-175.20111
188V81.4Confident86.5Confident16 Ų1676.6 Ų76.610%0.09741%0.411CS..PPolyproline II helixtrans-82.8138.2173.3179.80000109.7M160 L163 E164 Y182 K186 T190 Y193M160-V188 HydrophobicContact CB-CG2 4.45Å; M160-V188 HydrophobicContact CE-CG2 4.08Å; M160-V188 HydrophobicContact CG-CG2 3.91Å; M160-V188 HydrophobicContact SD-CG2 4.07Å; L163-V188 HydrophobicContact CD2-CG1 4.18Å; L163-V188 HydrophobicContact CD2-CG2 4.37Å; E164-V188 WeakPolarHBondContact OE1-CG1 3.21Å; Y182-V188 HydrophobicContact CD1-CB 4.44Å; Y182-V188 HydrophobicContact CD1-CG2 3.73Å; Y182-V188 HydrophobicContact CD2-CG2 3.89Å; Y182-V188 HydrophobicContact CE1-CB 4.13Å; Y182-V188 HydrophobicContact CE1-CG2 3.73Å; Y182-V188 HydrophobicContact CE2-CG2 3.9Å; Y182-V188 HydrophobicContact CG-CG2 3.8Å; K186-V188 PolarHBondContact O-N 2.97Å; V188-T190 PolarHBondContact O-N 3.37Å; V188-Y193 HydrophobicContact CG1-CE2 4.45Å
189N78.6Confident86.4Confident90 Ų9072.2 Ų72.248%0.48139%0.393SS..  trans-76.4115.6168.2-176.70.4000108.7E191 Y193N189-E191 PolarHBondContact ND2-OE2 2.88Å; N189-E191 PolarHBondContact O-N 3.33Å; N189-E191 WeakPolarHBondContact OD1-CB 3.47Å; N189-E191 VanDerWaalsContact OD1-CG 3.26Å; N189-E191 WeakPolarHBondContact OD1-CG 3.4Å; N189-E191 PolarHBondContact OD1-N 3.46Å; N189-Y193 WeakPolarHBondContact O-CE2 3.4Å
190T78.7Confident86.4Confident88 Ų8873.1 Ų73.154%0.5440%0.397SS..  trans-81.50.9-177.954.40000113.6V188 G192 Y193 I199V188-T190 PolarHBondContact O-N 3.37Å; T190-G192 PolarHBondContact O-N 3.22Å; T190-Y193 WeakPolarHBondContact O-CD2 3.5Å; T190-I199 HydrophobicContact CG2-CB 4.32Å; T190-I199 HydrophobicContact CG2-CD1 4.4Å
191E76.1Confident86.3Confident142 Ų14274.4 Ų74.466%0.66441%0.406SS*.THydrogen-bonded Turntrans-63.9130.9174.1-70.8171.9168.800111.8N189N189-E191 PolarHBondContact ND2-OE2 2.88Å; N189-E191 PolarHBondContact O-N 3.33Å; N189-E191 WeakPolarHBondContact OD1-CB 3.47Å; N189-E191 VanDerWaalsContact OD1-CG 3.26Å; N189-E191 WeakPolarHBondContact OD1-CG 3.4Å; N189-E191 PolarHBondContact OD1-N 3.46Å
192G74.8Confident86.3Confident72 Ų7275 Ų7574%0.74241%0.409SS*.THydrogen-bonded Turntrans86.99.7176.400000115.6T190T190-G192 PolarHBondContact O-N 3.22Å
193Y84.4Confident86.3Confident28 Ų2878.2 Ų78.211%0.1143%0.425CS..PPolyproline II helixtrans-88.8151.8171-72.4-93.1000111.5L163 E164 K168 L171 V188 N189 T190 L197 I199L163-Y193 HydrophobicContact CD1-CE1 3.87Å; L163-Y193 HydrophobicContact CG-CE1 4.22Å; L163-Y193 WeakPolarHBondContact CG-OH 3.28Å; E164-Y193 VanDerWaalsContact CD-OH 3.24Å; E164-Y193 PolarHBondContact OE1-OH 3.15Å; K168-Y193 HydrophobicContact CD-CE2 4.41Å; K168-Y193 HydrophobicContact CG-CE1 4.25Å; L171-Y193 HydrophobicContact CD1-CD1 3.4Å; L171-Y193 HydrophobicContact CD1-CE1 3.63Å; V188-Y193 HydrophobicContact CG1-CE2 4.45Å; N189-Y193 WeakPolarHBondContact O-CE2 3.4Å; T190-Y193 WeakPolarHBondContact O-CD2 3.5Å; Y193-L197 HydrophobicContact CD1-CD2 4.39Å; Y193-I199 HydrophobicContact CD1-CD1 3.43Å; Y193-I199 VanDerWaalsContact CD1-CD1 3.43Å; Y193-I199 HydrophobicContact CD2-CD1 3.77Å; Y193-I199 HydrophobicContact CE1-CD1 3.77Å; Y193-I199 HydrophobicContact CE2-CD1 4.07Å; Y193-I199 HydrophobicContact CG-CD1 3.43Å; Y193-I199 VanDerWaalsContact CG-CD1 3.43Å
194P83.3Confident86.4Confident50 Ų5079.8 Ų79.833%0.32544%0.439SS..PPolyproline II helixtrans-58.5143.1-176.6-24.834.1000114.3L171 G196 L197L171-P194 HydrophobicContact CB-CG 4Å; P194-G196 PolarHBondContact O-N 2.9Å; P194-L197 WeakPolarHBondContact O-CB 3.39Å; P194-L197 PolarHBondContact O-N 2.89Å
195E78.4Confident86.7Confident206 Ų20677.9 Ų77.996%0.96343%0.428SS*.THydrogen-bonded Turntrans-61.3128.7173.2-69.3-177.3177.900110.6
196G82.8Confident87.5Confident73 Ų7371.1 Ų71.175%0.75339%0.394SS*.THydrogen-bonded Turntrans98.5-7.1-177.900000115.5P194P194-G196 PolarHBondContact O-N 2.9Å
197L91.8Very high88.3Confident30 Ų3068.2 Ų68.216%0.15739%0.386CS..  trans-92126.8174.1-171.270.9000110.8L171 L177 I180 Y193 P194L171-L197 HydrophobicContact CD1-CD2 3.87Å; L171-L197 HydrophobicContact CD2-CD2 4.28Å; L177-L197 HydrophobicContact CD2-CD1 4.33Å; L177-L197 HydrophobicContact CG-CD1 3.96Å; I180-L197 HydrophobicContact CD1-CD1 4.35Å; I180-L197 HydrophobicContact CD1-CD2 3.71Å; I180-L197 HydrophobicContact CD1-CG 4.37Å; I180-L197 HydrophobicContact CG1-CD1 4.14Å; I180-L197 HydrophobicContact CG1-CD2 4.3Å; I180-L197 HydrophobicContact CG1-CG 4.44Å; Y193-L197 HydrophobicContact CD1-CD2 4.39Å; P194-L197 WeakPolarHBondContact O-CB 3.39Å; P194-L197 PolarHBondContact O-N 2.89Å
198S94.5Very high89.1Confident50 Ų5061.8 Ų61.835%0.3536%0.36SS..EExtended strand (participates in β ladder)trans-101.4128.3175-58.20000111K178 H179 I180 H200K178-S198 PolarHBondContact O-N 3.41Å; H179-S198 WeakPolarHBondContact CA-O 3.31Å; I180-S198 PolarHBondContact N-O 3.48Å; S198-H200 WeakPolarHBondContact CB-NE2 3.24Å
199I94.6Very high89.9Confident29 Ų2961 Ų6115%0.14936%0.356CS..EExtended strand (participates in β ladder)trans-112.2123.1-179.5-55.4176.2000109L163 I180 Y182 T190 Y193L163-I199 HydrophobicContact CD2-CG2 4.38Å; I180-I199 HydrophobicContact CB-CG1 4.34Å; I180-I199 CarbonylContact O-C 3.55Å; I180-I199 WeakPolarHBondContact O-CA 3.47Å; Y182-I199 HydrophobicContact CD1-CG2 3.83Å; Y182-I199 HydrophobicContact CE1-CG2 4.06Å; T190-I199 HydrophobicContact CG2-CB 4.32Å; T190-I199 HydrophobicContact CG2-CD1 4.4Å; Y193-I199 HydrophobicContact CD1-CD1 3.43Å; Y193-I199 VanDerWaalsContact CD1-CD1 3.43Å; Y193-I199 HydrophobicContact CD2-CD1 3.77Å; Y193-I199 HydrophobicContact CE1-CD1 3.77Å; Y193-I199 HydrophobicContact CE2-CD1 4.07Å; Y193-I199 HydrophobicContact CG-CD1 3.43Å; Y193-I199 VanDerWaalsContact CG-CD1 3.43Å
200H95.4Very high90.8Very high49 Ų4960.6 Ų60.623%0.22736%0.356CS..EExtended strand (participates in β ladder)trans-124.3145.9-174.1-56.8-74.3000110.1H179 I180 I181 Y182 S198 V205H179-H200 AromaticContact ND1-CD2 3.93Å; H179-H200 AromaticContact ND1-NE2 3.46Å; H179-H200 PolarHBondContact ND1-NE2 3.26Å; I180-H200 PolarHBondContact O-N 3.06Å; I181-H200 CarbonylContact C-O 3.53Å; I181-H200 VanDerWaalsContact CA-O 3.28Å; I181-H200 WeakPolarHBondContact CA-O 3.45Å; Y182-H200 WeakPolarHBondContact CD1-O 3.47Å; Y182-H200 WeakPolarHBondContact CE1-O 3.41Å; Y182-H200 PolarHBondContact N-O 2.94Å; S198-H200 WeakPolarHBondContact CB-NE2 3.24Å; H200-V205 HydrophobicContact CB-CG2 3.72Å
201S96.4Very high91.6Very high27 Ų2759.6 Ų59.619%0.18935%0.347CS..EExtended strand (participates in β ladder)trans-75.9152161.765.90000109.4Y182 Q203 A204 V205Y182-S201 CarbonylContact O-C 3.57Å; Y182-S201 WeakPolarHBondContact O-CA 3.37Å; S201-Q203 PolarHBondContact O-N 2.99Å; S201-A204 PolarHBondContact O-N 3.07Å; S201-A204 VanDerWaalsContact O-N 3.09Å; S201-A204 WeakPolarHBondContact OG-CB 3.48Å; S201-A204 PolarHBondContact OG-N 3.27Å; S201-A204 VanDerWaalsContact OG-N 3.07Å; S201-V205 WeakPolarHBondContact O-CG2 3.03Å; S201-V205 PolarHBondContact O-N 3.06Å; S201-V205 VanDerWaalsContact O-N 3.17Å
202M97.1Very high92.5Very high12 Ų1256.6 Ų56.66%0.05934%0.34CS..Hα-helixtrans-55.7-37.1172.5-173.1177.2-169.900111.6F93 E117 I120 I181 Y182 V183 V205 R206F93-M202 HydrophobicContact CD1-CE 3.78Å; F93-M202 HydrophobicContact CD2-CE 4.06Å; F93-M202 HydrophobicContact CD2-CG 3.87Å; F93-M202 HydrophobicContact CE1-CE 3.88Å; F93-M202 HydrophobicContact CE2-CB 4.46Å; F93-M202 HydrophobicContact CE2-CE 4.18Å; F93-M202 HydrophobicContact CE2-CG 3.61Å; F93-M202 HydrophobicContact CG-CE 3.87Å; F93-M202 HydrophobicContact CZ-CE 4.08Å; F93-M202 HydrophobicContact CZ-CG 4.12Å; E117-M202 HydrophobicContact CB-CE 4.35Å; E117-M202 HydrophobicContact CB-SD 3.7Å; E117-M202 HydrophobicContact CG-SD 3.77Å; I120-M202 HydrophobicContact CB-CE 3.94Å; I120-M202 HydrophobicContact CG2-CE 3.38Å; I181-M202 HydrophobicContact CG2-CB 4.1Å; Y182-M202 PolarHBondContact O-N 3Å; V183-M202 HydrophobicContact CB-SD 4.49Å; V183-M202 HydrophobicContact CG1-SD 4Å; M202-V205 PolarHBondContact O-N 3.25Å; M202-R206 WeakPolarHBondContact O-CG 3.26Å; M202-R206 PolarHBondContact O-N 2.9Å
203Q96.2Very high93.4Very high88 Ų8859.4 Ų59.441%0.41133%0.334SS..Hα-helixtrans-62-44.3175.4-171.658.243.700112.4S201 V205 R206 D207S201-Q203 PolarHBondContact O-N 2.99Å; Q203-V205 VanDerWaalsContact C-N 3.28Å; Q203-V205 PolarHBondContact O-N 3.35Å; Q203-R206 WeakPolarHBondContact O-CB 3.24Å; Q203-R206 PolarHBondContact O-N 3.26Å; Q203-R206 VanDerWaalsContact O-N 3.13Å; Q203-D207 PolarHBondContact NE2-OD1 3.32Å; Q203-D207 PolarHBondContact O-N 3.42Å
204A96.4Very high93.9Very high43 Ų4359.1 Ų59.136%0.35533%0.334SS..Hα-helixtrans-63.8-35.5178.600000112.2S201 D207 L208S201-A204 PolarHBondContact O-N 3.07Å; S201-A204 VanDerWaalsContact O-N 3.09Å; S201-A204 WeakPolarHBondContact OG-CB 3.48Å; S201-A204 PolarHBondContact OG-N 3.27Å; S201-A204 VanDerWaalsContact OG-N 3.07Å; A204-D207 PolarHBondContact O-N 3.47Å; A204-L208 PolarHBondContact O-N 2.91Å; A204-L208 VanDerWaalsContact O-N 3.09Å
205V97.9Very high94.4Very high2 Ų259 Ų591%0.01234%0.338CS..Hα-helixtrans-67.5-40.2174.3-178.10000111F93 G96 L97 L100 I181 H200 S201 M202 Q203 L208 G209F93-V205 HydrophobicContact CD2-CB 4.06Å; F93-V205 HydrophobicContact CD2-CG1 3.8Å; F93-V205 HydrophobicContact CE2-CB 3.84Å; F93-V205 HydrophobicContact CE2-CG1 3.68Å; G96-V205 VanDerWaalsContact CA-O 3.24Å; G96-V205 WeakPolarHBondContact CA-O 3.29Å; L97-V205 HydrophobicContact CD2-CG1 4.28Å; L97-V205 HydrophobicContact CG-CG1 4.32Å; L100-V205 HydrophobicContact CD1-CG1 4.24Å; L100-V205 HydrophobicContact CD1-CG2 3.87Å; I181-V205 HydrophobicContact CG1-CG2 3.99Å; I181-V205 HydrophobicContact CG2-CG2 4.03Å; H200-V205 HydrophobicContact CB-CG2 3.72Å; S201-V205 WeakPolarHBondContact O-CG2 3.03Å; S201-V205 PolarHBondContact O-N 3.06Å; S201-V205 VanDerWaalsContact O-N 3.17Å; M202-V205 PolarHBondContact O-N 3.25Å; Q203-V205 VanDerWaalsContact C-N 3.28Å; Q203-V205 PolarHBondContact O-N 3.35Å; V205-L208 WeakPolarHBondContact O-CB 3.29Å; V205-L208 PolarHBondContact O-N 2.97Å; V205-G209 PolarHBondContact O-N 2.89Å; V205-G209 VanDerWaalsContact O-N 3.13Å
206R97.7Very high95Very high59 Ų5957.2 Ų57.222%0.22333%0.329CS..Hα-helixtrans-62.1-46.7173.5-70.3172.864.5-158.77.9111.9T89 D92 F93 M202 Q203 L208 G209 V210T89-R206 PolarHBondContact OG1-NH2 3.35Å; T89-R206 VanDerWaalsContact OG1-NH2 3.17Å; D92-R206 HydrophobicContact CB-CB 4.31Å; F93-R206 HydrophobicContact CB-CG 3.91Å; F93-R206 HydrophobicContact CD2-CG 3.99Å; F93-R206 HydrophobicContact CG-CG 4.39Å; M202-R206 WeakPolarHBondContact O-CG 3.26Å; M202-R206 PolarHBondContact O-N 2.9Å; Q203-R206 WeakPolarHBondContact O-CB 3.24Å; Q203-R206 PolarHBondContact O-N 3.26Å; Q203-R206 VanDerWaalsContact O-N 3.13Å; R206-L208 PolarHBondContact O-N 3.27Å; R206-G209 WeakPolarHBondContact O-CA 3.45Å; R206-G209 PolarHBondContact O-N 2.94Å; R206-V210 WeakPolarHBondContact O-CG2 3.33Å; R206-V210 PolarHBondContact O-N 2.82Å
207D97.4Very high95.4Very high90 Ų9059 Ų5948%0.48131%0.313SS..Hα-helixtrans-58-37.4178.7-62.2-21.1000111.1Q203 A204 V210Q203-D207 PolarHBondContact NE2-OD1 3.32Å; Q203-D207 PolarHBondContact O-N 3.42Å; A204-D207 PolarHBondContact O-N 3.47Å; D207-V210 PolarHBondContact O-N 3.13Å
208L97.4Very high95.3Very high53 Ų5366.3 Ų66.328%0.27735%0.346SS..Hα-helixtrans-63.7-39.9173.2-178.566.6000112.3A99 L100 A204 V205 R206 V210 L211 N214A99-L208 HydrophobicContact CB-CD1 4.38Å; A99-L208 HydrophobicContact CB-CD2 3.57Å; A99-L208 HydrophobicContact CB-CG 3.71Å; L100-L208 HydrophobicContact CD2-CD2 3.8Å; L100-L208 HydrophobicContact CG-CD2 4.03Å; A204-L208 PolarHBondContact O-N 2.91Å; A204-L208 VanDerWaalsContact O-N 3.09Å; V205-L208 WeakPolarHBondContact O-CB 3.29Å; V205-L208 PolarHBondContact O-N 2.97Å; R206-L208 PolarHBondContact O-N 3.27Å; L208-V210 VanDerWaalsContact C-N 3.35Å; L208-L211 HydrophobicContact CD1-CD1 3.95Å; L208-L211 WeakPolarHBondContact O-CB 3.25Å; L208-L211 WeakPolarHBondContact O-CG 2.93Å; L208-L211 PolarHBondContact O-N 3.34Å; L208-N214 PolarHBondContact O-ND2 3.37Å
209G97.3Very high95.3Very high0 Ų066.7 Ų66.70%034%0.344CS..Hα-helixtrans-75.2-19.4-179.700000115.3D92 N95 V205 R206 L211D92-G209 WeakPolarHBondContact O-CA 3.42Å; N95-G209 WeakPolarHBondContact CB-O 3.26Å; V205-G209 PolarHBondContact O-N 2.89Å; V205-G209 VanDerWaalsContact O-N 3.13Å; R206-G209 WeakPolarHBondContact O-CA 3.45Å; R206-G209 PolarHBondContact O-N 2.94Å; G209-L211 VanDerWaalsContact C-N 3.31Å
210V97.3Very high95.3Very high81 Ų8169 Ų6949%0.49136%0.359SS..Hα-helixtrans-75.4-21.1173.7174.50000112D92 R206 D207 L208D92-V210 HydrophobicContact CB-CG2 3.98Å; R206-V210 WeakPolarHBondContact O-CG2 3.33Å; R206-V210 PolarHBondContact O-N 2.82Å; D207-V210 PolarHBondContact O-N 3.13Å; L208-V210 VanDerWaalsContact C-N 3.35Å
211L97.1Very high95.2Very high68 Ų6870.7 Ų70.736%0.35637%0.373SS..SBendtrans-58.4134.9178.7-61.4-179.9000110.6L208 G209 E213 N214 A215L208-L211 HydrophobicContact CD1-CD1 3.95Å; L208-L211 WeakPolarHBondContact O-CB 3.25Å; L208-L211 WeakPolarHBondContact O-CG 2.93Å; L208-L211 PolarHBondContact O-N 3.34Å; G209-L211 VanDerWaalsContact C-N 3.31Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 HydrophobicContact CB-CG 4.45Å; L211-E213 PolarHBondContact O-N 2.76Å; L211-E213 VanDerWaalsContact O-N 3.15Å; L211-N214 PolarHBondContact O-N 2.99Å; L211-A215 PolarHBondContact O-N 3.17Å
212P94.6Very high95.3Very high79 Ų7969.8 Ų69.851%0.51337%0.367SS..Hα-helixtrans-52.2-41.3-173.9-28.735.4000114N214 A215 E216P212-N214 PolarHBondContact O-N 3.44Å; P212-A215 PolarHBondContact O-N 3.33Å; P212-E216 WeakPolarHBondContact O-CB 3.36Å; P212-E216 WeakPolarHBondContact O-CG 3.48Å; P212-E216 PolarHBondContact O-N 3.26Å
213E93.9Very high95.3Very high130 Ų13074.9 Ų74.961%0.60739%0.39SS*.Hα-helixtrans-62.5-2417963.2-91.5-151.500114.1L211L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 HydrophobicContact CB-CG 4.45Å; L211-E213 PolarHBondContact O-N 2.76Å; L211-E213 VanDerWaalsContact O-N 3.15Å
214N95.4Very high95.3Very high23 Ų2372.5 Ų72.512%0.12338%0.384CS..Hα-helixtrans-98.5-35.6178-63.9-42.5000111.7A99 L208 L211 P212 R217A99-N214 HydrophobicContact CB-CB 4.34Å; A99-N214 WeakPolarHBondContact CB-OD1 3.25Å; L208-N214 PolarHBondContact O-ND2 3.37Å; L211-N214 PolarHBondContact O-N 2.99Å; P212-N214 PolarHBondContact O-N 3.44Å; N214-R217 VanDerWaalsContact O-CB 3.3Å; N214-R217 WeakPolarHBondContact O-CB 3.44Å; N214-R217 PolarHBondContact O-N 2.67Å
215A92.9Very high95.4Very high48 Ų4874.2 Ų74.240%0.39739%0.393SS..Hα-helixtrans-68.5-34179.400000113L211 P212 R217L211-A215 PolarHBondContact O-N 3.17Å; P212-A215 PolarHBondContact O-N 3.33Å; A215-R217 VanDerWaalsContact C-N 3.3Å
216E91.3Very high95.4Very high168 Ų16874.9 Ų74.979%0.78540%0.396SS*.THydrogen-bonded Turntrans-86.2-0.5178.5-64179.1-179.800113.2P212P212-E216 WeakPolarHBondContact O-CB 3.36Å; P212-E216 WeakPolarHBondContact O-CG 3.48Å; P212-E216 PolarHBondContact O-N 3.26Å
217R90.4Very high95.4Very high110 Ų11074.1 Ų74.142%0.41540%0.396SS..SBendtrans-68.2134.8-178.8-172.2174.4178.3-173.9-4.7110.9A98 N214 A215 I219A98-R217 PolarHBondContact O-NH1 2.9Å; N214-R217 VanDerWaalsContact O-CB 3.3Å; N214-R217 WeakPolarHBondContact O-CB 3.44Å; N214-R217 PolarHBondContact O-N 2.67Å; A215-R217 VanDerWaalsContact C-N 3.3Å; R217-I219 PolarHBondContact O-N 3.18Å
218E91.1Very high95.5Very high183 Ų18369.9 Ų69.986%0.85537%0.374SS*.PPolyproline II helixtrans-62.9128.6176.8-169.2177.8-176.300111.4
219I93.3Very high95.5Very high59 Ų5967.3 Ų67.330%0.30336%0.361SS..PPolyproline II helixtrans-96.9129-179.6-57.2173.5000109.1R127 H128 R217 T221R127-I219 WeakPolarHBondContact O-CG2 3.41Å; H128-I219 HydrophobicContact CB-CG2 4.42Å; H128-I219 VanDerWaalsContact CE1-CD1 3.48Å; H128-I219 WeakPolarHBondContact CE1-CD1 3.36Å; R217-I219 PolarHBondContact O-N 3.18Å; I219-T221 PolarHBondContact O-N 2.8Å
220V94.5Very high95.5Very high76 Ų7667.3 Ų67.346%0.46136%0.361SS..  trans-80.4100.5170.2-178.10000108.7P104 H128 N129P104-V220 HydrophobicContact CB-CB 3.89Å; P104-V220 HydrophobicContact CB-CG1 4.1Å; P104-V220 HydrophobicContact CB-CG2 4.33Å; P104-V220 HydrophobicContact CG-CB 3.62Å; P104-V220 HydrophobicContact CG-CG1 4.35Å; P104-V220 HydrophobicContact CG-CG2 3.71Å; H128-V220 CarbonylContact C-O 3.59Å; N129-V220 VanDerWaalsContact CB-O 3.27Å; N129-V220 WeakPolarHBondContact CB-O 3.36Å
221T94.2Very high95.4Very high85 Ų8563.5 Ų63.552%0.52134%0.337SS..PPolyproline II helixtrans-69.3148.2178.756.70000111.8I219I219-T221 PolarHBondContact O-N 2.8Å
222P97Very high95.1Very high8 Ų860.4 Ų60.45%0.05232%0.321CS..PPolyproline II helixtrans-71.7156.3179.332.6-39.3000112.9T33 D35 F126 N129 H247T33-P222 HydrophobicContact CG2-CB 4.49Å; T33-P222 HydrophobicContact CG2-CG 4.2Å; D35-P222 HydrophobicContact CB-CG 4.49Å; F126-P222 WeakPolarHBondContact O-CD 3.45Å; F126-P222 VanDerWaalsContact O-CG 3.26Å; F126-P222 WeakPolarHBondContact O-CG 3.28Å; N129-P222 HydrophobicContact CB-CB 4.12Å; P222-H247 WeakPolarHBondContact CB-NE2 3.36Å
223Q97.6Very high94.2Very high120 Ų12057.7 Ų57.756%0.56130%0.303SS*.PPolyproline II helixtrans-100.8160.2162.4-63.2-175.3-35.500110.8S225 D226 H247Q223-S225 PolarHBondContact O-N 2.66Å; Q223-D226 PolarHBondContact N-OD2 2.96Å; Q223-D226 WeakPolarHBondContact O-CB 3.46Å; Q223-D226 PolarHBondContact O-N 2.76Å; Q223-H247 PolarHBondContact O-CD2 3.31Å
224S97.4Very high92.7Very high38 Ų3854.5 Ų54.527%0.26630%0.295SS..THydrogen-bonded Turntrans-60.1-29-179.6580000113.7D32 H247 S248D32-S224 WeakPolarHBondContact O-CA 3.49Å; D32-S224 WeakPolarHBondContact O-CB 3.04Å; S224-H247 PolarHBondContact O-N 3.33Å; S224-S248 WeakPolarHBondContact O-CB 3.29Å; S224-S248 PolarHBondContact O-N 2.99Å; S224-S248 PolarHBondContact O-OG 2.96Å
225S97.3Very high90.5Very high79 Ų7954.8 Ų54.855%0.55230%0.303SS*.THydrogen-bonded Turntrans-86.9-5.9175.659.30000114.8Q223 V246Q223-S225 PolarHBondContact O-N 2.66Å; S225-V246 VanDerWaalsContact O-CG1 3.32Å; S225-V246 WeakPolarHBondContact O-CG1 3.49Å
226D98.2Very high88Confident16 Ų1656.1 Ų56.19%0.08631%0.31CS..SBendtrans-71148.1177.8-76.9-34.8000110.8K105 N129 Q223 A228 V246 H247K105-D226 IonicContact NZ-OD1 2.74Å; K105-D226 PolarHBondContact NZ-OD1 3.16Å; K105-D226 IonicContact NZ-OD2 2.7Å; N129-D226 PolarHBondContact ND2-OD2 2.82Å; Q223-D226 PolarHBondContact N-OD2 2.96Å; Q223-D226 WeakPolarHBondContact O-CB 3.46Å; Q223-D226 PolarHBondContact O-N 2.76Å; D226-A228 PolarHBondContact O-N 3.45Å; D226-V246 VanDerWaalsContact O-CA 3.27Å; D226-V246 WeakPolarHBondContact O-CA 3.09Å; D226-V246 VanDerWaalsContact O-CB 3.26Å; D226-V246 WeakPolarHBondContact O-CB 3.4Å; D226-H247 PolarHBondContact O-CD2 2.98Å; D226-H247 PolarHBondContact O-N 2.79Å
227L98.1Very high85.8Confident42 Ų4252.1 Ų52.122%0.2230%0.297CS..EExtended strand (participates in β ladder)trans-66.7114.5177.4-17866.2000109.8P131 V230 M244P131-L227 HydrophobicContact CB-CB 4.35Å; P131-L227 HydrophobicContact CB-CD2 3.96Å; P131-L227 HydrophobicContact CB-CG 4.02Å; P131-L227 WeakPolarHBondContact CB-O 3.23Å; P131-L227 HydrophobicContact CG-CB 4.24Å; P131-L227 HydrophobicContact CG-CD2 4.36Å; P131-L227 HydrophobicContact CG-CG 4.43Å; P131-L227 WeakPolarHBondContact CG-O 3.46Å; L227-V230 HydrophobicContact CD1-CG2 4.32Å; L227-V230 HydrophobicContact CD2-CG2 3.75Å; L227-V230 HydrophobicContact CG-CG2 4.31Å; L227-M244 HydrophobicContact CD1-CB 3.82Å; L227-M244 HydrophobicContact CD1-CG 4.33Å
228A98.3Very high84Confident1 Ų149.4 Ų49.41%0.00830%0.303CS..EExtended strand (participates in β ladder)trans-89.1-47.6179.400000111.2L34 F126 L132 D226 I245L34-A228 HydrophobicContact CD1-CB 4.11Å; F126-A228 HydrophobicContact CD1-CB 4.46Å; F126-A228 HydrophobicContact CE1-CB 4.28Å; L132-A228 PolarHBondContact N-O 3.28Å; D226-A228 PolarHBondContact O-N 3.45Å; A228-I245 PolarHBondContact N-O 3.12Å
229V98.3Very high82.9Confident0 Ų049 Ų490%029%0.294CS..EExtended strand (participates in β ladder)trans-139.9137.5-171.2-176.10000111.2F126 L132 T134 M231 I245 L250 M282F126-V229 HydrophobicContact CE1-CG2 3.77Å; F126-V229 HydrophobicContact CZ-CG2 3.98Å; L132-V229 CarbonylContact O-C 3.58Å; L132-V229 WeakPolarHBondContact O-CA 3.34Å; L132-V229 WeakPolarHBondContact O-CG1 3.35Å; T134-V229 HydrophobicContact CG2-CG1 4.08Å; V229-M231 HydrophobicContact CG1-CB 4.08Å; V229-M231 HydrophobicContact CG1-CE 4.3Å; V229-I245 HydrophobicContact CB-CB 4.33Å; V229-I245 PolarHBondContact N-O 3.46Å; V229-I245 PolarHBondContact O-N 2.8Å; V229-L250 HydrophobicContact CG2-CD1 4.08Å; V229-M282 HydrophobicContact CG1-CE 4.5Å; V229-M282 HydrophobicContact CG1-SD 4.42Å; V229-M282 HydrophobicContact CG2-CE 4.16Å; V229-M282 HydrophobicContact CG2-SD 4.21Å
230V97.7Very high82.1Confident0 Ų046.7 Ų46.70%028%0.283CS..EExtended strand (participates in β ladder)trans-108.9100.4161.7-176.70000108.1L132 V133 T134 L227 Y232 V243 F486L132-V230 PolarHBondContact O-N 2.83Å; V133-V230 WeakPolarHBondContact CA-O 3.47Å; V133-V230 HydrophobicContact CG1-CB 4.44Å; V133-V230 HydrophobicContact CG2-CB 4.15Å; T134-V230 PolarHBondContact N-O 2.97Å; L227-V230 HydrophobicContact CD1-CG2 4.32Å; L227-V230 HydrophobicContact CD2-CG2 3.75Å; L227-V230 HydrophobicContact CG-CG2 4.31Å; V230-Y232 HydrophobicContact CG1-CD2 4.45Å; V230-Y232 HydrophobicContact CG1-CE2 4.09Å; V230-V243 CarbonylContact C-O 3.3Å; V230-V243 VanDerWaalsContact CA-O 3.3Å; V230-V243 WeakPolarHBondContact CA-O 3.41Å; V230-F486 HydrophobicContact CG1-CB 3.93Å; V230-F486 HydrophobicContact CG1-CD2 4.11Å; V230-F486 HydrophobicContact CG1-CG 4.16Å; V230-F486 HydrophobicContact CG2-CD2 3.79Å; V230-F486 HydrophobicContact CG2-CE2 4.21Å
231M95.6Very high81.7Confident0 Ų045.5 Ų45.50%027%0.272CS..EExtended strand (participates in β ladder)trans-97.2112.3-173.9-175.3168.1-70.500111.1V229 T233 V243 I245 V279 M282 T424V229-M231 HydrophobicContact CG1-CB 4.08Å; V229-M231 HydrophobicContact CG1-CE 4.3Å; M231-T233 PolarHBondContact O-N 3.06Å; M231-V243 PolarHBondContact N-O 2.91Å; M231-V243 PolarHBondContact O-N 3.06Å; M231-I245 HydrophobicContact CB-CD1 4.14Å; M231-V279 HydrophobicContact CE-CB 4.3Å; M231-V279 HydrophobicContact SD-CB 3.65Å; M231-V279 HydrophobicContact SD-CG2 4.42Å; M231-V279 PolarHBondContact SD-N 2.93Å; M231-M282 HydrophobicContact CE-CB 4.45Å; M231-M282 HydrophobicContact CE-CE 3.62Å; M231-M282 HydrophobicContact CE-SD 3.59Å; M231-M282 VanDerWaalsContact CE-SD 3.59Å; M231-T424 HydrophobicContact CB-CG2 3.91Å; M231-T424 HydrophobicContact CG-CG2 3.86Å; M231-T424 HydrophobicContact SD-CG2 3.71Å
232Y89.8Confident81.6Confident3 Ų341.5 Ų41.51%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-75.4126.4178.2-86-96.2000112.4V133 T134 F135 E150 T151 V230 P240 K241V133-Y232 HydrophobicContact CG1-CD2 3.79Å; V133-Y232 HydrophobicContact CG1-CE2 3.64Å; T134-Y232 PolarHBondContact O-N 3.21Å; F135-Y232 AromaticContact CD1-CD2 3.92Å; F135-Y232 HydrophobicContact CD1-CD2 3.92Å; F135-Y232 AromaticContact CD1-CG 3.92Å; F135-Y232 HydrophobicContact CD1-CG 3.92Å; F135-Y232 HydrophobicContact CE1-CD1 4.04Å; F135-Y232 AromaticContact CE1-CD2 3.24Å; F135-Y232 HydrophobicContact CE1-CD2 3.24Å; F135-Y232 HydrophobicContact CE1-CE1 4.32Å; F135-Y232 AromaticContact CE1-CE2 3.57Å; F135-Y232 HydrophobicContact CE1-CE2 3.57Å; F135-Y232 AromaticContact CE1-CG 3.49Å; F135-Y232 HydrophobicContact CE1-CG 3.49Å; F135-Y232 VanDerWaalsContact CE1-CG 3.49Å; F135-Y232 AromaticContact CZ-CD2 3.74Å; F135-Y232 HydrophobicContact CZ-CD2 3.74Å; F135-Y232 AromaticContact CZ-CE2 3.71Å; F135-Y232 HydrophobicContact CZ-CE2 3.71Å; F135-Y232 HydrophobicContact CZ-CG 4.41Å; E150-Y232 VanDerWaalsContact OE2-CE1 3.29Å; E150-Y232 WeakPolarHBondContact OE2-CE1 3.28Å; E150-Y232 VanDerWaalsContact OE2-CZ 3.3Å; E150-Y232 PolarHBondContact OE2-OH 2.97Å; T151-Y232 HydrophobicContact CG2-CE2 3.62Å; T151-Y232 VanDerWaalsContact CG2-OH 3.27Å; T151-Y232 WeakPolarHBondContact CG2-OH 3.11Å; V230-Y232 HydrophobicContact CG1-CD2 4.45Å; V230-Y232 HydrophobicContact CG1-CE2 4.09Å; Y232-P240 HydrophobicContact CD1-CB 3.88Å; Y232-P240 HydrophobicContact CD1-CG 4.15Å; Y232-K241 WeakPolarHBondContact CA-O 3.37Å
233T75.2Confident81.5Confident22 Ų2241.1 Ų41.114%0.13525%0.245CC..EExtended strand (participates in β ladder)trans-109.7139.4176.2700000110.8M231 G235 P240 K241 V243 T424M231-T233 PolarHBondContact O-N 3.06Å; T233-G235 VanDerWaalsContact C-N 3.3Å; T233-G235 PolarHBondContact O-N 3.26Å; T233-P240 WeakPolarHBondContact O-CA 3.46Å; T233-K241 PolarHBondContact N-O 2.9Å; T233-K241 PolarHBondContact O-N 3.44Å; T233-K241 VanDerWaalsContact O-N 3.13Å; T233-V243 HydrophobicContact CG2-CG2 3.99Å; T233-T424 HydrophobicContact CG2-CG2 3.74Å; T233-T424 WeakPolarHBondContact CG2-OG1 3.38Å
234S62.4Low81.4Confident64 Ų6437.3 Ų37.345%0.44823%0.227SC..  trans-76.982.7170.563.50000109.1
235G49.3Very low81.5Confident28 Ų2835.5 Ų35.529%0.28922%0.215SC..  trans-65.2158.4177.500000113T233 T237 G238T233-G235 VanDerWaalsContact C-N 3.3Å; T233-G235 PolarHBondContact O-N 3.26Å; G235-T237 PolarHBondContact O-N 2.95Å; G235-G238 PolarHBondContact O-N 3.07Å
236S41.8Very low81.5Confident77 Ų7732.3 Ų32.354%0.53819%0.192SC..THydrogen-bonded Turntrans-60.7-14.2177.870.90000114K526S236-K526 PolarHBondContact OG-NZ 3.25Å
237T45.1Very low81.5Confident83 Ų8331.6 Ų31.651%0.50919%0.188SC..THydrogen-bonded Turntrans-85.9-3.7-174.949.70000113.7G235 R239G235-T237 PolarHBondContact O-N 2.95Å; T237-R239 PolarHBondContact O-N 3.16Å
238G52.4Low81.5Confident54 Ų5431.8 Ų31.856%0.55719%0.193SC*.SBendtrans91.9-29.5172.100000115.6G235G235-G238 PolarHBondContact O-N 3.07Å
239R66.6Low81.5Confident174 Ų17432.1 Ų32.166%0.65719%0.194SC*.SBendtrans-95.2135.5168.2-68.5-172.4-176.6173.81.1110.7T237T237-R239 PolarHBondContact O-N 3.16Å
240P76.9Confident81.5Confident11 Ų1132.1 Ų32.17%0.07119%0.194CC..  trans-72.1143.3-18035.5-37.9000109.9A143 Y146 Y232 T233A143-P240 HydrophobicContact CB-CG 4.32Å; Y146-P240 HydrophobicContact CD1-CG 4.32Å; Y232-P240 HydrophobicContact CD1-CB 3.88Å; Y232-P240 HydrophobicContact CD1-CG 4.15Å; T233-P240 WeakPolarHBondContact O-CA 3.46Å
241K86.3Confident81.5Confident51 Ų5132.3 Ų32.322%0.22220%0.195CC..EExtended strand (participates in β ladder)trans-114.4132.1179.3-62.3-175.1-179.2-1720109.7Y232 T233 Y485Y232-K241 WeakPolarHBondContact CA-O 3.37Å; T233-K241 PolarHBondContact N-O 2.9Å; T233-K241 PolarHBondContact O-N 3.44Å; T233-K241 VanDerWaalsContact O-N 3.13Å; K241-Y485 HydrophobicContact CB-CD1 3.92Å; K241-Y485 HydrophobicContact CB-CE1 4.33Å; K241-Y485 HydrophobicContact CB-CG 4.4Å; K241-Y485 HydrophobicContact CD-CD1 4.1Å; K241-Y485 HydrophobicContact CD-CD2 4.18Å; K241-Y485 HydrophobicContact CD-CE1 4.08Å; K241-Y485 HydrophobicContact CD-CE2 4.19Å; K241-Y485 HydrophobicContact CD-CG 4.17Å
242G91.9Very high81.6Confident1 Ų132.3 Ų32.31%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-82.9112.8174.900000111.5Y485 F486G242-Y485 CarbonylContact O-C 3.56Å; G242-Y485 VanDerWaalsContact O-CA 3.26Å; G242-Y485 WeakPolarHBondContact O-CA 3.48Å; G242-F486 PolarHBondContact O-N 3.4Å
243V95Very high82Confident0 Ų032.2 Ų32.20%020%0.195CC..EExtended strand (participates in β ladder)trans-81.3125.9175.1-179.20000109.3V230 M231 T233 I245 T424 E425 T482 Y485V230-V243 CarbonylContact C-O 3.3Å; V230-V243 VanDerWaalsContact CA-O 3.3Å; V230-V243 WeakPolarHBondContact CA-O 3.41Å; M231-V243 PolarHBondContact N-O 2.91Å; M231-V243 PolarHBondContact O-N 3.06Å; T233-V243 HydrophobicContact CG2-CG2 3.99Å; V243-I245 HydrophobicContact CG1-CG1 4.08Å; V243-T424 HydrophobicContact CB-CG2 3.8Å; V243-T424 HydrophobicContact CG1-CG2 4.11Å; V243-T424 HydrophobicContact CG2-CG2 3.78Å; V243-E425 HydrophobicContact CG1-CG 4.39Å; V243-E425 HydrophobicContact CG2-CG 4.16Å; V243-T482 HydrophobicContact CG1-CG2 3.79Å; V243-T482 WeakPolarHBondContact CG1-OG1 3.41Å; V243-Y485 HydrophobicContact CG2-CD1 3.96Å; V243-Y485 HydrophobicContact CG2-CE1 3.88Å
244M96.9Very high83.1Confident39 Ų3931.4 Ų31.419%0.19219%0.19CC..EExtended strand (participates in β ladder)trans-86.9116.1-179.6-65.7-170.8-62.600111.3L227 T482 M483 G484 F486L227-M244 HydrophobicContact CD1-CB 3.82Å; L227-M244 HydrophobicContact CD1-CG 4.33Å; M244-T482 WeakPolarHBondContact O-CB 3.45Å; M244-M483 HydrophobicContact CB-CB 4.01Å; M244-M483 HydrophobicContact CE-CB 4.44Å; M244-M483 PolarHBondContact O-N 3.5Å; M244-G484 PolarHBondContact N-O 3.33Å; M244-F486 HydrophobicContact CG-CB 3.99Å; M244-F486 HydrophobicContact CG-CD2 4.07Å; M244-F486 HydrophobicContact SD-CB 4.34Å; M244-F486 HydrophobicContact SD-CD2 3.99Å
245I98.2Very high84.7Confident0 Ų028.5 Ų28.50%017%0.17CC..EExtended strand (participates in β ladder)trans-121118.6-174.4-46.2-176.8000109.2A228 V229 M231 V243 N249 L250 T424 C427 T482A228-I245 PolarHBondContact N-O 3.12Å; V229-I245 HydrophobicContact CB-CB 4.33Å; V229-I245 PolarHBondContact N-O 3.46Å; V229-I245 PolarHBondContact O-N 2.8Å; M231-I245 HydrophobicContact CB-CD1 4.14Å; V243-I245 HydrophobicContact CG1-CG1 4.08Å; I245-N249 HydrophobicContact CG2-CB 3.99Å; I245-L250 HydrophobicContact CG2-CD1 3.93Å; I245-L250 HydrophobicContact CG2-CD2 4.2Å; I245-L250 HydrophobicContact CG2-CG 3.58Å; I245-T424 HydrophobicContact CD1-CG2 4.27Å; I245-C427 VanDerWaalsContact CG2-SG 3.54Å; I245-T482 HydrophobicContact CB-CG2 4.42Å; I245-T482 HydrophobicContact CD1-CG2 4.37Å; I245-T482 HydrophobicContact CG1-CG2 3.8Å; I245-T482 HydrophobicContact CG2-CG2 4.31Å
246V98.3Very high86.9Confident13 Ų1327.2 Ų27.28%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-86.2162.8173.9-60.80000111S225 D226 S248 N249 M483S225-V246 VanDerWaalsContact O-CG1 3.32Å; S225-V246 WeakPolarHBondContact O-CG1 3.49Å; D226-V246 VanDerWaalsContact O-CA 3.27Å; D226-V246 WeakPolarHBondContact O-CA 3.09Å; D226-V246 VanDerWaalsContact O-CB 3.26Å; D226-V246 WeakPolarHBondContact O-CB 3.4Å; V246-S248 VanDerWaalsContact C-N 3.33Å; V246-S248 WeakPolarHBondContact CG2-OG 3.47Å; V246-S248 PolarHBondContact O-N 2.85Å; V246-N249 HydrophobicContact CG2-CB 4.33Å; V246-N249 VanDerWaalsContact CG2-CG 3.45Å; V246-N249 WeakPolarHBondContact CG2-OD1 3.31Å; V246-N249 PolarHBondContact N-OD1 2.99Å; V246-N249 PolarHBondContact O-N 3.41Å; V246-N249 VanDerWaalsContact O-N 3.13Å; V246-M483 HydrophobicContact CG1-CG 3.67Å; V246-M483 HydrophobicContact CG2-CG 4.32Å
247H98.4Very high89.5Confident1 Ų124.2 Ų24.21%0.00513%0.134CC..Hα-helixtrans-52.8-48.6-178.5-76.4-78.2000112.7L34 F126 P222 Q223 S224 D226 N249 L250 I251L34-H247 WeakPolarHBondContact CG-ND1 2.97Å; L34-H247 PolarHBondContact N-ND1 3.27Å; F126-H247 AromaticContact CD1-CE1 3.99Å; P222-H247 WeakPolarHBondContact CB-NE2 3.36Å; Q223-H247 PolarHBondContact O-CD2 3.31Å; S224-H247 PolarHBondContact O-N 3.33Å; D226-H247 PolarHBondContact O-CD2 2.98Å; D226-H247 PolarHBondContact O-N 2.79Å; H247-N249 VanDerWaalsContact C-N 3.27Å; H247-N249 PolarHBondContact O-N 2.99Å; H247-L250 PolarHBondContact O-N 2.87Å; H247-I251 WeakPolarHBondContact O-CG1 3.3Å; H247-I251 PolarHBondContact O-N 3.33Å; H247-I251 VanDerWaalsContact O-N 3.15Å
248S97.9Very high91.9Very high45 Ų4520.6 Ų20.632%0.31511%0.112SC..Hα-helixtrans-61.9-30.9-179.158.10000113.6S224 V246 A252S224-S248 WeakPolarHBondContact O-CB 3.29Å; S224-S248 PolarHBondContact O-N 2.99Å; S224-S248 PolarHBondContact O-OG 2.96Å; V246-S248 VanDerWaalsContact C-N 3.33Å; V246-S248 WeakPolarHBondContact CG2-OG 3.47Å; V246-S248 PolarHBondContact O-N 2.85Å; S248-A252 WeakPolarHBondContact O-CB 3.33Å; S248-A252 PolarHBondContact O-N 2.97Å
249N97.9Very high93.9Very high8 Ų821.9 Ų21.94%0.04310%0.103CC..Hα-helixtrans-65.3-45.3177.8-59.4147.6000111.4I245 V246 H247 G253 C427 P479 V481I245-N249 HydrophobicContact CG2-CB 3.99Å; V246-N249 HydrophobicContact CG2-CB 4.33Å; V246-N249 VanDerWaalsContact CG2-CG 3.45Å; V246-N249 WeakPolarHBondContact CG2-OD1 3.31Å; V246-N249 PolarHBondContact N-OD1 2.99Å; V246-N249 PolarHBondContact O-N 3.41Å; V246-N249 VanDerWaalsContact O-N 3.13Å; H247-N249 VanDerWaalsContact C-N 3.27Å; H247-N249 PolarHBondContact O-N 2.99Å; N249-G253 PolarHBondContact O-N 3.41Å; N249-C427 VanDerWaalsContact C-SG 3.57Å; N249-C427 WeakPolarHBondContact CB-SG 3.45Å; N249-P479 WeakPolarHBondContact CA-O 3.39Å; N249-P479 PolarHBondContact ND2-O 2.98Å; N249-V481 PolarHBondContact ND2-O 3.44Å; N249-V481 VanDerWaalsContact ND2-O 3.13Å
250L97.5Very high95.2Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-66-44179.1-79.8164.8000111.2L34 V229 I245 H247 G253 M254 M282 T283 C427L34-L250 HydrophobicContact CD1-CD1 3.89Å; L34-L250 HydrophobicContact CD2-CB 4.36Å; V229-L250 HydrophobicContact CG2-CD1 4.08Å; I245-L250 HydrophobicContact CG2-CD1 3.93Å; I245-L250 HydrophobicContact CG2-CD2 4.2Å; I245-L250 HydrophobicContact CG2-CG 3.58Å; H247-L250 PolarHBondContact O-N 2.87Å; L250-G253 PolarHBondContact O-N 2.81Å; L250-M254 WeakPolarHBondContact O-CB 3.4Å; L250-M254 VanDerWaalsContact O-CG 3.25Å; L250-M254 WeakPolarHBondContact O-CG 3.28Å; L250-M254 PolarHBondContact O-N 2.71Å; L250-M282 HydrophobicContact CD1-CE 3.73Å; L250-M282 HydrophobicContact CD2-CE 3.54Å; L250-M282 HydrophobicContact CG-CE 4.31Å; L250-T283 HydrophobicContact CD2-CG2 3.74Å; L250-C427 HydrophobicContact CD2-CB 4.17Å
251I98.3Very high96.1Very high4 Ų415.5 Ų15.52%0.0218%0.08CC..Hα-helixtrans-63.3-45.4-178.8-65.1172.9000110.7E26 D32 L34 L37 H247 G253 M254 T255E26-I251 HydrophobicContact CB-CG2 3.95Å; D32-I251 WeakPolarHBondContact O-CD1 3.26Å; L34-I251 HydrophobicContact CD2-CG1 4.1Å; L37-I251 HydrophobicContact CD1-CD1 4.07Å; L37-I251 HydrophobicContact CD1-CG1 3.76Å; L37-I251 HydrophobicContact CD1-CG2 4.38Å; H247-I251 WeakPolarHBondContact O-CG1 3.3Å; H247-I251 PolarHBondContact O-N 3.33Å; H247-I251 VanDerWaalsContact O-N 3.15Å; I251-G253 PolarHBondContact O-N 2.83Å; I251-M254 PolarHBondContact O-N 3.15Å; I251-T255 WeakPolarHBondContact O-CB 3.33Å; I251-T255 PolarHBondContact O-N 2.89Å; I251-T255 PolarHBondContact O-OG1 3.37Å
252A97.9Very high96.4Very high1 Ų116.3 Ų16.31%0.0089%0.091CC..Hα-helixtrans-61.8-44.317500000111.6I25 S248 M254 T255 G256 C449 P479 N480I25-A252 VanDerWaalsContact O-CA 3.27Å; I25-A252 WeakPolarHBondContact O-CA 3.35Å; I25-A252 PolarHBondContact O-N 3.01Å; S248-A252 WeakPolarHBondContact O-CB 3.33Å; S248-A252 PolarHBondContact O-N 2.97Å; A252-M254 PolarHBondContact O-N 3.19Å; A252-T255 WeakPolarHBondContact O-CB 3.49Å; A252-T255 PolarHBondContact O-N 3.21Å; A252-G256 PolarHBondContact O-N 3.25Å; A252-C449 WeakPolarHBondContact O-CB 3.26Å; A252-C449 PolarHBondContact O-SG 3.15Å; A252-P479 HydrophobicContact CB-CB 3.74Å; A252-P479 HydrophobicContact CB-CG 3.78Å; A252-N480 HydrophobicContact CB-CB 4.48Å
253G97.6Very high96.5Very high0 Ų019.8 Ų19.80%013%0.127CC..Hα-helixtrans-60.9-43.4176.200000113.1N249 L250 I251 G256 Q257N249-G253 PolarHBondContact O-N 3.41Å; L250-G253 PolarHBondContact O-N 2.81Å; I251-G253 PolarHBondContact O-N 2.83Å; G253-G256 PolarHBondContact O-N 3.41Å; G253-Q257 WeakPolarHBondContact O-CG 3.31Å; G253-Q257 PolarHBondContact O-N 2.9Å; G253-Q257 VanDerWaalsContact O-N 3.14Å; G253-Q257 PolarHBondContact O-NE2 3.19Å
254M97.6Very high96.6Very high6 Ų620.8 Ų20.83%0.0313%0.132CC..Hα-helixtrans-65.9-38.9176.9-74.1168.150.900111.9L34 L37 L250 I251 A252 G256 Q257 C258 T283 I286L34-M254 HydrophobicContact CD2-SD 4.44Å; L37-M254 HydrophobicContact CD1-CE 4.35Å; L250-M254 WeakPolarHBondContact O-CB 3.4Å; L250-M254 VanDerWaalsContact O-CG 3.25Å; L250-M254 WeakPolarHBondContact O-CG 3.28Å; L250-M254 PolarHBondContact O-N 2.71Å; I251-M254 PolarHBondContact O-N 3.15Å; A252-M254 PolarHBondContact O-N 3.19Å; M254-G256 VanDerWaalsContact C-N 3.32Å; M254-G256 PolarHBondContact O-N 2.93Å; M254-Q257 PolarHBondContact O-N 3.49Å; M254-C258 WeakPolarHBondContact O-CB 3.12Å; M254-C258 PolarHBondContact O-N 3.1Å; M254-C258 PolarHBondContact O-SG 3.48Å; M254-T283 HydrophobicContact CG-CG2 4.17Å; M254-I286 HydrophobicContact CE-CB 4.08Å; M254-I286 HydrophobicContact CE-CG2 3.55Å; M254-I286 HydrophobicContact SD-CB 4.13Å; M254-I286 HydrophobicContact SD-CG2 3.84Å
255T96.9Very high96.5Very high3 Ų319.4 Ų19.42%0.01813%0.127CC..Hα-helixtrans-54.3-49.6175.2-62.80000111A24 E26 D27 I251 A252 Q257 E259 I448A24-T255 HydrophobicContact CB-CG2 3.63Å; E26-T255 VanDerWaalsContact CA-OG1 3.26Å; E26-T255 WeakPolarHBondContact CA-OG1 3.43Å; D27-T255 PolarHBondContact N-OG1 2.91Å; D27-T255 WeakPolarHBondContact OD1-CG2 3.48Å; D27-T255 VanDerWaalsContact OD2-CA 3.31Å; D27-T255 WeakPolarHBondContact OD2-CA 3.32Å; I251-T255 WeakPolarHBondContact O-CB 3.33Å; I251-T255 PolarHBondContact O-N 2.89Å; I251-T255 PolarHBondContact O-OG1 3.37Å; A252-T255 WeakPolarHBondContact O-CB 3.49Å; A252-T255 PolarHBondContact O-N 3.21Å; T255-Q257 VanDerWaalsContact C-N 3.35Å; T255-Q257 PolarHBondContact O-N 3Å; T255-E259 PolarHBondContact O-N 2.82Å; T255-I448 HydrophobicContact CG2-CD1 4.29Å
256G96.2Very high96.5Very high0 Ų023 Ų230%015%0.151CC..Hα-helixtrans-63.7-36.5174.800000114.1A252 G253 M254 L447A252-G256 PolarHBondContact O-N 3.25Å; G253-G256 PolarHBondContact O-N 3.41Å; M254-G256 VanDerWaalsContact C-N 3.32Å; M254-G256 PolarHBondContact O-N 2.93Å; G256-L447 WeakPolarHBondContact O-CD2 3.27Å
257Q96.1Very high96.4Very high15 Ų1529.7 Ų29.77%0.0719%0.186CC..Hα-helixtrans-73.7-42.5-178.3-68.9167.445.100112.5G253 M254 T255 R260 T283 C427 I432 L447G253-Q257 WeakPolarHBondContact O-CG 3.31Å; G253-Q257 PolarHBondContact O-N 2.9Å; G253-Q257 VanDerWaalsContact O-N 3.14Å; G253-Q257 PolarHBondContact O-NE2 3.19Å; M254-Q257 PolarHBondContact O-N 3.49Å; T255-Q257 VanDerWaalsContact C-N 3.35Å; T255-Q257 PolarHBondContact O-N 3Å; Q257-R260 WeakPolarHBondContact O-CB 3.35Å; Q257-R260 PolarHBondContact O-N 3.21Å; Q257-T283 PolarHBondContact OE1-OG1 2.96Å; Q257-C427 PolarHBondContact NE2-O 3.44Å; Q257-C427 VanDerWaalsContact NE2-O 3.15Å; Q257-I432 HydrophobicContact CB-CD1 4.2Å; Q257-I432 HydrophobicContact CG-CD1 3.96Å; Q257-L447 HydrophobicContact CG-CD1 3.98Å
258C95.7Very high96.4Very high7 Ų729.8 Ų29.85%0.04719%0.187CC..Hα-helixtrans-68.8-35.5-176.2-66.20000112.1M254 R260 I261 L264 S287 Y291M254-C258 WeakPolarHBondContact O-CB 3.12Å; M254-C258 PolarHBondContact O-N 3.1Å; M254-C258 PolarHBondContact O-SG 3.48Å; C258-R260 PolarHBondContact O-N 2.89Å; C258-R260 VanDerWaalsContact O-N 3.13Å; C258-I261 PolarHBondContact O-N 2.9Å; C258-L264 HydrophobicContact CB-CD2 4.19Å; C258-S287 WeakPolarHBondContact SG-CB 3.37Å; C258-S287 PolarHBondContact SG-OG 3.29Å; C258-S287 VanDerWaalsContact SG-OG 3.35Å; C258-Y291 HydrophobicContact CB-CE2 3.81Å
259E94.5Very high96.4Very high81 Ų8127.9 Ų27.938%0.37917%0.173SC..Hα-helixtrans-52.6-35172.8-172.9-80.7141.100111.8T255 I261 I448T255-E259 PolarHBondContact O-N 2.82Å; E259-I261 PolarHBondContact O-N 3.23Å; E259-I448 HydrophobicContact CB-CD1 4.07Å; E259-I448 HydrophobicContact CG-CD1 4.05Å
260R93.8Very high96.4Very high8 Ų827.8 Ų27.83%0.0317%0.172CC..THydrogen-bonded Turntrans-78.62-179.2-63.9-72.2163.7114.8-3.8114.5Q257 C258 P262 M393 I432 V435 L447Q257-R260 WeakPolarHBondContact O-CB 3.35Å; Q257-R260 PolarHBondContact O-N 3.21Å; C258-R260 PolarHBondContact O-N 2.89Å; C258-R260 VanDerWaalsContact O-N 3.13Å; R260-P262 WeakPolarHBondContact O-CD 3.28Å; R260-M393 WeakPolarHBondContact O-CE 3.24Å; R260-I432 HydrophobicContact CB-CB 4.28Å; R260-I432 HydrophobicContact CB-CG2 3.92Å; R260-I432 HydrophobicContact CG-CB 4.07Å; R260-I432 HydrophobicContact CG-CG2 4.2Å; R260-I432 PolarHBondContact NH1-O 3.12Å; R260-V435 WeakPolarHBondContact O-CG2 3.33Å; R260-L447 HydrophobicContact CG-CD2 3.73Å
261I94.4Very high96.4Very high43 Ų4327.8 Ų27.822%0.22117%0.172CC..SBendtrans-117.487.4178.7-50175.6000108.9C258 E259 G263 L264 L325 M393C258-I261 PolarHBondContact O-N 2.9Å; E259-I261 PolarHBondContact O-N 3.23Å; I261-G263 PolarHBondContact O-N 3.22Å; I261-L264 HydrophobicContact CB-CB 4.2Å; I261-L264 HydrophobicContact CG2-CB 3.98Å; I261-L264 HydrophobicContact CG2-CD1 4.16Å; I261-L264 WeakPolarHBondContact O-CB 3.4Å; I261-L264 PolarHBondContact O-N 3.18Å; I261-L325 HydrophobicContact CG2-CD1 4.39Å; I261-L325 HydrophobicContact CG2-CD2 4.19Å; I261-M393 HydrophobicContact CG1-SD 4.47Å; I261-M393 HydrophobicContact CG2-SD 4.16Å
262P92.8Very high96.4Very high68 Ų6827.6 Ų27.644%0.44217%0.171SC..THydrogen-bonded Turntrans-57.4130.6-179-24.433.9000111.5R260 L264 R392 V435R260-P262 WeakPolarHBondContact O-CD 3.28Å; P262-L264 VanDerWaalsContact C-N 3.26Å; P262-L264 PolarHBondContact O-N 2.87Å; P262-R392 PolarHBondContact O-NH1 3.23Å; P262-R392 PolarHBondContact O-NH2 2.96Å; P262-V435 HydrophobicContact CG-CB 4.23Å; P262-V435 HydrophobicContact CG-CG2 3.63Å
263G94.2Very high96.1Very high74 Ų7427.9 Ų27.976%0.76317%0.172SC*.THydrogen-bonded Turntrans64.825.7177.700000114.3I261 G265 R392I261-G263 PolarHBondContact O-N 3.22Å; G263-G265 PolarHBondContact O-N 3.21Å; G263-R392 PolarHBondContact O-NH2 3.27Å
264L96.6Very high95.9Very high20 Ų2028.4 Ų28.411%0.10518%0.175CC..  trans-53.4125.3169.7-179.163.9000109.9C258 I261 P262 Y291 C293 L325C258-L264 HydrophobicContact CB-CD2 4.19Å; I261-L264 HydrophobicContact CB-CB 4.2Å; I261-L264 HydrophobicContact CG2-CB 3.98Å; I261-L264 HydrophobicContact CG2-CD1 4.16Å; I261-L264 WeakPolarHBondContact O-CB 3.4Å; I261-L264 PolarHBondContact O-N 3.18Å; P262-L264 VanDerWaalsContact C-N 3.26Å; P262-L264 PolarHBondContact O-N 2.87Å; L264-Y291 HydrophobicContact CB-CD1 4.3Å; L264-Y291 HydrophobicContact CD2-CD1 4.09Å; L264-Y291 HydrophobicContact CD2-CD2 3.62Å; L264-Y291 HydrophobicContact CD2-CE1 4.47Å; L264-Y291 HydrophobicContact CD2-CE2 4.04Å; L264-Y291 HydrophobicContact CD2-CG 3.64Å; L264-Y291 HydrophobicContact CG-CD1 4.07Å; L264-Y291 HydrophobicContact CG-CD2 4.29Å; L264-Y291 HydrophobicContact CG-CG 3.79Å; L264-C293 VanDerWaalsContact CD1-SG 3.55Å; L264-L325 HydrophobicContact CD1-CD1 3.52Å
265G96.7Very high95.5Very high10 Ų1029.5 Ų29.510%0.10318%0.183CC..SBendtrans177.5-169.1-173.600000114.7G263 D267 D268 Y291 C293G263-G265 PolarHBondContact O-N 3.21Å; G265-D267 PolarHBondContact O-N 2.69Å; G265-D267 VanDerWaalsContact O-N 3.1Å; G265-D268 PolarHBondContact N-OD2 3.35Å; G265-D268 WeakPolarHBondContact O-CB 3.44Å; G265-D268 PolarHBondContact O-N 3.46Å; G265-Y291 CarbonylContact C-O 3.56Å; G265-Y291 WeakPolarHBondContact CA-O 3.27Å; G265-C293 PolarHBondContact O-SG 3.49Å
266P96.6Very high95.4Very high77 Ų7729.4 Ų29.450%0.518%0.182SC..THydrogen-bonded Turntrans-67.2-14.2-171.727.2-36.6000115.5F45 D268 G292F45-P266 HydrophobicContact CD1-CB 4.4Å; F45-P266 HydrophobicContact CE1-CB 4.22Å; F45-P266 HydrophobicContact CE1-CG 4.01Å; P266-D268 PolarHBondContact O-N 2.94Å; P266-G292 VanDerWaalsContact CA-O 3.29Å; P266-G292 WeakPolarHBondContact CA-O 3.45Å
267D96.5Very high95.1Very high152 Ų15229.6 Ų29.681%0.81318%0.183SC*.THydrogen-bonded Turntrans-75.1-10.4172.1-68.9-38.6000112.6G265G265-D267 PolarHBondContact O-N 2.69Å; G265-D267 VanDerWaalsContact O-N 3.1Å
268D98Very high94.9Very high4 Ų429.9 Ų29.92%0.02119%0.185CC..  trans-87.1146.4179.6-75-55.5000113.9G265 P266 C293 R294 T324 L325 R392G265-D268 PolarHBondContact N-OD2 3.35Å; G265-D268 WeakPolarHBondContact O-CB 3.44Å; G265-D268 PolarHBondContact O-N 3.46Å; P266-D268 PolarHBondContact O-N 2.94Å; D268-C293 HydrophobicContact CB-CB 4.28Å; D268-R294 PolarHBondContact O-N 3.41Å; D268-T324 VanDerWaalsContact CA-OG1 3.23Å; D268-T324 WeakPolarHBondContact CA-OG1 3.37Å; D268-T324 WeakPolarHBondContact CB-OG1 3.41Å; D268-T324 WeakPolarHBondContact OD1-CB 3.45Å; D268-T324 PolarHBondContact OD1-OG1 3.42Å; D268-L325 HydrophobicContact CB-CD1 3.81Å; D268-L325 HydrophobicContact CB-CG 4.16Å; D268-R392 IonicContact OD1-CZ 3.39Å; D268-R392 IonicContact OD1-NE 3.57Å; D268-R392 PolarHBondContact OD1-NE 3.42Å; D268-R392 IonicContact OD1-NH2 2.75Å; D268-R392 PolarHBondContact OD1-NH2 2.74Å; D268-R392 IonicContact OD2-CZ 2.91Å; D268-R392 IonicContact OD2-NE 3.46Å; D268-R392 IonicContact OD2-NH2 3.49Å; D268-R392 PolarHBondContact OD2-NH2 2.81Å
269T98.3Very high94.9Very high4 Ų429.7 Ų29.73%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-126.1115.5171-59.20000108.4R294 L321 P323 T324 L325T269-R294 CarbonylContact C-O 3.54Å; T269-R294 WeakPolarHBondContact CA-O 3.41Å; T269-R294 HydrophobicContact CG2-CG 3.97Å; T269-R294 PolarHBondContact OG1-NE 2.91Å; T269-L321 HydrophobicContact CG2-CD1 3.55Å; T269-L321 HydrophobicContact CG2-CD2 4.19Å; T269-L321 HydrophobicContact CG2-CG 3.64Å; T269-P323 CarbonylContact O-C 3.54Å; T269-P323 WeakPolarHBondContact O-CA 3.43Å; T269-T324 PolarHBondContact N-OG1 3.43Å; T269-T324 PolarHBondContact O-N 2.97Å; T269-T324 PolarHBondContact O-OG1 2.41Å; T269-L325 PolarHBondContact O-N 3.48Å
270Y98.4Very high94.8Very high7 Ų726.8 Ų26.83%0.02717%0.17CC..EExtended strand (participates in β ladder)trans-90.8142.1176.3-173.9-108.8000110.7A272 E281 A284 E285 C288 R294 I295 G296 L325 A327Y270-A272 HydrophobicContact CD1-CB 4.2Å; Y270-A272 HydrophobicContact CE1-CB 4.1Å; Y270-E281 PolarHBondContact OH-OE2 3.35Å; Y270-A284 HydrophobicContact CE1-CB 4.44Å; Y270-A284 HydrophobicContact CE2-CB 4.31Å; Y270-E285 HydrophobicContact CD1-CG 4.27Å; Y270-E285 HydrophobicContact CE1-CG 3.97Å; Y270-C288 VanDerWaalsContact CB-SG 3.59Å; Y270-R294 PolarHBondContact N-O 3.06Å; Y270-I295 HydrophobicContact CD1-CG1 4.42Å; Y270-I295 HydrophobicContact CD1-CG2 4.23Å; Y270-I295 WeakPolarHBondContact O-CA 3.41Å; Y270-G296 PolarHBondContact O-N 3.25Å; Y270-L325 HydrophobicContact CD2-CB 3.94Å; Y270-A327 HydrophobicContact CE2-CB 4.35Å; Y270-A327 WeakPolarHBondContact OH-CB 3.28Å
271I97.8Very high94.9Very high0 Ų026.4 Ų26.40%017%0.169CC..EExtended strand (participates in β ladder)trans-104.3110.4171.8-171.5161.9000109.8Y273 L303 D317 C318 L321 P323 L325 M326I271-Y273 HydrophobicContact CG1-CD1 4.42Å; I271-Y273 HydrophobicContact CG2-CD1 4.37Å; I271-Y273 HydrophobicContact CG2-CE1 4.49Å; I271-L303 HydrophobicContact CD1-CD1 3.5Å; I271-L303 VanDerWaalsContact CD1-CD1 3.5Å; I271-L303 HydrophobicContact CG1-CD1 4.17Å; I271-D317 HydrophobicContact CD1-CB 4.11Å; I271-C318 VanDerWaalsContact CD1-SG 3.54Å; I271-L321 HydrophobicContact CB-CD2 3.8Å; I271-L321 HydrophobicContact CD1-CD2 4.07Å; I271-L321 HydrophobicContact CG1-CD2 3.85Å; I271-P323 HydrophobicContact CB-CB 3.9Å; I271-P323 HydrophobicContact CB-CG 4.13Å; I271-P323 HydrophobicContact CD1-CG 4.35Å; I271-P323 HydrophobicContact CG2-CB 3.92Å; I271-P323 HydrophobicContact CG2-CG 3.99Å; I271-L325 PolarHBondContact N-O 2.81Å; I271-M326 HydrophobicContact CG2-CB 3.99Å; I271-M326 HydrophobicContact CG2-CG 3.83Å; I271-M326 HydrophobicContact CG2-SD 4.42Å
272A97Very high95Very high0 Ų024.4 Ų24.40%016%0.158CC..EExtended strand (participates in β ladder)trans-92.6118.3-17900000110T114 Y270 E281 E285 I295 G296 Y297 S298T114-A272 HydrophobicContact CG2-CB 4.35Å; Y270-A272 HydrophobicContact CD1-CB 4.2Å; Y270-A272 HydrophobicContact CE1-CB 4.1Å; A272-E281 VanDerWaalsContact CA-OE1 3.27Å; A272-E281 WeakPolarHBondContact CA-OE1 3.44Å; A272-E285 HydrophobicContact CB-CG 4.24Å; A272-E285 VanDerWaalsContact CB-OE1 3.28Å; A272-E285 WeakPolarHBondContact CB-OE1 3.4Å; A272-I295 HydrophobicContact CB-CG2 3.52Å; A272-G296 PolarHBondContact N-O 3.44Å; A272-Y297 HydrophobicContact CB-CD1 3.65Å; A272-Y297 HydrophobicContact CB-CE1 3.74Å; A272-Y297 HydrophobicContact CB-CG 4.49Å; A272-Y297 CarbonylContact O-C 3.46Å; A272-Y297 WeakPolarHBondContact O-CA 3.44Å; A272-S298 WeakPolarHBondContact O-CA 3.48Å; A272-S298 PolarHBondContact O-N 3.43Å
273Y93.3Very high95.2Very high6 Ų621.1 Ų21.12%0.02414%0.137CC..  trans-155.2-9.8-178.375-85.5000113.5I271 E281 S298 P300 L303 M326 A327 A328 I332I271-Y273 HydrophobicContact CG1-CD1 4.42Å; I271-Y273 HydrophobicContact CG2-CD1 4.37Å; I271-Y273 HydrophobicContact CG2-CE1 4.49Å; Y273-E281 PolarHBondContact N-OE1 3.09Å; Y273-S298 WeakPolarHBondContact CA-O 3.4Å; Y273-P300 HydrophobicContact CD2-CG 4.09Å; Y273-P300 WeakPolarHBondContact O-CD 3.4Å; Y273-L303 HydrophobicContact CD1-CD1 3.9Å; Y273-L303 HydrophobicContact CE1-CD1 4.21Å; Y273-L303 HydrophobicContact CE2-CD2 4.49Å; Y273-L303 HydrophobicContact CG-CD1 4.09Å; Y273-M326 HydrophobicContact CE1-CE 3.57Å; Y273-M326 HydrophobicContact CE1-CG 4.1Å; Y273-M326 WeakPolarHBondContact OH-CE 3.34Å; Y273-A327 WeakPolarHBondContact CE1-O 3.09Å; Y273-A327 PolarHBondContact OH-O 2.83Å; Y273-A327 VanDerWaalsContact OH-O 3.06Å; Y273-A328 WeakPolarHBondContact OH-CA 3.35Å; Y273-A328 WeakPolarHBondContact OH-CB 3.45Å; Y273-I332 HydrophobicContact CE2-CD1 4.5Å; Y273-I332 HydrophobicContact CE2-CG1 4.16Å; Y273-I332 HydrophobicContact CE2-CG2 4.33Å
274L91.6Very high95.3Very high12 Ų1218.5 Ų18.56%0.06311%0.108CC..SBendtrans-79.5159.1170.8-61.4175.3000108.5T114 L276 L280 E281 A327 V329T114-L274 WeakPolarHBondContact CB-O 3.4Å; T114-L274 WeakPolarHBondContact CG2-O 3.44Å; T114-L274 PolarHBondContact OG1-O 3.31Å; L274-L276 PolarHBondContact O-N 2.88Å; L274-L280 HydrophobicContact CD1-CD2 4.33Å; L274-E281 HydrophobicContact CB-CB 3.99Å; L274-E281 HydrophobicContact CB-CG 4.08Å; L274-E281 PolarHBondContact N-OE1 3.4Å; L274-E281 WeakPolarHBondContact O-CG 3.37Å; L274-A327 HydrophobicContact CD1-CB 4.04Å; L274-V329 HydrophobicContact CD2-CG1 4.12Å; L274-V329 HydrophobicContact CD2-CG2 4.45Å
275P90.6Very high95.4Very high29 Ų2917.5 Ų17.519%0.18810%0.103CC..  trans-63.4123.9179.7-21.632.8000112.2T114 Y136 A277 H278 E281 D641T114-P275 VanDerWaalsContact OG1-CA 3.29Å; T114-P275 WeakPolarHBondContact OG1-CA 3.4Å; Y136-P275 HydrophobicContact CD1-CB 4.03Å; Y136-P275 HydrophobicContact CD1-CG 4.46Å; Y136-P275 HydrophobicContact CE1-CB 3.94Å; Y136-P275 HydrophobicContact CE1-CG 4.31Å; P275-A277 PolarHBondContact O-N 3.45Å; P275-H278 VanDerWaalsContact O-CB 3.26Å; P275-H278 WeakPolarHBondContact O-CB 3.39Å; P275-H278 PolarHBondContact O-N 3.49Å; P275-E281 WeakPolarHBondContact O-CB 3.45Å; P275-D641 HydrophobicContact CG-CB 3.79Å
276L93.8Very high95.4Very high1 Ų117.1 Ų17.11%0.00510%0.099CC..THydrogen-bonded Turntrans-64.4-21.8175.9-93.2168.1000113.3T114 W118 M119 L274 H278 E281 E285 Y297T114-L276 HydrophobicContact CG2-CD1 3.8Å; T114-L276 HydrophobicContact CG2-CG 3.88Å; T114-L276 PolarHBondContact OG1-N 3.05Å; W118-L276 HydrophobicContact CB-CD1 3.75Å; W118-L276 HydrophobicContact CD2-CB 3.59Å; W118-L276 HydrophobicContact CD2-CD1 3.66Å; W118-L276 HydrophobicContact CD2-CD2 4.49Å; W118-L276 HydrophobicContact CD2-CG 4.12Å; W118-L276 HydrophobicContact CE3-CB 3.85Å; W118-L276 HydrophobicContact CE3-CD1 3.59Å; W118-L276 HydrophobicContact CE3-CD2 3.9Å; W118-L276 HydrophobicContact CE3-CG 4Å; W118-L276 HydrophobicContact CG-CB 4.05Å; W118-L276 HydrophobicContact CG-CD1 3.72Å; W118-L276 HydrophobicContact CH2-CB 4.13Å; W118-L276 HydrophobicContact CH2-CD2 4.43Å; W118-L276 HydrophobicContact CZ2-CB 3.87Å; W118-L276 HydrophobicContact CZ3-CB 4.11Å; W118-L276 HydrophobicContact CZ3-CD1 4.4Å; W118-L276 HydrophobicContact CZ3-CD2 3.87Å; W118-L276 HydrophobicContact CZ3-CG 4.37Å; M119-L276 HydrophobicContact CE-CD2 3.93Å; L274-L276 PolarHBondContact O-N 2.88Å; L276-H278 PolarHBondContact O-N 2.68Å; L276-E281 HydrophobicContact CD2-CG 4.17Å; L276-E281 HydrophobicContact CG-CG 4.25Å; L276-E285 HydrophobicContact CD2-CB 4.44Å; L276-E285 HydrophobicContact CD2-CG 4.26Å; L276-E285 VanDerWaalsContact CD2-OE1 3.29Å; L276-E285 WeakPolarHBondContact CD2-OE1 3.3Å; L276-E285 WeakPolarHBondContact CG-OE1 3.35Å; L276-Y297 HydrophobicContact CD1-CE1 4.26Å
277A91.1Very high95.5Very high3 Ų313.7 Ų13.73%0.0258%0.077CC..THydrogen-bonded Turntrans-68.6-4.4169.200000113.8F135 Y136 P275F135-A277 WeakPolarHBondContact O-CB 3.35Å; Y136-A277 HydrophobicContact CD1-CB 4.31Å; Y136-A277 HydrophobicContact CD2-CB 4.35Å; Y136-A277 HydrophobicContact CG-CB 4.22Å; P275-A277 PolarHBondContact O-N 3.45Å
278H91.8Very high95.5Very high22 Ų226.7 Ų6.710%0.1024%0.04CC..SBendtrans-102.4131.7174-169.7-68.1000110.3Y136 P275 L276 L280 E281 M282Y136-H278 HydrophobicContact CE1-CB 4.11Å; Y136-H278 VanDerWaalsContact OH-CB 3.24Å; Y136-H278 WeakPolarHBondContact OH-CB 3.18Å; Y136-H278 PolarHBondContact OH-CD2 2.76Å; P275-H278 VanDerWaalsContact O-CB 3.26Å; P275-H278 WeakPolarHBondContact O-CB 3.39Å; P275-H278 PolarHBondContact O-N 3.49Å; L276-H278 PolarHBondContact O-N 2.68Å; H278-L280 VanDerWaalsContact C-N 3.27Å; H278-L280 WeakPolarHBondContact ND1-CB 3.35Å; H278-L280 PolarHBondContact ND1-N 3.17Å; H278-L280 VanDerWaalsContact ND1-N 3.2Å; H278-L280 PolarHBondContact O-N 2.78Å; H278-L280 VanDerWaalsContact O-N 3.1Å; H278-E281 PolarHBondContact O-N 3.42Å; H278-M282 PolarHBondContact O-N 3.42Å
279V94.6Very high95.5Very high3 Ų36.6 Ų6.62%0.0184%0.039CC..Hα-helixtrans-52.1-41-174.272.70000113.9M231 E281 M282 T283 C427M231-V279 HydrophobicContact CE-CB 4.3Å; M231-V279 HydrophobicContact SD-CB 3.65Å; M231-V279 HydrophobicContact SD-CG2 4.42Å; M231-V279 PolarHBondContact SD-N 2.93Å; V279-E281 PolarHBondContact O-N 2.88Å; V279-M282 PolarHBondContact O-N 3.15Å; V279-T283 HydrophobicContact CG2-CG2 4.09Å; V279-T283 WeakPolarHBondContact O-CG2 3.25Å; V279-T283 PolarHBondContact O-N 3.43Å; V279-T283 PolarHBondContact O-OG1 2.96Å; V279-C427 VanDerWaalsContact CG2-C 3.47Å
280L93.1Very high95.5Very high20 Ų206.5 Ų6.511%0.1054%0.039CC..Hα-helixtrans-54.7-46.4177.717963.5000113.5L274 H278 T283 A284 L395L274-L280 HydrophobicContact CD1-CD2 4.33Å; H278-L280 VanDerWaalsContact C-N 3.27Å; H278-L280 WeakPolarHBondContact ND1-CB 3.35Å; H278-L280 PolarHBondContact ND1-N 3.17Å; H278-L280 VanDerWaalsContact ND1-N 3.2Å; H278-L280 PolarHBondContact O-N 2.78Å; H278-L280 VanDerWaalsContact O-N 3.1Å; L280-T283 PolarHBondContact O-OG1 3.45Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.46Å; L280-A284 PolarHBondContact O-N 3.47Å; L280-L395 HydrophobicContact CD1-CD2 4.25Å
281E95.3Very high95.5Very high0 Ų08.5 Ų8.50%05%0.046CC..Hα-helixtrans-74.8-40.8-179.6-171.177146.400110.2Y270 A272 Y273 L274 P275 L276 H278 V279 T283 A284 E285Y270-E281 PolarHBondContact OH-OE2 3.35Å; A272-E281 VanDerWaalsContact CA-OE1 3.27Å; A272-E281 WeakPolarHBondContact CA-OE1 3.44Å; Y273-E281 PolarHBondContact N-OE1 3.09Å; L274-E281 HydrophobicContact CB-CB 3.99Å; L274-E281 HydrophobicContact CB-CG 4.08Å; L274-E281 PolarHBondContact N-OE1 3.4Å; L274-E281 WeakPolarHBondContact O-CG 3.37Å; P275-E281 WeakPolarHBondContact O-CB 3.45Å; L276-E281 HydrophobicContact CD2-CG 4.17Å; L276-E281 HydrophobicContact CG-CG 4.25Å; H278-E281 PolarHBondContact O-N 3.42Å; V279-E281 PolarHBondContact O-N 2.88Å; E281-T283 PolarHBondContact O-N 3.45Å; E281-A284 PolarHBondContact O-N 3.28Å; E281-E285 HydrophobicContact CG-CG 4.38Å; E281-E285 PolarHBondContact O-N 2.89Å
282M96.8Very high95.5Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-58.9-48.5178.7-169.9-179.276.900111.8W118 V229 M231 L250 H278 V279 I286W118-M282 HydrophobicContact CH2-CG 4.19Å; W118-M282 HydrophobicContact CH2-SD 4.07Å; W118-M282 HydrophobicContact CZ3-CG 4.4Å; V229-M282 HydrophobicContact CG1-CE 4.5Å; V229-M282 HydrophobicContact CG1-SD 4.42Å; V229-M282 HydrophobicContact CG2-CE 4.16Å; V229-M282 HydrophobicContact CG2-SD 4.21Å; M231-M282 HydrophobicContact CE-CB 4.45Å; M231-M282 HydrophobicContact CE-CE 3.62Å; M231-M282 HydrophobicContact CE-SD 3.59Å; M231-M282 VanDerWaalsContact CE-SD 3.59Å; L250-M282 HydrophobicContact CD1-CE 3.73Å; L250-M282 HydrophobicContact CD2-CE 3.54Å; L250-M282 HydrophobicContact CG-CE 4.31Å; H278-M282 PolarHBondContact O-N 3.42Å; V279-M282 PolarHBondContact O-N 3.15Å; M282-I286 HydrophobicContact CG-CD1 3.86Å; M282-I286 WeakPolarHBondContact O-CG1 3.3Å; M282-I286 PolarHBondContact O-N 3.16Å
283T96.6Very high95.5Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-68.4-37.117858.90000111.8L250 M254 Q257 V279 L280 E281 S287L250-T283 HydrophobicContact CD2-CG2 3.74Å; M254-T283 HydrophobicContact CG-CG2 4.17Å; Q257-T283 PolarHBondContact OE1-OG1 2.96Å; V279-T283 HydrophobicContact CG2-CG2 4.09Å; V279-T283 WeakPolarHBondContact O-CG2 3.25Å; V279-T283 PolarHBondContact O-N 3.43Å; V279-T283 PolarHBondContact O-OG1 2.96Å; L280-T283 PolarHBondContact O-OG1 3.45Å; E281-T283 PolarHBondContact O-N 3.45Å; T283-S287 WeakPolarHBondContact O-CB 3.5Å; T283-S287 PolarHBondContact O-N 2.95Å; T283-S287 PolarHBondContact O-OG 3.05Å
284A97.1Very high95.8Very high18 Ų1811.4 Ų11.415%0.1496%0.058CC..Hα-helixtrans-62.6-47176.500000112.2Y270 L280 E281 S287 C288Y270-A284 HydrophobicContact CE1-CB 4.44Å; Y270-A284 HydrophobicContact CE2-CB 4.31Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.46Å; L280-A284 PolarHBondContact O-N 3.47Å; E281-A284 PolarHBondContact O-N 3.28Å; A284-S287 PolarHBondContact O-N 2.77Å; A284-C288 WeakPolarHBondContact O-CB 3.4Å; A284-C288 PolarHBondContact O-N 2.68Å; A284-C288 PolarHBondContact O-SG 3.06Å
285E98Very high96.1Very high0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-67.2-46.5178.9-73.4-168.1-141.400112M119 Y270 A272 L276 E281 S287 C288 V289 I295 Y297M119-E285 HydrophobicContact CE-CB 3.52Å; M119-E285 HydrophobicContact CE-CG 4.41Å; M119-E285 WeakPolarHBondContact CE-OE2 3.41Å; Y270-E285 HydrophobicContact CD1-CG 4.27Å; Y270-E285 HydrophobicContact CE1-CG 3.97Å; A272-E285 HydrophobicContact CB-CG 4.24Å; A272-E285 VanDerWaalsContact CB-OE1 3.28Å; A272-E285 WeakPolarHBondContact CB-OE1 3.4Å; L276-E285 HydrophobicContact CD2-CB 4.44Å; L276-E285 HydrophobicContact CD2-CG 4.26Å; L276-E285 VanDerWaalsContact CD2-OE1 3.29Å; L276-E285 WeakPolarHBondContact CD2-OE1 3.3Å; L276-E285 WeakPolarHBondContact CG-OE1 3.35Å; E281-E285 HydrophobicContact CG-CG 4.38Å; E281-E285 PolarHBondContact O-N 2.89Å; E285-S287 VanDerWaalsContact C-N 3.27Å; E285-S287 PolarHBondContact O-N 3.06Å; E285-C288 WeakPolarHBondContact O-CB 3.42Å; E285-C288 PolarHBondContact O-N 2.64Å; E285-C288 VanDerWaalsContact O-N 3.14Å; E285-V289 WeakPolarHBondContact O-CG2 3.29Å; E285-V289 PolarHBondContact O-N 3.03Å; E285-I295 HydrophobicContact CB-CD1 3.92Å; E285-I295 HydrophobicContact CG-CD1 4.09Å; E285-I295 HydrophobicContact CG-CG2 4.5Å; E285-Y297 WeakPolarHBondContact OE2-CE1 3.45Å; E285-Y297 PolarHBondContact OE2-OH 3.48Å
286I98Very high96.5Very high2 Ų29.4 Ų9.41%0.015%0.046CC..Hα-helixtrans-62.1-38.9178.4-61.8169.7000110.3L34 M119 F126 M254 M282 V289 T290L34-I286 HydrophobicContact CD2-CG2 4.17Å; M119-I286 HydrophobicContact CE-CG1 4.25Å; M119-I286 HydrophobicContact SD-CG1 4.27Å; F126-I286 HydrophobicContact CE2-CD1 4.17Å; M254-I286 HydrophobicContact CE-CB 4.08Å; M254-I286 HydrophobicContact CE-CG2 3.55Å; M254-I286 HydrophobicContact SD-CB 4.13Å; M254-I286 HydrophobicContact SD-CG2 3.84Å; M282-I286 HydrophobicContact CG-CD1 3.86Å; M282-I286 WeakPolarHBondContact O-CG1 3.3Å; M282-I286 PolarHBondContact O-N 3.16Å; I286-V289 PolarHBondContact O-N 3.19Å; I286-T290 WeakPolarHBondContact O-CB 3.34Å; I286-T290 PolarHBondContact O-N 3.22Å; I286-T290 PolarHBondContact O-OG1 2.9Å
287S97.4Very high96.6Very high5 Ų510 Ų104%0.0355%0.048CC..Hα-helixtrans-61.3-47.4173.6-59.40000111.6C258 T283 A284 E285 V289 T290 Y291C258-S287 WeakPolarHBondContact SG-CB 3.37Å; C258-S287 PolarHBondContact SG-OG 3.29Å; C258-S287 VanDerWaalsContact SG-OG 3.35Å; T283-S287 WeakPolarHBondContact O-CB 3.5Å; T283-S287 PolarHBondContact O-N 2.95Å; T283-S287 PolarHBondContact O-OG 3.05Å; A284-S287 PolarHBondContact O-N 2.77Å; E285-S287 VanDerWaalsContact C-N 3.27Å; E285-S287 PolarHBondContact O-N 3.06Å; S287-V289 PolarHBondContact O-N 3.34Å; S287-T290 PolarHBondContact O-N 3.27Å; S287-T290 VanDerWaalsContact O-N 3.16Å; S287-Y291 WeakPolarHBondContact O-CD2 3.42Å; S287-Y291 PolarHBondContact O-N 3.28Å
288C98.1Very high96.8Very high5 Ų510.5 Ų10.53%0.0345%0.052CC..Hα-helixtrans-57.4-47.7176.2-72.70000111.6Y270 A284 E285 T290 Y291 G292 C293 I295Y270-C288 VanDerWaalsContact CB-SG 3.59Å; A284-C288 WeakPolarHBondContact O-CB 3.4Å; A284-C288 PolarHBondContact O-N 2.68Å; A284-C288 PolarHBondContact O-SG 3.06Å; E285-C288 WeakPolarHBondContact O-CB 3.42Å; E285-C288 PolarHBondContact O-N 2.64Å; E285-C288 VanDerWaalsContact O-N 3.14Å; C288-T290 VanDerWaalsContact C-N 3.32Å; C288-T290 PolarHBondContact O-N 2.8Å; C288-Y291 PolarHBondContact O-N 3Å; C288-G292 PolarHBondContact O-N 3.45Å; C288-C293 HydrophobicContact CB-CB 3.79Å; C288-C293 VanDerWaalsContact O-CB 3.28Å; C288-C293 WeakPolarHBondContact O-CB 3.43Å; C288-C293 PolarHBondContact O-N 2.93Å; C288-I295 HydrophobicContact CB-CD1 3.94Å; C288-I295 HydrophobicContact CB-CG1 3.95Å
289V98Very high96.7Very high1 Ų110.9 Ų10.91%0.0066%0.057CC..Hα-helixtrans-58-46.6176.1173.50000110.4F38 A41 Y83 E285 I286 S287 Y291 G292 I295F38-V289 HydrophobicContact CD2-CG1 3.69Å; F38-V289 HydrophobicContact CE2-CG1 4.01Å; A41-V289 VanDerWaalsContact CB-O 3.25Å; A41-V289 WeakPolarHBondContact CB-O 3.38Å; Y83-V289 HydrophobicContact CE1-CG1 3.85Å; Y83-V289 VanDerWaalsContact CE1-O 3.27Å; Y83-V289 WeakPolarHBondContact CE1-O 3.47Å; Y83-V289 WeakPolarHBondContact OH-CA 3.47Å; Y83-V289 PolarHBondContact OH-O 3.36Å; E285-V289 WeakPolarHBondContact O-CG2 3.29Å; E285-V289 PolarHBondContact O-N 3.03Å; I286-V289 PolarHBondContact O-N 3.19Å; S287-V289 PolarHBondContact O-N 3.34Å; V289-Y291 VanDerWaalsContact C-N 3.31Å; V289-Y291 PolarHBondContact O-N 3.29Å; V289-G292 PolarHBondContact O-N 3.48Å; V289-I295 HydrophobicContact CG2-CD1 3.68Å
290T97.7Very high96.3Very high3 Ų312.3 Ų12.32%0.0187%0.066CC..Hα-helixtrans-61.8-38-176-58.10000112.2F28 L37 I286 S287 C288F28-T290 HydrophobicContact CD2-CG2 4.13Å; F28-T290 HydrophobicContact CE2-CG2 3.52Å; F28-T290 HydrophobicContact CZ-CG2 4.27Å; L37-T290 HydrophobicContact CB-CG2 4.18Å; L37-T290 HydrophobicContact CD2-CG2 3.99Å; L37-T290 HydrophobicContact CG-CG2 4.5Å; I286-T290 WeakPolarHBondContact O-CB 3.34Å; I286-T290 PolarHBondContact O-N 3.22Å; I286-T290 PolarHBondContact O-OG1 2.9Å; S287-T290 PolarHBondContact O-N 3.27Å; S287-T290 VanDerWaalsContact O-N 3.16Å; C288-T290 VanDerWaalsContact C-N 3.32Å; C288-T290 PolarHBondContact O-N 2.8Å
291Y97.8Very high95.9Very high48 Ų4814 Ų1419%0.1887%0.074CC..THydrogen-bonded Turntrans-90.65.9-178.6-78.3-98.8000114.4D27 F28 F45 C258 L264 G265 S287 C288 V289D27-Y291 VanDerWaalsContact CG-OH 3.32Å; D27-Y291 PolarHBondContact OD2-OH 2.96Å; F28-Y291 HydrophobicContact CE2-CE2 4.03Å; F28-Y291 HydrophobicContact CZ-CE1 4.07Å; F28-Y291 HydrophobicContact CZ-CE2 4.18Å; F28-Y291 AromaticContact CZ-CZ 3.9Å; F45-Y291 WeakPolarHBondContact CZ-O 3.46Å; C258-Y291 HydrophobicContact CB-CE2 3.81Å; L264-Y291 HydrophobicContact CB-CD1 4.3Å; L264-Y291 HydrophobicContact CD2-CD1 4.09Å; L264-Y291 HydrophobicContact CD2-CD2 3.62Å; L264-Y291 HydrophobicContact CD2-CE1 4.47Å; L264-Y291 HydrophobicContact CD2-CE2 4.04Å; L264-Y291 HydrophobicContact CD2-CG 3.64Å; L264-Y291 HydrophobicContact CG-CD1 4.07Å; L264-Y291 HydrophobicContact CG-CD2 4.29Å; L264-Y291 HydrophobicContact CG-CG 3.79Å; G265-Y291 CarbonylContact C-O 3.56Å; G265-Y291 WeakPolarHBondContact CA-O 3.27Å; S287-Y291 WeakPolarHBondContact O-CD2 3.42Å; S287-Y291 PolarHBondContact O-N 3.28Å; C288-Y291 PolarHBondContact O-N 3Å; V289-Y291 VanDerWaalsContact C-N 3.31Å; V289-Y291 PolarHBondContact O-N 3.29Å
292G97.7Very high95.6Very high3 Ų314.5 Ų14.53%0.0318%0.076CC..THydrogen-bonded Turntrans85.210.5176.700000114.9F45 Y83 P266 C288 V289F45-G292 VanDerWaalsContact CE2-N 3.35Å; Y83-G292 WeakPolarHBondContact OH-CA 3.49Å; P266-G292 VanDerWaalsContact CA-O 3.29Å; P266-G292 WeakPolarHBondContact CA-O 3.45Å; C288-G292 PolarHBondContact O-N 3.45Å; V289-G292 PolarHBondContact O-N 3.48Å
293C98.2Very high95.3Very high0 Ų015 Ų150%08%0.079CC..  trans-74.1148.2179.4-51.10000110.3Y83 L264 G265 D268 C288Y83-C293 PolarHBondContact OH-N 3.25Å; Y83-C293 PolarHBondContact OH-O 3.06Å; L264-C293 VanDerWaalsContact CD1-SG 3.55Å; G265-C293 PolarHBondContact O-SG 3.49Å; D268-C293 HydrophobicContact CB-CB 4.28Å; C288-C293 HydrophobicContact CB-CB 3.79Å; C288-C293 VanDerWaalsContact O-CB 3.28Å; C288-C293 WeakPolarHBondContact O-CB 3.43Å; C288-C293 PolarHBondContact O-N 2.93Å
294R97.9Very high94.9Very high64 Ų6416.3 Ų16.324%0.2429%0.088CC..EExtended strand (participates in β ladder)trans-91.3141170.675.3-175.9-168.6161.59111.6D49 C50 W80 D268 T269 Y270D49-R294 HydrophobicContact CB-CB 4.13Å; D49-R294 VanDerWaalsContact O-CB 3.23Å; D49-R294 WeakPolarHBondContact O-CB 3.45Å; D49-R294 IonicContact OD2-NH1 3.82Å; C50-R294 CarbonylContact O-C 3.53Å; C50-R294 WeakPolarHBondContact O-CA 3.45Å; W80-R294 HydrophobicContact CE3-CB 4.36Å; W80-R294 HydrophobicContact CH2-CB 4.13Å; W80-R294 HydrophobicContact CH2-CG 3.82Å; W80-R294 HydrophobicContact CZ3-CB 3.68Å; W80-R294 HydrophobicContact CZ3-CG 3.91Å; D268-R294 PolarHBondContact O-N 3.41Å; T269-R294 CarbonylContact C-O 3.54Å; T269-R294 WeakPolarHBondContact CA-O 3.41Å; T269-R294 HydrophobicContact CG2-CG 3.97Å; T269-R294 PolarHBondContact OG1-NE 2.91Å; Y270-R294 PolarHBondContact N-O 3.06Å
295I98.7Very high94.4Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-113.8120.6-176.6-61.5169.8000109.3C50 L51 G52 W80 Y270 A272 E285 C288 V289 Y297C50-I295 PolarHBondContact O-N 3.26Å; L51-I295 HydrophobicContact CD2-CB 4.18Å; L51-I295 HydrophobicContact CD2-CD1 4.14Å; G52-I295 PolarHBondContact N-O 3.01Å; W80-I295 WeakPolarHBondContact CZ3-O 3.46Å; Y270-I295 HydrophobicContact CD1-CG1 4.42Å; Y270-I295 HydrophobicContact CD1-CG2 4.23Å; Y270-I295 WeakPolarHBondContact O-CA 3.41Å; A272-I295 HydrophobicContact CB-CG2 3.52Å; E285-I295 HydrophobicContact CB-CD1 3.92Å; E285-I295 HydrophobicContact CG-CD1 4.09Å; E285-I295 HydrophobicContact CG-CG2 4.5Å; C288-I295 HydrophobicContact CB-CD1 3.94Å; C288-I295 HydrophobicContact CB-CG1 3.95Å; V289-I295 HydrophobicContact CG2-CD1 3.68Å; I295-Y297 HydrophobicContact CG2-CE1 4.37Å; I295-Y297 HydrophobicContact CG2-CE2 4.33Å
296G98.3Very high93.6Very high0 Ų024.2 Ų24.20%012%0.124CC..EExtended strand (participates in β ladder)trans-101.1117.917100000111.3Y270 A272Y270-G296 PolarHBondContact O-N 3.25Å; A272-G296 PolarHBondContact N-O 3.44Å
297Y97.4Very high92.9Very high12 Ų1224.9 Ų24.95%0.04713%0.129CC..EExtended strand (participates in β ladder)trans-71.7143.7176.7-69.9-73.7000111.9L51 G52 Y78 T114 A116 M119 A272 L276 E285 I295L51-Y297 HydrophobicContact CB-CE2 4.2Å; L51-Y297 HydrophobicContact CD2-CE2 4.1Å; L51-Y297 HydrophobicContact CG-CE2 4.5Å; G52-Y297 PolarHBondContact O-N 2.95Å; Y78-Y297 WeakPolarHBondContact CE1-O 3.33Å; Y78-Y297 PolarHBondContact OH-O 3.26Å; Y78-Y297 VanDerWaalsContact OH-O 3.07Å; T114-Y297 HydrophobicContact CG2-CD1 3.79Å; T114-Y297 HydrophobicContact CG2-CE1 3.89Å; A116-Y297 HydrophobicContact CB-CD2 3.89Å; A116-Y297 HydrophobicContact CB-CE2 3.57Å; A116-Y297 VanDerWaalsContact N-CE2 3.31Å; M119-Y297 WeakPolarHBondContact CB-OH 3.43Å; A272-Y297 HydrophobicContact CB-CD1 3.65Å; A272-Y297 HydrophobicContact CB-CE1 3.74Å; A272-Y297 HydrophobicContact CB-CG 4.49Å; A272-Y297 CarbonylContact O-C 3.46Å; A272-Y297 WeakPolarHBondContact O-CA 3.44Å; L276-Y297 HydrophobicContact CD1-CE1 4.26Å; E285-Y297 WeakPolarHBondContact OE2-CE1 3.45Å; E285-Y297 PolarHBondContact OE2-OH 3.48Å; I295-Y297 HydrophobicContact CG2-CE1 4.37Å; I295-Y297 HydrophobicContact CG2-CE2 4.33Å
298S94.9Very high92.1Very high14 Ų1428.2 Ų28.210%0.09815%0.15CC..  trans-155.7174.7-171.41660000108.9A272 Y273 D317A272-S298 WeakPolarHBondContact O-CA 3.48Å; A272-S298 PolarHBondContact O-N 3.43Å; Y273-S298 WeakPolarHBondContact CA-O 3.4Å; S298-D317 WeakPolarHBondContact CA-OD2 3.21Å; S298-D317 WeakPolarHBondContact CB-OD2 3.38Å; S298-D317 WeakPolarHBondContact OG-CB 3.4Å; S298-D317 PolarHBondContact OG-OD2 3.09Å
299S89.7Confident91.3Very high31 Ų3132 Ų3222%0.21716%0.163CC..  trans-134159.7170.577.30000110.7Q301 T302 L303S299-Q301 PolarHBondContact O-N 3.01Å; S299-Q301 PolarHBondContact OG-N 3.29Å; S299-T302 PolarHBondContact N-OG1 2.93Å; S299-T302 PolarHBondContact O-N 2.99Å; S299-T302 PolarHBondContact O-OG1 3.26Å; S299-T302 WeakPolarHBondContact OG-CG2 3.26Å; S299-T302 PolarHBondContact OG-N 3.32Å; S299-T302 VanDerWaalsContact OG-N 3.13Å; S299-T302 PolarHBondContact OG-OG1 2.84Å; S299-L303 WeakPolarHBondContact O-CB 3.29Å; S299-L303 PolarHBondContact O-N 3.13Å
300P84.6Confident90.8Very high33 Ų3332.2 Ų32.221%0.21416%0.164CC..THydrogen-bonded Turntrans-54.6-24.3171.6-24.333.2000113.2Y273 I332 F643Y273-P300 HydrophobicContact CD2-CG 4.09Å; Y273-P300 WeakPolarHBondContact O-CD 3.4Å; P300-I332 HydrophobicContact CB-CD1 4.33Å; P300-F643 HydrophobicContact CG-CE2 4.48Å
301Q85.4Confident90.2Very high56 Ų5635.2 Ų35.226%0.26218%0.177SC..THydrogen-bonded Turntrans-92.3-6.4-177.7-53.3-173.421.300113.5S299 S307 T308 R309S299-Q301 PolarHBondContact O-N 3.01Å; S299-Q301 PolarHBondContact OG-N 3.29Å; Q301-S307 CarbonylContact O-C 3.55Å; Q301-S307 WeakPolarHBondContact O-CB 3.32Å; Q301-T308 PolarHBondContact O-N 2.6Å; Q301-R309 HydrophobicContact CB-CB 4.07Å; Q301-R309 HydrophobicContact CB-CG 3.82Å; Q301-R309 WeakPolarHBondContact O-CB 3.33Å; Q301-R309 PolarHBondContact O-N 3.28Å; Q301-R309 VanDerWaalsContact OE1-CD 3.31Å
302T89.9Confident89.5Confident9 Ų941.7 Ų41.76%0.05521%0.206CC..THydrogen-bonded Turntrans-125.3-8.4179.1560000113.8L73 L75 S299 S304 R309 I310 G316 D317L73-T302 HydrophobicContact CD1-CG2 4.22Å; L75-T302 HydrophobicContact CD1-CG2 4.27Å; S299-T302 PolarHBondContact N-OG1 2.93Å; S299-T302 PolarHBondContact O-N 2.99Å; S299-T302 PolarHBondContact O-OG1 3.26Å; S299-T302 WeakPolarHBondContact OG-CG2 3.26Å; S299-T302 PolarHBondContact OG-N 3.32Å; S299-T302 VanDerWaalsContact OG-N 3.13Å; S299-T302 PolarHBondContact OG-OG1 2.84Å; T302-S304 VanDerWaalsContact C-N 3.28Å; T302-S304 PolarHBondContact O-N 3.12Å; T302-S304 VanDerWaalsContact O-N 3.07Å; T302-R309 HydrophobicContact CG2-CB 3.97Å; T302-I310 HydrophobicContact CG2-CD1 3.96Å; T302-G316 VanDerWaalsContact O-CA 3.31Å; T302-G316 WeakPolarHBondContact O-CA 3.38Å; T302-D317 VanDerWaalsContact C-OD2 3.26Å; T302-D317 WeakPolarHBondContact CB-OD2 3.44Å; T302-D317 PolarHBondContact O-N 3.21Å; T302-D317 PolarHBondContact OG1-OD2 3.35Å
303L89.3Confident88.7Confident11 Ų1145.8 Ų45.86%0.05825%0.248CC..SBendtrans-47.5-40.8-175.9-16970.2000115.3I271 Y273 S299 D317 C318 M326 I332I271-L303 HydrophobicContact CD1-CD1 3.5Å; I271-L303 VanDerWaalsContact CD1-CD1 3.5Å; I271-L303 HydrophobicContact CG1-CD1 4.17Å; Y273-L303 HydrophobicContact CD1-CD1 3.9Å; Y273-L303 HydrophobicContact CE1-CD1 4.21Å; Y273-L303 HydrophobicContact CE2-CD2 4.49Å; Y273-L303 HydrophobicContact CG-CD1 4.09Å; S299-L303 WeakPolarHBondContact O-CB 3.29Å; S299-L303 PolarHBondContact O-N 3.13Å; L303-D317 PolarHBondContact O-N 3.02Å; L303-C318 VanDerWaalsContact O-CB 3.31Å; L303-C318 WeakPolarHBondContact O-CB 3.34Å; L303-C318 PolarHBondContact O-N 2.95Å; L303-C318 PolarHBondContact O-SG 3.26Å; L303-C318 VanDerWaalsContact O-SG 3.32Å; L303-M326 HydrophobicContact CD1-CE 4.46Å; L303-M326 HydrophobicContact CD2-CE 3.91Å; L303-I332 HydrophobicContact CD2-CG2 4.18Å
304S87.9Confident88.2Confident27 Ų2747 Ų4719%0.18926%0.257CS..SBendtrans-125.9159.7-175.377.90000111.6T302 Q306 S307T302-S304 VanDerWaalsContact C-N 3.28Å; T302-S304 PolarHBondContact O-N 3.12Å; T302-S304 VanDerWaalsContact O-N 3.07Å; S304-Q306 PolarHBondContact O-N 3.12Å; S304-Q306 PolarHBondContact OG-N 2.72Å; S304-S307 PolarHBondContact N-OG 2.91Å; S304-S307 VanDerWaalsContact O-CB 3.26Å; S304-S307 WeakPolarHBondContact O-CB 3.38Å; S304-S307 PolarHBondContact O-N 3.45Å; S304-S307 PolarHBondContact O-OG 2.73Å; S304-S307 PolarHBondContact OG-N 3.21Å; S304-S307 PolarHBondContact OG-OG 3.48Å
305D86.5Confident87.8Confident74 Ų7450.1 Ų50.140%0.39627%0.272SS..THydrogen-bonded Turntrans-58.6-18.1175.1-56.8-9.7000113.4K315 G316 S319D305-K315 WeakPolarHBondContact OD1-CA 3.4Å; D305-G316 PolarHBondContact OD1-N 3.25Å; D305-S319 VanDerWaalsContact CG-OG 3.25Å; D305-S319 VanDerWaalsContact OD1-CB 3.27Å; D305-S319 WeakPolarHBondContact OD1-CB 3.21Å; D305-S319 PolarHBondContact OD1-OG 3.23Å; D305-S319 PolarHBondContact OD2-OG 3.42Å
306Q81.9Confident87.5Confident110 Ų11050.1 Ų50.151%0.51427%0.272SS..THydrogen-bonded Turntrans-102.13.2179.1-63.3-174.5-26.400112.9S304S304-Q306 PolarHBondContact O-N 3.12Å; S304-Q306 PolarHBondContact OG-N 2.72Å
307S83.1Confident87.3Confident16 Ų1650.2 Ų50.211%0.11227%0.272CS..SBendtrans-68.8154.8-177.4-63.40000111.8Q301 S304 R309 I310Q301-S307 CarbonylContact O-C 3.55Å; Q301-S307 WeakPolarHBondContact O-CB 3.32Å; S304-S307 PolarHBondContact N-OG 2.91Å; S304-S307 VanDerWaalsContact O-CB 3.26Å; S304-S307 WeakPolarHBondContact O-CB 3.38Å; S304-S307 PolarHBondContact O-N 3.45Å; S304-S307 PolarHBondContact O-OG 2.73Å; S304-S307 PolarHBondContact OG-N 3.21Å; S304-S307 PolarHBondContact OG-OG 3.48Å; S307-R309 VanDerWaalsContact C-N 3.32Å; S307-R309 PolarHBondContact O-N 3Å; S307-I310 PolarHBondContact O-N 2.94Å; S307-I310 VanDerWaalsContact O-N 3.09Å
308T80.6Confident87.2Confident75 Ų7549.6 Ų49.646%0.4627%0.27SS..THydrogen-bonded Turntrans-65-28.7-166.349.10000114.4K72 Q301K72-T308 PolarHBondContact NZ-O 3.32Å; Q301-T308 PolarHBondContact O-N 2.6Å
309R82.5Confident87.1Confident86 Ų8650.1 Ų50.133%0.32527%0.274SS..THydrogen-bonded Turntrans-89.5-10.4175.9-77.6-174.4-174.9-169.3-0.8113.4K72 L73 Q301 T302 S307K72-R309 CarbonylContact C-O 3.59Å; K72-R309 WeakPolarHBondContact CA-O 3.14Å; L73-R309 HydrophobicContact CD1-CB 4.33Å; L73-R309 HydrophobicContact CG-CB 4.47Å; L73-R309 PolarHBondContact N-O 3.29Å; Q301-R309 HydrophobicContact CB-CB 4.07Å; Q301-R309 HydrophobicContact CB-CG 3.82Å; Q301-R309 WeakPolarHBondContact O-CB 3.33Å; Q301-R309 PolarHBondContact O-N 3.28Å; Q301-R309 VanDerWaalsContact OE1-CD 3.31Å; T302-R309 HydrophobicContact CG2-CB 3.97Å; S307-R309 VanDerWaalsContact C-N 3.32Å; S307-R309 PolarHBondContact O-N 3Å
310I86.5Confident87.4Confident4 Ų450 Ų502%0.02127%0.272CS..BIsolated β-bridgetrans-82.3131.8178.2-60-60.8000110.1L75 T302 S307L75-I310 HydrophobicContact CD1-CD1 3.76Å; L75-I310 HydrophobicContact CG-CD1 4.29Å; T302-I310 HydrophobicContact CG2-CD1 3.96Å; S307-I310 PolarHBondContact O-N 2.94Å; S307-I310 VanDerWaalsContact O-N 3.09Å
311K85.2Confident88Confident67 Ų6748.5 Ų48.529%0.29126%0.262SS..PPolyproline II helixtrans-65.5134.9171.8-175.3176.9178.5171.70110.1E60 K72 L73 I74 G313 S314E60-K311 IonicContact OE1-NZ 2.66Å; E60-K311 PolarHBondContact OE1-NZ 2.98Å; E60-K311 WeakPolarHBondContact OE2-CD 3.36Å; E60-K311 WeakPolarHBondContact OE2-CE 3.49Å; E60-K311 IonicContact OE2-NZ 2.75Å; E60-K311 PolarHBondContact OE2-NZ 3.46Å; K72-K311 HydrophobicContact CB-CB 4.35Å; L73-K311 PolarHBondContact O-N 3.38Å; L73-K311 VanDerWaalsContact O-N 3.15Å; I74-K311 HydrophobicContact CD1-CD 3.6Å; I74-K311 HydrophobicContact CG1-CB 4.11Å; I74-K311 HydrophobicContact CG1-CD 3.78Å; K311-G313 PolarHBondContact O-N 3.27Å; K311-S314 VanDerWaalsContact O-CB 3.27Å; K311-S314 WeakPolarHBondContact O-CB 3.24Å; K311-S314 PolarHBondContact O-N 2.87Å; K311-S314 PolarHBondContact O-OG 2.92Å
312K83.1Confident88.5Confident184 Ų18450.9 Ų50.980%0.827%0.271SS*.THydrogen-bonded Turntrans-54.6129.6177.5-71.6179.7-177.7167.60110.4
313G81.2Confident88.9Confident88 Ų8850.4 Ų50.491%0.90727%0.269SS*.THydrogen-bonded Turntrans91.1-8.4-176.400000114.7K311K311-G313 PolarHBondContact O-N 3.27Å
314S87.6Confident89.3Confident27 Ų2750.5 Ų50.519%0.18927%0.269CS..SBendtrans-92.2165.5171.5-56.70000111.5K311K311-S314 VanDerWaalsContact O-CB 3.27Å; K311-S314 WeakPolarHBondContact O-CB 3.24Å; K311-S314 PolarHBondContact O-N 2.87Å; K311-S314 PolarHBondContact O-OG 2.92Å
315K89.9Confident89.7Confident128 Ų12849.7 Ų49.756%0.55726%0.263SS*.  trans-93.9137.5179.3-64.3179.5-175.3168.80110.7D305 V320D305-K315 WeakPolarHBondContact OD1-CA 3.4Å; K315-V320 HydrophobicContact CB-CG2 3.92Å; K315-V320 HydrophobicContact CD-CG2 3.89Å
316G92.1Very high90.2Very high0 Ų046.4 Ų46.40%025%0.245CC..  trans-86.1-179.1168.800000112.7R54 T302 D305 S319R54-G316 VanDerWaalsContact NH2-C 3.3Å; R54-G316 PolarHBondContact NH2-O 3.35Å; T302-G316 VanDerWaalsContact O-CA 3.31Å; T302-G316 WeakPolarHBondContact O-CA 3.38Å; D305-G316 PolarHBondContact OD1-N 3.25Å; G316-S319 PolarHBondContact O-N 3.44Å
317D94.9Very high90.7Very high2 Ų241.3 Ų41.31%0.01122%0.222CC..Hα-helixtrans-57.7-54.7-170.1-67.2-38.1000114R54 Y78 I271 S298 T302 L303 S319 V320 L321R54-D317 VanDerWaalsContact CG-OD1 3.32Å; R54-D317 WeakPolarHBondContact CG-OD1 3.29Å; R54-D317 IonicContact CZ-OD1 3.35Å; R54-D317 IonicContact NE-OD1 3.61Å; R54-D317 PolarHBondContact NE-OD1 3.33Å; R54-D317 PolarHBondContact NH2-O 3.18Å; R54-D317 VanDerWaalsContact NH2-O 3.11Å; R54-D317 IonicContact NH2-OD1 3.02Å; Y78-D317 PolarHBondContact OH-OD1 2.95Å; I271-D317 HydrophobicContact CD1-CB 4.11Å; S298-D317 WeakPolarHBondContact CA-OD2 3.21Å; S298-D317 WeakPolarHBondContact CB-OD2 3.38Å; S298-D317 WeakPolarHBondContact OG-CB 3.4Å; S298-D317 PolarHBondContact OG-OD2 3.09Å; T302-D317 VanDerWaalsContact C-OD2 3.26Å; T302-D317 WeakPolarHBondContact CB-OD2 3.44Å; T302-D317 PolarHBondContact O-N 3.21Å; T302-D317 PolarHBondContact OG1-OD2 3.35Å; L303-D317 PolarHBondContact O-N 3.02Å; D317-S319 PolarHBondContact O-N 3.21Å; D317-V320 PolarHBondContact O-N 3.06Å; D317-L321 VanDerWaalsContact O-CB 3.3Å; D317-L321 WeakPolarHBondContact O-CB 3.5Å; D317-L321 PolarHBondContact O-N 3.11Å
318C94.3Very high91.1Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-55.4-36.8179.1-76.10000113.8I271 L303 V320 K322 G388I271-C318 VanDerWaalsContact CD1-SG 3.54Å; L303-C318 VanDerWaalsContact O-CB 3.31Å; L303-C318 WeakPolarHBondContact O-CB 3.34Å; L303-C318 PolarHBondContact O-N 2.95Å; L303-C318 PolarHBondContact O-SG 3.26Å; L303-C318 VanDerWaalsContact O-SG 3.32Å; C318-V320 VanDerWaalsContact C-N 3.35Å; C318-V320 PolarHBondContact O-N 3.37Å; C318-K322 WeakPolarHBondContact O-CA 3.08Å; C318-K322 PolarHBondContact O-N 2.82Å; C318-G388 WeakPolarHBondContact O-CA 3.07Å
319S93.7Very high91.3Very high25 Ų2537.3 Ų37.318%0.17520%0.197CC..Hα-helixtrans-69.7-29.8-173.6-67.80000113.5D305 G316 D317D305-S319 VanDerWaalsContact CG-OG 3.25Å; D305-S319 VanDerWaalsContact OD1-CB 3.27Å; D305-S319 WeakPolarHBondContact OD1-CB 3.21Å; D305-S319 PolarHBondContact OD1-OG 3.23Å; D305-S319 PolarHBondContact OD2-OG 3.42Å; G316-S319 PolarHBondContact O-N 3.44Å; D317-S319 PolarHBondContact O-N 3.21Å
320V95.8Very high91.2Very high28 Ų2833.7 Ų33.717%0.1718%0.184CC..Hα-helixtrans-97.7-44.7177.6-175.10000111.1R54 E77 Y78 K315 D317 C318 K322R54-V320 VanDerWaalsContact NH1-CB 3.34Å; E77-V320 WeakPolarHBondContact OE2-CG1 3.15Å; Y78-V320 HydrophobicContact CD2-CG1 4.35Å; K315-V320 HydrophobicContact CB-CG2 3.92Å; K315-V320 HydrophobicContact CD-CG2 3.89Å; D317-V320 PolarHBondContact O-N 3.06Å; C318-V320 VanDerWaalsContact C-N 3.35Å; C318-V320 PolarHBondContact O-N 3.37Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 3.25Å
321L96.9Very high90.8Very high2 Ų234.9 Ų34.91%0.0119%0.19CC..Hα-helixtrans-64.1-38-179.3-173.462.1000112.3Y78 W80 T269 I271 D317 P323 R390Y78-L321 HydrophobicContact CD2-CB 4.38Å; Y78-L321 HydrophobicContact CD2-CD1 4.24Å; Y78-L321 HydrophobicContact CE1-CD1 4.33Å; Y78-L321 HydrophobicContact CE2-CB 3.61Å; Y78-L321 HydrophobicContact CE2-CD1 4.02Å; Y78-L321 HydrophobicContact CE2-CG 4.3Å; Y78-L321 HydrophobicContact CG-CD1 4.49Å; W80-L321 HydrophobicContact CH2-CD1 3.68Å; W80-L321 HydrophobicContact CZ2-CD1 3.76Å; T269-L321 HydrophobicContact CG2-CD1 3.55Å; T269-L321 HydrophobicContact CG2-CD2 4.19Å; T269-L321 HydrophobicContact CG2-CG 3.64Å; I271-L321 HydrophobicContact CB-CD2 3.8Å; I271-L321 HydrophobicContact CD1-CD2 4.07Å; I271-L321 HydrophobicContact CG1-CD2 3.85Å; D317-L321 VanDerWaalsContact O-CB 3.3Å; D317-L321 WeakPolarHBondContact O-CB 3.5Å; D317-L321 PolarHBondContact O-N 3.11Å; L321-P323 HydrophobicContact CD2-CB 4.44Å; L321-R390 PolarHBondContact O-NH2 3.19Å
322K96.6Very high90.6Very high105 Ų10531.9 Ų31.946%0.45718%0.177SC..  trans50.364.6-173.6-56.6175.2-175.5165.90111.5C318 V320 G388 R390C318-K322 WeakPolarHBondContact O-CA 3.08Å; C318-K322 PolarHBondContact O-N 2.82Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 3.25Å; K322-G388 WeakPolarHBondContact CG-O 2.88Å; K322-R390 HydrophobicContact CB-CG 4.23Å; K322-R390 VanDerWaalsContact O-CZ 3.25Å; K322-R390 PolarHBondContact O-NE 2.92Å; K322-R390 PolarHBondContact O-NH2 2.99Å
323P97.4Very high90.7Very high0 Ų023.1 Ų23.10%014%0.139CC..  trans-63.9154.3-174.627.9-35.1000112.4T269 I271 L321 R390 V391T269-P323 CarbonylContact O-C 3.54Å; T269-P323 WeakPolarHBondContact O-CA 3.43Å; I271-P323 HydrophobicContact CB-CB 3.9Å; I271-P323 HydrophobicContact CB-CG 4.13Å; I271-P323 HydrophobicContact CD1-CG 4.35Å; I271-P323 HydrophobicContact CG2-CB 3.92Å; I271-P323 HydrophobicContact CG2-CG 3.99Å; L321-P323 HydrophobicContact CD2-CB 4.44Å; P323-R390 CarbonylContact O-C 3.58Å; P323-V391 HydrophobicContact CG-CG2 4.21Å; P323-V391 WeakPolarHBondContact O-CA 3.31Å; P323-V391 WeakPolarHBondContact O-CG2 3.48Å; P323-V391 PolarHBondContact O-N 2.88Å
324T97.7Very high90.7Very high12 Ų1219.5 Ų19.57%0.07410%0.099CC..SBendtrans-102.9-32.8171.461.70000111.3D268 T269 R390 V391 R392 M393D268-T324 VanDerWaalsContact CA-OG1 3.23Å; D268-T324 WeakPolarHBondContact CA-OG1 3.37Å; D268-T324 WeakPolarHBondContact CB-OG1 3.41Å; D268-T324 WeakPolarHBondContact OD1-CB 3.45Å; D268-T324 PolarHBondContact OD1-OG1 3.42Å; T269-T324 PolarHBondContact N-OG1 3.43Å; T269-T324 PolarHBondContact O-N 2.97Å; T269-T324 PolarHBondContact O-OG1 2.41Å; T324-R390 HydrophobicContact CG2-CB 4.24Å; T324-V391 WeakPolarHBondContact O-CA 3.37Å; T324-R392 WeakPolarHBondContact O-CG 3.4Å; T324-R392 PolarHBondContact O-N 3.49Å; T324-M393 PolarHBondContact O-N 2.8Å
325L97.3Very high90.3Very high10 Ų1022.6 Ų22.65%0.05211%0.106CC..EExtended strand (participates in β ladder)trans-120144.1-179.2-60179.6000110.6I261 L264 D268 T269 Y270 I271 R392 M393I261-L325 HydrophobicContact CG2-CD1 4.39Å; I261-L325 HydrophobicContact CG2-CD2 4.19Å; L264-L325 HydrophobicContact CD1-CD1 3.52Å; D268-L325 HydrophobicContact CB-CD1 3.81Å; D268-L325 HydrophobicContact CB-CG 4.16Å; T269-L325 PolarHBondContact O-N 3.48Å; Y270-L325 HydrophobicContact CD2-CB 3.94Å; I271-L325 PolarHBondContact N-O 2.81Å; L325-R392 HydrophobicContact CD2-CG 4.16Å; L325-M393 HydrophobicContact CD2-CB 3.93Å
326M95.3Very high90Very high5 Ų517.3 Ų17.33%0.0258%0.084CC..EExtended strand (participates in β ladder)trans-152.5121.3179.4-178.6178.9-179.500110.4I271 Y273 L303 A328 I332 I336 L387 M393 M394 L395I271-M326 HydrophobicContact CG2-CB 3.99Å; I271-M326 HydrophobicContact CG2-CG 3.83Å; I271-M326 HydrophobicContact CG2-SD 4.42Å; Y273-M326 HydrophobicContact CE1-CE 3.57Å; Y273-M326 HydrophobicContact CE1-CG 4.1Å; Y273-M326 WeakPolarHBondContact OH-CE 3.34Å; L303-M326 HydrophobicContact CD1-CE 4.46Å; L303-M326 HydrophobicContact CD2-CE 3.91Å; M326-A328 HydrophobicContact CE-CB 4.38Å; M326-I332 HydrophobicContact CE-CG2 4.27Å; M326-I336 HydrophobicContact CE-CD1 4.3Å; M326-L387 HydrophobicContact SD-CD1 4.32Å; M326-L387 HydrophobicContact SD-CD2 4.4Å; M326-M393 PolarHBondContact N-O 3.28Å; M326-M394 HydrophobicContact CB-CG 4.34Å; M326-M394 VanDerWaalsContact O-CA 3.28Å; M326-M394 WeakPolarHBondContact O-CA 3.41Å; M326-L395 PolarHBondContact O-N 3.44Å
327A94.3Very high89.7Confident4 Ų418.6 Ų18.63%0.0339%0.091CC..EExtended strand (participates in β ladder)trans-84.6144.9160.600000109.1Y270 Y273 L274 L395Y270-A327 HydrophobicContact CE2-CB 4.35Å; Y270-A327 WeakPolarHBondContact OH-CB 3.28Å; Y273-A327 WeakPolarHBondContact CE1-O 3.09Å; Y273-A327 PolarHBondContact OH-O 2.83Å; Y273-A327 VanDerWaalsContact OH-O 3.06Å; L274-A327 HydrophobicContact CD1-CB 4.04Å; A327-L395 CarbonylContact C-O 3.44Å; A327-L395 WeakPolarHBondContact CA-O 3.41Å
328A90.1Very high89Confident1 Ų121 Ų211%0.00810%0.101CC..EExtended strand (participates in β ladder)trans-146156.6178.800000111.6Y273 M326 M333 L395 S396 G397Y273-A328 WeakPolarHBondContact OH-CA 3.35Å; Y273-A328 WeakPolarHBondContact OH-CB 3.45Å; M326-A328 HydrophobicContact CE-CB 4.38Å; A328-M333 HydrophobicContact CB-CE 3.77Å; A328-M333 HydrophobicContact CB-CG 4.07Å; A328-L395 PolarHBondContact N-O 2.95Å; A328-S396 CarbonylContact O-C 3.3Å; A328-S396 VanDerWaalsContact O-CA 3.28Å; A328-S396 WeakPolarHBondContact O-CA 3.3Å; A328-G397 PolarHBondContact O-N 2.93Å
329V85.3Confident88.3Confident5 Ų523.8 Ų23.83%0.0312%0.116CC..  trans-96.4155166.9-62.30000109.7L274 E331 I332 M333 A642L274-V329 HydrophobicContact CD2-CG1 4.12Å; L274-V329 HydrophobicContact CD2-CG2 4.45Å; V329-E331 PolarHBondContact O-N 3.46Å; V329-E331 VanDerWaalsContact O-N 3.12Å; V329-I332 HydrophobicContact CG2-CB 4.29Å; V329-I332 HydrophobicContact CG2-CG1 3.66Å; V329-I332 PolarHBondContact O-N 3.29Å; V329-M333 PolarHBondContact O-N 3.24Å; V329-A642 HydrophobicContact CG1-CB 4.47Å
330P80.9Confident87.8Confident10 Ų1022.8 Ų22.87%0.06511%0.109CC..Hα-helixtrans-52.7-37.7-178.1-28.733.7000114.3I332 M333 D334 A399 L401P330-I332 VanDerWaalsContact C-N 3.29Å; P330-I332 PolarHBondContact O-N 3.44Å; P330-M333 PolarHBondContact O-N 3.49Å; P330-M333 VanDerWaalsContact O-N 3.13Å; P330-D334 PolarHBondContact O-N 3.21Å; P330-A399 HydrophobicContact CG-CB 3.85Å; P330-A399 WeakPolarHBondContact CG-O 3.13Å; P330-L401 HydrophobicContact CB-CB 4.38Å; P330-L401 HydrophobicContact CB-CD1 3.95Å; P330-L401 HydrophobicContact CG-CB 4.19Å
331E76.7Confident87.2Confident30 Ų3024.8 Ų24.814%0.1412%0.117CC..Hα-helixtrans-61.3-37.7179.3-176.5168.5143.700112.8V329 R335 F643V329-E331 PolarHBondContact O-N 3.46Å; V329-E331 VanDerWaalsContact O-N 3.12Å; E331-R335 WeakPolarHBondContact O-CB 3.39Å; E331-R335 PolarHBondContact O-N 2.96Å; E331-R335 IonicContact OE1-NH2 2.73Å; E331-R335 PolarHBondContact OE1-NH2 2.93Å; E331-F643 HydrophobicContact CB-CB 4.07Å; E331-F643 VanDerWaalsContact CD-CD1 3.48Å; E331-F643 HydrophobicContact CG-CB 4.34Å; E331-F643 WeakPolarHBondContact OE1-CD1 3.38Å; E331-F643 WeakPolarHBondContact OE2-CB 3.29Å
332I82.2Confident86.4Confident4 Ų427.4 Ų27.42%0.02114%0.136CC..Hα-helixtrans-70-39.8177-61.6-65.4000110.1Y273 P300 L303 M326 V329 P330 R335 I336Y273-I332 HydrophobicContact CE2-CD1 4.5Å; Y273-I332 HydrophobicContact CE2-CG1 4.16Å; Y273-I332 HydrophobicContact CE2-CG2 4.33Å; P300-I332 HydrophobicContact CB-CD1 4.33Å; L303-I332 HydrophobicContact CD2-CG2 4.18Å; M326-I332 HydrophobicContact CE-CG2 4.27Å; V329-I332 HydrophobicContact CG2-CB 4.29Å; V329-I332 HydrophobicContact CG2-CG1 3.66Å; V329-I332 PolarHBondContact O-N 3.29Å; P330-I332 VanDerWaalsContact C-N 3.29Å; P330-I332 PolarHBondContact O-N 3.44Å; I332-R335 PolarHBondContact O-N 2.91Å; I332-I336 HydrophobicContact CG2-CD1 4Å; I332-I336 VanDerWaalsContact O-CG1 3.28Å; I332-I336 WeakPolarHBondContact O-CG1 3.46Å; I332-I336 PolarHBondContact O-N 3.11Å
333M85.6Confident85.6Confident0 Ų025.7 Ų25.70%013%0.128CC..Hα-helixtrans-63.6-43.1175.3-64.9-158.7177.700112.3A328 V329 P330 R335 I336 N337 M394 S396 L401 T405 M409 V417A328-M333 HydrophobicContact CB-CE 3.77Å; A328-M333 HydrophobicContact CB-CG 4.07Å; V329-M333 PolarHBondContact O-N 3.24Å; P330-M333 PolarHBondContact O-N 3.49Å; P330-M333 VanDerWaalsContact O-N 3.13Å; M333-R335 VanDerWaalsContact C-N 3.33Å; M333-R335 PolarHBondContact O-N 2.93Å; M333-I336 PolarHBondContact O-N 3.37Å; M333-N337 WeakPolarHBondContact O-CB 3.14Å; M333-N337 PolarHBondContact O-N 2.96Å; M333-M394 HydrophobicContact CE-CB 4.31Å; M333-S396 VanDerWaalsContact CE-CB 3.47Å; M333-L401 HydrophobicContact CB-CD1 4.13Å; M333-L401 HydrophobicContact SD-CD1 4.16Å; M333-L401 HydrophobicContact SD-CD2 3.57Å; M333-L401 VanDerWaalsContact SD-CD2 3.57Å; M333-T405 HydrophobicContact CB-CG2 4.09Å; M333-M409 HydrophobicContact CB-CE 4.49Å; M333-M409 HydrophobicContact CG-CE 4.42Å; M333-V417 HydrophobicContact CE-CG1 3.72Å; M333-V417 HydrophobicContact SD-CG1 3.88Å
334D79.6Confident84.8Confident11 Ų1125.9 Ų25.96%0.05913%0.13CC..Hα-helixtrans-63.4-39.9175.9-73.5-28.9000111.4P330 N337 K338 T405P330-D334 PolarHBondContact O-N 3.21Å; D334-N337 PolarHBondContact O-N 2.91Å; D334-K338 WeakPolarHBondContact O-CB 3.48Å; D334-K338 VanDerWaalsContact O-CG 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.26Å; D334-K338 PolarHBondContact O-N 2.95Å; D334-T405 WeakPolarHBondContact OD1-CB 3.3Å; D334-T405 VanDerWaalsContact OD1-CG2 3.3Å; D334-T405 WeakPolarHBondContact OD1-CG2 3.17Å; D334-T405 PolarHBondContact OD1-OG1 3.47Å
335R80.4Confident84Confident93 Ų9330.4 Ų30.435%0.35115%0.15SC..Hα-helixtrans-61.7-44.8174.2-171-176.9-60.3175.22.3111.6E331 I332 M333 K338 N339E331-R335 WeakPolarHBondContact O-CB 3.39Å; E331-R335 PolarHBondContact O-N 2.96Å; E331-R335 IonicContact OE1-NH2 2.73Å; E331-R335 PolarHBondContact OE1-NH2 2.93Å; I332-R335 PolarHBondContact O-N 2.91Å; M333-R335 VanDerWaalsContact C-N 3.33Å; M333-R335 PolarHBondContact O-N 2.93Å; R335-K338 PolarHBondContact O-N 3Å; R335-N339 WeakPolarHBondContact O-CB 3.28Å; R335-N339 VanDerWaalsContact O-CG 3.24Å; R335-N339 PolarHBondContact O-N 3.11Å; R335-N339 PolarHBondContact O-ND2 3.5Å
336I84.1Confident83.2Confident17 Ų1737 Ų379%0.08718%0.18CC..Hα-helixtrans-60.8-47.6175.6-67.5162.4000110.1M326 I332 M333 K338 N339 V340 L387 M409 F413M326-I336 HydrophobicContact CE-CD1 4.3Å; I332-I336 HydrophobicContact CG2-CD1 4Å; I332-I336 VanDerWaalsContact O-CG1 3.28Å; I332-I336 WeakPolarHBondContact O-CG1 3.46Å; I332-I336 PolarHBondContact O-N 3.11Å; M333-I336 PolarHBondContact O-N 3.37Å; I336-K338 PolarHBondContact O-N 3.48Å; I336-N339 PolarHBondContact O-N 3.07Å; I336-V340 HydrophobicContact CG2-CG2 4.41Å; I336-V340 WeakPolarHBondContact O-CG2 3.35Å; I336-V340 PolarHBondContact O-N 3.44Å; I336-L387 HydrophobicContact CD1-CD1 4.37Å; I336-L387 HydrophobicContact CD1-CD2 4.07Å; I336-M409 HydrophobicContact CB-CE 4.26Å; I336-M409 HydrophobicContact CB-SD 4.44Å; I336-M409 HydrophobicContact CD1-CE 4.23Å; I336-M409 HydrophobicContact CG2-CE 3.93Å; I336-M409 HydrophobicContact CG2-SD 4.05Å; I336-F413 HydrophobicContact CG2-CE2 3.63Å; I336-F413 HydrophobicContact CG2-CZ 3.41Å; I336-F413 VanDerWaalsContact CG2-CZ 3.41Å
337N84.5Confident82.7Confident27 Ų2740 Ų4014%0.14420%0.195CC..Hα-helixtrans-56.4-50.4177.5-176.3-0.6000111.4M333 D334 N339 V340 M341 T405 F408M333-N337 WeakPolarHBondContact O-CB 3.14Å; M333-N337 PolarHBondContact O-N 2.96Å; D334-N337 PolarHBondContact O-N 2.91Å; N337-N339 VanDerWaalsContact C-N 3.34Å; N337-N339 PolarHBondContact O-N 2.85Å; N337-V340 PolarHBondContact O-N 3Å; N337-M341 WeakPolarHBondContact O-CB 3.31Å; N337-M341 WeakPolarHBondContact O-CG 3.3Å; N337-M341 PolarHBondContact O-N 3.33Å; N337-M341 WeakPolarHBondContact OD1-CG 3.03Å; N337-T405 HydrophobicContact CB-CG2 4.4Å; N337-F408 HydrophobicContact CB-CD1 3.99Å; N337-F408 HydrophobicContact CB-CE1 4.05Å; N337-F408 VanDerWaalsContact CG-CD1 3.44Å; N337-F408 VanDerWaalsContact OD1-CD1 3.29Å; N337-F408 WeakPolarHBondContact OD1-CD1 3.49Å; N337-F408 WeakPolarHBondContact OD1-CE1 3.46Å; N337-F408 WeakPolarHBondContact OD1-CZ 3.45Å
338K80.3Confident82.4Confident51 Ų5142.6 Ų42.622%0.22221%0.213CC..Hα-helixtrans-58.2-43.1176.7-73.1173.5-177.6-178.40112.4D334 R335 I336 M341 S342 I552 D553D334-K338 WeakPolarHBondContact O-CB 3.48Å; D334-K338 VanDerWaalsContact O-CG 3.31Å; D334-K338 WeakPolarHBondContact O-CG 3.26Å; D334-K338 PolarHBondContact O-N 2.95Å; R335-K338 PolarHBondContact O-N 3Å; I336-K338 PolarHBondContact O-N 3.48Å; K338-M341 PolarHBondContact O-N 3.22Å; K338-S342 WeakPolarHBondContact O-CB 3.34Å; K338-S342 PolarHBondContact O-N 3.39Å; K338-I552 PolarHBondContact NZ-O 3.5Å; K338-D553 PolarHBondContact NZ-O 3.43Å; K338-D553 IonicContact NZ-OD1 3.74Å
339N79.8Confident82.3Confident60 Ų6051.6 Ų51.632%0.32125%0.248SC..Hα-helixtrans-63.8-42.4177.8-73.4-14000112R335 I336 N337 K343R335-N339 WeakPolarHBondContact O-CB 3.28Å; R335-N339 VanDerWaalsContact O-CG 3.24Å; R335-N339 PolarHBondContact O-N 3.11Å; R335-N339 PolarHBondContact O-ND2 3.5Å; I336-N339 PolarHBondContact O-N 3.07Å; N337-N339 VanDerWaalsContact C-N 3.34Å; N337-N339 PolarHBondContact O-N 2.85Å; N339-K343 PolarHBondContact O-N 2.93Å
340V83.2Confident82.3Confident3 Ų358 Ų582%0.01828%0.282CS..Hα-helixtrans-62.4-48.4174.8176.60000110.3I336 N337 S342 K343 V344 V383 L386 F408 F413I336-V340 HydrophobicContact CG2-CG2 4.41Å; I336-V340 WeakPolarHBondContact O-CG2 3.35Å; I336-V340 PolarHBondContact O-N 3.44Å; N337-V340 PolarHBondContact O-N 3Å; V340-S342 VanDerWaalsContact C-N 3.34Å; V340-S342 PolarHBondContact O-N 3.09Å; V340-K343 PolarHBondContact O-N 3.25Å; V340-V344 HydrophobicContact CG1-CG2 4.41Å; V340-V344 WeakPolarHBondContact O-CG2 3.38Å; V340-V344 PolarHBondContact O-N 3.09Å; V340-V383 HydrophobicContact CG1-CG1 3.94Å; V340-V383 HydrophobicContact CG1-CG2 4.19Å; V340-V383 HydrophobicContact CG2-CG1 3.8Å; V340-L386 HydrophobicContact CG2-CD1 3.56Å; V340-F408 HydrophobicContact CB-CE1 4.22Å; V340-F408 HydrophobicContact CB-CZ 4.04Å; V340-F408 HydrophobicContact CG1-CE1 4.26Å; V340-F408 HydrophobicContact CG1-CZ 3.72Å; V340-F413 HydrophobicContact CG2-CZ 4.25Å
341M82.8Confident82.5Confident71 Ų7162.2 Ų62.235%0.3530%0.3SS..Hα-helixtrans-63.7-38.2-178.8-70.3-59.3-71.500112.2N337 K338 K343 V344 Q345 F408N337-M341 WeakPolarHBondContact O-CB 3.31Å; N337-M341 WeakPolarHBondContact O-CG 3.3Å; N337-M341 PolarHBondContact O-N 3.33Å; N337-M341 WeakPolarHBondContact OD1-CG 3.03Å; K338-M341 PolarHBondContact O-N 3.22Å; M341-K343 PolarHBondContact O-N 3.29Å; M341-V344 PolarHBondContact O-N 2.89Å; M341-Q345 WeakPolarHBondContact O-CG 3.5Å; M341-Q345 PolarHBondContact O-N 3.35Å; M341-F408 HydrophobicContact CG-CE2 4.27Å; M341-F408 HydrophobicContact CG-CZ 4.13Å; M341-F408 HydrophobicContact SD-CE2 3.65Å; M341-F408 HydrophobicContact SD-CZ 3.96Å
342S81Confident83Confident57 Ų5764.2 Ų64.240%0.39931%0.309SS..Hα-helixtrans-57.8-48.9172.7-167.30000111.2K338 V340 V344 Q345 E346K338-S342 WeakPolarHBondContact O-CB 3.34Å; K338-S342 PolarHBondContact O-N 3.39Å; V340-S342 VanDerWaalsContact C-N 3.34Å; V340-S342 PolarHBondContact O-N 3.09Å; S342-V344 VanDerWaalsContact C-N 3.27Å; S342-V344 PolarHBondContact O-N 3.05Å; S342-Q345 WeakPolarHBondContact O-CB 3.5Å; S342-Q345 PolarHBondContact O-N 3.02Å; S342-E346 WeakPolarHBondContact O-CG 3.4Å; S342-E346 PolarHBondContact O-N 2.95Å; S342-E346 VanDerWaalsContact O-N 3.07Å; S342-E346 PolarHBondContact OG-OE1 3.36Å
343K79.1Confident83.2Confident69 Ų6966.5 Ų66.530%0.332%0.323SS..Hα-helixtrans-60.5-37.4176.8-72.5-170.7178-170.50112.3N339 V340 M341 Q345 E346 M347 L386N339-K343 PolarHBondContact O-N 2.93Å; V340-K343 PolarHBondContact O-N 3.25Å; M341-K343 PolarHBondContact O-N 3.29Å; K343-Q345 VanDerWaalsContact C-N 3.33Å; K343-E346 PolarHBondContact O-N 3.18Å; K343-M347 WeakPolarHBondContact O-CG 3.43Å; K343-M347 PolarHBondContact O-N 3.46Å; K343-L386 HydrophobicContact CD-CD2 4.36Å; K343-L386 VanDerWaalsContact NZ-CD2 3.29Å
344V81.6Confident83.3Confident4 Ų471.2 Ų71.22%0.02435%0.347CS..Hα-helixtrans-67.6-33.7176.2172.90000111.7V340 M341 S342 E346 M347 K352 F355V340-V344 HydrophobicContact CG1-CG2 4.41Å; V340-V344 WeakPolarHBondContact O-CG2 3.38Å; V340-V344 PolarHBondContact O-N 3.09Å; M341-V344 PolarHBondContact O-N 2.89Å; S342-V344 VanDerWaalsContact C-N 3.27Å; S342-V344 PolarHBondContact O-N 3.05Å; V344-E346 VanDerWaalsContact C-N 3.34Å; V344-M347 HydrophobicContact CG2-CE 4.2Å; V344-M347 HydrophobicContact CG2-SD 4.49Å; V344-M347 WeakPolarHBondContact O-CB 3.16Å; V344-M347 PolarHBondContact O-N 3.3Å; V344-K352 HydrophobicContact CG1-CG 4.26Å; V344-F355 HydrophobicContact CG1-CB 4.49Å; V344-F355 HydrophobicContact CG1-CD1 3.75Å; V344-F355 HydrophobicContact CG1-CE1 4.22Å; V344-F355 HydrophobicContact CG1-CG 4.15Å; V344-F355 HydrophobicContact CG2-CD1 3.95Å; V344-F355 HydrophobicContact CG2-CD2 4.12Å; V344-F355 HydrophobicContact CG2-CE1 3.83Å; V344-F355 HydrophobicContact CG2-CE2 4Å; V344-F355 HydrophobicContact CG2-CG 4.1Å; V344-F355 HydrophobicContact CG2-CZ 3.85Å
345Q80Confident83.7Confident106 Ų10671.3 Ų71.350%0.49535%0.348SS..Hα-helixtrans-71-29.9175-65.6-59.5-24.600112.8M341 S342 K343 M347M341-Q345 WeakPolarHBondContact O-CG 3.5Å; M341-Q345 PolarHBondContact O-N 3.35Å; S342-Q345 WeakPolarHBondContact O-CB 3.5Å; S342-Q345 PolarHBondContact O-N 3.02Å; K343-Q345 VanDerWaalsContact C-N 3.33Å; Q345-M347 PolarHBondContact O-N 3.3Å
346E81.8Confident84.1Confident149 Ų14969.8 Ų69.870%0.69635%0.349SS*.THydrogen-bonded Turntrans-74.5-11.9175.1-68.1164.3-156.800113.1S342 K343 V344S342-E346 WeakPolarHBondContact O-CG 3.4Å; S342-E346 PolarHBondContact O-N 2.95Å; S342-E346 VanDerWaalsContact O-N 3.07Å; S342-E346 PolarHBondContact OG-OE1 3.36Å; K343-E346 PolarHBondContact O-N 3.18Å; V344-E346 VanDerWaalsContact C-N 3.34Å
347M83.7Confident84.3Confident67 Ų6774.1 Ų74.133%0.3337%0.371SS..SBendtrans-75.2159.1178.7-68.8177.1-165.500112.7K343 V344 Q345 Q351K343-M347 WeakPolarHBondContact O-CG 3.43Å; K343-M347 PolarHBondContact O-N 3.46Å; V344-M347 HydrophobicContact CG2-CE 4.2Å; V344-M347 HydrophobicContact CG2-SD 4.49Å; V344-M347 WeakPolarHBondContact O-CB 3.16Å; V344-M347 PolarHBondContact O-N 3.3Å; Q345-M347 PolarHBondContact O-N 3.3Å; M347-Q351 HydrophobicContact CB-CB 3.83Å; M347-Q351 HydrophobicContact CG-CB 4.41Å; M347-Q351 HydrophobicContact SD-CB 4.32Å
348S87.2Confident84.5Confident60 Ų6073.1 Ų73.142%0.4237%0.367SS..  trans-63.5157174.373.80000111.9L350 Q351 K352S348-L350 PolarHBondContact O-N 2.8Å; S348-L350 VanDerWaalsContact O-N 3.16Å; S348-Q351 WeakPolarHBondContact O-CB 3.26Å; S348-Q351 PolarHBondContact O-N 3.36Å; S348-Q351 WeakPolarHBondContact OG-CG 3.41Å; S348-Q351 PolarHBondContact OG-OE1 2.96Å; S348-K352 PolarHBondContact O-N 3.26Å
349Y88.2Confident85Confident190 Ų19072.9 Ų72.975%0.74537%0.365SS*.Hα-helixtrans-52.4-41.9-178.6-179.5-96.7000112.9T353Y349-T353 WeakPolarHBondContact O-CB 3.33Å; Y349-T353 PolarHBondContact O-N 3.19Å; Y349-T353 PolarHBondContact O-OG1 3.28Å
350L86.3Confident85.4Confident139 Ų13976.7 Ų76.773%0.72838%0.379SS*.Hα-helixtrans-63.9-46.2176.9-71.1169.6000111.9S348 T353 L354S348-L350 PolarHBondContact O-N 2.8Å; S348-L350 VanDerWaalsContact O-N 3.16Å; L350-T353 PolarHBondContact O-N 2.95Å; L350-L354 WeakPolarHBondContact O-CB 3.38Å; L350-L354 PolarHBondContact O-N 3.22Å
351Q84.9Confident85.8Confident98 Ų9882.3 Ų82.346%0.45840%0.401SS..Hα-helixtrans-64.8-42179-73.3173.2-18.800112M347 S348 L354 F355M347-Q351 HydrophobicContact CB-CB 3.83Å; M347-Q351 HydrophobicContact CG-CB 4.41Å; M347-Q351 HydrophobicContact SD-CB 4.32Å; S348-Q351 WeakPolarHBondContact O-CB 3.26Å; S348-Q351 PolarHBondContact O-N 3.36Å; S348-Q351 WeakPolarHBondContact OG-CG 3.41Å; S348-Q351 PolarHBondContact OG-OE1 2.96Å; Q351-L354 PolarHBondContact O-N 3.49Å; Q351-F355 WeakPolarHBondContact O-CB 3.43Å; Q351-F355 PolarHBondContact O-N 3.06Å
352K86.1Confident86Confident73 Ų7379 Ų7932%0.31739%0.385SS..Hα-helixtrans-64.2-40.5176.2-178.3176.2171.6-1760112V344 S348 F355 T356V344-K352 HydrophobicContact CG1-CG 4.26Å; S348-K352 PolarHBondContact O-N 3.26Å; K352-F355 PolarHBondContact O-N 3.37Å; K352-T356 WeakPolarHBondContact O-CB 3.25Å; K352-T356 PolarHBondContact O-N 2.95Å; K352-T356 PolarHBondContact O-OG1 3.35Å
353T87.3Confident86.4Confident52 Ų5277.7 Ų77.732%0.31937%0.373SS..Hα-helixtrans-64.5-46175.7-58.80000110.7Y349 L350 F355 T356 L357Y349-T353 WeakPolarHBondContact O-CB 3.33Å; Y349-T353 PolarHBondContact O-N 3.19Å; Y349-T353 PolarHBondContact O-OG1 3.28Å; L350-T353 PolarHBondContact O-N 2.95Å; T353-F355 PolarHBondContact O-N 3.08Å; T353-T356 PolarHBondContact O-N 3.4Å; T353-L357 HydrophobicContact CG2-CD1 4.03Å; T353-L357 HydrophobicContact CG2-CG 4.48Å; T353-L357 WeakPolarHBondContact O-CB 3.45Å; T353-L357 WeakPolarHBondContact O-CG 3.42Å; T353-L357 PolarHBondContact O-N 3.32Å
354L87.7Confident86.8Confident98 Ų9878 Ų7851%0.51338%0.375SS..Hα-helixtrans-61.9-41.7176.9-173.566.6000112.1L350 Q351 L357 G358 L379L350-L354 WeakPolarHBondContact O-CB 3.38Å; L350-L354 PolarHBondContact O-N 3.22Å; Q351-L354 PolarHBondContact O-N 3.49Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-G358 PolarHBondContact O-N 3.09Å; L354-L379 HydrophobicContact CD2-CD2 3.67Å; L354-L379 HydrophobicContact CG-CD1 4.47Å; L354-L379 HydrophobicContact CG-CD2 3.74Å
355F88.4Confident87Confident14 Ų1479.4 Ų79.46%0.06138%0.382CS..Hα-helixtrans-61-45.7174.2-177.4-90.9000111.4V344 Q351 K352 T353 G358 Y359 F380 V383V344-F355 HydrophobicContact CG1-CB 4.49Å; V344-F355 HydrophobicContact CG1-CD1 3.75Å; V344-F355 HydrophobicContact CG1-CE1 4.22Å; V344-F355 HydrophobicContact CG1-CG 4.15Å; V344-F355 HydrophobicContact CG2-CD1 3.95Å; V344-F355 HydrophobicContact CG2-CD2 4.12Å; V344-F355 HydrophobicContact CG2-CE1 3.83Å; V344-F355 HydrophobicContact CG2-CE2 4Å; V344-F355 HydrophobicContact CG2-CG 4.1Å; V344-F355 HydrophobicContact CG2-CZ 3.85Å; Q351-F355 WeakPolarHBondContact O-CB 3.43Å; Q351-F355 PolarHBondContact O-N 3.06Å; K352-F355 PolarHBondContact O-N 3.37Å; T353-F355 PolarHBondContact O-N 3.08Å; F355-G358 PolarHBondContact O-N 3.05Å; F355-Y359 VanDerWaalsContact O-CB 3.31Å; F355-Y359 WeakPolarHBondContact O-CB 3.25Å; F355-Y359 PolarHBondContact O-N 2.73Å; F355-F380 HydrophobicContact CE2-CD1 4.29Å; F355-F380 AromaticContact CE2-CE1 3.87Å; F355-F380 HydrophobicContact CE2-CE1 3.87Å; F355-F380 HydrophobicContact CZ-CE1 4.19Å; F355-V383 HydrophobicContact CE2-CG2 4.19Å
356T87.5Confident87.2Confident61 Ų6175.9 Ų75.937%0.37437%0.367SS..Hα-helixtrans-64.2-43.5-180-55.90000111.7K352 T353 K360K352-T356 WeakPolarHBondContact O-CB 3.25Å; K352-T356 PolarHBondContact O-N 2.95Å; K352-T356 PolarHBondContact O-OG1 3.35Å; T353-T356 PolarHBondContact O-N 3.4Å; T356-K360 WeakPolarHBondContact O-CG 3.3Å; T356-K360 PolarHBondContact O-N 3.27Å
357L89.1Confident87.2Confident107 Ų10774.3 Ų74.356%0.5636%0.358SS*.Hα-helixtrans-64.6-46175.5-72.5171.7000111.3T353 L354 Y359 K360 Y361T353-L357 HydrophobicContact CG2-CD1 4.03Å; T353-L357 HydrophobicContact CG2-CG 4.48Å; T353-L357 WeakPolarHBondContact O-CB 3.45Å; T353-L357 WeakPolarHBondContact O-CG 3.42Å; T353-L357 PolarHBondContact O-N 3.32Å; L354-L357 PolarHBondContact O-N 2.84Å; L357-Y359 VanDerWaalsContact C-N 3.35Å; L357-Y359 PolarHBondContact O-N 2.86Å; L357-K360 PolarHBondContact O-N 3.05Å; L357-Y361 WeakPolarHBondContact O-CB 3.41Å; L357-Y361 PolarHBondContact O-N 3.37Å
358G89.5Confident87.1Confident6 Ų678.6 Ų78.66%0.06237%0.371CS..Hα-helixtrans-62.2-39.6177.500000113.1L354 F355 K362L354-G358 PolarHBondContact O-N 3.09Å; F355-G358 PolarHBondContact O-N 3.05Å; G358-K362 VanDerWaalsContact O-CB 3.3Å; G358-K362 WeakPolarHBondContact O-CB 3.45Å; G358-K362 PolarHBondContact O-N 3.16Å
359Y89.6Confident86.7Confident47 Ų4778.8 Ų78.818%0.18438%0.382CS..Hα-helixtrans-62.3-49.2173.5-179.3-88.5000111.7F355 L357 Y361 K362 L363 F408 V411F355-Y359 VanDerWaalsContact O-CB 3.31Å; F355-Y359 WeakPolarHBondContact O-CB 3.25Å; F355-Y359 PolarHBondContact O-N 2.73Å; L357-Y359 VanDerWaalsContact C-N 3.35Å; L357-Y359 PolarHBondContact O-N 2.86Å; Y359-Y361 PolarHBondContact O-N 3.29Å; Y359-K362 PolarHBondContact O-N 2.94Å; Y359-L363 HydrophobicContact CE1-CD2 4.22Å; Y359-L363 VanDerWaalsContact O-CB 3.28Å; Y359-L363 WeakPolarHBondContact O-CB 3.35Å; Y359-L363 PolarHBondContact O-N 3.34Å; Y359-F408 AromaticContact CE2-CD2 3.8Å; Y359-F408 HydrophobicContact CE2-CD2 3.8Å; Y359-F408 HydrophobicContact CE2-CE2 4.4Å; Y359-V411 HydrophobicContact CD2-CB 4.18Å; Y359-V411 HydrophobicContact CD2-CG1 3.49Å; Y359-V411 VanDerWaalsContact CD2-CG1 3.49Å; Y359-V411 HydrophobicContact CE2-CB 3.75Å; Y359-V411 HydrophobicContact CE2-CG1 3.6Å; Y359-V411 HydrophobicContact CE2-CG2 4.36Å; Y359-V411 HydrophobicContact CG-CG1 4.26Å
360K89.6Confident86.3Confident139 Ų13975.2 Ų75.260%0.60437%0.372SS*.Hα-helixtrans-61-45.3177.7-75.1-178.8179.3-177.20111.8T356 L357 L363 E364T356-K360 WeakPolarHBondContact O-CG 3.3Å; T356-K360 PolarHBondContact O-N 3.27Å; L357-K360 PolarHBondContact O-N 3.05Å; K360-L363 PolarHBondContact O-N 3.09Å; K360-E364 PolarHBondContact O-N 2.97Å
361Y90.2Very high86Confident121 Ų12173.2 Ų73.248%0.47536%0.362SS..Hα-helixtrans-60.2-50.6177.2173-98.9000111.5L357 Y359 L363 E364 Q365 A372 C375L357-Y361 WeakPolarHBondContact O-CB 3.41Å; L357-Y361 PolarHBondContact O-N 3.37Å; Y359-Y361 PolarHBondContact O-N 3.29Å; Y361-L363 VanDerWaalsContact C-N 3.35Å; Y361-L363 PolarHBondContact O-N 3.48Å; Y361-E364 PolarHBondContact O-N 2.7Å; Y361-Q365 HydrophobicContact CD1-CG 4.36Å; Y361-Q365 HydrophobicContact CE1-CG 3.9Å; Y361-Q365 HydrophobicContact CE2-CG 4.14Å; Y361-Q365 WeakPolarHBondContact O-CG 3.36Å; Y361-Q365 PolarHBondContact O-N 2.9Å; Y361-A372 HydrophobicContact CD1-CB 4.25Å; Y361-A372 HydrophobicContact CE1-CB 3.86Å; Y361-C375 WeakPolarHBondContact CD1-SG 3.47Å
362K88.2Confident86Confident3 Ų368.7 Ų68.71%0.01334%0.341CS..Hα-helixtrans-63-42.1179.8-178.2170.3177.8-178.50111.8G358 Y359 E364 Q365 V366 A372 N376 F380 V411 C414G358-K362 VanDerWaalsContact O-CB 3.3Å; G358-K362 WeakPolarHBondContact O-CB 3.45Å; G358-K362 PolarHBondContact O-N 3.16Å; Y359-K362 PolarHBondContact O-N 2.94Å; K362-E364 VanDerWaalsContact C-N 3.26Å; K362-E364 PolarHBondContact O-N 3.14Å; K362-Q365 PolarHBondContact O-N 3.47Å; K362-V366 HydrophobicContact CG-CG2 4.21Å; K362-V366 VanDerWaalsContact O-CG2 3.31Å; K362-V366 WeakPolarHBondContact O-CG2 3.48Å; K362-V366 PolarHBondContact O-N 2.95Å; K362-A372 HydrophobicContact CB-CB 4.2Å; K362-A372 HydrophobicContact CD-CB 4.48Å; K362-A372 HydrophobicContact CG-CB 4.04Å; K362-N376 WeakPolarHBondContact CD-OD1 3.14Å; K362-N376 VanDerWaalsContact CE-OD1 3.23Å; K362-N376 WeakPolarHBondContact CE-OD1 3.17Å; K362-N376 PolarHBondContact NZ-OD1 3.48Å; K362-F380 HydrophobicContact CB-CE2 4.14Å; K362-F380 HydrophobicContact CD-CD2 3.87Å; K362-F380 HydrophobicContact CD-CE2 3.57Å; K362-F380 HydrophobicContact CD-CZ 4.33Å; K362-F380 HydrophobicContact CG-CE2 4.48Å; K362-V411 HydrophobicContact CB-CG1 4.05Å; K362-V411 HydrophobicContact CD-CG1 3.85Å; K362-V411 WeakPolarHBondContact CD-O 3.27Å; K362-V411 VanDerWaalsContact CE-O 3.3Å; K362-V411 WeakPolarHBondContact CE-O 3.32Å; K362-V411 HydrophobicContact CG-CG1 3.93Å; K362-V411 PolarHBondContact NZ-O 2.82Å; K362-C414 VanDerWaalsContact NZ-CB 3.33Å; K362-C414 PolarHBondContact NZ-SG 3.34Å
363L87.8Confident85.9Confident29 Ų2969.5 Ų69.515%0.15235%0.354CS..Hα-helixtrans-58.8-40.7176.2176.459.6000111.7Y359 K360 Y361 K367 R407 V411Y359-L363 HydrophobicContact CE1-CD2 4.22Å; Y359-L363 VanDerWaalsContact O-CB 3.28Å; Y359-L363 WeakPolarHBondContact O-CB 3.35Å; Y359-L363 PolarHBondContact O-N 3.34Å; K360-L363 PolarHBondContact O-N 3.09Å; Y361-L363 VanDerWaalsContact C-N 3.35Å; Y361-L363 PolarHBondContact O-N 3.48Å; L363-K367 VanDerWaalsContact O-CG 3.3Å; L363-K367 WeakPolarHBondContact O-CG 3.41Å; L363-K367 PolarHBondContact O-N 3.35Å; L363-R407 HydrophobicContact CD1-CG 3.7Å; L363-V411 HydrophobicContact CB-CG2 4.31Å; L363-V411 HydrophobicContact CD1-CG2 4.13Å
364E88.1Confident85.7Confident75 Ų7573.4 Ų73.435%0.3537%0.372SS..Hα-helixtrans-67.4-39.2176.8-173.760.7-162.400112.4K360 Y361 K362 K367 R368K360-E364 PolarHBondContact O-N 2.97Å; Y361-E364 PolarHBondContact O-N 2.7Å; K362-E364 VanDerWaalsContact C-N 3.26Å; K362-E364 PolarHBondContact O-N 3.14Å; E364-K367 PolarHBondContact O-N 3.49Å; E364-R368 WeakPolarHBondContact O-CG 3.48Å; E364-R368 PolarHBondContact O-N 3.04Å; E364-R368 IonicContact OE1-CZ 3.8Å; E364-R368 IonicContact OE1-NE 3.79Å; E364-R368 PolarHBondContact OE1-NE 3.05Å; E364-R368 VanDerWaalsContact OE1-NE 3.09Å; E364-R368 IonicContact OE1-NH2 3.78Å; E364-R368 PolarHBondContact OE1-NH2 2.88Å
365Q86.9Confident85.5Confident34 Ų3469.8 Ų69.816%0.15936%0.355CS..Hα-helixtrans-64.5-45.9174.2-66.4-54.7-44.600111.9Y361 K362 K367 R368 G369 H370 A372Y361-Q365 HydrophobicContact CD1-CG 4.36Å; Y361-Q365 HydrophobicContact CE1-CG 3.9Å; Y361-Q365 HydrophobicContact CE2-CG 4.14Å; Y361-Q365 WeakPolarHBondContact O-CG 3.36Å; Y361-Q365 PolarHBondContact O-N 2.9Å; K362-Q365 PolarHBondContact O-N 3.47Å; Q365-K367 VanDerWaalsContact C-N 3.3Å; Q365-K367 PolarHBondContact O-N 2.91Å; Q365-R368 CarbonylContact O-C 3.54Å; Q365-R368 WeakPolarHBondContact O-CA 3.2Å; Q365-R368 WeakPolarHBondContact O-CB 3.22Å; Q365-R368 PolarHBondContact O-N 2.9Å; Q365-G369 PolarHBondContact O-N 2.68Å; Q365-H370 CarbonylContact C-O 3.59Å; Q365-H370 HydrophobicContact CB-CB 4.37Å; Q365-H370 PolarHBondContact O-N 3.19Å; Q365-A372 HydrophobicContact CG-CB 4.49Å
366V83.4Confident85.3Confident32 Ų3270.1 Ų70.119%0.19436%0.358CS..Hα-helixtrans-60.2-41.8178.5170.70000110.8K362 R368 G369 H370 I438K362-V366 HydrophobicContact CG-CG2 4.21Å; K362-V366 VanDerWaalsContact O-CG2 3.31Å; K362-V366 WeakPolarHBondContact O-CG2 3.48Å; K362-V366 PolarHBondContact O-N 2.95Å; V366-R368 PolarHBondContact O-N 3.39Å; V366-G369 PolarHBondContact O-N 3.1Å; V366-H370 WeakPolarHBondContact CA-O 3.48Å; V366-H370 PolarHBondContact N-O 3.26Å; V366-I438 HydrophobicContact CG1-CB 4.34Å; V366-I438 HydrophobicContact CG1-CD1 4.48Å; V366-I438 HydrophobicContact CG1-CG2 3.99Å; V366-I438 WeakPolarHBondContact O-CD1 3.26Å
367K81.4Confident85Confident116 Ų11674.4 Ų74.450%0.50437%0.371SS..Hα-helixtrans-60-27.4174.4-77176.1-179.5-1790113.8L363 E364 Q365 G369L363-K367 VanDerWaalsContact O-CG 3.3Å; L363-K367 WeakPolarHBondContact O-CG 3.41Å; L363-K367 PolarHBondContact O-N 3.35Å; E364-K367 PolarHBondContact O-N 3.49Å; Q365-K367 VanDerWaalsContact C-N 3.3Å; Q365-K367 PolarHBondContact O-N 2.91Å; K367-G369 VanDerWaalsContact C-N 3.31Å
368R82.6Confident84.7Confident156 Ų15675.8 Ų75.859%0.58938%0.378SS*.THydrogen-bonded Turntrans-88.11.5176-64.5173.8-171.1-163.30.6112.8E364 Q365 V366E364-R368 WeakPolarHBondContact O-CG 3.48Å; E364-R368 PolarHBondContact O-N 3.04Å; E364-R368 IonicContact OE1-CZ 3.8Å; E364-R368 IonicContact OE1-NE 3.79Å; E364-R368 PolarHBondContact OE1-NE 3.05Å; E364-R368 VanDerWaalsContact OE1-NE 3.09Å; E364-R368 IonicContact OE1-NH2 3.78Å; E364-R368 PolarHBondContact OE1-NH2 2.88Å; Q365-R368 CarbonylContact O-C 3.54Å; Q365-R368 WeakPolarHBondContact O-CA 3.2Å; Q365-R368 WeakPolarHBondContact O-CB 3.22Å; Q365-R368 PolarHBondContact O-N 2.9Å; V366-R368 PolarHBondContact O-N 3.39Å
369G77.6Confident84.4Confident64 Ų6477 Ų7766%0.6638%0.383SS*.THydrogen-bonded Turntrans79.818-176.800000114.1Q365 V366 K367Q365-G369 PolarHBondContact O-N 2.68Å; V366-G369 PolarHBondContact O-N 3.1Å; K367-G369 VanDerWaalsContact C-N 3.31Å
370H81.1Confident84.3Confident115 Ų11574.8 Ų74.853%0.53237%0.374SS..  trans-112.1153.6179.5-59-45.3000112.1Q365 V366Q365-H370 CarbonylContact C-O 3.59Å; Q365-H370 HydrophobicContact CB-CB 4.37Å; Q365-H370 PolarHBondContact O-N 3.19Å; V366-H370 WeakPolarHBondContact CA-O 3.48Å; V366-H370 PolarHBondContact N-O 3.26Å
371D79.1Confident84.1Confident97 Ų9772.8 Ų72.852%0.51937%0.367SS..  trans-95.4161.5168.9-169.124.4000111.5P373 N376D371-P373 WeakPolarHBondContact O-CD 3.43Å; D371-N376 PolarHBondContact OD1-ND2 3.42Å; D371-N376 PolarHBondContact OD2-ND2 3.48Å
372A85.4Confident83.9Confident3 Ų374.4 Ų74.43%0.02538%0.377CS..  trans-117.874.4-179.600000111.3Y361 K362 Q365 L374 C375 N376Y361-A372 HydrophobicContact CD1-CB 4.25Å; Y361-A372 HydrophobicContact CE1-CB 3.86Å; K362-A372 HydrophobicContact CB-CB 4.2Å; K362-A372 HydrophobicContact CD-CB 4.48Å; K362-A372 HydrophobicContact CG-CB 4.04Å; Q365-A372 HydrophobicContact CG-CB 4.49Å; A372-L374 PolarHBondContact O-N 3.14Å; A372-C375 HydrophobicContact CB-CB 4.03Å; A372-C375 PolarHBondContact O-N 3.28Å; A372-C375 VanDerWaalsContact O-N 3.13Å; A372-N376 PolarHBondContact O-N 3.47Å; A372-N376 PolarHBondContact O-ND2 2.95Å; A372-N376 PolarHBondContact O-OD1 3.2Å
373P84Confident83.7Confident90 Ų9074.7 Ų74.758%0.58438%0.379SS*.Hα-helixtrans-62.1-36.6-167.722.2-33.6000114D371 N376 K377D371-P373 WeakPolarHBondContact O-CD 3.43Å; P373-N376 WeakPolarHBondContact O-CB 3.43Å; P373-N376 PolarHBondContact O-N 2.82Å; P373-K377 PolarHBondContact O-N 2.95Å
374L83.3Confident83.8Confident135 Ų13575.9 Ų75.971%0.70738%0.383SS*.Hα-helixtrans-65.7-44.3176.4-68.5173.3000111.7A372 N376 K377 L378A372-L374 PolarHBondContact O-N 3.14Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-N376 PolarHBondContact O-N 3.09Å; L374-K377 PolarHBondContact O-N 3.14Å; L374-L378 WeakPolarHBondContact O-CB 3.21Å; L374-L378 WeakPolarHBondContact O-CG 3.4Å; L374-L378 PolarHBondContact O-N 3.35Å
375C83.6Confident83.9Confident22 Ų2278.4 Ų78.415%0.14939%0.393CS..Hα-helixtrans-64.9-38.5174.9-66.90000111.6Y361 A372 K377 L379 F380Y361-C375 WeakPolarHBondContact CD1-SG 3.47Å; A372-C375 HydrophobicContact CB-CB 4.03Å; A372-C375 PolarHBondContact O-N 3.28Å; A372-C375 VanDerWaalsContact O-N 3.13Å; C375-K377 VanDerWaalsContact C-N 3.32Å; C375-K377 PolarHBondContact O-N 2.93Å; C375-L379 WeakPolarHBondContact O-CB 3.24Å; C375-L379 PolarHBondContact O-N 3.46Å; C375-F380 HydrophobicContact CB-CD2 4.41Å; C375-F380 HydrophobicContact CB-CE2 4.26Å; C375-F380 WeakPolarHBondContact O-CD2 3.28Å; C375-F380 PolarHBondContact O-N 3.13Å
376N82.8Confident83.8Confident21 Ų2178.9 Ų78.911%0.11240%0.396CS..Iπ-helixtrans-59.3-44.4177.5-67.6-12.7000111.4K362 D371 A372 P373 L374 Q381 C414K362-N376 WeakPolarHBondContact CD-OD1 3.14Å; K362-N376 VanDerWaalsContact CE-OD1 3.23Å; K362-N376 WeakPolarHBondContact CE-OD1 3.17Å; K362-N376 PolarHBondContact NZ-OD1 3.48Å; D371-N376 PolarHBondContact OD1-ND2 3.42Å; D371-N376 PolarHBondContact OD2-ND2 3.48Å; A372-N376 PolarHBondContact O-N 3.47Å; A372-N376 PolarHBondContact O-ND2 2.95Å; A372-N376 PolarHBondContact O-OD1 3.2Å; P373-N376 WeakPolarHBondContact O-CB 3.43Å; P373-N376 PolarHBondContact O-N 2.82Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-N376 PolarHBondContact O-N 3.09Å; N376-Q381 PolarHBondContact O-N 3.43Å; N376-C414 PolarHBondContact OD1-SG 3.32Å
377K82.6Confident84.1Confident151 Ų15177.6 Ų77.666%0.65739%0.388SS*.Iπ-helixtrans-75.2-44.4-179-165.9174.1-177.7177.70112.8P373 L374 C375 Q381P373-K377 PolarHBondContact O-N 2.95Å; L374-K377 PolarHBondContact O-N 3.14Å; C375-K377 VanDerWaalsContact C-N 3.32Å; C375-K377 PolarHBondContact O-N 2.93Å; K377-Q381 VanDerWaalsContact O-CB 3.26Å; K377-Q381 WeakPolarHBondContact O-CB 3.32Å; K377-Q381 PolarHBondContact O-OE1 3.21Å
378L81.6Confident84.6Confident135 Ų13572.7 Ų72.771%0.70737%0.37SS*.Iπ-helixtrans-83.8-38.2-171.9-65173.9000113.7L374L374-L378 WeakPolarHBondContact O-CB 3.21Å; L374-L378 WeakPolarHBondContact O-CG 3.4Å; L374-L378 PolarHBondContact O-N 3.35Å
379L84.1Confident85Confident33 Ų3366.5 Ų66.517%0.17336%0.355CS..Iπ-helixtrans-105.4-52.4-172.7-61.3175.2000112.2L354 C375L354-L379 HydrophobicContact CD2-CD2 3.67Å; L354-L379 HydrophobicContact CG-CD1 4.47Å; L354-L379 HydrophobicContact CG-CD2 3.74Å; C375-L379 WeakPolarHBondContact O-CB 3.24Å; C375-L379 PolarHBondContact O-N 3.46Å
380F86.7Confident85.8Confident0 Ų068.8 Ų68.80%034%0.343CS..Iπ-helixtrans-84.7-15.3-169.6-63.4-66.8000114F355 K362 C375 K382 V383 K384 V411 C412 C414F355-F380 HydrophobicContact CE2-CD1 4.29Å; F355-F380 AromaticContact CE2-CE1 3.87Å; F355-F380 HydrophobicContact CE2-CE1 3.87Å; F355-F380 HydrophobicContact CZ-CE1 4.19Å; K362-F380 HydrophobicContact CB-CE2 4.14Å; K362-F380 HydrophobicContact CD-CD2 3.87Å; K362-F380 HydrophobicContact CD-CE2 3.57Å; K362-F380 HydrophobicContact CD-CZ 4.33Å; K362-F380 HydrophobicContact CG-CE2 4.48Å; C375-F380 HydrophobicContact CB-CD2 4.41Å; C375-F380 HydrophobicContact CB-CE2 4.26Å; C375-F380 WeakPolarHBondContact O-CD2 3.28Å; C375-F380 PolarHBondContact O-N 3.13Å; F380-K382 PolarHBondContact O-N 3.05Å; F380-V383 WeakPolarHBondContact O-CA 3.43Å; F380-V383 WeakPolarHBondContact O-CB 3.09Å; F380-V383 PolarHBondContact O-N 2.88Å; F380-K384 WeakPolarHBondContact O-CG 3.34Å; F380-K384 PolarHBondContact O-N 3.41Å; F380-V411 HydrophobicContact CZ-CG1 4.12Å; F380-C412 HydrophobicContact CD1-CB 4.39Å; F380-C412 HydrophobicContact CE1-CB 4.49Å; F380-C414 VanDerWaalsContact CB-SG 3.58Å
381Q86.1Confident86.5Confident97 Ų9763.6 Ų63.645%0.45332%0.32SS..Hα-helixtrans-56.2-36.9178-169.2-179.917.500112.8N376 K377 V383 K385N376-Q381 PolarHBondContact O-N 3.43Å; K377-Q381 VanDerWaalsContact O-CB 3.26Å; K377-Q381 WeakPolarHBondContact O-CB 3.32Å; K377-Q381 PolarHBondContact O-OE1 3.21Å; Q381-V383 VanDerWaalsContact C-N 3.34Å; Q381-K385 WeakPolarHBondContact O-CG 3.38Å; Q381-K385 PolarHBondContact O-N 3.3Å
382K84.8Confident87.3Confident154 Ų15462.9 Ų62.967%0.6731%0.31SS*.Hα-helixtrans-66.9-35.7175.4-68.9-176.8-179.6178.90112.3F380F380-K382 PolarHBondContact O-N 3.05Å
383V85.9Confident87.7Confident10 Ų1063.4 Ų63.46%0.06131%0.312CS..Hα-helixtrans-72.3-45.4177.5-177.80000110.4V340 F355 F380 Q381 K385 L386 C412 F413V340-V383 HydrophobicContact CG1-CG1 3.94Å; V340-V383 HydrophobicContact CG1-CG2 4.19Å; V340-V383 HydrophobicContact CG2-CG1 3.8Å; F355-V383 HydrophobicContact CE2-CG2 4.19Å; F380-V383 WeakPolarHBondContact O-CA 3.43Å; F380-V383 WeakPolarHBondContact O-CB 3.09Å; F380-V383 PolarHBondContact O-N 2.88Å; Q381-V383 VanDerWaalsContact C-N 3.34Å; V383-K385 PolarHBondContact O-N 3.18Å; V383-L386 HydrophobicContact CG1-CD1 4.4Å; V383-L386 VanDerWaalsContact O-CB 3.25Å; V383-L386 WeakPolarHBondContact O-CB 3.38Å; V383-L386 WeakPolarHBondContact O-CG 3.36Å; V383-L386 PolarHBondContact O-N 3.22Å; V383-C412 HydrophobicContact CG1-CB 4.11Å; V383-F413 HydrophobicContact CG1-CE1 4.11Å; V383-F413 HydrophobicContact CG1-CE2 4.27Å; V383-F413 HydrophobicContact CG1-CZ 3.92Å; V383-F413 WeakPolarHBondContact O-CE1 3.32Å
384K89.1Confident88.2Confident53 Ų5359.2 Ų59.223%0.2328%0.284CS..Hα-helixtrans-54.1-38.5175-68.3-169.169.4168.40112.6F380 L386 L387 G389 F413 C414F380-K384 WeakPolarHBondContact O-CG 3.34Å; F380-K384 PolarHBondContact O-N 3.41Å; K384-L386 PolarHBondContact O-N 3.1Å; K384-L386 VanDerWaalsContact O-N 3.17Å; K384-L387 CarbonylContact O-C 3.59Å; K384-L387 PolarHBondContact O-N 3.29Å; K384-G389 WeakPolarHBondContact CE-O 3.41Å; K384-G389 VanDerWaalsContact O-CA 3.29Å; K384-G389 WeakPolarHBondContact O-CA 3.36Å; K384-G389 PolarHBondContact O-N 3.41Å; K384-F413 WeakPolarHBondContact CD-O 3.39Å; K384-F413 VanDerWaalsContact CE-O 3.3Å; K384-F413 WeakPolarHBondContact CE-O 3.49Å; K384-F413 WeakPolarHBondContact CG-O 3.34Å; K384-C414 HydrophobicContact CD-CB 4.1Å
385K88.9Confident88.7Confident129 Ų12954.3 Ų54.356%0.56126%0.259SS*.G310 helixtrans-60.5-21.4178.3-78.4-179.8179.8-172.70113.9Q381 V383 L387 G388Q381-K385 WeakPolarHBondContact O-CG 3.38Å; Q381-K385 PolarHBondContact O-N 3.3Å; V383-K385 PolarHBondContact O-N 3.18Å; K385-L387 PolarHBondContact O-N 2.97Å; K385-G388 PolarHBondContact O-N 3.15Å
386L86Confident89Confident44 Ų4453.3 Ų53.323%0.2325%0.252CS..G310 helixtrans-63.3-28.7174.5-61.3173000112.6V340 K343 V383 K384V340-L386 HydrophobicContact CG2-CD1 3.56Å; K343-L386 HydrophobicContact CD-CD2 4.36Å; K343-L386 VanDerWaalsContact NZ-CD2 3.29Å; V383-L386 HydrophobicContact CG1-CD1 4.4Å; V383-L386 VanDerWaalsContact O-CB 3.25Å; V383-L386 WeakPolarHBondContact O-CB 3.38Å; V383-L386 WeakPolarHBondContact O-CG 3.36Å; V383-L386 PolarHBondContact O-N 3.22Å; K384-L386 PolarHBondContact O-N 3.1Å; K384-L386 VanDerWaalsContact O-N 3.17Å
387L90.2Very high89.3Confident5 Ų552.4 Ų52.43%0.02625%0.248CC..G310 helixtrans-108.931.9173.5-58.8179.9000110.8M326 I336 K384 K385 G389 V391 M394 F413M326-L387 HydrophobicContact SD-CD1 4.32Å; M326-L387 HydrophobicContact SD-CD2 4.4Å; I336-L387 HydrophobicContact CD1-CD1 4.37Å; I336-L387 HydrophobicContact CD1-CD2 4.07Å; K384-L387 CarbonylContact O-C 3.59Å; K384-L387 PolarHBondContact O-N 3.29Å; K385-L387 PolarHBondContact O-N 2.97Å; L387-G389 PolarHBondContact O-N 3.15Å; L387-V391 HydrophobicContact CB-CG2 3.83Å; L387-V391 WeakPolarHBondContact O-CG2 3.24Å; L387-M394 HydrophobicContact CD1-CE 4.34Å; L387-M394 HydrophobicContact CD1-SD 4.01Å; L387-F413 HydrophobicContact CB-CD1 4.49Å; L387-F413 HydrophobicContact CB-CE1 4.2Å; L387-F413 HydrophobicContact CD1-CD1 3.66Å; L387-F413 HydrophobicContact CD1-CE1 3.41Å; L387-F413 VanDerWaalsContact CD1-CE1 3.41Å; L387-F413 HydrophobicContact CD1-CG 4.33Å; L387-F413 HydrophobicContact CD1-CZ 3.88Å; L387-F413 HydrophobicContact CG-CD1 4.15Å; L387-F413 HydrophobicContact CG-CE1 3.56Å; L387-F413 HydrophobicContact CG-CZ 4.16Å
388G90.7Very high89.2Confident12 Ų1246.7 Ų46.712%0.12423%0.232CC..THydrogen-bonded Turntrans78.1-4176.100000116C318 K322 K385 R390C318-G388 WeakPolarHBondContact O-CA 3.07Å; K322-G388 WeakPolarHBondContact CG-O 2.88Å; K385-G388 PolarHBondContact O-N 3.15Å; G388-R390 VanDerWaalsContact C-N 3.31Å; G388-R390 PolarHBondContact O-N 2.99Å
389G91.8Very high89.1Confident26 Ų2642.1 Ų42.127%0.26821%0.213SC..SBendtrans84.8-12.1168.800000116.5K384 L387K384-G389 WeakPolarHBondContact CE-O 3.41Å; K384-G389 VanDerWaalsContact O-CA 3.29Å; K384-G389 WeakPolarHBondContact O-CA 3.36Å; K384-G389 PolarHBondContact O-N 3.41Å; L387-G389 PolarHBondContact O-N 3.15Å
390R95.3Very high88.8Confident112 Ų11244.1 Ų44.142%0.42323%0.228SC..  trans-106.5-2.8-176.3-63.7-162.2-58.9175.42.2114.9L321 K322 P323 T324 G388 R392L321-R390 PolarHBondContact O-NH2 3.19Å; K322-R390 HydrophobicContact CB-CG 4.23Å; K322-R390 VanDerWaalsContact O-CZ 3.25Å; K322-R390 PolarHBondContact O-NE 2.92Å; K322-R390 PolarHBondContact O-NH2 2.99Å; P323-R390 CarbonylContact O-C 3.58Å; T324-R390 HydrophobicContact CG2-CB 4.24Å; G388-R390 VanDerWaalsContact C-N 3.31Å; G388-R390 PolarHBondContact O-N 2.99Å; R390-R392 PolarHBondContact O-N 3.17Å; R390-R392 VanDerWaalsContact O-N 3.12Å
391V95.1Very high88.7Confident6 Ų644.4 Ų44.44%0.03623%0.23CC..  trans-55.8121.9178.7179.40000109.7P323 T324 L387 M394P323-V391 HydrophobicContact CG-CG2 4.21Å; P323-V391 WeakPolarHBondContact O-CA 3.31Å; P323-V391 WeakPolarHBondContact O-CG2 3.48Å; P323-V391 PolarHBondContact O-N 2.88Å; T324-V391 WeakPolarHBondContact O-CA 3.37Å; L387-V391 HydrophobicContact CB-CG2 3.83Å; L387-V391 WeakPolarHBondContact O-CG2 3.24Å; V391-M394 HydrophobicContact CG1-CE 4.33Å; V391-M394 HydrophobicContact CG1-CG 3.66Å; V391-M394 HydrophobicContact CG1-SD 4.37Å
392R94.8Very high88.5Confident83 Ų8340.4 Ų40.431%0.31321%0.213SC..  trans-108.7-19.9178.575.7177.3-175.592-7112.4P262 G263 D268 T324 L325 R390 C415 P416P262-R392 PolarHBondContact O-NH1 3.23Å; P262-R392 PolarHBondContact O-NH2 2.96Å; G263-R392 PolarHBondContact O-NH2 3.27Å; D268-R392 IonicContact OD1-CZ 3.39Å; D268-R392 IonicContact OD1-NE 3.57Å; D268-R392 PolarHBondContact OD1-NE 3.42Å; D268-R392 IonicContact OD1-NH2 2.75Å; D268-R392 PolarHBondContact OD1-NH2 2.74Å; D268-R392 IonicContact OD2-CZ 2.91Å; D268-R392 IonicContact OD2-NE 3.46Å; D268-R392 IonicContact OD2-NH2 3.49Å; D268-R392 PolarHBondContact OD2-NH2 2.81Å; T324-R392 WeakPolarHBondContact O-CG 3.4Å; T324-R392 PolarHBondContact O-N 3.49Å; L325-R392 HydrophobicContact CD2-CG 4.16Å; R390-R392 PolarHBondContact O-N 3.17Å; R390-R392 VanDerWaalsContact O-N 3.12Å; R392-C415 WeakPolarHBondContact O-CB 3.19Å; R392-P416 VanDerWaalsContact O-CD 3.31Å; R392-P416 WeakPolarHBondContact O-CD 3.3Å
393M94.3Very high88.5Confident14 Ų1435.4 Ų35.47%0.06920%0.197CC..EExtended strand (participates in β ladder)trans-155.1142.8178.2-169168.1-173.400111.3R260 I261 T324 L325 M326 V435R260-M393 WeakPolarHBondContact O-CE 3.24Å; I261-M393 HydrophobicContact CG1-SD 4.47Å; I261-M393 HydrophobicContact CG2-SD 4.16Å; T324-M393 PolarHBondContact O-N 2.8Å; L325-M393 HydrophobicContact CD2-CB 3.93Å; M326-M393 PolarHBondContact N-O 3.28Å; M393-V435 HydrophobicContact CE-CG2 3.51Å; M393-V435 HydrophobicContact SD-CG2 4.02Å
394M94.7Very high88.4Confident1 Ų137.9 Ų37.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-128.6138.6170.6-61.8-176.4-101.700110.7M326 M333 L387 V391 M409 F413 C415 P416 V417 G418M326-M394 HydrophobicContact CB-CG 4.34Å; M326-M394 VanDerWaalsContact O-CA 3.28Å; M326-M394 WeakPolarHBondContact O-CA 3.41Å; M333-M394 HydrophobicContact CE-CB 4.31Å; L387-M394 HydrophobicContact CD1-CE 4.34Å; L387-M394 HydrophobicContact CD1-SD 4.01Å; V391-M394 HydrophobicContact CG1-CE 4.33Å; V391-M394 HydrophobicContact CG1-CG 3.66Å; V391-M394 HydrophobicContact CG1-SD 4.37Å; M394-M409 HydrophobicContact CE-CE 4Å; M394-M409 HydrophobicContact SD-CE 3.94Å; M394-F413 HydrophobicContact CE-CB 3.55Å; M394-F413 HydrophobicContact CE-CD1 4.44Å; M394-F413 HydrophobicContact CE-CD2 4Å; M394-F413 HydrophobicContact CE-CG 3.73Å; M394-C415 WeakPolarHBondContact CE-SG 3.5Å; M394-P416 PolarHBondContact N-O 2.98Å; M394-V417 HydrophobicContact CB-CG1 4.35Å; M394-V417 HydrophobicContact CB-CG2 4.21Å; M394-V417 HydrophobicContact CE-CG2 3.79Å; M394-V417 WeakPolarHBondContact O-CA 3.49Å; M394-G418 PolarHBondContact O-N 3.43Å; M394-G418 VanDerWaalsContact O-N 3.09Å
395L93.8Very high88.2Confident32 Ų3235.4 Ų35.417%0.16821%0.208CC..EExtended strand (participates in β ladder)trans-111.7122.5173.5-178.763.5000109.6L280 M326 A327 A328 I432L280-L395 HydrophobicContact CD1-CD2 4.25Å; M326-L395 PolarHBondContact O-N 3.44Å; A327-L395 CarbonylContact C-O 3.44Å; A327-L395 WeakPolarHBondContact CA-O 3.41Å; A328-L395 PolarHBondContact N-O 2.95Å; L395-I432 HydrophobicContact CD1-CG1 4.5Å; L395-I432 HydrophobicContact CD1-CG2 3.88Å; L395-I432 HydrophobicContact CD2-CD1 4.24Å
396S90.9Very high88.2Confident1 Ų129.2 Ų29.21%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-93.5125.8170.4-170.20000110.2A328 M333 G418 Q419 G420A328-S396 CarbonylContact O-C 3.3Å; A328-S396 VanDerWaalsContact O-CA 3.28Å; A328-S396 WeakPolarHBondContact O-CA 3.3Å; M333-S396 VanDerWaalsContact CE-CB 3.47Å; S396-G418 PolarHBondContact N-O 3.38Å; S396-Q419 CarbonylContact O-C 3.3Å; S396-Q419 WeakPolarHBondContact O-CA 3.28Å; S396-G420 PolarHBondContact O-N 3.13Å
397G87.9Confident88.3Confident3 Ų331.4 Ų31.43%0.03119%0.186CC..  trans-144.2172.1178.800000113.7A328 A399A328-G397 PolarHBondContact O-N 2.93Å; G397-A399 VanDerWaalsContact C-N 3.27Å; G397-A399 PolarHBondContact O-N 3.26Å
398G79.6Confident88.3Confident30 Ų3031.9 Ų31.931%0.30919%0.188SC..SBendtrans83.4-26174.200000115.7K644G398-K644 WeakPolarHBondContact O-CD 3.29Å; G398-K644 WeakPolarHBondContact O-CE 3.24Å; G398-K644 PolarHBondContact O-NZ 3.31Å
399A80.4Confident88.2Confident39 Ų3931.3 Ų31.332%0.32218%0.182SC..SBendtrans-151.5163.9173.700000111.4P330 G397 L401P330-A399 HydrophobicContact CG-CB 3.85Å; P330-A399 WeakPolarHBondContact CG-O 3.13Å; G397-A399 VanDerWaalsContact C-N 3.27Å; G397-A399 PolarHBondContact O-N 3.26Å; A399-L401 PolarHBondContact O-N 3.43Å
400P78.5Confident88.1Confident75 Ų7531.3 Ų31.349%0.48718%0.176SC..PPolyproline II helixtrans-65.4126.9178.6-21.733.6000112.9S544P400-S544 PolarHBondContact O-OG 3.35Å
401L83.6Confident87.8Confident7 Ų726 Ų264%0.03716%0.156CC..PPolyproline II helixtrans-97.6132.9173.4-179.568000110.8P330 M333 A399 T405 Q406 Q419P330-L401 HydrophobicContact CB-CB 4.38Å; P330-L401 HydrophobicContact CB-CD1 3.95Å; P330-L401 HydrophobicContact CG-CB 4.19Å; M333-L401 HydrophobicContact CB-CD1 4.13Å; M333-L401 HydrophobicContact SD-CD1 4.16Å; M333-L401 HydrophobicContact SD-CD2 3.57Å; M333-L401 VanDerWaalsContact SD-CD2 3.57Å; A399-L401 PolarHBondContact O-N 3.43Å; L401-T405 HydrophobicContact CD1-CG2 3.8Å; L401-Q406 HydrophobicContact CD2-CB 3.65Å; L401-Q406 HydrophobicContact CD2-CG 3.98Å; L401-Q406 HydrophobicContact CG-CB 4.19Å; L401-Q419 HydrophobicContact CB-CG 4.25Å; L401-Q419 HydrophobicContact CD2-CG 4.37Å; L401-Q419 PolarHBondContact O-NE2 2.94Å
402S82.3Confident87.4Confident13 Ų1325.8 Ų25.89%0.09115%0.154CC..PPolyproline II helixtrans-64.5139.6177.884.70000111.4A404 T405 Q406 S544S402-A404 PolarHBondContact O-N 3.37Å; S402-A404 VanDerWaalsContact O-N 3.14Å; S402-T405 PolarHBondContact O-N 2.99Å; S402-T405 VanDerWaalsContact O-N 3.14Å; S402-T405 WeakPolarHBondContact OG-CB 3.39Å; S402-T405 PolarHBondContact OG-N 2.82Å; S402-T405 VanDerWaalsContact OG-N 3.09Å; S402-T405 PolarHBondContact OG-OG1 3.39Å; S402-T405 VanDerWaalsContact OG-OG1 3.12Å; S402-Q406 PolarHBondContact O-N 2.99Å; S402-S544 PolarHBondContact N-OG 2.9Å
403S85.4Confident87.1Confident49 Ų4921.9 Ų21.934%0.34314%0.14SC..Hα-helixtrans-57.1-31.2177.3-60.10000112.9R407 G441S403-R407 WeakPolarHBondContact O-CB 3.44Å; S403-R407 PolarHBondContact O-N 3.33Å; S403-R407 VanDerWaalsContact O-N 3.1Å; S403-G441 VanDerWaalsContact OG-CA 3.28Å; S403-G441 WeakPolarHBondContact OG-CA 3.49Å; S403-G441 PolarHBondContact OG-N 3.37Å
404A83.2Confident86.8Confident61 Ų6122.7 Ų22.750%0.50415%0.147SC..Hα-helixtrans-69.3-47.8177.500000111.6S402 F408S402-A404 PolarHBondContact O-N 3.37Å; S402-A404 VanDerWaalsContact O-N 3.14Å; A404-F408 WeakPolarHBondContact O-CB 3.28Å; A404-F408 PolarHBondContact O-N 3.47Å
405T84.8Confident86.5Confident1 Ų123 Ų231%0.00615%0.148CC..Hα-helixtrans-64.8-46.4176.9-62.50000110.6M333 D334 N337 L401 S402 R407 F408 M409M333-T405 HydrophobicContact CB-CG2 4.09Å; D334-T405 WeakPolarHBondContact OD1-CB 3.3Å; D334-T405 VanDerWaalsContact OD1-CG2 3.3Å; D334-T405 WeakPolarHBondContact OD1-CG2 3.17Å; D334-T405 PolarHBondContact OD1-OG1 3.47Å; N337-T405 HydrophobicContact CB-CG2 4.4Å; L401-T405 HydrophobicContact CD1-CG2 3.8Å; S402-T405 PolarHBondContact O-N 2.99Å; S402-T405 VanDerWaalsContact O-N 3.14Å; S402-T405 WeakPolarHBondContact OG-CB 3.39Å; S402-T405 PolarHBondContact OG-N 2.82Å; S402-T405 VanDerWaalsContact OG-N 3.09Å; S402-T405 PolarHBondContact OG-OG1 3.39Å; S402-T405 VanDerWaalsContact OG-OG1 3.12Å; T405-R407 VanDerWaalsContact C-N 3.33Å; T405-R407 PolarHBondContact O-N 3.02Å; T405-F408 WeakPolarHBondContact O-CB 3.22Å; T405-F408 PolarHBondContact O-N 3.41Å; T405-F408 VanDerWaalsContact O-N 3.16Å; T405-M409 HydrophobicContact CG2-CG 4.12Å; T405-M409 VanDerWaalsContact O-CG 3.25Å; T405-M409 WeakPolarHBondContact O-CG 3.28Å; T405-M409 PolarHBondContact O-N 3.01Å
406Q88.8Confident86.3Confident0 Ų023.5 Ų23.50%015%0.154CC..Hα-helixtrans-56-48.2178.4-169.8-175.4-1.800111.5L401 S402 F408 M409 N410 V417 T440L401-Q406 HydrophobicContact CD2-CB 3.65Å; L401-Q406 HydrophobicContact CD2-CG 3.98Å; L401-Q406 HydrophobicContact CG-CB 4.19Å; S402-Q406 PolarHBondContact O-N 2.99Å; Q406-F408 PolarHBondContact O-N 3.49Å; Q406-M409 PolarHBondContact O-N 2.88Å; Q406-N410 PolarHBondContact O-N 3.14Å; Q406-N410 PolarHBondContact O-ND2 2.99Å; Q406-V417 HydrophobicContact CG-CG1 4.37Å; Q406-V417 PolarHBondContact NE2-O 2.94Å; Q406-T440 HydrophobicContact CB-CG2 4.31Å; Q406-T440 HydrophobicContact CG-CG2 4.29Å
407R89Confident86.3Confident89 Ų8923.7 Ų23.734%0.33616%0.155SC..Hα-helixtrans-61.5-44.3177.4-172173.4-64.1-171.85.7112.3L363 S403 T405 M409 N410 V411 T440L363-R407 HydrophobicContact CD1-CG 3.7Å; S403-R407 WeakPolarHBondContact O-CB 3.44Å; S403-R407 PolarHBondContact O-N 3.33Å; S403-R407 VanDerWaalsContact O-N 3.1Å; T405-R407 VanDerWaalsContact C-N 3.33Å; T405-R407 PolarHBondContact O-N 3.02Å; R407-M409 VanDerWaalsContact C-N 3.31Å; R407-M409 PolarHBondContact O-N 3.29Å; R407-N410 PolarHBondContact O-N 2.88Å; R407-V411 WeakPolarHBondContact O-CG2 3.44Å; R407-V411 PolarHBondContact O-N 2.74Å; R407-V411 VanDerWaalsContact O-N 3.09Å; R407-T440 HydrophobicContact CB-CG2 4.17Å; R407-T440 PolarHBondContact NH2-OG1 3.05Å; R407-T440 VanDerWaalsContact NH2-OG1 3.08Å
408F88.8Confident86.5Confident15 Ų1523.8 Ų23.87%0.06616%0.156CC..Hα-helixtrans-58.7-46.5177.1177.2-90.4000110.9N337 V340 M341 Y359 A404 T405 Q406 V411 C412N337-F408 HydrophobicContact CB-CD1 3.99Å; N337-F408 HydrophobicContact CB-CE1 4.05Å; N337-F408 VanDerWaalsContact CG-CD1 3.44Å; N337-F408 VanDerWaalsContact OD1-CD1 3.29Å; N337-F408 WeakPolarHBondContact OD1-CD1 3.49Å; N337-F408 WeakPolarHBondContact OD1-CE1 3.46Å; N337-F408 WeakPolarHBondContact OD1-CZ 3.45Å; V340-F408 HydrophobicContact CB-CE1 4.22Å; V340-F408 HydrophobicContact CB-CZ 4.04Å; V340-F408 HydrophobicContact CG1-CE1 4.26Å; V340-F408 HydrophobicContact CG1-CZ 3.72Å; M341-F408 HydrophobicContact CG-CE2 4.27Å; M341-F408 HydrophobicContact CG-CZ 4.13Å; M341-F408 HydrophobicContact SD-CE2 3.65Å; M341-F408 HydrophobicContact SD-CZ 3.96Å; Y359-F408 AromaticContact CE2-CD2 3.8Å; Y359-F408 HydrophobicContact CE2-CD2 3.8Å; Y359-F408 HydrophobicContact CE2-CE2 4.4Å; A404-F408 WeakPolarHBondContact O-CB 3.28Å; A404-F408 PolarHBondContact O-N 3.47Å; T405-F408 WeakPolarHBondContact O-CB 3.22Å; T405-F408 PolarHBondContact O-N 3.41Å; T405-F408 VanDerWaalsContact O-N 3.16Å; Q406-F408 PolarHBondContact O-N 3.49Å; F408-V411 PolarHBondContact O-N 3.01Å; F408-C412 HydrophobicContact CD1-CB 4.45Å; F408-C412 HydrophobicContact CE1-CB 4.12Å; F408-C412 WeakPolarHBondContact CE2-SG 3.2Å; F408-C412 HydrophobicContact CZ-CB 4.3Å; F408-C412 WeakPolarHBondContact CZ-SG 3.49Å; F408-C412 VanDerWaalsContact O-CB 3.22Å; F408-C412 WeakPolarHBondContact O-CB 3.27Å; F408-C412 PolarHBondContact O-N 3.27Å; F408-C412 PolarHBondContact O-SG 2.75Å; F408-C412 VanDerWaalsContact O-SG 3.42Å
409M89.9Confident87Confident0 Ų022.9 Ų22.90%014%0.144CC..Hα-helixtrans-63.8-46.8-179.9-65.5-67.4-73.100111.7M333 I336 M394 T405 Q406 R407 V411 C412 F413 V417M333-M409 HydrophobicContact CB-CE 4.49Å; M333-M409 HydrophobicContact CG-CE 4.42Å; I336-M409 HydrophobicContact CB-CE 4.26Å; I336-M409 HydrophobicContact CB-SD 4.44Å; I336-M409 HydrophobicContact CD1-CE 4.23Å; I336-M409 HydrophobicContact CG2-CE 3.93Å; I336-M409 HydrophobicContact CG2-SD 4.05Å; M394-M409 HydrophobicContact CE-CE 4Å; M394-M409 HydrophobicContact SD-CE 3.94Å; T405-M409 HydrophobicContact CG2-CG 4.12Å; T405-M409 VanDerWaalsContact O-CG 3.25Å; T405-M409 WeakPolarHBondContact O-CG 3.28Å; T405-M409 PolarHBondContact O-N 3.01Å; Q406-M409 PolarHBondContact O-N 2.88Å; R407-M409 VanDerWaalsContact C-N 3.31Å; R407-M409 PolarHBondContact O-N 3.29Å; M409-V411 VanDerWaalsContact C-N 3.3Å; M409-V411 PolarHBondContact O-N 3.02Å; M409-C412 PolarHBondContact O-N 3.02Å; M409-F413 HydrophobicContact CE-CD2 3.83Å; M409-F413 HydrophobicContact CE-CE2 3.67Å; M409-F413 WeakPolarHBondContact O-CB 3.46Å; M409-F413 PolarHBondContact O-N 3.45Å; M409-F413 HydrophobicContact SD-CD2 3.87Å; M409-F413 HydrophobicContact SD-CE2 3.57Å; M409-F413 VanDerWaalsContact SD-CE2 3.57Å; M409-V417 HydrophobicContact CB-CB 4.47Å; M409-V417 HydrophobicContact CB-CG1 4.35Å; M409-V417 HydrophobicContact CB-CG2 3.86Å
410N89.3Confident87.6Confident27 Ų2721.8 Ų21.814%0.14414%0.136CC..Hα-helixtrans-50.9-48.4174.2-84.9-35.4000112.2Q406 R407 C414 C415 V417Q406-N410 PolarHBondContact O-N 3.14Å; Q406-N410 PolarHBondContact O-ND2 2.99Å; R407-N410 PolarHBondContact O-N 2.88Å; N410-C414 PolarHBondContact O-N 3.03Å; N410-C415 PolarHBondContact OD1-O 2.86Å; N410-V417 WeakPolarHBondContact OD1-CA 3.46Å; N410-V417 VanDerWaalsContact OD1-CB 3.26Å; N410-V417 WeakPolarHBondContact OD1-CB 3.34Å; N410-V417 WeakPolarHBondContact OD1-CG2 3.4Å; N410-V417 PolarHBondContact OD1-N 3Å
411V88.1Confident88.4Confident1 Ų119.3 Ų19.31%0.00612%0.117CC..Hα-helixtrans-72.9-48.4-177.3175.10000111.3Y359 K362 L363 F380 R407 F408 M409Y359-V411 HydrophobicContact CD2-CB 4.18Å; Y359-V411 HydrophobicContact CD2-CG1 3.49Å; Y359-V411 VanDerWaalsContact CD2-CG1 3.49Å; Y359-V411 HydrophobicContact CE2-CB 3.75Å; Y359-V411 HydrophobicContact CE2-CG1 3.6Å; Y359-V411 HydrophobicContact CE2-CG2 4.36Å; Y359-V411 HydrophobicContact CG-CG1 4.26Å; K362-V411 HydrophobicContact CB-CG1 4.05Å; K362-V411 HydrophobicContact CD-CG1 3.85Å; K362-V411 WeakPolarHBondContact CD-O 3.27Å; K362-V411 VanDerWaalsContact CE-O 3.3Å; K362-V411 WeakPolarHBondContact CE-O 3.32Å; K362-V411 HydrophobicContact CG-CG1 3.93Å; K362-V411 PolarHBondContact NZ-O 2.82Å; L363-V411 HydrophobicContact CB-CG2 4.31Å; L363-V411 HydrophobicContact CD1-CG2 4.13Å; F380-V411 HydrophobicContact CZ-CG1 4.12Å; R407-V411 WeakPolarHBondContact O-CG2 3.44Å; R407-V411 PolarHBondContact O-N 2.74Å; R407-V411 VanDerWaalsContact O-N 3.09Å; F408-V411 PolarHBondContact O-N 3.01Å; M409-V411 VanDerWaalsContact C-N 3.3Å; M409-V411 PolarHBondContact O-N 3.02Å
412C87.9Confident88.9Confident0 Ų020.2 Ų20.20%013%0.128CC..Hα-helixtrans-75.1-32.1-170.6-74.80000114.2F380 V383 F408 M409F380-C412 HydrophobicContact CD1-CB 4.39Å; F380-C412 HydrophobicContact CE1-CB 4.49Å; V383-C412 HydrophobicContact CG1-CB 4.11Å; F408-C412 HydrophobicContact CD1-CB 4.45Å; F408-C412 HydrophobicContact CE1-CB 4.12Å; F408-C412 WeakPolarHBondContact CE2-SG 3.2Å; F408-C412 HydrophobicContact CZ-CB 4.3Å; F408-C412 WeakPolarHBondContact CZ-SG 3.49Å; F408-C412 VanDerWaalsContact O-CB 3.22Å; F408-C412 WeakPolarHBondContact O-CB 3.27Å; F408-C412 PolarHBondContact O-N 3.27Å; F408-C412 PolarHBondContact O-SG 2.75Å; F408-C412 VanDerWaalsContact O-SG 3.42Å; M409-C412 PolarHBondContact O-N 3.02Å
413F88.4Confident89.5Confident2 Ų220.6 Ų20.61%0.00913%0.129CC..Hα-helixtrans-95.7-6.4179.8-71.7-82.5000113.6I336 V340 V383 K384 L387 M394 M409 C415I336-F413 HydrophobicContact CG2-CE2 3.63Å; I336-F413 HydrophobicContact CG2-CZ 3.41Å; I336-F413 VanDerWaalsContact CG2-CZ 3.41Å; V340-F413 HydrophobicContact CG2-CZ 4.25Å; V383-F413 HydrophobicContact CG1-CE1 4.11Å; V383-F413 HydrophobicContact CG1-CE2 4.27Å; V383-F413 HydrophobicContact CG1-CZ 3.92Å; V383-F413 WeakPolarHBondContact O-CE1 3.32Å; K384-F413 WeakPolarHBondContact CD-O 3.39Å; K384-F413 VanDerWaalsContact CE-O 3.3Å; K384-F413 WeakPolarHBondContact CE-O 3.49Å; K384-F413 WeakPolarHBondContact CG-O 3.34Å; L387-F413 HydrophobicContact CB-CD1 4.49Å; L387-F413 HydrophobicContact CB-CE1 4.2Å; L387-F413 HydrophobicContact CD1-CD1 3.66Å; L387-F413 HydrophobicContact CD1-CE1 3.41Å; L387-F413 VanDerWaalsContact CD1-CE1 3.41Å; L387-F413 HydrophobicContact CD1-CG 4.33Å; L387-F413 HydrophobicContact CD1-CZ 3.88Å; L387-F413 HydrophobicContact CG-CD1 4.15Å; L387-F413 HydrophobicContact CG-CE1 3.56Å; L387-F413 HydrophobicContact CG-CZ 4.16Å; M394-F413 HydrophobicContact CE-CB 3.55Å; M394-F413 HydrophobicContact CE-CD1 4.44Å; M394-F413 HydrophobicContact CE-CD2 4Å; M394-F413 HydrophobicContact CE-CG 3.73Å; M409-F413 HydrophobicContact CE-CD2 3.83Å; M409-F413 HydrophobicContact CE-CE2 3.67Å; M409-F413 WeakPolarHBondContact O-CB 3.46Å; M409-F413 PolarHBondContact O-N 3.45Å; M409-F413 HydrophobicContact SD-CD2 3.87Å; M409-F413 HydrophobicContact SD-CE2 3.57Å; M409-F413 VanDerWaalsContact SD-CE2 3.57Å; F413-C415 PolarHBondContact O-N 2.86Å
414C87.2Confident89.9Confident31 Ų3118.9 Ų18.921%0.20912%0.117CC..THydrogen-bonded Turntrans55.939.2179.7-390000112.2K362 N376 F380 K384 N410K362-C414 VanDerWaalsContact NZ-CB 3.33Å; K362-C414 PolarHBondContact NZ-SG 3.34Å; N376-C414 PolarHBondContact OD1-SG 3.32Å; F380-C414 VanDerWaalsContact CB-SG 3.58Å; K384-C414 HydrophobicContact CD-CB 4.1Å; N410-C414 PolarHBondContact O-N 3.03Å
415C88.9Confident90.5Very high6 Ų617 Ų174%0.04110%0.097CC..SBendtrans-145152.6177.563.10000110.2R392 M394 N410 F413 V417R392-C415 WeakPolarHBondContact O-CB 3.19Å; M394-C415 WeakPolarHBondContact CE-SG 3.5Å; N410-C415 PolarHBondContact OD1-O 2.86Å; F413-C415 PolarHBondContact O-N 2.86Å; C415-V417 PolarHBondContact O-N 3.47Å
416P89.9Confident91Very high43 Ų4316.9 Ų16.928%0.27910%0.097SC..  trans-60.1131.4170.9-24.236.5000111.9R392 M394 V435R392-P416 VanDerWaalsContact O-CD 3.31Å; R392-P416 WeakPolarHBondContact O-CD 3.3Å; M394-P416 PolarHBondContact N-O 2.98Å; P416-V435 HydrophobicContact CB-CG1 4.05Å; P416-V435 HydrophobicContact CG-CG1 3.64Å
417V91.5Very high91.4Very high5 Ų516.9 Ų16.93%0.0310%0.097CC..EExtended strand (participates in β ladder)trans-122.996.7175.5-173.70000107.1M333 M394 Q406 M409 N410 C415M333-V417 HydrophobicContact CE-CG1 3.72Å; M333-V417 HydrophobicContact SD-CG1 3.88Å; M394-V417 HydrophobicContact CB-CG1 4.35Å; M394-V417 HydrophobicContact CB-CG2 4.21Å; M394-V417 HydrophobicContact CE-CG2 3.79Å; M394-V417 WeakPolarHBondContact O-CA 3.49Å; Q406-V417 HydrophobicContact CG-CG1 4.37Å; Q406-V417 PolarHBondContact NE2-O 2.94Å; M409-V417 HydrophobicContact CB-CB 4.47Å; M409-V417 HydrophobicContact CB-CG1 4.35Å; M409-V417 HydrophobicContact CB-CG2 3.86Å; N410-V417 WeakPolarHBondContact OD1-CA 3.46Å; N410-V417 VanDerWaalsContact OD1-CB 3.26Å; N410-V417 WeakPolarHBondContact OD1-CB 3.34Å; N410-V417 WeakPolarHBondContact OD1-CG2 3.4Å; N410-V417 PolarHBondContact OD1-N 3Å; C415-V417 PolarHBondContact O-N 3.47Å
418G90.1Very high91.7Very high5 Ų513.4 Ų13.45%0.0529%0.088CC..EExtended strand (participates in β ladder)trans-90.2152.9178.900000111.5M394 S396M394-G418 PolarHBondContact O-N 3.43Å; M394-G418 VanDerWaalsContact O-N 3.09Å; S396-G418 PolarHBondContact N-O 3.38Å
419Q91.7Very high92Very high12 Ų1212.7 Ų12.76%0.0569%0.085CC..EExtended strand (participates in β ladder)trans-97.4142.6163-62.9-168.964.200109.1S396 L401 T433 V443S396-Q419 CarbonylContact O-C 3.3Å; S396-Q419 WeakPolarHBondContact O-CA 3.28Å; L401-Q419 HydrophobicContact CB-CG 4.25Å; L401-Q419 HydrophobicContact CD2-CG 4.37Å; L401-Q419 PolarHBondContact O-NE2 2.94Å; Q419-T433 PolarHBondContact N-OG1 3.12Å; Q419-T433 VanDerWaalsContact N-OG1 3.17Å; Q419-T433 PolarHBondContact O-N 3.49Å; Q419-T433 PolarHBondContact O-OG1 3.29Å; Q419-V443 HydrophobicContact CB-CG1 4.17Å; Q419-V443 VanDerWaalsContact O-O 3.04Å
420G92.8Very high92.3Very high16 Ų1612.7 Ų12.717%0.1659%0.085CC..EExtended strand (participates in β ladder)trans-120.7142.2171.600000110.9S396 T431S396-G420 PolarHBondContact O-N 3.13Å; G420-T431 CarbonylContact C-O 3.48Å; G420-T431 VanDerWaalsContact CA-O 3.29Å; G420-T431 WeakPolarHBondContact CA-O 3.33Å
421Y95.3Very high92.7Very high22 Ų2211.4 Ų11.49%0.0868%0.078CC..EExtended strand (participates in β ladder)trans-122.5131.2174.2169.3-104000110.3L423 G430 T431 I474 I476 T507 D509 L519 I521Y421-L423 HydrophobicContact CE1-CD1 4.4Å; Y421-L423 HydrophobicContact CE2-CD1 4.09Å; Y421-G430 CarbonylContact O-C 3.58Å; Y421-G430 VanDerWaalsContact O-CA 3.29Å; Y421-G430 WeakPolarHBondContact O-CA 3.49Å; Y421-G430 PolarHBondContact O-N 2.85Å; Y421-T431 WeakPolarHBondContact CB-OG1 3.31Å; Y421-T431 PolarHBondContact N-O 3.08Å; Y421-T431 PolarHBondContact O-N 3.24Å; Y421-I474 HydrophobicContact CE1-CD1 4.19Å; Y421-I474 HydrophobicContact CE1-CG2 4.1Å; Y421-I476 HydrophobicContact CE1-CD1 3.93Å; Y421-T507 WeakPolarHBondContact OH-CB 3.45Å; Y421-T507 WeakPolarHBondContact OH-CG2 3.34Å; Y421-T507 PolarHBondContact OH-OG1 3.02Å; Y421-D509 HydrophobicContact CE2-CB 4.49Å; Y421-D509 WeakPolarHBondContact OH-CB 3.38Å; Y421-D509 PolarHBondContact OH-OD2 2.87Å; Y421-L519 HydrophobicContact CD1-CD2 4.18Å; Y421-L519 HydrophobicContact CE1-CD2 4.37Å; Y421-I521 HydrophobicContact CD1-CD1 3.96Å; Y421-I521 HydrophobicContact CD2-CD1 3.68Å; Y421-I521 HydrophobicContact CD2-CG1 3.94Å; Y421-I521 HydrophobicContact CE1-CD1 4.07Å; Y421-I521 HydrophobicContact CE2-CD1 3.82Å; Y421-I521 HydrophobicContact CE2-CG1 4.37Å; Y421-I521 HydrophobicContact CG-CD1 3.75Å; Y421-I521 HydrophobicContact CG-CG1 4.21Å
422G93.9Very high93Very high26 Ų2611.9 Ų11.927%0.2688%0.081SC..  trans-178.8157.4178.300000109.7
423L94.2Very high93.3Very high21 Ų2112 Ų1211%0.118%0.082CC..  trans-119.6164.8177.7-57.393.9000110.1Y421 E425 T426 C427 G428 F505 T507Y421-L423 HydrophobicContact CE1-CD1 4.4Å; Y421-L423 HydrophobicContact CE2-CD1 4.09Å; L423-E425 WeakPolarHBondContact CB-OE2 3.45Å; L423-E425 PolarHBondContact O-N 2.99Å; L423-T426 PolarHBondContact N-OG1 3.04Å; L423-T426 CarbonylContact O-C 3.09Å; L423-T426 PolarHBondContact O-N 3.23Å; L423-T426 PolarHBondContact O-OG1 3.13Å; L423-C427 PolarHBondContact O-N 2.95Å; L423-G428 PolarHBondContact O-N 2.85Å; L423-F505 HydrophobicContact CB-CE1 4.32Å; L423-F505 HydrophobicContact CD1-CE1 4.2Å; L423-F505 HydrophobicContact CD2-CE1 4.13Å; L423-F505 HydrophobicContact CG-CE1 4.45Å; L423-T507 HydrophobicContact CD1-CG2 3.89Å
424T93.9Very high93.4Very high13 Ų1314 Ų148%0.089%0.091CC..G310 helixtrans-56.4-38.5175.6-57.70000111M231 T233 V243 I245 T426 C427 T482M231-T424 HydrophobicContact CB-CG2 3.91Å; M231-T424 HydrophobicContact CG-CG2 3.86Å; M231-T424 HydrophobicContact SD-CG2 3.71Å; T233-T424 HydrophobicContact CG2-CG2 3.74Å; T233-T424 WeakPolarHBondContact CG2-OG1 3.38Å; V243-T424 HydrophobicContact CB-CG2 3.8Å; V243-T424 HydrophobicContact CG1-CG2 4.11Å; V243-T424 HydrophobicContact CG2-CG2 3.78Å; I245-T424 HydrophobicContact CD1-CG2 4.27Å; T424-T426 PolarHBondContact O-N 3.08Å; T424-C427 PolarHBondContact O-N 3.48Å; T424-T482 WeakPolarHBondContact O-CG2 3.49Å
425E95.7Very high93.4Very high21 Ų2115 Ų1510%0.09810%0.096CC..G310 helixtrans-64.2-10.7178.4-63.283.4178.300114V243 L423 T482 Y485 F495 F505V243-E425 HydrophobicContact CG1-CG 4.39Å; V243-E425 HydrophobicContact CG2-CG 4.16Å; L423-E425 WeakPolarHBondContact CB-OE2 3.45Å; L423-E425 PolarHBondContact O-N 2.99Å; E425-T482 VanDerWaalsContact C-CG2 3.47Å; E425-T482 VanDerWaalsContact CA-OG1 3.29Å; E425-T482 WeakPolarHBondContact CA-OG1 3.4Å; E425-T482 WeakPolarHBondContact O-CB 3.2Å; E425-T482 VanDerWaalsContact O-CG2 3.24Å; E425-T482 WeakPolarHBondContact O-CG2 3.36Å; E425-T482 PolarHBondContact O-N 3.34Å; E425-T482 PolarHBondContact O-OG1 2.86Å; E425-Y485 HydrophobicContact CG-CE1 4.14Å; E425-Y485 PolarHBondContact OE1-OH 3.48Å; E425-F495 HydrophobicContact CB-CE1 4.4Å; E425-F495 HydrophobicContact CB-CZ 3.92Å; E425-F495 HydrophobicContact CG-CZ 4.01Å; E425-F505 HydrophobicContact CB-CD1 3.95Å; E425-F505 HydrophobicContact CB-CD2 3.87Å; E425-F505 HydrophobicContact CB-CE1 3.62Å; E425-F505 HydrophobicContact CB-CE2 3.52Å; E425-F505 HydrophobicContact CB-CG 4.07Å; E425-F505 HydrophobicContact CB-CZ 3.4Å; E425-F505 VanDerWaalsContact CB-CZ 3.4Å; E425-F505 HydrophobicContact CG-CD2 4.34Å; E425-F505 HydrophobicContact CG-CE1 4.21Å; E425-F505 HydrophobicContact CG-CE2 3.57Å; E425-F505 HydrophobicContact CG-CZ 3.5Å
426T96.8Very high93.2Very high0 Ų019 Ų190%013%0.129CC..G310 helixtrans-123.117.1178.858.60000112.6L423 T424 G428 A429 I476 N480 F505L423-T426 PolarHBondContact N-OG1 3.04Å; L423-T426 CarbonylContact O-C 3.09Å; L423-T426 PolarHBondContact O-N 3.23Å; L423-T426 PolarHBondContact O-OG1 3.13Å; T424-T426 PolarHBondContact O-N 3.08Å; T426-G428 PolarHBondContact O-N 2.97Å; T426-A429 WeakPolarHBondContact CB-O 3.39Å; T426-A429 PolarHBondContact O-N 3.35Å; T426-I476 HydrophobicContact CG2-CB 3.98Å; T426-I476 HydrophobicContact CG2-CD1 3.94Å; T426-I476 HydrophobicContact CG2-CG2 3.94Å; T426-N480 CarbonylContact C-O 3.59Å; T426-N480 VanDerWaalsContact C-O 3.3Å; T426-N480 PolarHBondContact O-ND2 3.47Å; T426-F505 HydrophobicContact CG2-CB 4.34Å; T426-F505 HydrophobicContact CG2-CD1 3.69Å; T426-F505 HydrophobicContact CG2-CE1 4.45Å; T426-F505 HydrophobicContact CG2-CG 4.34Å
427C96.8Very high93.1Very high0 Ų018.1 Ų18.10%012%0.122CC..THydrogen-bonded Turntrans57.629.7-176-58.50000114.2I245 N249 L250 Q257 V279 L423 T424 A429 N480I245-C427 VanDerWaalsContact CG2-SG 3.54Å; N249-C427 VanDerWaalsContact C-SG 3.57Å; N249-C427 WeakPolarHBondContact CB-SG 3.45Å; L250-C427 HydrophobicContact CD2-CB 4.17Å; Q257-C427 PolarHBondContact NE2-O 3.44Å; Q257-C427 VanDerWaalsContact NE2-O 3.15Å; V279-C427 VanDerWaalsContact CG2-C 3.47Å; L423-C427 PolarHBondContact O-N 2.95Å; T424-C427 PolarHBondContact O-N 3.48Å; C427-A429 PolarHBondContact O-N 3.47Å; C427-N480 PolarHBondContact SG-O 3.38Å
428G93.8Very high92.6Very high15 Ų1522 Ų2216%0.15514%0.142CC..THydrogen-bonded Turntrans69.94.8-174.600000114.7L423 T426L423-G428 PolarHBondContact O-N 2.85Å; T426-G428 PolarHBondContact O-N 2.97Å
429A95.6Very high92.5Very high0 Ų023.2 Ų23.20%015%0.149CC..  trans-104.1119.4-17700000111.6T426 C427 L447 N480T426-A429 WeakPolarHBondContact CB-O 3.39Å; T426-A429 PolarHBondContact O-N 3.35Å; C427-A429 PolarHBondContact O-N 3.47Å; A429-L447 HydrophobicContact CB-CD1 3.87Å; A429-N480 HydrophobicContact CB-CB 4.32Å; A429-N480 PolarHBondContact O-ND2 3.49Å
430G96.6Very high92.3Very high0 Ų023.8 Ų23.80%015%0.154CC..SBendtrans-152.2-65.2171.700000110.8Y421 P446 L447 C450Y421-G430 CarbonylContact O-C 3.58Å; Y421-G430 VanDerWaalsContact O-CA 3.29Å; Y421-G430 WeakPolarHBondContact O-CA 3.49Å; Y421-G430 PolarHBondContact O-N 2.85Å; G430-P446 WeakPolarHBondContact O-CA 3.4Å; G430-L447 PolarHBondContact O-N 3.22Å; G430-C450 PolarHBondContact O-SG 2.8Å
431T96.9Very high91.8Very high0 Ų024.1 Ų24.10%016%0.157CC..EExtended strand (participates in β ladder)trans-140.5147.3174.165.10000110.2G420 Y421 V443 A445 I452 L519G420-T431 CarbonylContact C-O 3.48Å; G420-T431 VanDerWaalsContact CA-O 3.29Å; G420-T431 WeakPolarHBondContact CA-O 3.33Å; Y421-T431 WeakPolarHBondContact CB-OG1 3.31Å; Y421-T431 PolarHBondContact N-O 3.08Å; Y421-T431 PolarHBondContact O-N 3.24Å; T431-V443 CarbonylContact C-O 3.51Å; T431-V443 WeakPolarHBondContact OG1-CB 3.37Å; T431-V443 WeakPolarHBondContact OG1-CG2 3.22Å; T431-V443 PolarHBondContact OG1-O 2.95Å; T431-V443 VanDerWaalsContact OG1-O 3.11Å; T431-A445 WeakPolarHBondContact CA-O 3.28Å; T431-A445 VanDerWaalsContact CB-O 3.27Å; T431-A445 WeakPolarHBondContact CB-O 3.27Å; T431-I452 HydrophobicContact CG2-CD1 3.43Å; T431-I452 VanDerWaalsContact CG2-CD1 3.43Å; T431-L519 HydrophobicContact CG2-CB 4.17Å; T431-L519 HydrophobicContact CG2-CD2 4.08Å
432I95.4Very high91.6Very high11 Ų1124.5 Ų24.56%0.05616%0.159CC..EExtended strand (participates in β ladder)trans-137.1137.2167.5-65.7178000108.3Q257 R260 L395 E434 V443 L447Q257-I432 HydrophobicContact CB-CD1 4.2Å; Q257-I432 HydrophobicContact CG-CD1 3.96Å; R260-I432 HydrophobicContact CB-CB 4.28Å; R260-I432 HydrophobicContact CB-CG2 3.92Å; R260-I432 HydrophobicContact CG-CB 4.07Å; R260-I432 HydrophobicContact CG-CG2 4.2Å; R260-I432 PolarHBondContact NH1-O 3.12Å; L395-I432 HydrophobicContact CD1-CG1 4.5Å; L395-I432 HydrophobicContact CD1-CG2 3.88Å; L395-I432 HydrophobicContact CD2-CD1 4.24Å; I432-E434 PolarHBondContact O-N 2.89Å; I432-V443 CarbonylContact C-O 3.52Å; I432-V443 VanDerWaalsContact C-O 3.3Å; I432-V443 WeakPolarHBondContact CA-O 3.37Å; I432-V443 PolarHBondContact N-O 2.86Å; I432-L447 HydrophobicContact CB-CD2 3.84Å; I432-L447 HydrophobicContact CD1-CD1 4.27Å; I432-L447 HydrophobicContact CD1-CD2 4.23Å; I432-L447 HydrophobicContact CG1-CD1 4.29Å; I432-L447 HydrophobicContact CG1-CD2 3.94Å
433T93.6Very high91.6Very high3 Ų323.7 Ų23.72%0.01815%0.149CC..  trans-62124.4174.2-53.80000110.4Q419 D437 V443Q419-T433 PolarHBondContact N-OG1 3.12Å; Q419-T433 VanDerWaalsContact N-OG1 3.17Å; Q419-T433 PolarHBondContact O-N 3.49Å; Q419-T433 PolarHBondContact O-OG1 3.29Å; T433-D437 HydrophobicContact CG2-CB 3.75Å; T433-V443 PolarHBondContact N-O 3.47Å; T433-V443 VanDerWaalsContact N-O 3.16Å
434E90.6Very high91.6Very high45 Ų4522.7 Ų22.721%0.2114%0.143CC..  trans-59.6148.5174.2-72.9164.5-139.200112.1K2 I432 A436 D437K2-E434 WeakPolarHBondContact CB-OE1 3.29Å; K2-E434 WeakPolarHBondContact CD-OE1 3.46Å; K2-E434 WeakPolarHBondContact CE-OE1 3.4Å; K2-E434 WeakPolarHBondContact CE-OE2 3.49Å; K2-E434 WeakPolarHBondContact CG-OE1 3.28Å; K2-E434 IonicContact NZ-OE1 3.42Å; K2-E434 IonicContact NZ-OE2 2.77Å; K2-E434 PolarHBondContact NZ-OE2 3.49Å; I432-E434 PolarHBondContact O-N 2.89Å; E434-A436 VanDerWaalsContact C-N 3.26Å; E434-A436 PolarHBondContact O-N 3.08Å; E434-D437 HydrophobicContact CB-CB 4.34Å; E434-D437 VanDerWaalsContact O-CB 3.29Å; E434-D437 WeakPolarHBondContact O-CB 3.49Å; E434-D437 PolarHBondContact O-N 3.05Å
435V87.6Confident91.6Very high52 Ų5222.1 Ų22.132%0.31514%0.139SC..THydrogen-bonded Turntrans-58.5-35.8-177.4-178.40000113.6R260 P262 M393 P416 D437R260-V435 WeakPolarHBondContact O-CG2 3.33Å; P262-V435 HydrophobicContact CG-CB 4.23Å; P262-V435 HydrophobicContact CG-CG2 3.63Å; M393-V435 HydrophobicContact CE-CG2 3.51Å; M393-V435 HydrophobicContact SD-CG2 4.02Å; P416-V435 HydrophobicContact CB-CG1 4.05Å; P416-V435 HydrophobicContact CG-CG1 3.64Å; V435-D437 VanDerWaalsContact C-N 3.28Å
436A84.8Confident91.7Very high89 Ų8921.2 Ų21.274%0.73614%0.135SC*.THydrogen-bonded Turntrans-79.8-9.3178.600000113.2E434 I438E434-A436 VanDerWaalsContact C-N 3.26Å; E434-A436 PolarHBondContact O-N 3.08Å; A436-I438 PolarHBondContact O-N 3.19Å
437D87.1Confident91.7Very high25 Ų2521.2 Ų21.213%0.13414%0.135CC..  trans-82.7110.1-179.2-163.1-19.3000111.7K2 T433 E434 V435 S439 R442K2-D437 IonicContact NZ-OD2 3.16Å; K2-D437 PolarHBondContact NZ-OD2 3.39Å; T433-D437 HydrophobicContact CG2-CB 3.75Å; E434-D437 HydrophobicContact CB-CB 4.34Å; E434-D437 VanDerWaalsContact O-CB 3.29Å; E434-D437 WeakPolarHBondContact O-CB 3.49Å; E434-D437 PolarHBondContact O-N 3.05Å; V435-D437 VanDerWaalsContact C-N 3.28Å; D437-S439 VanDerWaalsContact C-N 3.35Å; D437-S439 WeakPolarHBondContact OD1-CA 3.26Å; D437-S439 WeakPolarHBondContact OD1-CB 3.44Å; D437-S439 PolarHBondContact OD1-N 2.66Å; D437-S439 PolarHBondContact OD1-OG 2.88Å; D437-S439 PolarHBondContact OD2-OG 3.22Å; D437-R442 IonicContact OD1-NH2 3.46Å; D437-R442 IonicContact OD2-NH2 3.1Å; D437-R442 PolarHBondContact OD2-NH2 3.39Å
438I82.1Confident91.8Very high87 Ų8721.5 Ų21.545%0.44614%0.137SC..  trans-90.40.2177.462.8172.1000113.3V366 A436V366-I438 HydrophobicContact CG1-CB 4.34Å; V366-I438 HydrophobicContact CG1-CD1 4.48Å; V366-I438 HydrophobicContact CG1-CG2 3.99Å; V366-I438 WeakPolarHBondContact O-CD1 3.26Å; A436-I438 PolarHBondContact O-N 3.19Å
439S86.7Confident91.9Very high29 Ų2920.8 Ų20.820%0.20313%0.13CC..  trans-65.4155.8176.772.30000111.1D437 R442D437-S439 VanDerWaalsContact C-N 3.35Å; D437-S439 WeakPolarHBondContact OD1-CA 3.26Å; D437-S439 WeakPolarHBondContact OD1-CB 3.44Å; D437-S439 PolarHBondContact OD1-N 2.66Å; D437-S439 PolarHBondContact OD1-OG 2.88Å; D437-S439 PolarHBondContact OD2-OG 3.22Å; S439-R442 VanDerWaalsContact CB-NH2 3.34Å; S439-R442 VanDerWaalsContact OG-CZ 3.31Å; S439-R442 PolarHBondContact OG-NE 2.95Å; S439-R442 PolarHBondContact OG-NH2 3.36Å
440T87.7Confident92Very high25 Ų2520.8 Ų20.815%0.15313%0.13CC..  trans-132.3144.5-175.255.50000110.2Q406 R407Q406-T440 HydrophobicContact CB-CG2 4.31Å; Q406-T440 HydrophobicContact CG-CG2 4.29Å; R407-T440 HydrophobicContact CB-CG2 4.17Å; R407-T440 PolarHBondContact NH2-OG1 3.05Å; R407-T440 VanDerWaalsContact NH2-OG1 3.08Å
441G83.3Confident92Very high23 Ų2321.3 Ų21.324%0.23713%0.132CC..SBendtrans88.54.6-178.600000114.4S403 M520S403-G441 VanDerWaalsContact OG-CA 3.28Å; S403-G441 WeakPolarHBondContact OG-CA 3.49Å; S403-G441 PolarHBondContact OG-N 3.37Å; G441-M520 VanDerWaalsContact O-CG 3.29Å; G441-M520 WeakPolarHBondContact O-CG 3.25Å
442R91.2Very high92Very high30 Ų3021.5 Ų21.511%0.11313%0.133CC..  trans-115.3158.3173.9-53.9-173.6-62.1167.77.2109.1D437 S439 Y514 D516 M520D437-R442 IonicContact OD1-NH2 3.46Å; D437-R442 IonicContact OD2-NH2 3.1Å; D437-R442 PolarHBondContact OD2-NH2 3.39Å; S439-R442 VanDerWaalsContact CB-NH2 3.34Å; S439-R442 VanDerWaalsContact OG-CZ 3.31Å; S439-R442 PolarHBondContact OG-NE 2.95Å; S439-R442 PolarHBondContact OG-NH2 3.36Å; R442-Y514 HydrophobicContact CG-CD2 4.48Å; R442-Y514 HydrophobicContact CG-CE2 4.2Å; R442-D516 IonicContact CZ-OD2 2.63Å; R442-D516 VanDerWaalsContact NH1-CG 3.3Å; R442-D516 IonicContact NH1-OD1 3.13Å; R442-D516 PolarHBondContact NH1-OD1 2.88Å; R442-D516 VanDerWaalsContact NH1-OD1 3.1Å; R442-D516 IonicContact NH1-OD2 2.71Å; R442-D516 PolarHBondContact NH1-OD2 3.4Å; R442-D516 IonicContact NH2-OD2 3.59Å; R442-D516 PolarHBondContact NH2-OD2 3.18Å; R442-D516 VanDerWaalsContact NH2-OD2 3.16Å; R442-M520 HydrophobicContact CG-CB 4.41Å
443V92.5Very high92Very high9 Ų923.2 Ų23.26%0.05514%0.14CC..  trans-104.10-179.5-65.40000113.6Q419 T431 I432 T433 L519 I521Q419-V443 HydrophobicContact CB-CG1 4.17Å; Q419-V443 VanDerWaalsContact O-O 3.04Å; T431-V443 CarbonylContact C-O 3.51Å; T431-V443 WeakPolarHBondContact OG1-CB 3.37Å; T431-V443 WeakPolarHBondContact OG1-CG2 3.22Å; T431-V443 PolarHBondContact OG1-O 2.95Å; T431-V443 VanDerWaalsContact OG1-O 3.11Å; I432-V443 CarbonylContact C-O 3.52Å; I432-V443 VanDerWaalsContact C-O 3.3Å; I432-V443 WeakPolarHBondContact CA-O 3.37Å; I432-V443 PolarHBondContact N-O 2.86Å; T433-V443 PolarHBondContact N-O 3.47Å; T433-V443 VanDerWaalsContact N-O 3.16Å; V443-L519 HydrophobicContact CG2-CB 3.9Å; V443-L519 HydrophobicContact CG2-CD2 4.17Å; V443-L519 HydrophobicContact CG2-CG 4.1Å; V443-L519 VanDerWaalsContact CG2-O 3.22Å; V443-L519 WeakPolarHBondContact CG2-O 3.29Å; V443-L519 PolarHBondContact N-O 2.93Å; V443-I521 HydrophobicContact CG1-CG1 3.88Å; V443-I521 HydrophobicContact CG2-CD1 4.03Å; V443-I521 HydrophobicContact CG2-CG1 3.96Å
444G94.4Very high92.1Very high0 Ų023.4 Ų23.40%014%0.141CC..BIsolated β-bridgetrans96.6-174.9176.200000113.3C518 L519G444-C518 WeakPolarHBondContact O-CA 3.4Å; G444-L519 PolarHBondContact O-N 3.13Å
445A95.4Very high92.2Very high0 Ų025.9 Ų25.90%015%0.148CC..EExtended strand (participates in β ladder)trans-84.3160.1177.500000111.6K2 A3 T431 L447K2-A445 HydrophobicContact CB-CB 3.77Å; A3-A445 HydrophobicContact CB-CB 4.04Å; T431-A445 WeakPolarHBondContact CA-O 3.28Å; T431-A445 VanDerWaalsContact CB-O 3.27Å; T431-A445 WeakPolarHBondContact CB-O 3.27Å; A445-L447 PolarHBondContact O-N 3.2Å
446P97.1Very high92.5Very high2 Ų227.1 Ų27.11%0.01315%0.153CC..EExtended strand (participates in β ladder)trans-44.1136.3169.2-28.132.1000112.6A3 G430 I452A3-P446 HydrophobicContact CB-CG 4.16Å; G430-P446 WeakPolarHBondContact O-CA 3.4Å; P446-I452 HydrophobicContact CB-CD1 4.32Å; P446-I452 HydrophobicContact CB-CG1 4.3Å; P446-I452 HydrophobicContact CG-CB 4.27Å; P446-I452 HydrophobicContact CG-CD1 3.93Å; P446-I452 HydrophobicContact CG-CG1 4Å
447L97.4Very high92.8Very high0 Ų024.6 Ų24.60%013%0.125CC..  trans-69154170.4-64-178.9000110.3G256 Q257 R260 A429 G430 I432 A445 C449 C450G256-L447 WeakPolarHBondContact O-CD2 3.27Å; Q257-L447 HydrophobicContact CG-CD1 3.98Å; R260-L447 HydrophobicContact CG-CD2 3.73Å; A429-L447 HydrophobicContact CB-CD1 3.87Å; G430-L447 PolarHBondContact O-N 3.22Å; I432-L447 HydrophobicContact CB-CD2 3.84Å; I432-L447 HydrophobicContact CD1-CD1 4.27Å; I432-L447 HydrophobicContact CD1-CD2 4.23Å; I432-L447 HydrophobicContact CG1-CD1 4.29Å; I432-L447 HydrophobicContact CG1-CD2 3.94Å; A445-L447 PolarHBondContact O-N 3.2Å; L447-C449 PolarHBondContact O-N 3.22Å; L447-C450 PolarHBondContact O-N 2.93Å
448I97.1Very high92.6Very high7 Ų727.5 Ų27.54%0.03615%0.152CC..THydrogen-bonded Turntrans-62.2-17.5-176.759.3164.5000114.1H19 L23 A24 T255 E259H19-I448 HydrophobicContact CB-CB 3.83Å; H19-I448 HydrophobicContact CB-CG2 3.87Å; L23-I448 WeakPolarHBondContact CA-O 3.32Å; A24-I448 HydrophobicContact CB-CB 4.32Å; A24-I448 HydrophobicContact CB-CD1 3.65Å; A24-I448 HydrophobicContact CB-CG1 3.9Å; A24-I448 PolarHBondContact N-O 3.36Å; T255-I448 HydrophobicContact CG2-CD1 4.29Å; E259-I448 HydrophobicContact CB-CD1 4.07Å; E259-I448 HydrophobicContact CG-CD1 4.05Å
449C97Very high92.5Very high0 Ų030 Ų300%016%0.162CC..THydrogen-bonded Turntrans-87.1-5.6178.268.30000114.1A24 A252 L447 P479 N480A24-C449 WeakPolarHBondContact O-CA 3.35Å; A24-C449 WeakPolarHBondContact O-CB 3.27Å; A252-C449 WeakPolarHBondContact O-CB 3.26Å; A252-C449 PolarHBondContact O-SG 3.15Å; L447-C449 PolarHBondContact O-N 3.22Å; C449-P479 VanDerWaalsContact O-CD 3.23Å; C449-P479 WeakPolarHBondContact O-CD 3.47Å; C449-P479 WeakPolarHBondContact O-CG 3.5Å; C449-N480 PolarHBondContact O-OD1 3.48Å
450C96.9Very high91.9Very high0 Ų028.8 Ų28.80%015%0.154CC..  trans-146166.8-174.568.80000113.3G430 L447 I476 G477 N480G430-C450 PolarHBondContact O-SG 2.8Å; L447-C450 PolarHBondContact O-N 2.93Å; C450-I476 HydrophobicContact CB-CG2 4.09Å; C450-G477 CarbonylContact C-O 3.56Å; C450-G477 VanDerWaalsContact CA-O 3.28Å; C450-G477 WeakPolarHBondContact CA-O 3.31Å; C450-G477 WeakPolarHBondContact CB-O 3.35Å; C450-N480 WeakPolarHBondContact CB-OD1 3.27Å
451E96.3Very high91.6Very high11 Ų1129.7 Ų29.75%0.05117%0.168CC..EExtended strand (participates in β ladder)trans-129.9155.517350.5178.1-146.800111.2P13 Y14 R15 L23 G477 W504P13-E451 HydrophobicContact CB-CB 4.19Å; P13-E451 HydrophobicContact CB-CG 4.38Å; Y14-E451 VanDerWaalsContact O-CA 3.29Å; Y14-E451 WeakPolarHBondContact O-CA 3.43Å; Y14-E451 WeakPolarHBondContact O-CB 3.42Å; R15-E451 IonicContact CZ-OE2 2.68Å; R15-E451 IonicContact NE-OE2 3.53Å; R15-E451 PolarHBondContact NE-OE2 2.85Å; R15-E451 IonicContact NH2-OE2 2.78Å; R15-E451 PolarHBondContact NH2-OE2 3.49Å; L23-E451 HydrophobicContact CD1-CG 4.3Å; E451-G477 PolarHBondContact N-O 2.75Å; E451-G477 PolarHBondContact O-N 3.44Å; E451-W504 HydrophobicContact CB-CH2 4.48Å; E451-W504 HydrophobicContact CG-CH2 3.63Å; E451-W504 HydrophobicContact CG-CZ2 4.24Å; E451-W504 HydrophobicContact CG-CZ3 4.37Å; E451-W504 VanDerWaalsContact OE1-CH2 3.24Å; E451-W504 WeakPolarHBondContact OE1-CH2 3.33Å; E451-W504 WeakPolarHBondContact OE1-CZ2 3.38Å
452I96.8Very high91.8Very high3 Ų329.6 Ų29.62%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-123.4129.9-173-63.2-173.3000110.9P13 Y14 T431 P446 I474 L475 I476 L519P13-I452 CarbonylContact C-O 3.52Å; P13-I452 WeakPolarHBondContact CA-O 3.48Å; Y14-I452 WeakPolarHBondContact CD2-O 3.2Å; Y14-I452 PolarHBondContact N-O 3.03Å; Y14-I452 PolarHBondContact O-N 2.68Å; T431-I452 HydrophobicContact CG2-CD1 3.43Å; T431-I452 VanDerWaalsContact CG2-CD1 3.43Å; P446-I452 HydrophobicContact CB-CD1 4.32Å; P446-I452 HydrophobicContact CB-CG1 4.3Å; P446-I452 HydrophobicContact CG-CB 4.27Å; P446-I452 HydrophobicContact CG-CD1 3.93Å; P446-I452 HydrophobicContact CG-CG1 4Å; I452-I474 HydrophobicContact CG2-CG2 3.89Å; I452-L475 CarbonylContact C-O 3.57Å; I452-L475 VanDerWaalsContact CA-O 3.31Å; I452-L475 WeakPolarHBondContact CA-O 3.5Å; I452-I476 HydrophobicContact CG1-CG1 4.43Å; I452-L519 HydrophobicContact CD1-CD2 4.1Å
453K95.6Very high91.7Very high47 Ų4730.2 Ų30.220%0.20417%0.168CC..EExtended strand (participates in β ladder)trans-111.9153.8168.7-72173.3179.9167.30110.5E11 P13 L475 D498 W504E11-K453 WeakPolarHBondContact O-CA 3.38Å; P13-K453 HydrophobicContact CB-CD 4.45Å; P13-K453 HydrophobicContact CB-CG 3.8Å; P13-K453 HydrophobicContact CG-CD 4.49Å; P13-K453 VanDerWaalsContact CG-CE 3.42Å; P13-K453 HydrophobicContact CG-CG 4.29Å; K453-L475 HydrophobicContact CB-CB 4.17Å; K453-L475 HydrophobicContact CB-CD1 4.38Å; K453-L475 PolarHBondContact N-O 2.73Å; K453-L475 PolarHBondContact O-N 3.17Å; K453-D498 IonicContact NZ-OD2 3.25Å; K453-W504 HydrophobicContact CB-CH2 4.45Å; K453-W504 HydrophobicContact CB-CZ3 4.01Å; K453-W504 HydrophobicContact CD-CD2 4.34Å; K453-W504 HydrophobicContact CD-CE3 4.12Å; K453-W504 HydrophobicContact CD-CH2 3.46Å; K453-W504 VanDerWaalsContact CD-CH2 3.46Å; K453-W504 HydrophobicContact CD-CZ2 3.66Å; K453-W504 HydrophobicContact CD-CZ3 3.68Å; K453-W504 HydrophobicContact CG-CE3 4.43Å; K453-W504 HydrophobicContact CG-CH2 3.58Å; K453-W504 HydrophobicContact CG-CZ2 4.29Å; K453-W504 HydrophobicContact CG-CZ3 3.64Å
454L95.5Very high91.5Very high7 Ų729.9 Ų29.94%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-105.2124.2167.2-64.2-179.2000109E11 P470 E473 I474 V513E11-L454 PolarHBondContact O-N 3.09Å; L454-P470 HydrophobicContact CD1-CB 3.73Å; L454-E473 CarbonylContact C-O 3.6Å; L454-E473 WeakPolarHBondContact CA-O 3.39Å; L454-I474 HydrophobicContact CD2-CG1 4.42Å; L454-V513 HydrophobicContact CD1-CB 4.34Å; L454-V513 HydrophobicContact CD1-CG2 3.79Å; L454-V513 HydrophobicContact CD2-CG2 4.19Å; L454-V513 HydrophobicContact CG-CG2 4.12Å
455R94.7Very high91.3Very high98 Ų9837.9 Ų37.937%0.3720%0.201SC..EExtended strand (participates in β ladder)trans-102.8124.7170.8176.2169.668.1-171.42.1109.6W457 E473 L475 C506R455-W457 PolarHBondContact O-N 2.63Å; R455-E473 HydrophobicContact CB-CB 4.29Å; R455-E473 IonicContact CZ-OE2 3.31Å; R455-E473 PolarHBondContact N-O 3.33Å; R455-E473 IonicContact NE-OE2 3.29Å; R455-E473 PolarHBondContact NE-OE2 3.35Å; R455-E473 IonicContact NH2-OE1 2.8Å; R455-E473 PolarHBondContact NH2-OE1 3.2Å; R455-E473 VanDerWaalsContact NH2-OE1 3.08Å; R455-E473 IonicContact NH2-OE2 3.55Å; R455-E473 PolarHBondContact NH2-OE2 3.43Å; R455-E473 PolarHBondContact O-N 2.82Å; R455-L475 HydrophobicContact CB-CD1 3.93Å; R455-L475 HydrophobicContact CB-CD2 4.42Å; R455-L475 HydrophobicContact CB-CG 4.15Å; R455-C506 PolarHBondContact NH1-SG 3.04Å; R455-C506 VanDerWaalsContact NH1-SG 3.42Å; R455-C506 PolarHBondContact NH2-SG 3.47Å
456D93.8Very high90.9Very high78 Ų7839.3 Ų39.342%0.41721%0.209SC..  trans-54.3139.2176.2-71.72000110.8S464D456-S464 VanDerWaalsContact OD1-CB 3.3Å; D456-S464 WeakPolarHBondContact OD1-CB 3.3Å; D456-S464 PolarHBondContact OD1-N 3.08Å; D456-S464 PolarHBondContact OD1-OG 3.35Å
457W91.1Very high90.3Very high36 Ų3647.9 Ų47.914%0.13625%0.248CC..BIsolated β-bridgetrans-124.485.5175.7-174.936.9000109.3R455 E459 G460 G461 Y462 I510 K525 L528R455-W457 PolarHBondContact O-N 2.63Å; W457-E459 VanDerWaalsContact C-N 3.31Å; W457-E459 PolarHBondContact NE1-OE2 3.04Å; W457-E459 PolarHBondContact O-N 3.41Å; W457-G460 PolarHBondContact O-N 2.8Å; W457-G460 VanDerWaalsContact O-N 3.13Å; W457-G461 PolarHBondContact O-N 2.92Å; W457-G461 VanDerWaalsContact O-N 3.12Å; W457-Y462 CarbonylContact C-O 3.53Å; W457-Y462 AromaticContact CE3-CD2 3.69Å; W457-Y462 HydrophobicContact CE3-CD2 3.69Å; W457-Y462 HydrophobicContact CE3-CE2 4.19Å; W457-Y462 HydrophobicContact CZ3-CD2 4.06Å; W457-Y462 HydrophobicContact CZ3-CE2 4.08Å; W457-Y462 PolarHBondContact N-O 3.18Å; W457-Y462 PolarHBondContact O-N 3.17Å; W457-I510 HydrophobicContact CB-CD1 4.41Å; W457-I510 HydrophobicContact CD2-CD1 4.31Å; W457-I510 HydrophobicContact CE3-CD1 3.64Å; W457-I510 HydrophobicContact CE3-CG1 3.97Å; W457-I510 HydrophobicContact CZ3-CD1 4.36Å; W457-I510 HydrophobicContact CZ3-CG1 4.24Å; W457-K525 HydrophobicContact CD2-CD 4.19Å; W457-K525 HydrophobicContact CD2-CG 4.19Å; W457-K525 HydrophobicContact CE3-CG 4.04Å; W457-K525 HydrophobicContact CH2-CB 4.31Å; W457-K525 HydrophobicContact CH2-CG 4.27Å; W457-K525 HydrophobicContact CZ2-CG 4.41Å; W457-K525 HydrophobicContact CZ3-CG 4.09Å; W457-L528 HydrophobicContact CH2-CB 4.48Å; W457-L528 HydrophobicContact CH2-CD1 4.47Å; W457-L528 HydrophobicContact CZ3-CB 4.46Å; W457-L528 HydrophobicContact CZ3-CD1 3.69Å
458A82.9Confident89.9Confident85 Ų8553.2 Ų53.270%0.70228%0.283SS*.G310 helixtrans-59.8-37.5-173.800000112.7G460 G461A458-G460 VanDerWaalsContact C-N 3.28Å; A458-G460 PolarHBondContact O-N 3.16Å; A458-G461 PolarHBondContact O-N 2.89Å
459E78.9Confident89.7Confident140 Ų14054.6 Ų54.665%0.65429%0.289SS*.G310 helixtrans-63.6-36.6178.7-57.593.9165.500112W457 Y536W457-E459 VanDerWaalsContact C-N 3.31Å; W457-E459 PolarHBondContact NE1-OE2 3.04Å; W457-E459 PolarHBondContact O-N 3.41Å; E459-Y536 PolarHBondContact O-OH 3.47Å
460G74.9Confident89.5Confident4 Ų455.8 Ų55.84%0.04130%0.297CS..G310 helixtrans-83-8.9177.900000114.9W457 A458 Y462W457-G460 PolarHBondContact O-N 2.8Å; W457-G460 VanDerWaalsContact O-N 3.13Å; A458-G460 VanDerWaalsContact C-N 3.28Å; A458-G460 PolarHBondContact O-N 3.16Å; G460-Y462 VanDerWaalsContact C-N 3.31Å; G460-Y462 WeakPolarHBondContact O-CD2 3.24Å; G460-Y462 VanDerWaalsContact O-CE2 3.25Å; G460-Y462 WeakPolarHBondContact O-CE2 3.35Å
461G81.3Confident89.3Confident44 Ų4459.4 Ų59.445%0.45431%0.311SS..THydrogen-bonded Turntrans68.427.9-175.100000113.9W457 A458W457-G461 PolarHBondContact O-N 2.92Å; W457-G461 VanDerWaalsContact O-N 3.12Å; A458-G461 PolarHBondContact O-N 2.89Å
462Y87.4Confident89.2Confident21 Ų2158.9 Ų58.98%0.08231%0.308CS..BIsolated β-bridgetrans-107.4122.1175.9-64.1-83.4000109.8W457 G460 R471 I510 V522 L528W457-Y462 CarbonylContact C-O 3.53Å; W457-Y462 AromaticContact CE3-CD2 3.69Å; W457-Y462 HydrophobicContact CE3-CD2 3.69Å; W457-Y462 HydrophobicContact CE3-CE2 4.19Å; W457-Y462 HydrophobicContact CZ3-CD2 4.06Å; W457-Y462 HydrophobicContact CZ3-CE2 4.08Å; W457-Y462 PolarHBondContact N-O 3.18Å; W457-Y462 PolarHBondContact O-N 3.17Å; G460-Y462 VanDerWaalsContact C-N 3.31Å; G460-Y462 WeakPolarHBondContact O-CD2 3.24Å; G460-Y462 VanDerWaalsContact O-CE2 3.25Å; G460-Y462 WeakPolarHBondContact O-CE2 3.35Å; Y462-R471 HydrophobicContact CD1-CB 3.99Å; Y462-I510 HydrophobicContact CD1-CG2 3.82Å; Y462-I510 HydrophobicContact CD2-CG2 4.26Å; Y462-I510 HydrophobicContact CE1-CG2 4.1Å; Y462-I510 HydrophobicContact CG-CG2 3.91Å; Y462-V522 HydrophobicContact CE1-CG1 4.3Å; Y462-L528 HydrophobicContact CE2-CD1 3.89Å
463T88.8Confident89.2Confident42 Ų4259 Ų5926%0.25831%0.309SS..  trans-132.3149.2179.5810000111.8K465 D466 R471T463-K465 PolarHBondContact O-N 3.39Å; T463-K465 PolarHBondContact OG1-N 2.85Å; T463-D466 PolarHBondContact N-OD1 3.21Å; T463-D466 PolarHBondContact N-OD2 2.85Å; T463-D466 VanDerWaalsContact O-CB 3.25Å; T463-D466 WeakPolarHBondContact O-CB 3.36Å; T463-D466 PolarHBondContact O-N 3.14Å; T463-D466 PolarHBondContact OG1-N 3.44Å; T463-D466 PolarHBondContact OG1-OD1 3.15Å; T463-R471 CarbonylContact C-O 3.17Å; T463-R471 WeakPolarHBondContact CA-O 3.36Å; T463-R471 PolarHBondContact N-O 3.3Å; T463-R471 PolarHBondContact O-N 3.33Å; T463-R471 VanDerWaalsContact O-N 3.09Å
464S88.4Confident89.2Confident3 Ų356.8 Ų56.82%0.02130%0.299CS..THydrogen-bonded Turntrans-60.8-11.617452.30000112.9P10 D456 P470 R471P10-S464 VanDerWaalsContact CB-O 3.3Å; P10-S464 WeakPolarHBondContact CB-O 3.35Å; D456-S464 VanDerWaalsContact OD1-CB 3.3Å; D456-S464 WeakPolarHBondContact OD1-CB 3.3Å; D456-S464 PolarHBondContact OD1-N 3.08Å; D456-S464 PolarHBondContact OD1-OG 3.35Å; S464-P470 VanDerWaalsContact O-CB 3.29Å; S464-P470 WeakPolarHBondContact O-CB 3.42Å; S464-R471 PolarHBondContact N-O 3.2Å
465K89.3Confident89.3Confident168 Ų16856.9 Ų56.973%0.7330%0.3SS*.THydrogen-bonded Turntrans-98.72.6176.9-59.4177.9-176.2173.10113.4T463T463-K465 PolarHBondContact O-N 3.39Å; T463-K465 PolarHBondContact OG1-N 2.85Å
466D87.2Confident89.4Confident30 Ų3052.2 Ų52.216%0.1628%0.282CS..  trans-62145.4178.6-69.5-9.7000111.3T463 H469 R471T463-D466 PolarHBondContact N-OD1 3.21Å; T463-D466 PolarHBondContact N-OD2 2.85Å; T463-D466 VanDerWaalsContact O-CB 3.25Å; T463-D466 WeakPolarHBondContact O-CB 3.36Å; T463-D466 PolarHBondContact O-N 3.14Å; T463-D466 PolarHBondContact OG1-N 3.44Å; T463-D466 PolarHBondContact OG1-OD1 3.15Å; D466-H469 CarbonylContact C-O 3.57Å; D466-H469 CarbonylContact O-C 2.78Å; D466-R471 HydrophobicContact CB-CB 4.48Å; D466-R471 HydrophobicContact CB-CG 4.37Å; D466-R471 IonicContact OD2-CZ 3.42Å; D466-R471 IonicContact OD2-NE 3.57Å; D466-R471 PolarHBondContact OD2-NE 3.38Å; D466-R471 IonicContact OD2-NH2 3.5Å; D466-R471 PolarHBondContact OD2-NH2 3.09Å
467E85.9Confident89.6Confident181 Ų18148.5 Ų48.585%0.84626%0.262SS*.SBendtrans-111145.4173.7-69.8-170.2175.500110.4
468P87.9Confident89.9Confident113 Ų11346.9 Ų46.973%0.73426%0.257SS*.SBendcis-79-127.432.6-36.5000114.7
469H92.3Very high90.5Very high35 Ų3544.7 Ų44.716%0.16224%0.236CC..SBendtrans-137145.7-174.4-54.9137.6000111.5D466 E512 V513 Y514D466-H469 CarbonylContact C-O 3.57Å; D466-H469 CarbonylContact O-C 2.78Å; H469-E512 HydrophobicContact CB-CG 3.6Å; H469-E512 WeakPolarHBondContact CB-OE1 3.34Å; H469-E512 IonicContact CE1-OE1 3.45Å; H469-E512 IonicContact CG-OE1 2.68Å; H469-E512 IonicContact ND1-OE1 3.08Å; H469-E512 PolarHBondContact ND1-OE1 3.5Å; H469-V513 WeakPolarHBondContact CB-O 3.47Å; H469-Y514 AromaticContact CE1-CD1 3.57Å; H469-Y514 AromaticContact CE1-CE1 3.38Å; H469-Y514 WeakPolarHBondContact CE1-CE1 3.21Å; H469-Y514 AromaticContact CE1-CZ 3.99Å; H469-Y514 AromaticContact ND1-CE1 3.82Å
470P93.3Very high91.4Very high26 Ų2638 Ų3817%0.16920%0.204CC..  trans-57.6135.8175.6-24.634.9000112.2P10 L454 S464 E512 V513P10-P470 HydrophobicContact CB-CB 4.18Å; P10-P470 HydrophobicContact CB-CG 3.8Å; L454-P470 HydrophobicContact CD1-CB 3.73Å; S464-P470 VanDerWaalsContact O-CB 3.29Å; S464-P470 WeakPolarHBondContact O-CB 3.42Å; P470-E512 WeakPolarHBondContact O-CA 3.34Å; P470-V513 WeakPolarHBondContact CD-O 3.29Å; P470-V513 PolarHBondContact O-N 3.04Å
471R93.6Very high92.4Very high75 Ų7538 Ų3828%0.28320%0.204SC..EExtended strand (participates in β ladder)trans-129.8154.3176.7-58.4-178.5-58.2176.45.3112Y462 T463 S464 D466 G511 E512Y462-R471 HydrophobicContact CD1-CB 3.99Å; T463-R471 CarbonylContact C-O 3.17Å; T463-R471 WeakPolarHBondContact CA-O 3.36Å; T463-R471 PolarHBondContact N-O 3.3Å; T463-R471 PolarHBondContact O-N 3.33Å; T463-R471 VanDerWaalsContact O-N 3.09Å; S464-R471 PolarHBondContact N-O 3.2Å; D466-R471 HydrophobicContact CB-CB 4.48Å; D466-R471 HydrophobicContact CB-CG 4.37Å; D466-R471 IonicContact OD2-CZ 3.42Å; D466-R471 IonicContact OD2-NE 3.57Å; D466-R471 PolarHBondContact OD2-NE 3.38Å; D466-R471 IonicContact OD2-NH2 3.5Å; D466-R471 PolarHBondContact OD2-NH2 3.09Å; R471-G511 VanDerWaalsContact CA-O 3.24Å; R471-G511 WeakPolarHBondContact CA-O 3.47Å; R471-E512 HydrophobicContact CG-CB 3.97Å; R471-E512 HydrophobicContact CG-CG 3.88Å
472G93.9Very high93.1Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans169.1-179176.300000112.2I474 I510 G511G472-I474 PolarHBondContact O-N 3.03Å; G472-I510 CarbonylContact O-C 3.54Å; G472-I510 WeakPolarHBondContact O-CA 3.22Å; G472-G511 PolarHBondContact N-O 3.4Å; G472-G511 PolarHBondContact O-N 3.27Å
473E95.5Very high93.4Very high7 Ų739.5 Ų39.53%0.03320%0.201CC..EExtended strand (participates in β ladder)trans-66.5129.5169.4-176.1-177.8-164.900110.6L454 R455 L475 G508 D509 I510 K525L454-E473 CarbonylContact C-O 3.6Å; L454-E473 WeakPolarHBondContact CA-O 3.39Å; R455-E473 HydrophobicContact CB-CB 4.29Å; R455-E473 IonicContact CZ-OE2 3.31Å; R455-E473 PolarHBondContact N-O 3.33Å; R455-E473 IonicContact NE-OE2 3.29Å; R455-E473 PolarHBondContact NE-OE2 3.35Å; R455-E473 IonicContact NH2-OE1 2.8Å; R455-E473 PolarHBondContact NH2-OE1 3.2Å; R455-E473 VanDerWaalsContact NH2-OE1 3.08Å; R455-E473 IonicContact NH2-OE2 3.55Å; R455-E473 PolarHBondContact NH2-OE2 3.43Å; R455-E473 PolarHBondContact O-N 2.82Å; E473-L475 HydrophobicContact CG-CD2 4.27Å; E473-L475 PolarHBondContact O-N 3.38Å; E473-G508 PolarHBondContact OE1-N 3.36Å; E473-D509 WeakPolarHBondContact CA-O 3Å; E473-I510 HydrophobicContact CB-CD1 4.12Å; E473-K525 IonicContact OE1-NZ 3.18Å; E473-K525 IonicContact OE2-NZ 2.74Å; E473-K525 PolarHBondContact OE2-NZ 2.59Å
474I96.6Very high93.6Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-75.8125.5177.5-59154.6000108.5Y421 I452 L454 G472 I476 T507 D509 L519 I521Y421-I474 HydrophobicContact CE1-CD1 4.19Å; Y421-I474 HydrophobicContact CE1-CG2 4.1Å; I452-I474 HydrophobicContact CG2-CG2 3.89Å; L454-I474 HydrophobicContact CD2-CG1 4.42Å; G472-I474 PolarHBondContact O-N 3.03Å; I474-I476 HydrophobicContact CG2-CG1 4.17Å; I474-T507 HydrophobicContact CB-CG2 4.41Å; I474-T507 HydrophobicContact CG2-CG2 4.24Å; I474-T507 WeakPolarHBondContact O-CB 3.44Å; I474-T507 VanDerWaalsContact O-CG2 3.23Å; I474-T507 WeakPolarHBondContact O-CG2 3.47Å; I474-T507 PolarHBondContact O-N 3.13Å; I474-T507 PolarHBondContact O-OG1 3.33Å; I474-D509 HydrophobicContact CD1-CB 4.31Å; I474-D509 PolarHBondContact N-O 3.32Å; I474-L519 HydrophobicContact CD1-CD1 4.35Å; I474-L519 HydrophobicContact CD1-CD2 3.85Å; I474-L519 HydrophobicContact CD1-CG 4.45Å; I474-L519 HydrophobicContact CG1-CD1 4.24Å; I474-L519 HydrophobicContact CG1-CD2 4.22Å; I474-L519 HydrophobicContact CG2-CD2 4.31Å; I474-I521 HydrophobicContact CD1-CD1 3.46Å; I474-I521 VanDerWaalsContact CD1-CD1 3.46Å
475L97Very high93.8Very high8 Ų838 Ų384%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-112133167.6-48.6-179.1000108.6I452 K453 R455 E473 F496 W504 F505 C506I452-L475 CarbonylContact C-O 3.57Å; I452-L475 VanDerWaalsContact CA-O 3.31Å; I452-L475 WeakPolarHBondContact CA-O 3.5Å; K453-L475 HydrophobicContact CB-CB 4.17Å; K453-L475 HydrophobicContact CB-CD1 4.38Å; K453-L475 PolarHBondContact N-O 2.73Å; K453-L475 PolarHBondContact O-N 3.17Å; R455-L475 HydrophobicContact CB-CD1 3.93Å; R455-L475 HydrophobicContact CB-CD2 4.42Å; R455-L475 HydrophobicContact CB-CG 4.15Å; E473-L475 HydrophobicContact CG-CD2 4.27Å; E473-L475 PolarHBondContact O-N 3.38Å; L475-F496 HydrophobicContact CD1-CE1 4.07Å; L475-F496 HydrophobicContact CD1-CZ 4Å; L475-W504 HydrophobicContact CB-CE3 3.93Å; L475-W504 HydrophobicContact CB-CZ3 4.48Å; L475-F505 WeakPolarHBondContact CA-O 3.39Å; L475-C506 HydrophobicContact CD2-CB 3.99Å
476I97.9Very high93.8Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-110.4125.9177.7-62.8174000108.6Y421 T426 C450 I452 I474 V481 W504 F505 T507Y421-I476 HydrophobicContact CE1-CD1 3.93Å; T426-I476 HydrophobicContact CG2-CB 3.98Å; T426-I476 HydrophobicContact CG2-CD1 3.94Å; T426-I476 HydrophobicContact CG2-CG2 3.94Å; C450-I476 HydrophobicContact CB-CG2 4.09Å; I452-I476 HydrophobicContact CG1-CG1 4.43Å; I474-I476 HydrophobicContact CG2-CG1 4.17Å; I476-V481 HydrophobicContact CG2-CG2 4.46Å; I476-V481 WeakPolarHBondContact O-CG2 3.29Å; I476-W504 CarbonylContact O-C 3.56Å; I476-W504 WeakPolarHBondContact O-CA 3.13Å; I476-F505 PolarHBondContact N-O 2.88Å; I476-F505 PolarHBondContact O-N 3.14Å; I476-T507 HydrophobicContact CD1-CG2 3.97Å; I476-T507 HydrophobicContact CG1-CG2 4.04Å
477G97.3Very high93.6Very high0 Ų033.8 Ų33.80%019%0.19CC..EExtended strand (participates in β ladder)trans-117.9140.5174.900000110.4C450 E451 R503 W504C450-G477 CarbonylContact C-O 3.56Å; C450-G477 VanDerWaalsContact CA-O 3.28Å; C450-G477 WeakPolarHBondContact CA-O 3.31Å; C450-G477 WeakPolarHBondContact CB-O 3.35Å; E451-G477 PolarHBondContact N-O 2.75Å; E451-G477 PolarHBondContact O-N 3.44Å; G477-R503 WeakPolarHBondContact CA-O 3.36Å; G477-W504 VanDerWaalsContact N-CE3 3.33Å; G477-W504 VanDerWaalsContact N-CZ3 3.34Å
478G96.5Very high93.3Very high3 Ų329.4 Ų29.43%0.03117%0.169CC..SBendtrans157.5173.7173.100000113.7N480 V481 Q502G478-N480 PolarHBondContact O-N 2.72Å; G478-V481 WeakPolarHBondContact O-CB 3.49Å; G478-V481 WeakPolarHBondContact O-CG2 3.45Å; G478-V481 PolarHBondContact O-N 3.26Å; G478-V481 VanDerWaalsContact O-N 3.13Å; G478-Q502 VanDerWaalsContact CA-NE2 3.32Å
479P96.3Very high91.8Very high38 Ų3831.7 Ų31.725%0.24718%0.176CC..THydrogen-bonded Turntrans-57.5-22.417324.3-38.1000114.2I25 N249 A252 C449 V481I25-P479 HydrophobicContact CG2-CB 3.98Å; I25-P479 HydrophobicContact CG2-CG 3.88Å; N249-P479 WeakPolarHBondContact CA-O 3.39Å; N249-P479 PolarHBondContact ND2-O 2.98Å; A252-P479 HydrophobicContact CB-CB 3.74Å; A252-P479 HydrophobicContact CB-CG 3.78Å; C449-P479 VanDerWaalsContact O-CD 3.23Å; C449-P479 WeakPolarHBondContact O-CD 3.47Å; C449-P479 WeakPolarHBondContact O-CG 3.5Å; P479-V481 VanDerWaalsContact C-N 3.28Å; P479-V481 PolarHBondContact O-N 3.28Å
480N97.3Very high89.8Confident0 Ų033.8 Ų33.80%021%0.207CC..THydrogen-bonded Turntrans-76.3-9.3176.967.5-58.2000114.2A252 T426 C427 A429 C449 C450 G478 T482A252-N480 HydrophobicContact CB-CB 4.48Å; T426-N480 CarbonylContact C-O 3.59Å; T426-N480 VanDerWaalsContact C-O 3.3Å; T426-N480 PolarHBondContact O-ND2 3.47Å; C427-N480 PolarHBondContact SG-O 3.38Å; A429-N480 HydrophobicContact CB-CB 4.32Å; A429-N480 PolarHBondContact O-ND2 3.49Å; C449-N480 PolarHBondContact O-OD1 3.48Å; C450-N480 WeakPolarHBondContact CB-OD1 3.27Å; G478-N480 PolarHBondContact O-N 2.72Å; N480-T482 PolarHBondContact O-N 3.35Å
481V97.6Very high87.8Confident5 Ų539.7 Ų39.73%0.0324%0.237CC..  trans-73.9124.2179.7179.60000110.4N249 I476 G478 P479 F495 R503 F505N249-V481 PolarHBondContact ND2-O 3.44Å; N249-V481 VanDerWaalsContact ND2-O 3.13Å; I476-V481 HydrophobicContact CG2-CG2 4.46Å; I476-V481 WeakPolarHBondContact O-CG2 3.29Å; G478-V481 WeakPolarHBondContact O-CB 3.49Å; G478-V481 WeakPolarHBondContact O-CG2 3.45Å; G478-V481 PolarHBondContact O-N 3.26Å; G478-V481 VanDerWaalsContact O-N 3.13Å; P479-V481 VanDerWaalsContact C-N 3.28Å; P479-V481 PolarHBondContact O-N 3.28Å; V481-F495 HydrophobicContact CG1-CD1 3.86Å; V481-F495 HydrophobicContact CG1-CE1 3.81Å; V481-R503 HydrophobicContact CG1-CG 3.94Å; V481-F505 HydrophobicContact CG1-CB 3.96Å
482T96.2Very high86.4Confident0 Ų037.8 Ų37.80%023%0.232CC..  trans-70.3170.5-171.559.80000114.4V243 M244 I245 T424 E425 N480 G484 R503V243-T482 HydrophobicContact CG1-CG2 3.79Å; V243-T482 WeakPolarHBondContact CG1-OG1 3.41Å; M244-T482 WeakPolarHBondContact O-CB 3.45Å; I245-T482 HydrophobicContact CB-CG2 4.42Å; I245-T482 HydrophobicContact CD1-CG2 4.37Å; I245-T482 HydrophobicContact CG1-CG2 3.8Å; I245-T482 HydrophobicContact CG2-CG2 4.31Å; T424-T482 WeakPolarHBondContact O-CG2 3.49Å; E425-T482 VanDerWaalsContact C-CG2 3.47Å; E425-T482 VanDerWaalsContact CA-OG1 3.29Å; E425-T482 WeakPolarHBondContact CA-OG1 3.4Å; E425-T482 WeakPolarHBondContact O-CB 3.2Å; E425-T482 VanDerWaalsContact O-CG2 3.24Å; E425-T482 WeakPolarHBondContact O-CG2 3.36Å; E425-T482 PolarHBondContact O-N 3.34Å; E425-T482 PolarHBondContact O-OG1 2.86Å; N480-T482 PolarHBondContact O-N 3.35Å; T482-G484 VanDerWaalsContact C-N 3.29Å; T482-G484 PolarHBondContact O-N 3.49Å; T482-R503 PolarHBondContact O-NE 3.06Å; T482-R503 PolarHBondContact O-NH1 3.19Å; T482-R503 PolarHBondContact O-NH2 3.13Å; T482-R503 VanDerWaalsContact O-NH2 3.15Å
483M93.1Very high85.7Confident95 Ų9546 Ų4647%0.46827%0.271SS..  trans-76.4-9.7-174.3-61.8-51.6-70.800114.9M244 V246 R503M244-M483 HydrophobicContact CB-CB 4.01Å; M244-M483 HydrophobicContact CE-CB 4.44Å; M244-M483 PolarHBondContact O-N 3.5Å; V246-M483 HydrophobicContact CG1-CG 3.67Å; V246-M483 HydrophobicContact CG2-CG 4.32Å; M483-R503 VanDerWaalsContact C-NH1 3.34Å; M483-R503 PolarHBondContact O-NH1 3.48Å; M483-R503 PolarHBondContact O-NH2 3.16Å
484G92.5Very high85.4Confident4 Ų448 Ų484%0.04128%0.282CS..EExtended strand (participates in β ladder)trans116.7-155.8-177.100000111.4M244 T482M244-G484 PolarHBondContact N-O 3.33Å; T482-G484 VanDerWaalsContact C-N 3.29Å; T482-G484 PolarHBondContact O-N 3.49Å
485Y92.4Very high85.2Confident10 Ų1049.1 Ų49.14%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-104.5140.3178.3-52.5-66.1000111.3K241 G242 V243 E425 Q488 N492 D494 F495K241-Y485 HydrophobicContact CB-CD1 3.92Å; K241-Y485 HydrophobicContact CB-CE1 4.33Å; K241-Y485 HydrophobicContact CB-CG 4.4Å; K241-Y485 HydrophobicContact CD-CD1 4.1Å; K241-Y485 HydrophobicContact CD-CD2 4.18Å; K241-Y485 HydrophobicContact CD-CE1 4.08Å; K241-Y485 HydrophobicContact CD-CE2 4.19Å; K241-Y485 HydrophobicContact CD-CG 4.17Å; G242-Y485 CarbonylContact O-C 3.56Å; G242-Y485 VanDerWaalsContact O-CA 3.26Å; G242-Y485 WeakPolarHBondContact O-CA 3.48Å; V243-Y485 HydrophobicContact CG2-CD1 3.96Å; V243-Y485 HydrophobicContact CG2-CE1 3.88Å; E425-Y485 HydrophobicContact CG-CE1 4.14Å; E425-Y485 PolarHBondContact OE1-OH 3.48Å; Y485-Q488 PolarHBondContact O-N 2.9Å; Y485-N492 WeakPolarHBondContact CD2-ND2 3.39Å; Y485-N492 WeakPolarHBondContact CE2-ND2 3.31Å; Y485-N492 WeakPolarHBondContact CE2-OD1 3.39Å; Y485-D494 VanDerWaalsContact CE2-OD2 3.27Å; Y485-D494 WeakPolarHBondContact CE2-OD2 3.37Å; Y485-D494 PolarHBondContact OH-OD2 2.75Å; Y485-F495 HydrophobicContact CE2-CE2 4.34Å
486F90.2Very high85.1Confident45 Ų4552.3 Ų52.320%0.19730%0.3CS..THydrogen-bonded Turntrans-59.8134.4177.7-165.3-88000110.6E150 T151 V230 G242 M244 Q488E150-F486 HydrophobicContact CG-CD1 4.43Å; E150-F486 WeakPolarHBondContact O-CE1 3.48Å; T151-F486 HydrophobicContact CG2-CD1 4.28Å; T151-F486 HydrophobicContact CG2-CE1 4.22Å; V230-F486 HydrophobicContact CG1-CB 3.93Å; V230-F486 HydrophobicContact CG1-CD2 4.11Å; V230-F486 HydrophobicContact CG1-CG 4.16Å; V230-F486 HydrophobicContact CG2-CD2 3.79Å; V230-F486 HydrophobicContact CG2-CE2 4.21Å; G242-F486 PolarHBondContact O-N 3.4Å; M244-F486 HydrophobicContact CG-CB 3.99Å; M244-F486 HydrophobicContact CG-CD2 4.07Å; M244-F486 HydrophobicContact SD-CB 4.34Å; M244-F486 HydrophobicContact SD-CD2 3.99Å; F486-Q488 VanDerWaalsContact C-N 3.26Å; F486-Q488 PolarHBondContact O-N 3.48Å
487G83.3Confident84.8Confident65 Ų6556.7 Ų56.767%0.6733%0.327SS*.THydrogen-bonded Turntrans71.59.917900000115.8
488Q79.2Confident84.6Confident88 Ų8858.2 Ų58.241%0.41134%0.335SS..  trans-119.185176.5-65.8-176.519.100111Y485 F486Y485-Q488 PolarHBondContact O-N 2.9Å; F486-Q488 VanDerWaalsContact C-N 3.26Å; F486-Q488 PolarHBondContact O-N 3.48Å
489D56.3Low84.2Confident162 Ų16267.6 Ų67.687%0.86638%0.378SS*.  trans-85.5122.2176.9-66.8-35.4000111.3
490G50.2Low83.8Confident79 Ų7972.9 Ų72.981%0.81440%0.404SS*.SBendtrans104.9-7.1150.700000119.7
491N49.9Very low83.4Confident150 Ų15075.5 Ų75.580%0.80243%0.431SS*.  trans-154.355.3177.1-139.3-3.3000114.5Q493N491-Q493 PolarHBondContact O-N 2.91Å
492N64.8Low83.1Confident35 Ų3577.3 Ų77.319%0.18744%0.44CS..  trans-92.198.5179.5-157.110.9000109.8Y485 D494 F495Y485-N492 WeakPolarHBondContact CD2-ND2 3.39Å; Y485-N492 WeakPolarHBondContact CE2-ND2 3.31Å; Y485-N492 WeakPolarHBondContact CE2-OD1 3.39Å; N492-D494 PolarHBondContact O-N 3.46Å; N492-F495 HydrophobicContact CB-CD2 4.46Å; N492-F495 WeakPolarHBondContact ND2-CD2 3.46Å; N492-F495 WeakPolarHBondContact ND2-CE2 3.44Å; N492-F495 PolarHBondContact O-N 3.39Å
493Q80.4Confident83Confident172 Ų17280 Ų8080%0.80445%0.45SS*.THydrogen-bonded Turntrans-56.9-15.4179.7-64.2-178.9400113.4N491 F495N491-Q493 PolarHBondContact O-N 2.91Å; Q493-F495 VanDerWaalsContact C-N 3.31Å; Q493-F495 PolarHBondContact O-N 2.68Å
494D89.4Confident83.1Confident49 Ų4975.5 Ų75.526%0.26243%0.427SS..THydrogen-bonded Turntrans-72.6-19.7177.8-62.6-6.9000112.8Y485 N492 F505 C506Y485-D494 VanDerWaalsContact CE2-OD2 3.27Å; Y485-D494 WeakPolarHBondContact CE2-OD2 3.37Å; Y485-D494 PolarHBondContact OH-OD2 2.75Å; N492-D494 PolarHBondContact O-N 3.46Å; D494-F505 HydrophobicContact CB-CD2 4.36Å; D494-F505 HydrophobicContact CB-CE2 3.95Å; D494-F505 WeakPolarHBondContact O-CA 3.46Å; D494-F505 VanDerWaalsContact O-CD2 3.27Å; D494-F505 WeakPolarHBondContact O-CD2 3.06Å; D494-C506 PolarHBondContact O-N 2.74Å
495F92.5Very high83.3Confident23 Ų2375.5 Ų75.510%0.10143%0.426CS..EExtended strand (participates in β ladder)trans-130144-178.6-60.1-96.6000112E425 V481 Y485 N492 Q493 R503 W504 F505E425-F495 HydrophobicContact CB-CE1 4.4Å; E425-F495 HydrophobicContact CB-CZ 3.92Å; E425-F495 HydrophobicContact CG-CZ 4.01Å; V481-F495 HydrophobicContact CG1-CD1 3.86Å; V481-F495 HydrophobicContact CG1-CE1 3.81Å; Y485-F495 HydrophobicContact CE2-CE2 4.34Å; N492-F495 HydrophobicContact CB-CD2 4.46Å; N492-F495 WeakPolarHBondContact ND2-CD2 3.46Å; N492-F495 WeakPolarHBondContact ND2-CE2 3.44Å; N492-F495 PolarHBondContact O-N 3.39Å; Q493-F495 VanDerWaalsContact C-N 3.31Å; Q493-F495 PolarHBondContact O-N 2.68Å; F495-R503 VanDerWaalsContact CD1-NH2 3.31Å; F495-R503 VanDerWaalsContact CG-NH2 3.33Å; F495-W504 WeakPolarHBondContact CA-O 3.15Å; F495-F505 HydrophobicContact CD1-CB 4.09Å; F495-F505 AromaticContact CD1-CD2 3.8Å; F495-F505 HydrophobicContact CD1-CD2 3.8Å; F495-F505 HydrophobicContact CD1-CG 4.4Å; F495-F505 HydrophobicContact CD2-CD2 4.25Å; F495-F505 HydrophobicContact CE1-CB 4.03Å; F495-F505 AromaticContact CE1-CD2 3.43Å; F495-F505 HydrophobicContact CE1-CD2 3.43Å; F495-F505 VanDerWaalsContact CE1-CD2 3.43Å; F495-F505 HydrophobicContact CE1-CE2 4.23Å; F495-F505 HydrophobicContact CE1-CG 4.04Å; F495-F505 AromaticContact CE2-CD2 3.89Å; F495-F505 HydrophobicContact CE2-CD2 3.89Å; F495-F505 HydrophobicContact CE2-CE2 4.03Å; F495-F505 HydrophobicContact CG-CD2 4.22Å; F495-F505 AromaticContact CZ-CD2 3.49Å; F495-F505 HydrophobicContact CZ-CD2 3.49Å; F495-F505 VanDerWaalsContact CZ-CD2 3.49Å; F495-F505 AromaticContact CZ-CE2 3.82Å; F495-F505 HydrophobicContact CZ-CE2 3.82Å; F495-F505 HydrophobicContact CZ-CG 4.43Å
496F93.2Very high83.5Confident76 Ų7675.4 Ų75.433%0.33343%0.427SS..EExtended strand (participates in β ladder)trans-147.2162169.669-85.2000110.6L475 W504L475-F496 HydrophobicContact CD1-CE1 4.07Å; L475-F496 HydrophobicContact CD1-CZ 4Å; F496-W504 HydrophobicContact CD1-CB 3.93Å; F496-W504 HydrophobicContact CD2-CB 4.23Å; F496-W504 HydrophobicContact CD2-CG 4.49Å; F496-W504 HydrophobicContact CE1-CB 3.48Å; F496-W504 VanDerWaalsContact CE1-CB 3.48Å; F496-W504 HydrophobicContact CE1-CG 4.21Å; F496-W504 HydrophobicContact CE2-CB 3.81Å; F496-W504 AromaticContact CE2-CD1 3.62Å; F496-W504 AromaticContact CE2-CG 3.79Å; F496-W504 HydrophobicContact CE2-CG 3.79Å; F496-W504 HydrophobicContact CG-CB 4.28Å; F496-W504 HydrophobicContact CZ-CB 3.41Å; F496-W504 VanDerWaalsContact CZ-CB 3.41Å; F496-W504 AromaticContact CZ-CD1 3.95Å; F496-W504 HydrophobicContact CZ-CD2 4.42Å; F496-W504 AromaticContact CZ-CG 3.63Å; F496-W504 HydrophobicContact CZ-CG 3.63Å; F496-W504 PolarHBondContact N-O 3.03Å; F496-W504 VanDerWaalsContact N-O 3.09Å; F496-W504 PolarHBondContact O-N 3.12Å
497T93.1Very high83.6Confident91 Ų9173.9 Ų73.956%0.55842%0.422SS*.EExtended strand (participates in β ladder)trans-113.4132.8173.4-57.30000108.1G501 Q502T497-G501 VanDerWaalsContact CG2-C 3.43Å; T497-G501 WeakPolarHBondContact CG2-O 3.42Å; T497-Q502 WeakPolarHBondContact CA-O 3.19Å
498D92Very high84Confident33 Ų3372 Ų7218%0.17640%0.401CS..  trans-83177.9177.172.215000112.6K453 N500 G501 Q502 W504K453-D498 IonicContact NZ-OD2 3.25Å; D498-N500 PolarHBondContact O-N 2.78Å; D498-N500 VanDerWaalsContact O-N 3.14Å; D498-N500 WeakPolarHBondContact OD1-CA 3.5Å; D498-N500 WeakPolarHBondContact OD1-CB 3.35Å; D498-N500 PolarHBondContact OD1-N 2.99Å; D498-G501 PolarHBondContact O-N 3.03Å; D498-G501 PolarHBondContact OD1-N 3.41Å; D498-Q502 PolarHBondContact N-O 3.23Å; D498-Q502 WeakPolarHBondContact OD1-CB 3.33Å; D498-Q502 PolarHBondContact OD1-N 3.46Å; D498-W504 PolarHBondContact OD2-NE1 2.51Å
499E89.5Confident84.7Confident199 Ų19968.1 Ų68.193%0.9338%0.384SS*.THydrogen-bonded Turntrans-60.2-22.9-178.3-61.5178.4176.400113.4G501E499-G501 VanDerWaalsContact C-N 3.3Å
500N86.6Confident86.5Confident149 Ų14960.4 Ų60.480%0.79734%0.342SS*.THydrogen-bonded Turntrans-89.33.8178.4-60.3-38.6000112.4D498 Q502D498-N500 PolarHBondContact O-N 2.78Å; D498-N500 VanDerWaalsContact O-N 3.14Å; D498-N500 WeakPolarHBondContact OD1-CA 3.5Å; D498-N500 WeakPolarHBondContact OD1-CB 3.35Å; D498-N500 PolarHBondContact OD1-N 2.99Å; N500-Q502 VanDerWaalsContact C-N 3.26Å; N500-Q502 PolarHBondContact O-N 3.49Å
501G88.8Confident88.5Confident55 Ų5556.6 Ų56.657%0.56730%0.304SS*.SBendtrans78.25.8-176.300000113.9T497 D498 E499 R503T497-G501 VanDerWaalsContact CG2-C 3.43Å; T497-G501 WeakPolarHBondContact CG2-O 3.42Å; D498-G501 PolarHBondContact O-N 3.03Å; D498-G501 PolarHBondContact OD1-N 3.41Å; E499-G501 VanDerWaalsContact C-N 3.3Å; G501-R503 PolarHBondContact O-N 3.46Å
502Q91.9Very high90.6Very high44 Ų4450.8 Ų50.821%0.20627%0.271CS..  trans-76.4125.7177.4178.559.67500109.3G478 T497 D498 N500 W504G478-Q502 VanDerWaalsContact CA-NE2 3.32Å; T497-Q502 WeakPolarHBondContact CA-O 3.19Å; D498-Q502 PolarHBondContact N-O 3.23Å; D498-Q502 WeakPolarHBondContact OD1-CB 3.33Å; D498-Q502 PolarHBondContact OD1-N 3.46Å; N500-Q502 VanDerWaalsContact C-N 3.26Å; N500-Q502 PolarHBondContact O-N 3.49Å; Q502-W504 HydrophobicContact CG-CZ2 4.02Å
503R93.8Very high92.1Very high56 Ų5649.4 Ų49.421%0.21126%0.264CS..EExtended strand (participates in β ladder)trans-79.3134.1172.7-169.7177179.1162.5-0.5110.8G477 V481 T482 M483 F495 G501G477-R503 WeakPolarHBondContact CA-O 3.36Å; V481-R503 HydrophobicContact CG1-CG 3.94Å; T482-R503 PolarHBondContact O-NE 3.06Å; T482-R503 PolarHBondContact O-NH1 3.19Å; T482-R503 PolarHBondContact O-NH2 3.13Å; T482-R503 VanDerWaalsContact O-NH2 3.15Å; M483-R503 VanDerWaalsContact C-NH1 3.34Å; M483-R503 PolarHBondContact O-NH1 3.48Å; M483-R503 PolarHBondContact O-NH2 3.16Å; F495-R503 VanDerWaalsContact CD1-NH2 3.31Å; F495-R503 VanDerWaalsContact CG-NH2 3.33Å; G501-R503 PolarHBondContact O-N 3.46Å
504W96Very high92.8Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-119.8144178.8-66.788.9000111.1P13 E451 K453 L475 I476 G477 F495 F496 D498 Q502P13-W504 HydrophobicContact CB-CH2 3.98Å; E451-W504 HydrophobicContact CB-CH2 4.48Å; E451-W504 HydrophobicContact CG-CH2 3.63Å; E451-W504 HydrophobicContact CG-CZ2 4.24Å; E451-W504 HydrophobicContact CG-CZ3 4.37Å; E451-W504 VanDerWaalsContact OE1-CH2 3.24Å; E451-W504 WeakPolarHBondContact OE1-CH2 3.33Å; E451-W504 WeakPolarHBondContact OE1-CZ2 3.38Å; K453-W504 HydrophobicContact CB-CH2 4.45Å; K453-W504 HydrophobicContact CB-CZ3 4.01Å; K453-W504 HydrophobicContact CD-CD2 4.34Å; K453-W504 HydrophobicContact CD-CE3 4.12Å; K453-W504 HydrophobicContact CD-CH2 3.46Å; K453-W504 VanDerWaalsContact CD-CH2 3.46Å; K453-W504 HydrophobicContact CD-CZ2 3.66Å; K453-W504 HydrophobicContact CD-CZ3 3.68Å; K453-W504 HydrophobicContact CG-CE3 4.43Å; K453-W504 HydrophobicContact CG-CH2 3.58Å; K453-W504 HydrophobicContact CG-CZ2 4.29Å; K453-W504 HydrophobicContact CG-CZ3 3.64Å; L475-W504 HydrophobicContact CB-CE3 3.93Å; L475-W504 HydrophobicContact CB-CZ3 4.48Å; I476-W504 CarbonylContact O-C 3.56Å; I476-W504 WeakPolarHBondContact O-CA 3.13Å; G477-W504 VanDerWaalsContact N-CE3 3.33Å; G477-W504 VanDerWaalsContact N-CZ3 3.34Å; F495-W504 WeakPolarHBondContact CA-O 3.15Å; F496-W504 HydrophobicContact CD1-CB 3.93Å; F496-W504 HydrophobicContact CD2-CB 4.23Å; F496-W504 HydrophobicContact CD2-CG 4.49Å; F496-W504 HydrophobicContact CE1-CB 3.48Å; F496-W504 VanDerWaalsContact CE1-CB 3.48Å; F496-W504 HydrophobicContact CE1-CG 4.21Å; F496-W504 HydrophobicContact CE2-CB 3.81Å; F496-W504 AromaticContact CE2-CD1 3.62Å; F496-W504 AromaticContact CE2-CG 3.79Å; F496-W504 HydrophobicContact CE2-CG 3.79Å; F496-W504 HydrophobicContact CG-CB 4.28Å; F496-W504 HydrophobicContact CZ-CB 3.41Å; F496-W504 VanDerWaalsContact CZ-CB 3.41Å; F496-W504 AromaticContact CZ-CD1 3.95Å; F496-W504 HydrophobicContact CZ-CD2 4.42Å; F496-W504 AromaticContact CZ-CG 3.63Å; F496-W504 HydrophobicContact CZ-CG 3.63Å; F496-W504 PolarHBondContact N-O 3.03Å; F496-W504 VanDerWaalsContact N-O 3.09Å; F496-W504 PolarHBondContact O-N 3.12Å; D498-W504 PolarHBondContact OD2-NE1 2.51Å; Q502-W504 HydrophobicContact CG-CZ2 4.02Å
505F96.5Very high92.9Very high5 Ų546.5 Ų46.52%0.02226%0.256CS..EExtended strand (participates in β ladder)trans-112.6125.8170.7176-116.3000110.6L423 E425 T426 L475 I476 V481 D494 F495 T507L423-F505 HydrophobicContact CB-CE1 4.32Å; L423-F505 HydrophobicContact CD1-CE1 4.2Å; L423-F505 HydrophobicContact CD2-CE1 4.13Å; L423-F505 HydrophobicContact CG-CE1 4.45Å; E425-F505 HydrophobicContact CB-CD1 3.95Å; E425-F505 HydrophobicContact CB-CD2 3.87Å; E425-F505 HydrophobicContact CB-CE1 3.62Å; E425-F505 HydrophobicContact CB-CE2 3.52Å; E425-F505 HydrophobicContact CB-CG 4.07Å; E425-F505 HydrophobicContact CB-CZ 3.4Å; E425-F505 VanDerWaalsContact CB-CZ 3.4Å; E425-F505 HydrophobicContact CG-CD2 4.34Å; E425-F505 HydrophobicContact CG-CE1 4.21Å; E425-F505 HydrophobicContact CG-CE2 3.57Å; E425-F505 HydrophobicContact CG-CZ 3.5Å; T426-F505 HydrophobicContact CG2-CB 4.34Å; T426-F505 HydrophobicContact CG2-CD1 3.69Å; T426-F505 HydrophobicContact CG2-CE1 4.45Å; T426-F505 HydrophobicContact CG2-CG 4.34Å; L475-F505 WeakPolarHBondContact CA-O 3.39Å; I476-F505 PolarHBondContact N-O 2.88Å; I476-F505 PolarHBondContact O-N 3.14Å; V481-F505 HydrophobicContact CG1-CB 3.96Å; D494-F505 HydrophobicContact CB-CD2 4.36Å; D494-F505 HydrophobicContact CB-CE2 3.95Å; D494-F505 WeakPolarHBondContact O-CA 3.46Å; D494-F505 VanDerWaalsContact O-CD2 3.27Å; D494-F505 WeakPolarHBondContact O-CD2 3.06Å; F495-F505 HydrophobicContact CD1-CB 4.09Å; F495-F505 AromaticContact CD1-CD2 3.8Å; F495-F505 HydrophobicContact CD1-CD2 3.8Å; F495-F505 HydrophobicContact CD1-CG 4.4Å; F495-F505 HydrophobicContact CD2-CD2 4.25Å; F495-F505 HydrophobicContact CE1-CB 4.03Å; F495-F505 AromaticContact CE1-CD2 3.43Å; F495-F505 HydrophobicContact CE1-CD2 3.43Å; F495-F505 VanDerWaalsContact CE1-CD2 3.43Å; F495-F505 HydrophobicContact CE1-CE2 4.23Å; F495-F505 HydrophobicContact CE1-CG 4.04Å; F495-F505 AromaticContact CE2-CD2 3.89Å; F495-F505 HydrophobicContact CE2-CD2 3.89Å; F495-F505 HydrophobicContact CE2-CE2 4.03Å; F495-F505 HydrophobicContact CG-CD2 4.22Å; F495-F505 AromaticContact CZ-CD2 3.49Å; F495-F505 HydrophobicContact CZ-CD2 3.49Å; F495-F505 VanDerWaalsContact CZ-CD2 3.49Å; F495-F505 AromaticContact CZ-CE2 3.82Å; F495-F505 HydrophobicContact CZ-CE2 3.82Å; F495-F505 HydrophobicContact CZ-CG 4.43Å; F505-T507 HydrophobicContact CD1-CG2 3.86Å; F505-T507 HydrophobicContact CE1-CG2 4.05Å; F505-T507 PolarHBondContact O-N 2.99Å
506C95.4Very high92.9Very high8 Ų847.2 Ų47.25%0.05426%0.261CS..EExtended strand (participates in β ladder)trans-81.2102.5172.3-56.10000109.4R455 L475 D494 G508R455-C506 PolarHBondContact NH1-SG 3.04Å; R455-C506 VanDerWaalsContact NH1-SG 3.42Å; R455-C506 PolarHBondContact NH2-SG 3.47Å; L475-C506 HydrophobicContact CD2-CB 3.99Å; D494-C506 PolarHBondContact O-N 2.74Å; C506-G508 VanDerWaalsContact C-N 3.25Å; C506-G508 PolarHBondContact O-N 3.41Å
507T93.6Very high92.8Very high13 Ų1343.8 Ų43.88%0.0825%0.247CC..EExtended strand (participates in β ladder)trans-69.7-23.3-170.865.90000113.7Y421 L423 I474 I476 F505 D509Y421-T507 WeakPolarHBondContact OH-CB 3.45Å; Y421-T507 WeakPolarHBondContact OH-CG2 3.34Å; Y421-T507 PolarHBondContact OH-OG1 3.02Å; L423-T507 HydrophobicContact CD1-CG2 3.89Å; I474-T507 HydrophobicContact CB-CG2 4.41Å; I474-T507 HydrophobicContact CG2-CG2 4.24Å; I474-T507 WeakPolarHBondContact O-CB 3.44Å; I474-T507 VanDerWaalsContact O-CG2 3.23Å; I474-T507 WeakPolarHBondContact O-CG2 3.47Å; I474-T507 PolarHBondContact O-N 3.13Å; I474-T507 PolarHBondContact O-OG1 3.33Å; I476-T507 HydrophobicContact CD1-CG2 3.97Å; I476-T507 HydrophobicContact CG1-CG2 4.04Å; F505-T507 HydrophobicContact CD1-CG2 3.86Å; F505-T507 HydrophobicContact CE1-CG2 4.05Å; F505-T507 PolarHBondContact O-N 2.99Å; T507-D509 PolarHBondContact O-N 2.88Å; T507-D509 PolarHBondContact OG1-N 2.95Å; T507-D509 VanDerWaalsContact OG1-N 3.12Å
508G91.8Very high92.9Very high24 Ų2439.5 Ų39.525%0.24722%0.22CC..EExtended strand (participates in β ladder)trans68.19-169.100000113.9E473 C506 K525E473-G508 PolarHBondContact OE1-N 3.36Å; C506-G508 VanDerWaalsContact C-N 3.25Å; C506-G508 PolarHBondContact O-N 3.41Å; G508-K525 WeakPolarHBondContact O-CB 3.26Å; G508-K525 WeakPolarHBondContact O-CG 3.39Å; G508-K525 PolarHBondContact O-N 3.32Å
509D92.9Very high93.1Very high7 Ų738 Ų384%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-106.4140.7178.2-64.4-33.2000109.9Y421 E473 I474 T507 R524Y421-D509 HydrophobicContact CE2-CB 4.49Å; Y421-D509 WeakPolarHBondContact OH-CB 3.38Å; Y421-D509 PolarHBondContact OH-OD2 2.87Å; E473-D509 WeakPolarHBondContact CA-O 3Å; I474-D509 HydrophobicContact CD1-CB 4.31Å; I474-D509 PolarHBondContact N-O 3.32Å; T507-D509 PolarHBondContact O-N 2.88Å; T507-D509 PolarHBondContact OG1-N 2.95Å; T507-D509 VanDerWaalsContact OG1-N 3.12Å; D509-R524 WeakPolarHBondContact OD1-CB 3.41Å; D509-R524 WeakPolarHBondContact OD1-CG 3.43Å; D509-R524 IonicContact OD1-NE 3.82Å; D509-R524 PolarHBondContact OD1-NE 2.94Å; D509-R524 VanDerWaalsContact OD1-NE 3.16Å
510I93.4Very high93.2Very high0 Ų030.5 Ų30.50%018%0.178CC..EExtended strand (participates in β ladder)trans-95131.4178.5-57.8-55.5000109.4W457 Y462 G472 E473 V522 D523 K525 L528W457-I510 HydrophobicContact CB-CD1 4.41Å; W457-I510 HydrophobicContact CD2-CD1 4.31Å; W457-I510 HydrophobicContact CE3-CD1 3.64Å; W457-I510 HydrophobicContact CE3-CG1 3.97Å; W457-I510 HydrophobicContact CZ3-CD1 4.36Å; W457-I510 HydrophobicContact CZ3-CG1 4.24Å; Y462-I510 HydrophobicContact CD1-CG2 3.82Å; Y462-I510 HydrophobicContact CD2-CG2 4.26Å; Y462-I510 HydrophobicContact CE1-CG2 4.1Å; Y462-I510 HydrophobicContact CG-CG2 3.91Å; G472-I510 CarbonylContact O-C 3.54Å; G472-I510 WeakPolarHBondContact O-CA 3.22Å; E473-I510 HydrophobicContact CB-CD1 4.12Å; I510-V522 HydrophobicContact CB-CB 4.24Å; I510-V522 HydrophobicContact CG2-CB 4Å; I510-V522 HydrophobicContact CG2-CG2 4.13Å; I510-V522 PolarHBondContact O-N 3.2Å; I510-D523 PolarHBondContact N-O 3.29Å; I510-K525 HydrophobicContact CD1-CD 4.32Å; I510-K525 HydrophobicContact CD1-CG 3.69Å; I510-K525 HydrophobicContact CG1-CG 3.99Å; I510-L528 HydrophobicContact CB-CD1 4.33Å; I510-L528 HydrophobicContact CG1-CD1 3.74Å
511G94.1Very high93.5Very high0 Ų025.4 Ų25.40%015%0.15CC..EExtended strand (participates in β ladder)trans-126.2160.7179.800000113.2R471 G472 M520R471-G511 VanDerWaalsContact CA-O 3.24Å; R471-G511 WeakPolarHBondContact CA-O 3.47Å; G472-G511 PolarHBondContact N-O 3.4Å; G472-G511 PolarHBondContact O-N 3.27Å; G511-M520 CarbonylContact C-O 3.51Å; G511-M520 VanDerWaalsContact CA-O 3.23Å; G511-M520 WeakPolarHBondContact CA-O 3.29Å
512E93.9Very high93.3Very high27 Ų2724.4 Ų24.413%0.12613%0.133CC..EExtended strand (participates in β ladder)trans-125.1127.7173.4-178.2177.8152.300108.8H469 P470 R471 M520 V522H469-E512 HydrophobicContact CB-CG 3.6Å; H469-E512 WeakPolarHBondContact CB-OE1 3.34Å; H469-E512 IonicContact CE1-OE1 3.45Å; H469-E512 IonicContact CG-OE1 2.68Å; H469-E512 IonicContact ND1-OE1 3.08Å; H469-E512 PolarHBondContact ND1-OE1 3.5Å; P470-E512 WeakPolarHBondContact O-CA 3.34Å; R471-E512 HydrophobicContact CG-CB 3.97Å; R471-E512 HydrophobicContact CG-CG 3.88Å; E512-M520 HydrophobicContact CB-CB 4.46Å; E512-M520 HydrophobicContact CB-CE 4.03Å; E512-M520 VanDerWaalsContact CD-CE 3.48Å; E512-M520 HydrophobicContact CG-CE 4.24Å; E512-M520 PolarHBondContact N-O 3.03Å; E512-M520 PolarHBondContact O-N 3.29Å; E512-M520 WeakPolarHBondContact OE2-CE 3.4Å; E512-V522 HydrophobicContact CB-CG2 4.31Å
513V94.9Very high92.8Very high6 Ų622.8 Ų22.84%0.03613%0.126CC..EExtended strand (participates in β ladder)trans-101.9123.2-177.6177.30000110.5Y14 L454 H469 P470 L519Y14-V513 HydrophobicContact CD1-CG1 4.07Å; Y14-V513 HydrophobicContact CE1-CG1 3.65Å; Y14-V513 HydrophobicContact CE2-CG1 4.27Å; Y14-V513 HydrophobicContact CE2-CG2 4.36Å; L454-V513 HydrophobicContact CD1-CB 4.34Å; L454-V513 HydrophobicContact CD1-CG2 3.79Å; L454-V513 HydrophobicContact CD2-CG2 4.19Å; L454-V513 HydrophobicContact CG-CG2 4.12Å; H469-V513 WeakPolarHBondContact CB-O 3.47Å; P470-V513 WeakPolarHBondContact CD-O 3.29Å; P470-V513 PolarHBondContact O-N 3.04Å; V513-L519 HydrophobicContact CG2-CD1 3.81Å
514Y94.5Very high92.3Very high59 Ų5925.7 Ų25.723%0.23114%0.137CC..  trans-82.2161.6179.5-80.4-103.6000112.2R442 H469 D516 G517 C518 M520R442-Y514 HydrophobicContact CG-CD2 4.48Å; R442-Y514 HydrophobicContact CG-CE2 4.2Å; H469-Y514 AromaticContact CE1-CD1 3.57Å; H469-Y514 AromaticContact CE1-CE1 3.38Å; H469-Y514 WeakPolarHBondContact CE1-CE1 3.21Å; H469-Y514 AromaticContact CE1-CZ 3.99Å; H469-Y514 AromaticContact ND1-CE1 3.82Å; Y514-D516 VanDerWaalsContact CB-OD1 3.29Å; Y514-D516 WeakPolarHBondContact CB-OD1 3.22Å; Y514-D516 PolarHBondContact O-N 3.38Å; Y514-G517 WeakPolarHBondContact O-CA 3.48Å; Y514-G517 PolarHBondContact O-N 3.02Å; Y514-C518 PolarHBondContact N-O 3.28Å; Y514-M520 HydrophobicContact CD2-CB 4.35Å; Y514-M520 HydrophobicContact CE2-CB 3.69Å; Y514-M520 HydrophobicContact CE2-CE 4.02Å; Y514-M520 HydrophobicContact CE2-SD 4.22Å
515P91.8Very high91.6Very high102 Ų10227.9 Ų27.966%0.66215%0.147SC*.THydrogen-bonded Turntrans-60.3-20.6-179.7-25.835.4000115.2G517P515-G517 VanDerWaalsContact C-N 3.29Å
516D92.8Very high90.7Very high38 Ų3834.9 Ų34.920%0.20318%0.177CC..THydrogen-bonded Turntrans-85.6-0.4174.464.2-6.4000113.4K2 A3 R442 Y514 C518K2-D516 WeakPolarHBondContact CB-O 3.47Å; K2-D516 PolarHBondContact N-O 3.42Å; A3-D516 PolarHBondContact N-O 2.96Å; R442-D516 IonicContact CZ-OD2 2.63Å; R442-D516 VanDerWaalsContact NH1-CG 3.3Å; R442-D516 IonicContact NH1-OD1 3.13Å; R442-D516 PolarHBondContact NH1-OD1 2.88Å; R442-D516 VanDerWaalsContact NH1-OD1 3.1Å; R442-D516 IonicContact NH1-OD2 2.71Å; R442-D516 PolarHBondContact NH1-OD2 3.4Å; R442-D516 IonicContact NH2-OD2 3.59Å; R442-D516 PolarHBondContact NH2-OD2 3.18Å; R442-D516 VanDerWaalsContact NH2-OD2 3.16Å; Y514-D516 VanDerWaalsContact CB-OD1 3.29Å; Y514-D516 WeakPolarHBondContact CB-OD1 3.22Å; Y514-D516 PolarHBondContact O-N 3.38Å; D516-C518 WeakPolarHBondContact OD1-CB 3.49Å; D516-C518 PolarHBondContact OD1-N 2.86Å; D516-C518 VanDerWaalsContact OD1-N 3.11Å
517G92.1Very high89.7Confident4 Ų436 Ų364%0.04118%0.183CC..SBendtrans84.95.3-177.600000114.2A3 Y514 P515A3-G517 WeakPolarHBondContact O-CA 3.4Å; Y514-G517 WeakPolarHBondContact O-CA 3.48Å; Y514-G517 PolarHBondContact O-N 3.02Å; P515-G517 VanDerWaalsContact C-N 3.29Å
518C94.9Very high88.8Confident0 Ų036 Ų360%018%0.182CC..  trans-76.3142.1174.5-68.70000111.4K2 G444 Y514 D516K2-C518 VanDerWaalsContact CD-SG 3.54Å; G444-C518 WeakPolarHBondContact O-CA 3.4Å; Y514-C518 PolarHBondContact N-O 3.28Å; D516-C518 WeakPolarHBondContact OD1-CB 3.49Å; D516-C518 PolarHBondContact OD1-N 2.86Å; D516-C518 VanDerWaalsContact OD1-N 3.11Å
519L94.9Very high88Confident3 Ų336 Ų362%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-92.8142174.5-172.468.3000110.6Y421 T431 V443 G444 I452 I474 V513 I521Y421-L519 HydrophobicContact CD1-CD2 4.18Å; Y421-L519 HydrophobicContact CE1-CD2 4.37Å; T431-L519 HydrophobicContact CG2-CB 4.17Å; T431-L519 HydrophobicContact CG2-CD2 4.08Å; V443-L519 HydrophobicContact CG2-CB 3.9Å; V443-L519 HydrophobicContact CG2-CD2 4.17Å; V443-L519 HydrophobicContact CG2-CG 4.1Å; V443-L519 VanDerWaalsContact CG2-O 3.22Å; V443-L519 WeakPolarHBondContact CG2-O 3.29Å; V443-L519 PolarHBondContact N-O 2.93Å; G444-L519 PolarHBondContact O-N 3.13Å; I452-L519 HydrophobicContact CD1-CD2 4.1Å; I474-L519 HydrophobicContact CD1-CD1 4.35Å; I474-L519 HydrophobicContact CD1-CD2 3.85Å; I474-L519 HydrophobicContact CD1-CG 4.45Å; I474-L519 HydrophobicContact CG1-CD1 4.24Å; I474-L519 HydrophobicContact CG1-CD2 4.22Å; I474-L519 HydrophobicContact CG2-CD2 4.31Å; V513-L519 HydrophobicContact CG2-CD1 3.81Å; L519-I521 HydrophobicContact CD2-CD1 3.85Å; L519-I521 HydrophobicContact CG-CD1 4.19Å
520M93.3Very high87.2Confident40 Ų4040.2 Ų40.220%0.19720%0.195CC..EExtended strand (participates in β ladder)trans-117.4135.4162.9175172.669.500108.6G441 R442 G511 E512 Y514G441-M520 VanDerWaalsContact O-CG 3.29Å; G441-M520 WeakPolarHBondContact O-CG 3.25Å; R442-M520 HydrophobicContact CG-CB 4.41Å; G511-M520 CarbonylContact C-O 3.51Å; G511-M520 VanDerWaalsContact CA-O 3.23Å; G511-M520 WeakPolarHBondContact CA-O 3.29Å; E512-M520 HydrophobicContact CB-CB 4.46Å; E512-M520 HydrophobicContact CB-CE 4.03Å; E512-M520 VanDerWaalsContact CD-CE 3.48Å; E512-M520 HydrophobicContact CG-CE 4.24Å; E512-M520 PolarHBondContact N-O 3.03Å; E512-M520 PolarHBondContact O-N 3.29Å; E512-M520 WeakPolarHBondContact OE2-CE 3.4Å; Y514-M520 HydrophobicContact CD2-CB 4.35Å; Y514-M520 HydrophobicContact CE2-CB 3.69Å; Y514-M520 HydrophobicContact CE2-CE 4.02Å; Y514-M520 HydrophobicContact CE2-SD 4.22Å
521I91.5Very high86.5Confident42 Ų4240.4 Ų40.422%0.21520%0.196CC..EExtended strand (participates in β ladder)trans-85.8126.1174.7-52-56.7000108.3Y421 V443 I474 L519Y421-I521 HydrophobicContact CD1-CD1 3.96Å; Y421-I521 HydrophobicContact CD2-CD1 3.68Å; Y421-I521 HydrophobicContact CD2-CG1 3.94Å; Y421-I521 HydrophobicContact CE1-CD1 4.07Å; Y421-I521 HydrophobicContact CE2-CD1 3.82Å; Y421-I521 HydrophobicContact CE2-CG1 4.37Å; Y421-I521 HydrophobicContact CG-CD1 3.75Å; Y421-I521 HydrophobicContact CG-CG1 4.21Å; V443-I521 HydrophobicContact CG1-CG1 3.88Å; V443-I521 HydrophobicContact CG2-CD1 4.03Å; V443-I521 HydrophobicContact CG2-CG1 3.96Å; I474-I521 HydrophobicContact CD1-CD1 3.46Å; I474-I521 VanDerWaalsContact CD1-CD1 3.46Å; L519-I521 HydrophobicContact CD2-CD1 3.85Å; L519-I521 HydrophobicContact CG-CD1 4.19Å
522V86.4Confident85.4Confident35 Ų3546.2 Ų46.221%0.21222%0.223CC..EExtended strand (participates in β ladder)trans-81.6-66.6174.8179.90000108.7Y462 I510 E512 S538Y462-V522 HydrophobicContact CE1-CG1 4.3Å; I510-V522 HydrophobicContact CB-CB 4.24Å; I510-V522 HydrophobicContact CG2-CB 4Å; I510-V522 HydrophobicContact CG2-CG2 4.13Å; I510-V522 PolarHBondContact O-N 3.2Å; E512-V522 HydrophobicContact CB-CG2 4.31Å; V522-S538 PolarHBondContact O-OG 3.32Å
523D80.8Confident83.9Confident10 Ų1047.9 Ų47.95%0.05324%0.241CC..EExtended strand (participates in β ladder)trans-172.6-179.9172.7-145.4-30.4000110.4I510 D527 L528 S538 L539 G540I510-D523 PolarHBondContact N-O 3.29Å; D523-D527 WeakPolarHBondContact OD1-CB 3.4Å; D523-L528 HydrophobicContact CB-CD1 4.47Å; D523-L528 HydrophobicContact CB-CD2 3.89Å; D523-L528 HydrophobicContact CB-CG 3.94Å; D523-S538 WeakPolarHBondContact CB-OG 3.35Å; D523-S538 VanDerWaalsContact CG-OG 3.29Å; D523-S538 VanDerWaalsContact OD2-C 3.25Å; D523-S538 VanDerWaalsContact OD2-CA 3.22Å; D523-S538 WeakPolarHBondContact OD2-CA 3.41Å; D523-S538 VanDerWaalsContact OD2-CB 3.3Å; D523-S538 WeakPolarHBondContact OD2-CB 3.49Å; D523-S538 PolarHBondContact OD2-OG 3.47Å; D523-L539 PolarHBondContact OD2-N 3.41Å; D523-L539 VanDerWaalsContact OD2-N 3.15Å; D523-G540 PolarHBondContact OD2-N 3.45Å
524R83.4Confident82.1Confident116 Ų11649.2 Ų49.244%0.43826%0.256SS..EExtended strand (participates in β ladder)trans-77143.3170.4-42.7-161.6122169.63.6110.6D509 K526 D527 L528D509-R524 WeakPolarHBondContact OD1-CB 3.41Å; D509-R524 WeakPolarHBondContact OD1-CG 3.43Å; D509-R524 IonicContact OD1-NE 3.82Å; D509-R524 PolarHBondContact OD1-NE 2.94Å; D509-R524 VanDerWaalsContact OD1-NE 3.16Å; R524-K526 PolarHBondContact O-N 2.68Å; R524-K526 VanDerWaalsContact O-N 3.08Å; R524-D527 HydrophobicContact CB-CB 4.09Å; R524-D527 PolarHBondContact O-N 3.19Å; R524-L528 PolarHBondContact O-N 3.24Å
525K81.6Confident81Confident47 Ų4750.2 Ų50.220%0.20426%0.263CS..THydrogen-bonded Turntrans-51.1-36.9173-76.6-175.1173.3-172.70113W457 E473 G508 I510W457-K525 HydrophobicContact CD2-CD 4.19Å; W457-K525 HydrophobicContact CD2-CG 4.19Å; W457-K525 HydrophobicContact CE3-CG 4.04Å; W457-K525 HydrophobicContact CH2-CB 4.31Å; W457-K525 HydrophobicContact CH2-CG 4.27Å; W457-K525 HydrophobicContact CZ2-CG 4.41Å; W457-K525 HydrophobicContact CZ3-CG 4.09Å; E473-K525 IonicContact OE1-NZ 3.18Å; E473-K525 IonicContact OE2-NZ 2.74Å; E473-K525 PolarHBondContact OE2-NZ 2.59Å; G508-K525 WeakPolarHBondContact O-CB 3.26Å; G508-K525 WeakPolarHBondContact O-CG 3.39Å; G508-K525 PolarHBondContact O-N 3.32Å; I510-K525 HydrophobicContact CD1-CD 4.32Å; I510-K525 HydrophobicContact CD1-CG 3.69Å; I510-K525 HydrophobicContact CG1-CG 3.99Å
526K77.3Confident80.2Confident152 Ų15248.2 Ų48.266%0.66124%0.243SC*.THydrogen-bonded Turntrans-76.5-22.6179.2-64.4178.5-178.11650113.9S236 R524S236-K526 PolarHBondContact OG-NZ 3.25Å; R524-K526 PolarHBondContact O-N 2.68Å; R524-K526 VanDerWaalsContact O-N 3.08Å
527D73.3Confident79.5Confident32 Ų3246.4 Ų46.417%0.17123%0.233CC..THydrogen-bonded Turntrans-97-8-179-73.56.8000111.8D523 R524 V529 L539 R647D523-D527 WeakPolarHBondContact OD1-CB 3.4Å; R524-D527 HydrophobicContact CB-CB 4.09Å; R524-D527 PolarHBondContact O-N 3.19Å; D527-V529 PolarHBondContact O-N 2.64Å; D527-L539 WeakPolarHBondContact O-CG 3.26Å; D527-R647 IonicContact OD1-NE 2.81Å; D527-R647 PolarHBondContact OD1-NE 3.46Å; D527-R647 IonicContact OD2-CZ 2.79Å; D527-R647 IonicContact OD2-NE 3.16Å; D527-R647 PolarHBondContact OD2-NE 3.39Å; D527-R647 IonicContact OD2-NH2 3.58Å; D527-R647 PolarHBondContact OD2-NH2 2.82Å
528L75.8Confident79.1Confident13 Ų1346.5 Ų46.57%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-80.4106.6169-72.2167.5000109.8W457 Y462 I510 D523 R524 Y536W457-L528 HydrophobicContact CH2-CB 4.48Å; W457-L528 HydrophobicContact CH2-CD1 4.47Å; W457-L528 HydrophobicContact CZ3-CB 4.46Å; W457-L528 HydrophobicContact CZ3-CD1 3.69Å; Y462-L528 HydrophobicContact CE2-CD1 3.89Å; I510-L528 HydrophobicContact CB-CD1 4.33Å; I510-L528 HydrophobicContact CG1-CD1 3.74Å; D523-L528 HydrophobicContact CB-CD1 4.47Å; D523-L528 HydrophobicContact CB-CD2 3.89Å; D523-L528 HydrophobicContact CB-CG 3.94Å; R524-L528 PolarHBondContact O-N 3.24Å; L528-Y536 HydrophobicContact CB-CD1 4.25Å
529V75.6Confident78.7Confident22 Ų2247 Ų4713%0.13324%0.236CC..EExtended strand (participates in β ladder)trans-103.6121.2178.6-176.50000109.3D527 V537 L539 A559D527-V529 PolarHBondContact O-N 2.64Å; V529-V537 PolarHBondContact N-O 3.22Å; V529-V537 PolarHBondContact O-N 3.43Å; V529-L539 HydrophobicContact CG2-CD1 3.92Å; V529-L539 HydrophobicContact CG2-CG 4.41Å; V529-A559 HydrophobicContact CB-CB 3.77Å; V529-A559 HydrophobicContact CG1-CB 3.68Å; V529-A559 HydrophobicContact CG2-CB 4.14Å
530K75.2Confident78Confident97 Ų9747.2 Ų47.242%0.42224%0.239SC..EExtended strand (participates in β ladder)trans-74.1122.6168.2-165.2176.9-175.9169.20109G534 E535 Y536 S561K530-G534 WeakPolarHBondContact CE-O 3.48Å; K530-E535 CarbonylContact C-O 3.55Å; K530-E535 WeakPolarHBondContact CA-O 3.37Å; K530-Y536 HydrophobicContact CB-CD1 3.96Å; K530-Y536 HydrophobicContact CB-CE1 3.59Å; K530-Y536 HydrophobicContact CB-CE2 4.41Å; K530-Y536 HydrophobicContact CD-CE1 4.46Å; K530-Y536 HydrophobicContact CD-CE2 4.08Å; K530-Y536 HydrophobicContact CG-CD2 4.46Å; K530-Y536 HydrophobicContact CG-CE1 4.19Å; K530-Y536 HydrophobicContact CG-CE2 4.11Å; K530-S561 WeakPolarHBondContact O-CA 3.39Å; K530-S561 WeakPolarHBondContact O-CB 3.27Å; K530-S561 PolarHBondContact O-OG 3.31Å
531L78.8Confident77.3Confident3 Ų350.2 Ų50.22%0.01625%0.251CS..PPolyproline II helixtrans-76.8164.6169.9-63.6179.9000110.5A533 G534 E535 V537 A559 V566 F619L531-A533 PolarHBondContact O-N 3.3Å; L531-G534 WeakPolarHBondContact O-CA 3.27Å; L531-G534 PolarHBondContact O-N 2.77Å; L531-E535 PolarHBondContact N-O 2.86Å; L531-V537 HydrophobicContact CD1-CG2 3.65Å; L531-V537 HydrophobicContact CD2-CG2 4.5Å; L531-V537 HydrophobicContact CG-CG2 3.91Å; L531-A559 HydrophobicContact CD2-CB 4.2Å; L531-V566 HydrophobicContact CD2-CG1 4.12Å; L531-F619 HydrophobicContact CD1-CB 4.11Å; L531-F619 HydrophobicContact CD1-CD2 4.43Å
532Q70.9Confident77Confident123 Ų12348.2 Ų48.258%0.57524%0.241SC*.THydrogen-bonded Turntrans-59.1-30.6179.6170.2-173.93500112.5G534 S561 Q563 N564Q532-G534 PolarHBondContact O-N 3.32Å; Q532-S561 WeakPolarHBondContact CA-O 3.33Å; Q532-S561 PolarHBondContact N-O 2.89Å; Q532-Q563 PolarHBondContact N-O 2.81Å; Q532-N564 VanDerWaalsContact CB-OD1 3.23Å; Q532-N564 WeakPolarHBondContact CB-OD1 3.46Å; Q532-N564 PolarHBondContact OE1-ND2 2.93Å; Q532-N564 PolarHBondContact OE1-OD1 2.99Å
533A62.2Low77.1Confident62 Ų6247.1 Ų47.151%0.51223%0.233SC..THydrogen-bonded Turntrans-68-7.4174.100000114.3L531 E535 N564L531-A533 PolarHBondContact O-N 3.3Å; A533-E535 WeakPolarHBondContact CB-OE2 3.24Å; A533-N564 PolarHBondContact N-OD1 3.27Å
534G57.2Low77.2Confident34 Ų3447.3 Ų47.335%0.35124%0.235SC..SBendtrans94.2-6.7178.200000114.8K530 L531 Q532K530-G534 WeakPolarHBondContact CE-O 3.48Å; L531-G534 WeakPolarHBondContact O-CA 3.27Å; L531-G534 PolarHBondContact O-N 2.77Å; Q532-G534 PolarHBondContact O-N 3.32Å
535E71.6Confident77.2Confident80 Ų8042.3 Ų42.337%0.37422%0.219SC..PPolyproline II helixtrans-77.7141.1179-61148.2155.200110.9K530 L531 A533 F619K530-E535 CarbonylContact C-O 3.55Å; K530-E535 WeakPolarHBondContact CA-O 3.37Å; L531-E535 PolarHBondContact N-O 2.86Å; A533-E535 WeakPolarHBondContact CB-OE2 3.24Å; E535-F619 HydrophobicContact CB-CD2 4Å; E535-F619 HydrophobicContact CB-CE2 4.04Å; E535-F619 HydrophobicContact CB-CG 4.28Å; E535-F619 HydrophobicContact CB-CZ 4.34Å; E535-F619 HydrophobicContact CG-CD1 4.35Å; E535-F619 HydrophobicContact CG-CE1 4.42Å; E535-F619 HydrophobicContact CG-CG 4.48Å
536Y74.9Confident77.5Confident59 Ų5940.1 Ų40.123%0.23121%0.209CC..EExtended strand (participates in β ladder)trans-94.1128.9174-78-87.6000110.8E459 L528 K530E459-Y536 PolarHBondContact O-OH 3.47Å; L528-Y536 HydrophobicContact CB-CD1 4.25Å; K530-Y536 HydrophobicContact CB-CD1 3.96Å; K530-Y536 HydrophobicContact CB-CE1 3.59Å; K530-Y536 HydrophobicContact CB-CE2 4.41Å; K530-Y536 HydrophobicContact CD-CE1 4.46Å; K530-Y536 HydrophobicContact CD-CE2 4.08Å; K530-Y536 HydrophobicContact CG-CD2 4.46Å; K530-Y536 HydrophobicContact CG-CE1 4.19Å; K530-Y536 HydrophobicContact CG-CE2 4.11Å
537V78.6Confident78Confident0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-103.8126172.9-179.40000109.8V529 L531 L539 V542 V566 F619 E620V529-V537 PolarHBondContact N-O 3.22Å; V529-V537 PolarHBondContact O-N 3.43Å; L531-V537 HydrophobicContact CD1-CG2 3.65Å; L531-V537 HydrophobicContact CD2-CG2 4.5Å; L531-V537 HydrophobicContact CG-CG2 3.91Å; V537-L539 HydrophobicContact CG1-CD2 4.28Å; V537-L539 PolarHBondContact O-N 3.14Å; V537-V542 HydrophobicContact CG1-CG2 4.27Å; V537-V566 HydrophobicContact CB-CG1 4.42Å; V537-V566 HydrophobicContact CG1-CG1 4.15Å; V537-V566 HydrophobicContact CG2-CG1 4.12Å; V537-F619 HydrophobicContact CG2-CD2 3.7Å; V537-F619 HydrophobicContact CG2-CE2 4.13Å; V537-E620 HydrophobicContact CG1-CG 4.44Å
538S83.4Confident78.3Confident7 Ų735.4 Ų35.45%0.04919%0.192CC..EExtended strand (participates in β ladder)trans-84.1102.2167.9164.90000109.6V522 D523 G540 K541 V542V522-S538 PolarHBondContact O-OG 3.32Å; D523-S538 WeakPolarHBondContact CB-OG 3.35Å; D523-S538 VanDerWaalsContact CG-OG 3.29Å; D523-S538 VanDerWaalsContact OD2-C 3.25Å; D523-S538 VanDerWaalsContact OD2-CA 3.22Å; D523-S538 WeakPolarHBondContact OD2-CA 3.41Å; D523-S538 VanDerWaalsContact OD2-CB 3.3Å; D523-S538 WeakPolarHBondContact OD2-CB 3.49Å; D523-S538 PolarHBondContact OD2-OG 3.47Å; S538-G540 PolarHBondContact O-N 3.31Å; S538-K541 WeakPolarHBondContact OG-CB 3.29Å; S538-K541 PolarHBondContact OG-N 3.47Å; S538-V542 WeakPolarHBondContact O-CG2 3.41Å; S538-V542 PolarHBondContact O-N 3.33Å
539L85.5Confident78.8Confident9 Ų934.9 Ų34.95%0.04719%0.19CC..Hα-helixtrans-63.1-42.5-177.9-61.7177.5000111.5D523 D527 V529 V537 K541 V542 E543 V557 A559D523-L539 PolarHBondContact OD2-N 3.41Å; D523-L539 VanDerWaalsContact OD2-N 3.15Å; D527-L539 WeakPolarHBondContact O-CG 3.26Å; V529-L539 HydrophobicContact CG2-CD1 3.92Å; V529-L539 HydrophobicContact CG2-CG 4.41Å; V537-L539 HydrophobicContact CG1-CD2 4.28Å; V537-L539 PolarHBondContact O-N 3.14Å; L539-K541 PolarHBondContact O-N 2.84Å; L539-V542 PolarHBondContact O-N 2.98Å; L539-E543 WeakPolarHBondContact O-CG 3.3Å; L539-E543 PolarHBondContact O-N 3.28Å; L539-V557 HydrophobicContact CD2-CB 4.14Å; L539-V557 HydrophobicContact CD2-CG1 3.7Å; L539-A559 HydrophobicContact CD2-CB 3.88Å
540G79.8Confident79.2Confident9 Ų936 Ų369%0.09320%0.202CC..Hα-helixtrans-65-39.3-177.900000112.9D523 S538 E543 S544D523-G540 PolarHBondContact OD2-N 3.45Å; S538-G540 PolarHBondContact O-N 3.31Å; G540-E543 PolarHBondContact O-N 2.73Å; G540-S544 WeakPolarHBondContact O-CB 3.5Å; G540-S544 PolarHBondContact O-N 2.9Å
541K80.6Confident79.9Confident102 Ų10232.2 Ų32.244%0.44319%0.186SC..Hα-helixtrans-61.7-48.4174.9176-169166.4-156.90111.5S538 L539 E543 S544 A545 E620S538-K541 WeakPolarHBondContact OG-CB 3.29Å; S538-K541 PolarHBondContact OG-N 3.47Å; L539-K541 PolarHBondContact O-N 2.84Å; K541-E543 VanDerWaalsContact C-N 3.34Å; K541-E543 PolarHBondContact O-N 3.03Å; K541-S544 PolarHBondContact O-N 2.85Å; K541-A545 WeakPolarHBondContact O-CB 3.22Å; K541-A545 PolarHBondContact O-N 2.9Å; K541-E620 IonicContact NZ-OE1 2.76Å; K541-E620 PolarHBondContact NZ-OE1 3.04Å; K541-E620 IonicContact NZ-OE2 2.69Å; K541-E620 PolarHBondContact NZ-OE2 3.15Å
542V85.1Confident80.4Confident0 Ų032.1 Ų32.10%019%0.185CC..Hα-helixtrans-63-43.6-179.6178.90000110.3V537 S538 L539 A545 L546 V557 L616 E620V537-V542 HydrophobicContact CG1-CG2 4.27Å; S538-V542 WeakPolarHBondContact O-CG2 3.41Å; S538-V542 PolarHBondContact O-N 3.33Å; L539-V542 PolarHBondContact O-N 2.98Å; V542-A545 PolarHBondContact O-N 3.19Å; V542-L546 HydrophobicContact CG1-CD1 3.67Å; V542-L546 HydrophobicContact CG1-CG 4.17Å; V542-L546 WeakPolarHBondContact O-CB 3.19Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.49Å; V542-L546 PolarHBondContact O-N 3.11Å; V542-V557 HydrophobicContact CB-CG2 4.25Å; V542-V557 HydrophobicContact CG1-CG1 4.44Å; V542-V557 HydrophobicContact CG1-CG2 3.78Å; V542-L616 HydrophobicContact CG1-CD1 4.18Å; V542-E620 WeakPolarHBondContact CG1-O 3.08Å; V542-E620 HydrophobicContact CG2-CB 3.8Å; V542-E620 HydrophobicContact CG2-CG 4.31Å
543E88.6Confident81.1Confident12 Ų1229.3 Ų29.36%0.05617%0.174CC..Hα-helixtrans-60.3-50.9177-71.9163.4171.900112.2L539 G540 K541 A545 L546 K547 I555 C556 V557 L645 R647L539-E543 WeakPolarHBondContact O-CG 3.3Å; L539-E543 PolarHBondContact O-N 3.28Å; G540-E543 PolarHBondContact O-N 2.73Å; K541-E543 VanDerWaalsContact C-N 3.34Å; K541-E543 PolarHBondContact O-N 3.03Å; E543-A545 VanDerWaalsContact C-N 3.28Å; E543-A545 PolarHBondContact O-N 3.25Å; E543-L546 PolarHBondContact O-N 2.8Å; E543-K547 WeakPolarHBondContact O-CG 3.37Å; E543-K547 PolarHBondContact O-N 3.25Å; E543-I555 HydrophobicContact CB-CG2 4.35Å; E543-C556 WeakPolarHBondContact OE1-CA 3.26Å; E543-V557 HydrophobicContact CG-CB 3.94Å; E543-V557 HydrophobicContact CG-CG2 3.58Å; E543-V557 PolarHBondContact OE1-N 3.02Å; E543-L645 HydrophobicContact CG-CD1 4.47Å; E543-L645 WeakPolarHBondContact OE2-CD1 3.42Å; E543-R647 IonicContact OE1-CZ 3.08Å; E543-R647 IonicContact OE1-NH1 2.89Å; E543-R647 PolarHBondContact OE1-NH1 2.99Å; E543-R647 IonicContact OE1-NH2 3.95Å; E543-R647 PolarHBondContact OE1-NH2 3.48Å; E543-R647 IonicContact OE2-CZ 3.61Å; E543-R647 IonicContact OE2-NH1 3.48Å; E543-R647 IonicContact OE2-NH2 2.96Å; E543-R647 PolarHBondContact OE2-NH2 3.39Å
544S82.7Confident82.3Confident14 Ų1426.7 Ų26.710%0.09815%0.152CC..Hα-helixtrans-60.9-37.7179.6-168.30000111.9P400 S402 G540 K541P400-S544 PolarHBondContact O-OG 3.35Å; S402-S544 PolarHBondContact N-OG 2.9Å; G540-S544 WeakPolarHBondContact O-CB 3.5Å; G540-S544 PolarHBondContact O-N 2.9Å; K541-S544 PolarHBondContact O-N 2.85Å
545A83Confident84Confident12 Ų1225.1 Ų25.110%0.09914%0.135CC..Hα-helixtrans-65.7-50174.300000112.3K541 V542 E543 K547 T548 I614 L616K541-A545 WeakPolarHBondContact O-CB 3.22Å; K541-A545 PolarHBondContact O-N 2.9Å; V542-A545 PolarHBondContact O-N 3.19Å; E543-A545 VanDerWaalsContact C-N 3.28Å; E543-A545 PolarHBondContact O-N 3.25Å; A545-K547 VanDerWaalsContact C-N 3.33Å; A545-K547 PolarHBondContact O-N 2.84Å; A545-T548 PolarHBondContact O-N 2.85Å; A545-T548 PolarHBondContact O-OG1 3.48Å; A545-I614 HydrophobicContact CB-CD1 4.12Å; A545-I614 HydrophobicContact CB-CG2 4.06Å; A545-I614 WeakPolarHBondContact O-CD1 2.99Å; A545-L616 HydrophobicContact CB-CD1 4.36Å; A545-L616 HydrophobicContact CB-CD2 4.42Å
546L88.4Confident84.9Confident0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-73.3-22.1-175.2-67.2-178.9000113.4V542 E543 T548 C549 I555 I607 V610 A611 L616 P622V542-L546 HydrophobicContact CG1-CD1 3.67Å; V542-L546 HydrophobicContact CG1-CG 4.17Å; V542-L546 WeakPolarHBondContact O-CB 3.19Å; V542-L546 VanDerWaalsContact O-CG 3.3Å; V542-L546 WeakPolarHBondContact O-CG 3.49Å; V542-L546 PolarHBondContact O-N 3.11Å; E543-L546 PolarHBondContact O-N 2.8Å; L546-T548 PolarHBondContact O-N 3.41Å; L546-T548 VanDerWaalsContact O-N 3.09Å; L546-C549 WeakPolarHBondContact O-CB 3.35Å; L546-C549 PolarHBondContact O-N 3.22Å; L546-I555 HydrophobicContact CB-CD1 3.88Å; L546-I555 HydrophobicContact CB-CG2 4.48Å; L546-I555 HydrophobicContact CD1-CD1 3.74Å; L546-I555 HydrophobicContact CG-CD1 4.49Å; L546-I607 HydrophobicContact CD1-CG2 3.95Å; L546-I607 HydrophobicContact CD2-CG2 3.95Å; L546-V610 HydrophobicContact CD2-CG1 4.42Å; L546-A611 HydrophobicContact CD2-CB 4.19Å; L546-L616 HydrophobicContact CD2-CD1 4.19Å; L546-L616 HydrophobicContact CG-CD1 4.36Å; L546-P622 HydrophobicContact CD1-CG 3.81Å
547K86.5Confident85.8Confident30 Ų3018.7 Ų18.713%0.1311%0.108CC..THydrogen-bonded Turntrans-58.1-20.1172.3-83.8-175.3179.6-168.10114E543 A545 C549 N554 I555E543-K547 WeakPolarHBondContact O-CG 3.37Å; E543-K547 PolarHBondContact O-N 3.25Å; A545-K547 VanDerWaalsContact C-N 3.33Å; A545-K547 PolarHBondContact O-N 2.84Å; K547-C549 PolarHBondContact O-N 3.21Å; K547-N554 WeakPolarHBondContact CE-OD1 3.39Å; K547-N554 PolarHBondContact NZ-OD1 2.87Å; K547-I555 HydrophobicContact CG-CG2 3.71Å
548T80.8Confident86.3Confident56 Ų5620.6 Ų20.634%0.34412%0.115SC..THydrogen-bonded Turntrans-70.4-13.5174.365.90000113.4A545 L546A545-T548 PolarHBondContact O-N 2.85Å; A545-T548 PolarHBondContact O-OG1 3.48Å; L546-T548 PolarHBondContact O-N 3.41Å; L546-T548 VanDerWaalsContact O-N 3.09Å
549C85.6Confident86.5Confident2 Ų220.6 Ų20.61%0.01412%0.116CC..SBendtrans-63.4133.2176.8179.90000111.6L546 K547 L551 I552 E606 V610L546-C549 WeakPolarHBondContact O-CB 3.35Å; L546-C549 PolarHBondContact O-N 3.22Å; K547-C549 PolarHBondContact O-N 3.21Å; C549-L551 VanDerWaalsContact C-N 3.26Å; C549-L551 PolarHBondContact O-N 3.19Å; C549-I552 HydrophobicContact CB-CB 4.15Å; C549-I552 HydrophobicContact CB-CD1 3.76Å; C549-I552 HydrophobicContact CB-CG1 3.85Å; C549-I552 PolarHBondContact O-N 2.99Å; C549-E606 VanDerWaalsContact SG-CG 3.54Å; C549-V610 HydrophobicContact CB-CG2 4.18Å
550A84.3Confident86.3Confident46 Ų4622.1 Ų22.138%0.3812%0.124SC..THydrogen-bonded Turntrans-62.3-32.2-176.400000113.4I552 K576A550-I552 VanDerWaalsContact C-N 3.33Å; A550-K576 HydrophobicContact CB-CD 4.24Å; A550-K576 WeakPolarHBondContact O-CD 3.23Å; A550-K576 PolarHBondContact O-NZ 3.39Å; A550-K576 VanDerWaalsContact O-NZ 3.15Å
551L88.4Confident86.3Confident17 Ų1724.7 Ų24.79%0.08914%0.141CC..THydrogen-bonded Turntrans-81.9-9.2-178.1-64.4177.8000113.3C549 P572 N573 K576 L580 V603 E606C549-L551 VanDerWaalsContact C-N 3.26Å; C549-L551 PolarHBondContact O-N 3.19Å; L551-P572 CarbonylContact O-C 3.55Å; L551-P572 VanDerWaalsContact O-CA 3.25Å; L551-P572 WeakPolarHBondContact O-CA 3.44Å; L551-N573 PolarHBondContact O-N 2.77Å; L551-K576 HydrophobicContact CD2-CB 3.95Å; L551-L580 HydrophobicContact CD1-CD2 3.86Å; L551-L580 HydrophobicContact CD2-CD2 4.28Å; L551-V603 HydrophobicContact CD1-CG2 4.29Å; L551-E606 HydrophobicContact CD1-CB 3.89Å; L551-E606 HydrophobicContact CD1-CG 3.94Å; L551-E606 HydrophobicContact CG-CG 4.4Å
552I90.4Very high86.2Confident0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-108.3123.7-171.2-61.1-174.7000109.5K338 C549 A550 N554 I555 V570 I607K338-I552 PolarHBondContact NZ-O 3.5Å; C549-I552 HydrophobicContact CB-CB 4.15Å; C549-I552 HydrophobicContact CB-CD1 3.76Å; C549-I552 HydrophobicContact CB-CG1 3.85Å; C549-I552 PolarHBondContact O-N 2.99Å; A550-I552 VanDerWaalsContact C-N 3.33Å; I552-N554 WeakPolarHBondContact CG2-O 3.49Å; I552-I555 HydrophobicContact CD1-CD1 4.2Å; I552-I555 HydrophobicContact CG2-CB 3.9Å; I552-I555 HydrophobicContact CG2-CG2 4.21Å; I552-V570 HydrophobicContact CB-CG1 4.42Å; I552-V570 HydrophobicContact CD1-CG1 4.39Å; I552-V570 HydrophobicContact CD1-CG2 4.2Å; I552-V570 HydrophobicContact CG1-CG1 3.88Å; I552-V570 HydrophobicContact CG2-CG1 4.25Å; I552-I607 HydrophobicContact CD1-CD1 3.86Å; I552-I607 HydrophobicContact CD1-CG1 3.7Å
553D84.9Confident86.2Confident65 Ų6527.3 Ų27.335%0.34815%0.154SC..EExtended strand (participates in β ladder)trans-88-48.8167.3-83.2-10.7000111.7K338 V571 N573K338-D553 PolarHBondContact NZ-O 3.43Å; K338-D553 IonicContact NZ-OD1 3.74Å; D553-V571 WeakPolarHBondContact CA-O 3.45Å; D553-V571 HydrophobicContact CB-CG1 4.3Å; D553-V571 PolarHBondContact N-O 3.36Å; D553-N573 WeakPolarHBondContact OD1-CB 3.49Å; D553-N573 PolarHBondContact OD1-ND2 3.48Å; D553-N573 WeakPolarHBondContact OD2-CA 3.48Å; D553-N573 PolarHBondContact OD2-ND2 2.87Å
554N87.8Confident86Confident7 Ų730.8 Ų30.84%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-139.5153.5173-141.3-21.7000110.5K547 I552 V570 V571 W632K547-N554 WeakPolarHBondContact CE-OD1 3.39Å; K547-N554 PolarHBondContact NZ-OD1 2.87Å; I552-N554 WeakPolarHBondContact CG2-O 3.49Å; N554-V570 WeakPolarHBondContact O-CA 3.46Å; N554-V571 HydrophobicContact CB-CB 4.01Å; N554-V571 HydrophobicContact CB-CG2 4.1Å; N554-V571 PolarHBondContact N-O 2.55Å; N554-V571 VanDerWaalsContact N-O 3.16Å; N554-V571 PolarHBondContact O-N 3.13Å; N554-W632 HydrophobicContact CB-CD2 4.42Å; N554-W632 HydrophobicContact CB-CE3 3.68Å; N554-W632 HydrophobicContact CB-CZ3 3.96Å
555I92.3Very high86.2Confident0 Ų032.8 Ų32.80%018%0.179CC..EExtended strand (participates in β ladder)trans-144.6140.5-179.8-176.3171.8000109.8E543 L546 K547 I552 V557 F569 V570 L645E543-I555 HydrophobicContact CB-CG2 4.35Å; L546-I555 HydrophobicContact CB-CD1 3.88Å; L546-I555 HydrophobicContact CB-CG2 4.48Å; L546-I555 HydrophobicContact CD1-CD1 3.74Å; L546-I555 HydrophobicContact CG-CD1 4.49Å; K547-I555 HydrophobicContact CG-CG2 3.71Å; I552-I555 HydrophobicContact CD1-CD1 4.2Å; I552-I555 HydrophobicContact CG2-CB 3.9Å; I552-I555 HydrophobicContact CG2-CG2 4.21Å; I555-V557 HydrophobicContact CD1-CG2 4.34Å; I555-V557 HydrophobicContact CG1-CG2 4.42Å; I555-F569 CarbonylContact C-O 3.57Å; I555-F569 VanDerWaalsContact CA-O 3.31Å; I555-F569 WeakPolarHBondContact CA-O 3.27Å; I555-V570 HydrophobicContact CB-CG2 4.3Å; I555-V570 HydrophobicContact CD1-CG2 3.95Å; I555-V570 HydrophobicContact CG1-CG2 3.86Å; I555-L645 VanDerWaalsContact O-CD1 3.28Å; I555-L645 WeakPolarHBondContact O-CD1 3.06Å
556C92.4Very high86.6Confident4 Ų432.2 Ų32.23%0.02717%0.174CC..EExtended strand (participates in β ladder)trans-125.5119.5170.7179.50000107.6E543 S568 F569 W632 L645 L650E543-C556 WeakPolarHBondContact OE1-CA 3.26Å; C556-S568 CarbonylContact O-C 3.56Å; C556-S568 VanDerWaalsContact O-CA 3.32Å; C556-S568 WeakPolarHBondContact O-CA 3.38Å; C556-F569 HydrophobicContact CB-CD2 4.1Å; C556-F569 PolarHBondContact N-O 3.06Å; C556-F569 PolarHBondContact O-N 3.2Å; C556-W632 HydrophobicContact CB-CH2 3.49Å; C556-W632 VanDerWaalsContact CB-CH2 3.49Å; C556-W632 HydrophobicContact CB-CZ2 4.49Å; C556-W632 HydrophobicContact CB-CZ3 3.78Å; C556-L645 HydrophobicContact CB-CD1 4.09Å; C556-L650 HydrophobicContact CB-CD1 3.99Å
557V91.8Very high86.8Confident1 Ų132.2 Ų32.21%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-89.9137.8174.8-177.60000107.8L539 V542 E543 I555 V566 I567 P622 R647L539-V557 HydrophobicContact CD2-CB 4.14Å; L539-V557 HydrophobicContact CD2-CG1 3.7Å; V542-V557 HydrophobicContact CB-CG2 4.25Å; V542-V557 HydrophobicContact CG1-CG1 4.44Å; V542-V557 HydrophobicContact CG1-CG2 3.78Å; E543-V557 HydrophobicContact CG-CB 3.94Å; E543-V557 HydrophobicContact CG-CG2 3.58Å; E543-V557 PolarHBondContact OE1-N 3.02Å; I555-V557 HydrophobicContact CD1-CG2 4.34Å; I555-V557 HydrophobicContact CG1-CG2 4.42Å; V557-V566 HydrophobicContact CG1-CB 4.1Å; V557-V566 HydrophobicContact CG1-CG2 4.25Å; V557-I567 WeakPolarHBondContact CA-O 3.36Å; V557-P622 HydrophobicContact CG2-CG 4.36Å; V557-R647 PolarHBondContact O-NH1 3.02Å
558Y90.9Very high87.2Confident39 Ų3930.8 Ų30.815%0.15317%0.168CC..EExtended strand (participates in β ladder)trans-127.9135.8178179.4-88000109.6N560 I567 F569 K651 I658 Y662Y558-N560 HydrophobicContact CE1-CB 4.26Å; Y558-I567 HydrophobicContact CD1-CD1 3.86Å; Y558-I567 HydrophobicContact CD1-CG1 3.93Å; Y558-I567 HydrophobicContact CG-CG1 4.47Å; Y558-I567 PolarHBondContact N-O 3.26Å; Y558-I567 WeakPolarHBondContact O-CG1 3.33Å; Y558-I567 PolarHBondContact O-N 2.91Å; Y558-F569 HydrophobicContact CG-CE2 4.49Å; Y558-K651 HydrophobicContact CE2-CB 4.35Å; Y558-K651 HydrophobicContact CE2-CD 3.88Å; Y558-K651 HydrophobicContact CE2-CG 3.84Å; Y558-K651 WeakPolarHBondContact OH-CE 3.29Å; Y558-I658 HydrophobicContact CD1-CD1 4.42Å; Y558-I658 HydrophobicContact CD1-CG1 4.48Å; Y558-I658 HydrophobicContact CD1-CG2 4.39Å; Y558-I658 HydrophobicContact CD2-CD1 4.38Å; Y558-I658 HydrophobicContact CE1-CD1 4.27Å; Y558-I658 HydrophobicContact CE1-CG2 3.83Å; Y558-I658 HydrophobicContact CE2-CD1 4.25Å; Y558-I658 HydrophobicContact CG-CD1 4.46Å; Y558-Y662 AromaticContact CD1-CE2 3.8Å; Y558-Y662 HydrophobicContact CD1-CE2 3.8Å; Y558-Y662 AromaticContact CE1-CE2 3.76Å; Y558-Y662 HydrophobicContact CE1-CE2 3.76Å; Y558-Y662 PolarHBondContact O-OH 3.14Å
559A86.1Confident87.9Confident8 Ų828.2 Ų28.27%0.06615%0.152CC..  trans-128.4145.9176.900000109.3V529 L531 L539 V566V529-A559 HydrophobicContact CB-CB 3.77Å; V529-A559 HydrophobicContact CG1-CB 3.68Å; V529-A559 HydrophobicContact CG2-CB 4.14Å; L531-A559 HydrophobicContact CD2-CB 4.2Å; L539-A559 HydrophobicContact CD2-CB 3.88Å; A559-V566 HydrophobicContact CB-CG1 3.64Å
560N82.6Confident88.3Confident40 Ų4028.1 Ų28.121%0.21415%0.151CC..  trans-121.2133.8171.3-177.8-4.4000108.4Y558 E562 Q563 Y662Y558-N560 HydrophobicContact CE1-CB 4.26Å; N560-E562 PolarHBondContact O-N 3.2Å; N560-E562 PolarHBondContact OD1-N 3.22Å; N560-E562 VanDerWaalsContact OD1-N 3.12Å; N560-Q563 HydrophobicContact CB-CB 4.32Å; N560-Q563 HydrophobicContact CB-CG 3.93Å; N560-Q563 WeakPolarHBondContact O-CB 3.42Å; N560-Q563 PolarHBondContact O-N 2.98Å; N560-Y662 HydrophobicContact CB-CE2 4.15Å
561S79Confident88.7Confident64 Ų6426.4 Ų26.445%0.44814%0.137SC..THydrogen-bonded Turntrans-66.4-19179.9-65.20000114.7K530 Q532 Q563K530-S561 WeakPolarHBondContact O-CA 3.39Å; K530-S561 WeakPolarHBondContact O-CB 3.27Å; K530-S561 PolarHBondContact O-OG 3.31Å; Q532-S561 WeakPolarHBondContact CA-O 3.33Å; Q532-S561 PolarHBondContact N-O 2.89Å; S561-Q563 PolarHBondContact O-N 3.06Å
562E79.1Confident88.9Confident112 Ų11225.8 Ų25.852%0.52313%0.133SC..THydrogen-bonded Turntrans-79-0.8172.1-60.8-179.5170.400113.4N560 R664N560-E562 PolarHBondContact O-N 3.2Å; N560-E562 PolarHBondContact OD1-N 3.22Å; N560-E562 VanDerWaalsContact OD1-N 3.12Å; E562-R664 IonicContact OE2-NH2 3.53Å; E562-R664 PolarHBondContact OE2-NH2 2.79Å; E562-R664 VanDerWaalsContact OE2-NH2 3.08Å
563Q83.9Confident88.8Confident44 Ų4427.2 Ų27.221%0.20614%0.141CC..  trans-124.2155.1-170.3-59.7-70-33.300111.2Q532 N560 S561 Y662Q532-Q563 PolarHBondContact N-O 2.81Å; N560-Q563 HydrophobicContact CB-CB 4.32Å; N560-Q563 HydrophobicContact CB-CG 3.93Å; N560-Q563 WeakPolarHBondContact O-CB 3.42Å; N560-Q563 PolarHBondContact O-N 2.98Å; S561-Q563 PolarHBondContact O-N 3.06Å; Q563-Y662 HydrophobicContact CB-CD1 3.91Å; Q563-Y662 HydrophobicContact CB-CE1 3.54Å; Q563-Y662 HydrophobicContact CG-CD1 3.4Å; Q563-Y662 HydrophobicContact CG-CE1 3.52Å; Q563-Y662 HydrophobicContact CG-CG 3.98Å
564N84.5Confident88.9Confident86 Ų8629.5 Ų29.546%0.4615%0.149SC..SBendtrans-96.85.1-178.8-65.3-46.5000113.6Q532 A533Q532-N564 VanDerWaalsContact CB-OD1 3.23Å; Q532-N564 WeakPolarHBondContact CB-OD1 3.46Å; Q532-N564 PolarHBondContact OE1-ND2 2.93Å; Q532-N564 PolarHBondContact OE1-OD1 2.99Å; A533-N564 PolarHBondContact N-OD1 3.27Å
565Y87.3Confident88.8Confident56 Ų5636.8 Ų36.822%0.2218%0.181CC..SBendtrans-149.9159.6-176.963.8-87.3000112I567 V623 M661 Y662Y565-I567 HydrophobicContact CD2-CG2 4.1Å; Y565-I567 HydrophobicContact CE2-CG2 3.84Å; Y565-V623 HydrophobicContact CD2-CB 3.9Å; Y565-V623 HydrophobicContact CD2-CG2 4.23Å; Y565-V623 HydrophobicContact CG-CB 4.37Å; Y565-V623 HydrophobicContact CG-CG2 4.25Å; Y565-M661 PolarHBondContact OH-O 2.97Å; Y565-Y662 AromaticContact CD2-CE1 3.97Å; Y565-Y662 HydrophobicContact CD2-CE1 3.97Å; Y565-Y662 HydrophobicContact CE1-CD1 4.27Å; Y565-Y662 HydrophobicContact CE1-CE1 4.36Å; Y565-Y662 AromaticContact CE2-CD1 3.76Å; Y565-Y662 HydrophobicContact CE2-CD1 3.76Å; Y565-Y662 AromaticContact CE2-CE1 3.58Å; Y565-Y662 HydrophobicContact CE2-CE1 3.58Å; Y565-Y662 AromaticContact CZ-CD1 3.59Å; Y565-Y662 AromaticContact CZ-CE1 3.81Å; Y565-Y662 WeakPolarHBondContact O-CE1 3.4Å; Y565-Y662 PolarHBondContact O-OH 2.99Å; Y565-Y662 WeakPolarHBondContact OH-CD1 3.16Å
566V91.3Very high88.5Confident0 Ų040.6 Ų40.60%020%0.197CC..  trans-102154.8178.2-60.20000111.8L531 V537 V557 A559 E620 P622 V623L531-V566 HydrophobicContact CD2-CG1 4.12Å; V537-V566 HydrophobicContact CB-CG1 4.42Å; V537-V566 HydrophobicContact CG1-CG1 4.15Å; V537-V566 HydrophobicContact CG2-CG1 4.12Å; V557-V566 HydrophobicContact CG1-CB 4.1Å; V557-V566 HydrophobicContact CG1-CG2 4.25Å; A559-V566 HydrophobicContact CB-CG1 3.64Å; V566-E620 WeakPolarHBondContact CG2-O 3.44Å; V566-P622 HydrophobicContact CG2-CG 4.42Å; V566-P622 WeakPolarHBondContact O-CA 3.16Å; V566-V623 PolarHBondContact O-N 2.92Å
567I93.4Very high88.3Confident0 Ų040.4 Ų40.40%020%0.196CC..EExtended strand (participates in β ladder)trans-124.4167.6177.661.3166.7000109.5V557 Y558 Y565 F569 K624 I658 M661 Y662V557-I567 WeakPolarHBondContact CA-O 3.36Å; Y558-I567 HydrophobicContact CD1-CD1 3.86Å; Y558-I567 HydrophobicContact CD1-CG1 3.93Å; Y558-I567 HydrophobicContact CG-CG1 4.47Å; Y558-I567 PolarHBondContact N-O 3.26Å; Y558-I567 WeakPolarHBondContact O-CG1 3.33Å; Y558-I567 PolarHBondContact O-N 2.91Å; Y565-I567 HydrophobicContact CD2-CG2 4.1Å; Y565-I567 HydrophobicContact CE2-CG2 3.84Å; I567-F569 HydrophobicContact CD1-CZ 4.36Å; I567-K624 WeakPolarHBondContact CA-O 3.29Å; I567-K624 HydrophobicContact CG2-CB 4.09Å; I567-I658 HydrophobicContact CD1-CB 4.48Å; I567-I658 HydrophobicContact CD1-CG1 4.13Å; I567-I658 HydrophobicContact CD1-CG2 4.42Å; I567-M661 HydrophobicContact CB-CE 4.46Å; I567-M661 HydrophobicContact CB-SD 4.07Å; I567-M661 HydrophobicContact CD1-CB 4.12Å; I567-M661 HydrophobicContact CD1-CE 3.65Å; I567-M661 HydrophobicContact CD1-SD 4.22Å; I567-M661 HydrophobicContact CG1-CE 4.49Å; I567-M661 HydrophobicContact CG2-CB 4.15Å; I567-M661 HydrophobicContact CG2-SD 4.37Å; I567-Y662 HydrophobicContact CD1-CD2 3.98Å; I567-Y662 HydrophobicContact CD1-CE2 3.49Å; I567-Y662 VanDerWaalsContact CD1-CE2 3.49Å; I567-Y662 HydrophobicContact CG1-CE2 3.8Å; I567-Y662 HydrophobicContact CG2-CE1 4.07Å; I567-Y662 HydrophobicContact CG2-CE2 4.29Å
568S94.6Very high88.1Confident0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-143.2148.4179.859.30000113.8C556 P622 K624 V625 R626C556-S568 CarbonylContact O-C 3.56Å; C556-S568 VanDerWaalsContact O-CA 3.32Å; C556-S568 WeakPolarHBondContact O-CA 3.38Å; S568-P622 WeakPolarHBondContact OG-CB 3.29Å; S568-K624 PolarHBondContact N-O 2.81Å; S568-K624 PolarHBondContact OG-O 2.83Å; S568-V625 CarbonylContact O-C 3.55Å; S568-V625 VanDerWaalsContact O-CA 3.28Å; S568-V625 WeakPolarHBondContact O-CA 3.31Å; S568-R626 PolarHBondContact O-N 3.04Å
569F94.6Very high88Confident1 Ų145.8 Ų45.80%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-106.2133.2166.3-42.2-73.1000107.8I555 C556 Y558 I567 R626 W632 Y654 I658 M661I555-F569 CarbonylContact C-O 3.57Å; I555-F569 VanDerWaalsContact CA-O 3.31Å; I555-F569 WeakPolarHBondContact CA-O 3.27Å; C556-F569 HydrophobicContact CB-CD2 4.1Å; C556-F569 PolarHBondContact N-O 3.06Å; C556-F569 PolarHBondContact O-N 3.2Å; Y558-F569 HydrophobicContact CG-CE2 4.49Å; I567-F569 HydrophobicContact CD1-CZ 4.36Å; F569-R626 WeakPolarHBondContact CA-O 3.44Å; F569-R626 HydrophobicContact CD1-CB 3.98Å; F569-R626 HydrophobicContact CD1-CG 4.45Å; F569-W632 HydrophobicContact CB-CH2 4.07Å; F569-W632 HydrophobicContact CB-CZ2 3.87Å; F569-W632 WeakPolarHBondContact O-CH2 3.4Å; F569-Y654 HydrophobicContact CB-CD2 4.03Å; F569-Y654 HydrophobicContact CB-CE2 3.85Å; F569-Y654 AromaticContact CD1-CD1 3.89Å; F569-Y654 HydrophobicContact CD1-CD1 3.89Å; F569-Y654 AromaticContact CD1-CD2 3.65Å; F569-Y654 HydrophobicContact CD1-CD2 3.65Å; F569-Y654 HydrophobicContact CD1-CE1 4.48Å; F569-Y654 HydrophobicContact CD1-CE2 4.26Å; F569-Y654 AromaticContact CD1-CG 3.46Å; F569-Y654 HydrophobicContact CD1-CG 3.46Å; F569-Y654 VanDerWaalsContact CD1-CG 3.46Å; F569-Y654 AromaticContact CD2-CD2 3.84Å; F569-Y654 HydrophobicContact CD2-CD2 3.84Å; F569-Y654 HydrophobicContact CD2-CE2 4.39Å; F569-Y654 HydrophobicContact CD2-CG 4.41Å; F569-Y654 HydrophobicContact CE1-CD1 4.36Å; F569-Y654 HydrophobicContact CE1-CD2 4.11Å; F569-Y654 AromaticContact CE1-CG 3.7Å; F569-Y654 HydrophobicContact CE1-CG 3.7Å; F569-Y654 HydrophobicContact CE2-CD2 4.24Å; F569-Y654 HydrophobicContact CG-CD1 4.48Å; F569-Y654 AromaticContact CG-CD2 3.53Å; F569-Y654 HydrophobicContact CG-CD2 3.53Å; F569-Y654 AromaticContact CG-CE2 3.9Å; F569-Y654 HydrophobicContact CG-CE2 3.9Å; F569-Y654 AromaticContact CG-CG 3.88Å; F569-Y654 HydrophobicContact CG-CG 3.88Å; F569-Y654 HydrophobicContact CZ-CD2 4.38Å; F569-Y654 HydrophobicContact CZ-CG 4.26Å; F569-I658 HydrophobicContact CE1-CG1 4.02Å; F569-I658 HydrophobicContact CZ-CD1 3.83Å; F569-I658 HydrophobicContact CZ-CG1 3.46Å; F569-I658 VanDerWaalsContact CZ-CG1 3.46Å; F569-M661 HydrophobicContact CD1-CE 4.09Å; F569-M661 HydrophobicContact CE1-CE 3.48Å; F569-M661 VanDerWaalsContact CE1-CE 3.48Å; F569-M661 HydrophobicContact CZ-CE 4.32Å
570V94.5Very high88Confident0 Ų046.8 Ų46.80%023%0.229CC..EExtended strand (participates in β ladder)trans-127.7125.8-173.6167.40000109.3I552 N554 I555 P572 V603 I607 V625 R626 L627 S628I552-V570 HydrophobicContact CB-CG1 4.42Å; I552-V570 HydrophobicContact CD1-CG1 4.39Å; I552-V570 HydrophobicContact CD1-CG2 4.2Å; I552-V570 HydrophobicContact CG1-CG1 3.88Å; I552-V570 HydrophobicContact CG2-CG1 4.25Å; N554-V570 WeakPolarHBondContact O-CA 3.46Å; I555-V570 HydrophobicContact CB-CG2 4.3Å; I555-V570 HydrophobicContact CD1-CG2 3.95Å; I555-V570 HydrophobicContact CG1-CG2 3.86Å; V570-P572 WeakPolarHBondContact O-CD 3.33Å; V570-V603 HydrophobicContact CG1-CG1 4.46Å; V570-I607 HydrophobicContact CG2-CD1 4.2Å; V570-V625 HydrophobicContact CB-CG2 3.89Å; V570-V625 HydrophobicContact CG2-CG2 3.48Å; V570-V625 VanDerWaalsContact CG2-CG2 3.48Å; V570-R626 PolarHBondContact N-O 3.15Å; V570-L627 HydrophobicContact CB-CD2 4.05Å; V570-L627 HydrophobicContact CG1-CD2 4.01Å; V570-L627 CarbonylContact O-C 3.59Å; V570-L627 WeakPolarHBondContact O-CA 3.49Å; V570-S628 PolarHBondContact O-N 3.16Å
571V92.8Very high88.3Confident11 Ų1144.9 Ų44.97%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-85.3109.6160.2-179.10000106.4D553 N554 P631 W632D553-V571 WeakPolarHBondContact CA-O 3.45Å; D553-V571 HydrophobicContact CB-CG1 4.3Å; D553-V571 PolarHBondContact N-O 3.36Å; N554-V571 HydrophobicContact CB-CB 4.01Å; N554-V571 HydrophobicContact CB-CG2 4.1Å; N554-V571 PolarHBondContact N-O 2.55Å; N554-V571 VanDerWaalsContact N-O 3.16Å; N554-V571 PolarHBondContact O-N 3.13Å; V571-P631 HydrophobicContact CG1-CB 4.5Å; V571-W632 HydrophobicContact CG2-CB 4.38Å; V571-W632 HydrophobicContact CG2-CD2 3.4Å; V571-W632 VanDerWaalsContact CG2-CD2 3.4Å; V571-W632 HydrophobicContact CG2-CE3 4.04Å; V571-W632 HydrophobicContact CG2-CG 3.55Å; V571-W632 HydrophobicContact CG2-CH2 4.41Å; V571-W632 HydrophobicContact CG2-CZ2 3.87Å; V571-W632 HydrophobicContact CG2-CZ3 4.5Å
572P92.1Very high88.8Confident3 Ų349.7 Ų49.72%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-80.3152.7-176.331-29.6000111.5L551 V570 Q574 L577 W590 S628L551-P572 CarbonylContact O-C 3.55Å; L551-P572 VanDerWaalsContact O-CA 3.25Å; L551-P572 WeakPolarHBondContact O-CA 3.44Å; V570-P572 WeakPolarHBondContact O-CD 3.33Å; P572-Q574 PolarHBondContact O-N 3.46Å; P572-Q574 VanDerWaalsContact O-N 3.15Å; P572-L577 HydrophobicContact CB-CB 4.19Å; P572-L577 HydrophobicContact CB-CD1 4.38Å; P572-L577 HydrophobicContact CB-CD2 3.67Å; P572-L577 HydrophobicContact CB-CG 4.28Å; P572-L577 HydrophobicContact CG-CD2 3.64Å; P572-W590 HydrophobicContact CB-CH2 4.42Å; P572-W590 HydrophobicContact CG-CH2 3.72Å; P572-W590 HydrophobicContact CG-CZ2 3.84Å; P572-S628 WeakPolarHBondContact CD-O 3.46Å
573N88.4Confident89.3Confident30 Ų3051.8 Ų51.816%0.1624%0.242CC..  trans-67.9111.4170.6-172.8-79.6000110.2L551 D553 K575 K576 L577L551-N573 PolarHBondContact O-N 2.77Å; D553-N573 WeakPolarHBondContact OD1-CB 3.49Å; D553-N573 PolarHBondContact OD1-ND2 3.48Å; D553-N573 WeakPolarHBondContact OD2-CA 3.48Å; D553-N573 PolarHBondContact OD2-ND2 2.87Å; N573-K575 VanDerWaalsContact C-N 3.32Å; N573-K575 PolarHBondContact O-N 3.45Å; N573-K575 PolarHBondContact OD1-N 2.87Å; N573-K576 HydrophobicContact CB-CB 4.32Å; N573-K576 HydrophobicContact CB-CD 4.42Å; N573-K576 PolarHBondContact O-N 3.18Å; N573-K576 PolarHBondContact OD1-N 2.78Å; N573-L577 WeakPolarHBondContact O-CB 3.37Å; N573-L577 PolarHBondContact O-N 2.9Å
574Q87.3Confident89.4Confident113 Ų11353.9 Ų53.953%0.52825%0.25SS..Hα-helixtrans-55.8-43.5-169.9-169.9177.413.200113.7P572 T578 W590P572-Q574 PolarHBondContact O-N 3.46Å; P572-Q574 VanDerWaalsContact O-N 3.15Å; Q574-T578 VanDerWaalsContact O-CB 3.27Å; Q574-T578 WeakPolarHBondContact O-CB 3.36Å; Q574-T578 PolarHBondContact O-N 3.15Å; Q574-T578 VanDerWaalsContact O-N 3.13Å; Q574-T578 PolarHBondContact O-OG1 2.89Å; Q574-W590 VanDerWaalsContact CA-CH2 3.46Å; Q574-W590 HydrophobicContact CB-CH2 3.94Å; Q574-W590 HydrophobicContact CB-CZ2 4.13Å; Q574-W590 HydrophobicContact CB-CZ3 4.26Å; Q574-W590 HydrophobicContact CG-CD2 4.03Å; Q574-W590 HydrophobicContact CG-CE3 3.83Å; Q574-W590 HydrophobicContact CG-CH2 3.86Å; Q574-W590 HydrophobicContact CG-CZ2 4.02Å; Q574-W590 HydrophobicContact CG-CZ3 3.75Å
575K85.6Confident89.5Confident161 Ų16153 Ų5370%0.726%0.262SS*.Hα-helixtrans-65.3-53-179.7-67.5-176.2179.5-179.60111.2N573 T578 E579N573-K575 VanDerWaalsContact C-N 3.32Å; N573-K575 PolarHBondContact O-N 3.45Å; N573-K575 PolarHBondContact OD1-N 2.87Å; K575-T578 PolarHBondContact O-N 3.31Å; K575-E579 WeakPolarHBondContact O-CG 3.28Å; K575-E579 PolarHBondContact O-N 3.15Å
576K86.4Confident89.4Confident79 Ų7951.2 Ų51.234%0.34326%0.256SS..Hα-helixtrans-69.7-37.5-174.8-68.6174.5175.9177.10112.8A550 L551 N573 T578 E579 L580A550-K576 HydrophobicContact CB-CD 4.24Å; A550-K576 WeakPolarHBondContact O-CD 3.23Å; A550-K576 PolarHBondContact O-NZ 3.39Å; A550-K576 VanDerWaalsContact O-NZ 3.15Å; L551-K576 HydrophobicContact CD2-CB 3.95Å; N573-K576 HydrophobicContact CB-CB 4.32Å; N573-K576 HydrophobicContact CB-CD 4.42Å; N573-K576 PolarHBondContact O-N 3.18Å; N573-K576 PolarHBondContact OD1-N 2.78Å; K576-T578 VanDerWaalsContact C-N 3.33Å; K576-E579 PolarHBondContact O-N 3.02Å; K576-L580 WeakPolarHBondContact O-CB 3.45Å; K576-L580 PolarHBondContact O-N 3.12Å
577L88.6Confident88.7Confident0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-66.1-39.3175.7-168.476000110.9P572 N573 L580 A581 W590 I593 M599 V603 L627P572-L577 HydrophobicContact CB-CB 4.19Å; P572-L577 HydrophobicContact CB-CD1 4.38Å; P572-L577 HydrophobicContact CB-CD2 3.67Å; P572-L577 HydrophobicContact CB-CG 4.28Å; P572-L577 HydrophobicContact CG-CD2 3.64Å; N573-L577 WeakPolarHBondContact O-CB 3.37Å; N573-L577 PolarHBondContact O-N 2.9Å; L577-L580 PolarHBondContact O-N 3.08Å; L577-A581 WeakPolarHBondContact O-CB 3.15Å; L577-A581 PolarHBondContact O-N 3.32Å; L577-W590 HydrophobicContact CB-CH2 4.21Å; L577-W590 HydrophobicContact CB-CZ3 4.2Å; L577-W590 HydrophobicContact CD2-CH2 3.76Å; L577-W590 HydrophobicContact CD2-CZ3 3.86Å; L577-W590 HydrophobicContact CG-CZ3 4.47Å; L577-I593 HydrophobicContact CD2-CG2 4.09Å; L577-I593 HydrophobicContact CG-CG2 4.38Å; L577-M599 HydrophobicContact CD1-CE 3.38Å; L577-M599 HydrophobicContact CG-CE 3.75Å; L577-V603 HydrophobicContact CD1-CG2 3.64Å; L577-L627 HydrophobicContact CD2-CD1 4.17Å
578T87.6Confident88.2Confident40 Ų4056.7 Ų56.725%0.24531%0.313CS..Hα-helixtrans-66.2-38.6176.3-56.90000111.7Q574 K575 K576 A581 K582Q574-T578 VanDerWaalsContact O-CB 3.27Å; Q574-T578 WeakPolarHBondContact O-CB 3.36Å; Q574-T578 PolarHBondContact O-N 3.15Å; Q574-T578 VanDerWaalsContact O-N 3.13Å; Q574-T578 PolarHBondContact O-OG1 2.89Å; K575-T578 PolarHBondContact O-N 3.31Å; K576-T578 VanDerWaalsContact C-N 3.33Å; T578-A581 PolarHBondContact O-N 3Å; T578-K582 WeakPolarHBondContact O-CG 3.38Å; T578-K582 PolarHBondContact O-N 2.61Å
579E87.9Confident87.8Confident113 Ų11363.9 Ų63.953%0.52834%0.344SS..Hα-helixtrans-62.6-44.2173-75.3170.1-172.800111.8K575 K576 K582 Q583K575-E579 WeakPolarHBondContact O-CG 3.28Å; K575-E579 PolarHBondContact O-N 3.15Å; K576-E579 PolarHBondContact O-N 3.02Å; E579-K582 PolarHBondContact O-N 3.26Å; E579-Q583 WeakPolarHBondContact O-CG 3.41Å; E579-Q583 PolarHBondContact O-N 2.77Å
580L87.6Confident87.4Confident29 Ų2966.2 Ų66.215%0.15235%0.353CS..Hα-helixtrans-63.4-43.1176.3-177.463.8000111.8L551 K576 L577 K582 Q583 K584 M599 E602L551-L580 HydrophobicContact CD1-CD2 3.86Å; L551-L580 HydrophobicContact CD2-CD2 4.28Å; K576-L580 WeakPolarHBondContact O-CB 3.45Å; K576-L580 PolarHBondContact O-N 3.12Å; L577-L580 PolarHBondContact O-N 3.08Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 2.97Å; L580-Q583 PolarHBondContact O-N 3.16Å; L580-K584 WeakPolarHBondContact O-CG 3.32Å; L580-K584 PolarHBondContact O-N 3.23Å; L580-M599 HydrophobicContact CB-CE 4.41Å; L580-M599 HydrophobicContact CD2-CE 4.12Å; L580-M599 HydrophobicContact CG-CE 4.22Å; L580-E602 HydrophobicContact CD2-CB 4.22Å
581A88.9Confident87.1Confident1 Ų172 Ų721%0.00838%0.38CS..Hα-helixtrans-59.9-44176.700000111.4L577 T578 Q583 K584 G585 I586 I593 M599L577-A581 WeakPolarHBondContact O-CB 3.15Å; L577-A581 PolarHBondContact O-N 3.32Å; T578-A581 PolarHBondContact O-N 3Å; A581-Q583 PolarHBondContact O-N 2.81Å; A581-K584 CarbonylContact O-C 3.53Å; A581-K584 PolarHBondContact O-N 3.33Å; A581-G585 PolarHBondContact O-N 2.95Å; A581-G585 VanDerWaalsContact O-N 3.09Å; A581-I586 CarbonylContact C-O 3.5Å; A581-I586 HydrophobicContact CB-CB 4.34Å; A581-I586 PolarHBondContact O-N 3.42Å; A581-I593 HydrophobicContact CB-CD1 4.32Å; A581-I593 HydrophobicContact CB-CG2 3.87Å; A581-M599 HydrophobicContact CB-CE 4.04Å; A581-M599 HydrophobicContact CB-SD 4.01Å
582K89.1Confident86.8Confident164 Ų16476.6 Ų76.671%0.71340%0.401SS*.Hα-helixtrans-60.2-42.9174.4-74.4175.9-179.5-179.20112.5T578 E579 L580 K584 G585T578-K582 WeakPolarHBondContact O-CG 3.38Å; T578-K582 PolarHBondContact O-N 2.61Å; E579-K582 PolarHBondContact O-N 3.26Å; L580-K582 VanDerWaalsContact C-N 3.34Å; L580-K582 PolarHBondContact O-N 2.97Å; K582-K584 PolarHBondContact O-N 2.94Å; K582-G585 PolarHBondContact O-N 3.47Å
583Q88.6Confident86.6Confident156 Ų15677 Ų7773%0.72940%0.402SS*.Hα-helixtrans-63.4-31.4177.6-71.6172.613.200112.6E579 L580 A581E579-Q583 WeakPolarHBondContact O-CG 3.41Å; E579-Q583 PolarHBondContact O-N 2.77Å; L580-Q583 PolarHBondContact O-N 3.16Å; A581-Q583 PolarHBondContact O-N 2.81Å
584K87.3Confident86.6Confident88 Ų8875.5 Ų75.538%0.38340%0.395SS..THydrogen-bonded Turntrans-88.1-1.3177.9-65.9-76.1-179.5154.40113.6L580 A581 K582 I586 E602L580-K584 WeakPolarHBondContact O-CG 3.32Å; L580-K584 PolarHBondContact O-N 3.23Å; A581-K584 CarbonylContact O-C 3.53Å; A581-K584 PolarHBondContact O-N 3.33Å; K582-K584 PolarHBondContact O-N 2.94Å; K584-I586 HydrophobicContact CB-CD1 3.99Å; K584-I586 HydrophobicContact CB-CG1 4.17Å; K584-I586 PolarHBondContact O-N 3.05Å; K584-E602 WeakPolarHBondContact CE-OE2 3.36Å; K584-E602 IonicContact NZ-OE1 3.56Å; K584-E602 PolarHBondContact NZ-OE1 3.05Å; K584-E602 IonicContact NZ-OE2 3.66Å; K584-E602 PolarHBondContact NZ-OE2 3.28Å
585G86.3Confident86.6Confident69 Ų6974 Ų7471%0.71139%0.39SS*.THydrogen-bonded Turntrans72.116.3-176.700000114.2A581 K582 G587A581-G585 PolarHBondContact O-N 2.95Å; A581-G585 VanDerWaalsContact O-N 3.09Å; K582-G585 PolarHBondContact O-N 3.47Å; G585-G587 PolarHBondContact O-N 2.82Å
586I84.9Confident86.8Confident18 Ų1869.9 Ų69.99%0.09237%0.373CS..  trans-88.6104.3177.8-60.6167.2000107.8A581 K584 E598 M599A581-I586 CarbonylContact C-O 3.5Å; A581-I586 HydrophobicContact CB-CB 4.34Å; A581-I586 PolarHBondContact O-N 3.42Å; K584-I586 HydrophobicContact CB-CD1 3.99Å; K584-I586 HydrophobicContact CB-CG1 4.17Å; K584-I586 PolarHBondContact O-N 3.05Å; I586-E598 HydrophobicContact CD1-CB 4.02Å; I586-E598 HydrophobicContact CD1-CG 4.19Å; I586-M599 HydrophobicContact CD1-CG 3.96Å; I586-M599 HydrophobicContact CD1-SD 3.53Å; I586-M599 VanDerWaalsContact CD1-SD 3.53Å; I586-M599 HydrophobicContact CG2-CG 4.39Å
587G76.7Confident86.8Confident69 Ų6971.6 Ų71.671%0.71139%0.385SS*.  trans-99.4156.9174.200000111.8G585G585-G587 PolarHBondContact O-N 2.82Å
588G82.3Confident86.8Confident46 Ų4675.7 Ų75.747%0.47440%0.404SS..SBendtrans154.6177.7176.800000112.7E592G588-E592 WeakPolarHBondContact CA-OE2 3.23Å
589K86.1Confident87Confident150 Ų15073.8 Ų73.865%0.65239%0.393SS*.  trans-67158.7166.5-68179.3-179.5175.70110E591 E592 I593K589-E591 VanDerWaalsContact C-N 3.25Å; K589-E591 PolarHBondContact O-N 2.83Å; K589-E592 HydrophobicContact CB-CG 4.3Å; K589-E592 PolarHBondContact N-OE2 3.11Å; K589-E592 WeakPolarHBondContact O-CB 3.03Å; K589-E592 PolarHBondContact O-N 3.1Å; K589-I593 PolarHBondContact O-N 3.24Å
590W87.4Confident87.2Confident51 Ų5169.3 Ų69.319%0.19337%0.372CS..Hα-helixtrans-51.6-43.9-178.7174.1-117.8000113.2P572 Q574 L577 E592 I593 C594 P629P572-W590 HydrophobicContact CB-CH2 4.42Å; P572-W590 HydrophobicContact CG-CH2 3.72Å; P572-W590 HydrophobicContact CG-CZ2 3.84Å; Q574-W590 VanDerWaalsContact CA-CH2 3.46Å; Q574-W590 HydrophobicContact CB-CH2 3.94Å; Q574-W590 HydrophobicContact CB-CZ2 4.13Å; Q574-W590 HydrophobicContact CB-CZ3 4.26Å; Q574-W590 HydrophobicContact CG-CD2 4.03Å; Q574-W590 HydrophobicContact CG-CE3 3.83Å; Q574-W590 HydrophobicContact CG-CH2 3.86Å; Q574-W590 HydrophobicContact CG-CZ2 4.02Å; Q574-W590 HydrophobicContact CG-CZ3 3.75Å; L577-W590 HydrophobicContact CB-CH2 4.21Å; L577-W590 HydrophobicContact CB-CZ3 4.2Å; L577-W590 HydrophobicContact CD2-CH2 3.76Å; L577-W590 HydrophobicContact CD2-CZ3 3.86Å; L577-W590 HydrophobicContact CG-CZ3 4.47Å; W590-E592 VanDerWaalsContact C-N 3.34Å; W590-E592 PolarHBondContact O-N 3.2Å; W590-I593 PolarHBondContact O-N 3.44Å; W590-C594 VanDerWaalsContact CZ2-SG 3.56Å; W590-C594 PolarHBondContact O-N 2.98Å; W590-P629 PolarHBondContact NE1-O 3.43Å
591E86.9Confident87.3Confident121 Ų12174.8 Ų74.857%0.56540%0.395SS*.Hα-helixtrans-62.8-38.7177.1-69152.6-162.200112.5K589 C594 N595 P629K589-E591 VanDerWaalsContact C-N 3.25Å; K589-E591 PolarHBondContact O-N 2.83Å; E591-C594 PolarHBondContact O-N 3.26Å; E591-N595 WeakPolarHBondContact O-CB 3.35Å; E591-N595 VanDerWaalsContact O-CG 3.23Å; E591-N595 PolarHBondContact O-N 2.84Å; E591-N595 PolarHBondContact O-ND2 2.76Å; E591-P629 HydrophobicContact CG-CB 4.04Å; E591-P629 HydrophobicContact CG-CG 4.31Å
592E86.4Confident87.4Confident108 Ų10876.8 Ų76.851%0.50540%0.404SS..Hα-helixtrans-67.2-40.7178.1-64.1165.9-178.500110.8G588 K589 W590 N595 H596G588-E592 WeakPolarHBondContact CA-OE2 3.23Å; K589-E592 HydrophobicContact CB-CG 4.3Å; K589-E592 PolarHBondContact N-OE2 3.11Å; K589-E592 WeakPolarHBondContact O-CB 3.03Å; K589-E592 PolarHBondContact O-N 3.1Å; W590-E592 VanDerWaalsContact C-N 3.34Å; W590-E592 PolarHBondContact O-N 3.2Å; E592-N595 CarbonylContact O-C 3.56Å; E592-N595 PolarHBondContact O-N 2.84Å; E592-H596 PolarHBondContact O-N 3.13Å
593I88.1Confident87.6Confident10 Ų1069 Ų695%0.05137%0.37CS..Hα-helixtrans-62-45.1176.1-62.8170.9000110.4L577 A581 K589 W590 N595 H596 M599L577-I593 HydrophobicContact CD2-CG2 4.09Å; L577-I593 HydrophobicContact CG-CG2 4.38Å; A581-I593 HydrophobicContact CB-CD1 4.32Å; A581-I593 HydrophobicContact CB-CG2 3.87Å; K589-I593 PolarHBondContact O-N 3.24Å; W590-I593 PolarHBondContact O-N 3.44Å; I593-N595 VanDerWaalsContact C-N 3.3Å; I593-N595 PolarHBondContact O-N 2.7Å; I593-H596 PolarHBondContact O-N 3.13Å; I593-M599 HydrophobicContact CG2-CE 4.4Å; I593-M599 HydrophobicContact CG2-CG 4.12Å; I593-M599 WeakPolarHBondContact O-CB 3.48Å; I593-M599 WeakPolarHBondContact O-CG 3.35Å
594C88.2Confident87.8Confident0 Ų063 Ų630%034%0.343CS..Hα-helixtrans-67.2-29.4176.7-690000113W590 E591 H596 L627 P629W590-C594 VanDerWaalsContact CZ2-SG 3.56Å; W590-C594 PolarHBondContact O-N 2.98Å; E591-C594 PolarHBondContact O-N 3.26Å; C594-H596 VanDerWaalsContact C-N 3.34Å; C594-L627 HydrophobicContact CB-CB 4.13Å; C594-L627 WeakPolarHBondContact O-CB 3.36Å; C594-P629 HydrophobicContact CB-CB 4.06Å
595N87.8Confident88Confident80 Ų8064.4 Ų64.443%0.42835%0.349SS..Hα-helixtrans-86-4.1178.2-71-39.3000114E591 E592 I593 L597 R626E591-N595 WeakPolarHBondContact O-CB 3.35Å; E591-N595 VanDerWaalsContact O-CG 3.23Å; E591-N595 PolarHBondContact O-N 2.84Å; E591-N595 PolarHBondContact O-ND2 2.76Å; E592-N595 CarbonylContact O-C 3.56Å; E592-N595 PolarHBondContact O-N 2.84Å; I593-N595 VanDerWaalsContact C-N 3.3Å; I593-N595 PolarHBondContact O-N 2.7Å; N595-L597 PolarHBondContact O-N 2.85Å; N595-R626 VanDerWaalsContact OD1-CZ 3.26Å; N595-R626 PolarHBondContact OD1-NH1 2.79Å; N595-R626 PolarHBondContact OD1-NH2 3.09Å
596H88.9Confident88.2Confident75 Ų7564 Ų6435%0.34733%0.328SS..  trans-78.6122.4-177-158.9-87.9000111.8E592 I593 C594 E598 M599 E600E592-H596 PolarHBondContact O-N 3.13Å; I593-H596 PolarHBondContact O-N 3.13Å; C594-H596 VanDerWaalsContact C-N 3.34Å; H596-E598 IonicContact CE1-OE2 3.52Å; H596-E598 VanDerWaalsContact ND1-CB 3.3Å; H596-E598 WeakPolarHBondContact ND1-CB 3.27Å; H596-E598 PolarHBondContact ND1-N 2.84Å; H596-E598 PolarHBondContact O-N 3.47Å; H596-M599 HydrophobicContact CB-CB 4.29Å; H596-M599 HydrophobicContact CB-CG 3.99Å; H596-M599 WeakPolarHBondContact O-CB 3.35Å; H596-M599 PolarHBondContact O-N 2.84Å; H596-E600 PolarHBondContact O-N 2.94Å; H596-E600 VanDerWaalsContact O-N 3.15Å
597L87.4Confident88.5Confident115 Ų11563.1 Ų63.160%0.60232%0.324SS*.Hα-helixtrans-58.1-33.2-178.4-74.8165.1000113.5N595 K601N595-L597 PolarHBondContact O-N 2.85Å; L597-K601 WeakPolarHBondContact O-CG 3.4Å; L597-K601 PolarHBondContact O-N 2.95Å; L597-K601 VanDerWaalsContact O-N 3.15Å
598E88.6Confident89.1Confident86 Ų8665 Ų6540%0.40232%0.315SS..Hα-helixtrans-69-35.4176.5-162.1176.317200111.8I586 H596 K601 E602I586-E598 HydrophobicContact CD1-CB 4.02Å; I586-E598 HydrophobicContact CD1-CG 4.19Å; H596-E598 IonicContact CE1-OE2 3.52Å; H596-E598 VanDerWaalsContact ND1-CB 3.3Å; H596-E598 WeakPolarHBondContact ND1-CB 3.27Å; H596-E598 PolarHBondContact ND1-N 2.84Å; H596-E598 PolarHBondContact O-N 3.47Å; E598-K601 WeakPolarHBondContact O-CB 3.23Å; E598-K601 PolarHBondContact O-N 3.38Å; E598-E602 WeakPolarHBondContact O-CG 2.94Å; E598-E602 PolarHBondContact O-N 3.24Å
599M91.6Very high89.5Confident0 Ų066.8 Ų66.80%031%0.311CS..Hα-helixtrans-68.9-39.4176.1-66.6-56.3-57.500111.3L577 L580 A581 I586 I593 H596 K601 E602 V603 L627L577-M599 HydrophobicContact CD1-CE 3.38Å; L577-M599 HydrophobicContact CG-CE 3.75Å; L580-M599 HydrophobicContact CB-CE 4.41Å; L580-M599 HydrophobicContact CD2-CE 4.12Å; L580-M599 HydrophobicContact CG-CE 4.22Å; A581-M599 HydrophobicContact CB-CE 4.04Å; A581-M599 HydrophobicContact CB-SD 4.01Å; I586-M599 HydrophobicContact CD1-CG 3.96Å; I586-M599 HydrophobicContact CD1-SD 3.53Å; I586-M599 VanDerWaalsContact CD1-SD 3.53Å; I586-M599 HydrophobicContact CG2-CG 4.39Å; I593-M599 HydrophobicContact CG2-CE 4.4Å; I593-M599 HydrophobicContact CG2-CG 4.12Å; I593-M599 WeakPolarHBondContact O-CB 3.48Å; I593-M599 WeakPolarHBondContact O-CG 3.35Å; H596-M599 HydrophobicContact CB-CB 4.29Å; H596-M599 HydrophobicContact CB-CG 3.99Å; H596-M599 WeakPolarHBondContact O-CB 3.35Å; H596-M599 PolarHBondContact O-N 2.84Å; M599-K601 VanDerWaalsContact C-N 3.29Å; M599-K601 PolarHBondContact O-N 2.84Å; M599-E602 PolarHBondContact O-N 3.15Å; M599-V603 WeakPolarHBondContact O-CG2 3.47Å; M599-V603 PolarHBondContact O-N 3.4Å; M599-L627 HydrophobicContact CB-CD1 4.05Å
600E91.6Very high89.5Confident19 Ų1960.2 Ų60.29%0.08928%0.284CS..Hα-helixtrans-56.9-43.2171.3-74.3-178.5169.700111.1H596 L604 V625 R626 L627 R660H596-E600 PolarHBondContact O-N 2.94Å; H596-E600 VanDerWaalsContact O-N 3.15Å; E600-L604 VanDerWaalsContact O-CB 3.3Å; E600-L604 WeakPolarHBondContact O-CB 3.39Å; E600-L604 PolarHBondContact O-N 2.75Å; E600-V625 HydrophobicContact CB-CG1 4.1Å; E600-V625 WeakPolarHBondContact O-CG1 3.5Å; E600-R626 WeakPolarHBondContact OE1-CD 3.42Å; E600-R626 IonicContact OE1-NH1 3.71Å; E600-R626 PolarHBondContact OE1-NH1 3.26Å; E600-L627 HydrophobicContact CG-CD1 4.36Å; E600-L627 HydrophobicContact CG-CG 4.04Å; E600-R660 IonicContact OE1-NH2 3.29Å; E600-R660 PolarHBondContact OE1-NH2 3.34Å; E600-R660 IonicContact OE2-NH2 3.36Å
601K90.8Very high89.4Confident145 Ų14557.9 Ų57.963%0.6328%0.275SS*.Hα-helixtrans-65-42.8177.5-72.5175.3-177.6178.10113.3L597 E598 M599 L604 K605L597-K601 WeakPolarHBondContact O-CG 3.4Å; L597-K601 PolarHBondContact O-N 2.95Å; L597-K601 VanDerWaalsContact O-N 3.15Å; E598-K601 WeakPolarHBondContact O-CB 3.23Å; E598-K601 PolarHBondContact O-N 3.38Å; M599-K601 VanDerWaalsContact C-N 3.29Å; M599-K601 PolarHBondContact O-N 2.84Å; K601-L604 PolarHBondContact O-N 3.26Å; K601-K605 PolarHBondContact O-N 3.34Å
602E91.4Very high89.4Confident43 Ų4355.6 Ų55.620%0.20128%0.277CS..Hα-helixtrans-67.2-41.2179.2-68.1-67148.800111.5L580 K584 E598 M599 L604 K605 E606L580-E602 HydrophobicContact CD2-CB 4.22Å; K584-E602 WeakPolarHBondContact CE-OE2 3.36Å; K584-E602 IonicContact NZ-OE1 3.56Å; K584-E602 PolarHBondContact NZ-OE1 3.05Å; K584-E602 IonicContact NZ-OE2 3.66Å; K584-E602 PolarHBondContact NZ-OE2 3.28Å; E598-E602 WeakPolarHBondContact O-CG 2.94Å; E598-E602 PolarHBondContact O-N 3.24Å; M599-E602 PolarHBondContact O-N 3.15Å; E602-L604 VanDerWaalsContact C-N 3.35Å; E602-K605 WeakPolarHBondContact O-CB 3.35Å; E602-K605 PolarHBondContact O-N 2.86Å; E602-E606 PolarHBondContact O-N 3.12Å; E602-E606 VanDerWaalsContact O-N 3.12Å
603V92.1Very high89.3Confident0 Ų057.6 Ų57.60%028%0.284CS..Hα-helixtrans-64.5-41.5174.8174.30000110.9L551 V570 L577 M599 K605 E606 I607 L627L551-V603 HydrophobicContact CD1-CG2 4.29Å; V570-V603 HydrophobicContact CG1-CG1 4.46Å; L577-V603 HydrophobicContact CD1-CG2 3.64Å; M599-V603 WeakPolarHBondContact O-CG2 3.47Å; M599-V603 PolarHBondContact O-N 3.4Å; V603-K605 VanDerWaalsContact C-N 3.31Å; V603-K605 PolarHBondContact O-N 2.62Å; V603-E606 PolarHBondContact O-N 2.82Å; V603-I607 HydrophobicContact CG1-CD1 4.02Å; V603-I607 WeakPolarHBondContact O-CG1 3.37Å; V603-I607 PolarHBondContact O-N 2.81Å; V603-L627 HydrophobicContact CB-CD2 4.05Å; V603-L627 HydrophobicContact CG1-CD2 3.88Å; V603-L627 HydrophobicContact CG2-CD1 4.1Å; V603-L627 HydrophobicContact CG2-CD2 3.94Å
604L92.9Very high88.8Confident31 Ų3160.6 Ų60.616%0.16230%0.299CS..Hα-helixtrans-60.3-41.5175.3-178.964.7000111.9E600 K601 E602 E606 I607 M608 P622 V623 V625E600-L604 VanDerWaalsContact O-CB 3.3Å; E600-L604 WeakPolarHBondContact O-CB 3.39Å; E600-L604 PolarHBondContact O-N 2.75Å; K601-L604 PolarHBondContact O-N 3.26Å; E602-L604 VanDerWaalsContact C-N 3.35Å; L604-E606 PolarHBondContact O-N 2.89Å; L604-I607 WeakPolarHBondContact O-CB 3.38Å; L604-I607 PolarHBondContact O-N 2.73Å; L604-M608 HydrophobicContact CG-SD 4.46Å; L604-M608 WeakPolarHBondContact O-CG 3.06Å; L604-M608 PolarHBondContact O-N 2.85Å; L604-P622 VanDerWaalsContact CD1-O 3.27Å; L604-P622 WeakPolarHBondContact CD1-O 3.43Å; L604-V623 WeakPolarHBondContact CD2-O 3.27Å; L604-V625 HydrophobicContact CB-CG1 3.97Å
605K92.1Very high88.5Confident116 Ų11669 Ų6950%0.50434%0.336SS..Hα-helixtrans-60-46.4176.6-174-175.5174.2-171.90111.4K601 E602 V603 I607 M608 E609K601-K605 PolarHBondContact O-N 3.34Å; E602-K605 WeakPolarHBondContact O-CB 3.35Å; E602-K605 PolarHBondContact O-N 2.86Å; V603-K605 VanDerWaalsContact C-N 3.31Å; V603-K605 PolarHBondContact O-N 2.62Å; K605-I607 VanDerWaalsContact C-N 3.33Å; K605-I607 PolarHBondContact O-N 3.41Å; K605-M608 PolarHBondContact O-N 3.08Å; K605-E609 WeakPolarHBondContact O-CG 3.35Å; K605-E609 PolarHBondContact O-N 3.25Å
606E90.3Very high88.1Confident61 Ų6166.2 Ų66.229%0.28532%0.321SS..Hα-helixtrans-62.3-40.9176.2-170.569.4-156.200111.5C549 L551 E602 V603 L604 M608 E609 V610C549-E606 VanDerWaalsContact SG-CG 3.54Å; L551-E606 HydrophobicContact CD1-CB 3.89Å; L551-E606 HydrophobicContact CD1-CG 3.94Å; L551-E606 HydrophobicContact CG-CG 4.4Å; E602-E606 PolarHBondContact O-N 3.12Å; E602-E606 VanDerWaalsContact O-N 3.12Å; V603-E606 PolarHBondContact O-N 2.82Å; L604-E606 PolarHBondContact O-N 2.89Å; E606-M608 VanDerWaalsContact C-N 3.33Å; E606-M608 PolarHBondContact O-N 3.04Å; E606-E609 PolarHBondContact O-N 2.9Å; E606-V610 WeakPolarHBondContact O-CG2 3.42Å; E606-V610 PolarHBondContact O-N 3.33Å
607I91.3Very high87.7Confident0 Ų067.9 Ų67.90%033%0.329CS..Hα-helixtrans-57.5-46.3173.8-74.7169000110.9L546 I552 V570 V603 L604 K605 E609 V610 A611 V625L546-I607 HydrophobicContact CD1-CG2 3.95Å; L546-I607 HydrophobicContact CD2-CG2 3.95Å; I552-I607 HydrophobicContact CD1-CD1 3.86Å; I552-I607 HydrophobicContact CD1-CG1 3.7Å; V570-I607 HydrophobicContact CG2-CD1 4.2Å; V603-I607 HydrophobicContact CG1-CD1 4.02Å; V603-I607 WeakPolarHBondContact O-CG1 3.37Å; V603-I607 PolarHBondContact O-N 2.81Å; L604-I607 WeakPolarHBondContact O-CB 3.38Å; L604-I607 PolarHBondContact O-N 2.73Å; K605-I607 VanDerWaalsContact C-N 3.33Å; K605-I607 PolarHBondContact O-N 3.41Å; I607-E609 VanDerWaalsContact C-N 3.34Å; I607-E609 PolarHBondContact O-N 3.18Å; I607-V610 PolarHBondContact O-N 3.25Å; I607-A611 VanDerWaalsContact O-CB 3.24Å; I607-A611 WeakPolarHBondContact O-CB 3.49Å; I607-A611 PolarHBondContact O-N 3.01Å; I607-V625 HydrophobicContact CD1-CG2 4.27Å
608M89.8Confident87.5Confident108 Ų10873.4 Ų73.453%0.53234%0.342SS..Hα-helixtrans-62.8-40.4178.8-69.6177.772.700111.9L604 K605 E606 A611 A612 V621L604-M608 HydrophobicContact CG-SD 4.46Å; L604-M608 WeakPolarHBondContact O-CG 3.06Å; L604-M608 PolarHBondContact O-N 2.85Å; K605-M608 PolarHBondContact O-N 3.08Å; E606-M608 VanDerWaalsContact C-N 3.33Å; E606-M608 PolarHBondContact O-N 3.04Å; M608-A611 PolarHBondContact O-N 2.99Å; M608-A612 WeakPolarHBondContact O-CB 3.48Å; M608-A612 PolarHBondContact O-N 3.45Å; M608-V621 HydrophobicContact CG-CG1 4.31Å
609E88.9Confident87.2Confident83 Ų8371.8 Ų71.839%0.38833%0.333SS..Hα-helixtrans-64.6-42.5176.3-71.2-175.1-163.300112.3K605 E606 I607 K613K605-E609 WeakPolarHBondContact O-CG 3.35Å; K605-E609 PolarHBondContact O-N 3.25Å; E606-E609 PolarHBondContact O-N 2.9Å; I607-E609 VanDerWaalsContact C-N 3.34Å; I607-E609 PolarHBondContact O-N 3.18Å; E609-K613 WeakPolarHBondContact O-CG 3.11Å; E609-K613 PolarHBondContact O-N 3.26Å; E609-K613 VanDerWaalsContact O-N 3.15Å
610V86.7Confident86.9Confident13 Ų1372.2 Ų72.28%0.07934%0.336CS..Hα-helixtrans-66.9-44.6176.3172.20000110.8L546 C549 E606 I607 A612 K613 I614L546-V610 HydrophobicContact CD2-CG1 4.42Å; C549-V610 HydrophobicContact CB-CG2 4.18Å; E606-V610 WeakPolarHBondContact O-CG2 3.42Å; E606-V610 PolarHBondContact O-N 3.33Å; I607-V610 PolarHBondContact O-N 3.25Å; V610-A612 VanDerWaalsContact C-N 3.32Å; V610-A612 PolarHBondContact O-N 3.34Å; V610-K613 WeakPolarHBondContact O-CB 3.15Å; V610-K613 PolarHBondContact O-N 3.39Å; V610-K613 VanDerWaalsContact O-N 3.17Å; V610-I614 HydrophobicContact CG1-CD1 3.54Å; V610-I614 HydrophobicContact CG1-CG1 4.39Å; V610-I614 VanDerWaalsContact O-CG1 3.32Å; V610-I614 WeakPolarHBondContact O-CG1 3.23Å; V610-I614 PolarHBondContact O-N 3.09Å
611A86.6Confident86.8Confident1 Ų172.3 Ų72.31%0.00834%0.337CS..Hα-helixtrans-58.7-43177.500000112.1L546 I607 M608 I614 K615 L616 V621L546-A611 HydrophobicContact CD2-CB 4.19Å; I607-A611 VanDerWaalsContact O-CB 3.24Å; I607-A611 WeakPolarHBondContact O-CB 3.49Å; I607-A611 PolarHBondContact O-N 3.01Å; M608-A611 PolarHBondContact O-N 2.99Å; A611-I614 CarbonylContact O-C 3.5Å; A611-I614 PolarHBondContact O-N 3.03Å; A611-K615 PolarHBondContact O-N 2.84Å; A611-L616 HydrophobicContact CB-CB 4.3Å; A611-L616 HydrophobicContact CB-CD1 3.97Å; A611-L616 PolarHBondContact O-N 2.8Å; A611-V621 HydrophobicContact CB-CB 4.43Å; A611-V621 HydrophobicContact CB-CG1 3.87Å; A611-V621 HydrophobicContact CB-CG2 3.69Å
612A86.1Confident86.9Confident73 Ų7365.5 Ų65.560%0.60331%0.308SS*.Hα-helixtrans-63.3-42.2175.700000112.2M608 V610 I614 K615M608-A612 WeakPolarHBondContact O-CB 3.48Å; M608-A612 PolarHBondContact O-N 3.45Å; V610-A612 VanDerWaalsContact C-N 3.32Å; V610-A612 PolarHBondContact O-N 3.34Å; A612-I614 VanDerWaalsContact C-N 3.29Å; A612-I614 PolarHBondContact O-N 3Å; A612-K615 PolarHBondContact O-N 3.06Å; A612-K615 VanDerWaalsContact O-N 3.17Å
613K83.1Confident86.9Confident150 Ų15067 Ų6765%0.65232%0.32SS*.Hα-helixtrans-62.5-36.2176.1-73.6167.1-173159.90112.3E609 V610 K615E609-K613 WeakPolarHBondContact O-CG 3.11Å; E609-K613 PolarHBondContact O-N 3.26Å; E609-K613 VanDerWaalsContact O-N 3.15Å; V610-K613 WeakPolarHBondContact O-CB 3.15Å; V610-K613 PolarHBondContact O-N 3.39Å; V610-K613 VanDerWaalsContact O-N 3.17Å; K613-K615 VanDerWaalsContact C-N 3.29Å
614I79.4Confident86.9Confident73 Ų7370.8 Ų70.837%0.37434%0.336SS..Hα-helixtrans-85.5-4.1-179.7-57.8168.2000111.9A545 V610 A611 A612 L616A545-I614 HydrophobicContact CB-CD1 4.12Å; A545-I614 HydrophobicContact CB-CG2 4.06Å; A545-I614 WeakPolarHBondContact O-CD1 2.99Å; V610-I614 HydrophobicContact CG1-CD1 3.54Å; V610-I614 HydrophobicContact CG1-CG1 4.39Å; V610-I614 VanDerWaalsContact O-CG1 3.32Å; V610-I614 WeakPolarHBondContact O-CG1 3.23Å; V610-I614 PolarHBondContact O-N 3.09Å; A611-I614 CarbonylContact O-C 3.5Å; A611-I614 PolarHBondContact O-N 3.03Å; A612-I614 VanDerWaalsContact C-N 3.29Å; A612-I614 PolarHBondContact O-N 3Å; I614-L616 VanDerWaalsContact C-N 3.33Å
615K80.1Confident87Confident178 Ų17869.6 Ų69.677%0.77433%0.33SS*.THydrogen-bonded Turntrans59.839.2-178.7-52179.7177.2-176.60113A611 A612 K613A611-K615 PolarHBondContact O-N 2.84Å; A612-K615 PolarHBondContact O-N 3.06Å; A612-K615 VanDerWaalsContact O-N 3.17Å; K613-K615 VanDerWaalsContact C-N 3.29Å
616L81.3Confident87.1Confident20 Ų2065.6 Ų65.611%0.10531%0.312CS..  trans-64.2144.6166.6-69.7179.9000109.8V542 A545 L546 A611 I614 E620 V621V542-L616 HydrophobicContact CG1-CD1 4.18Å; A545-L616 HydrophobicContact CB-CD1 4.36Å; A545-L616 HydrophobicContact CB-CD2 4.42Å; L546-L616 HydrophobicContact CD2-CD1 4.19Å; L546-L616 HydrophobicContact CG-CD1 4.36Å; A611-L616 HydrophobicContact CB-CB 4.3Å; A611-L616 HydrophobicContact CB-CD1 3.97Å; A611-L616 PolarHBondContact O-N 2.8Å; I614-L616 VanDerWaalsContact C-N 3.33Å; L616-E620 HydrophobicContact CB-CB 4.43Å; L616-V621 HydrophobicContact CB-CG2 4.1Å
617Q79.8Confident87.2Confident110 Ų11062.7 Ų62.751%0.51430%0.299SS..  trans-70152.3175.9-61.2-60.6-30.700110.3F619 E620 V621Q617-F619 HydrophobicContact CB-CD1 3.79Å; Q617-F619 HydrophobicContact CB-CE1 3.36Å; Q617-F619 HydrophobicContact CB-CE2 4.34Å; Q617-F619 HydrophobicContact CB-CG 4.43Å; Q617-F619 HydrophobicContact CB-CZ 3.67Å; Q617-F619 HydrophobicContact CG-CE1 3.85Å; Q617-F619 HydrophobicContact CG-CZ 3.96Å; Q617-F619 PolarHBondContact O-N 2.9Å; Q617-F619 VanDerWaalsContact O-N 3.15Å; Q617-E620 HydrophobicContact CB-CG 4.08Å; Q617-E620 PolarHBondContact N-OE2 2.78Å; Q617-E620 WeakPolarHBondContact O-CA 3.36Å; Q617-E620 WeakPolarHBondContact O-CB 3.42Å; Q617-E620 PolarHBondContact O-N 2.75Å; Q617-V621 WeakPolarHBondContact O-CG2 3.16Å; Q617-V621 PolarHBondContact O-N 2.83Å
618R83Confident87.2Confident232 Ų23263 Ų6388%0.87530%0.3SS*.G310 helixtrans-56.2-37.4-175.3-173.1178.4177.7-174.7-1113.1E620 V621R618-E620 VanDerWaalsContact C-N 3.31Å; R618-V621 PolarHBondContact O-N 3.07Å
619F81.8Confident87.1Confident51 Ų5159.4 Ų59.422%0.22429%0.285CS..G310 helixtrans-75.5-17.1178.863.9-97.9000113.3L531 E535 V537 Q617L531-F619 HydrophobicContact CD1-CB 4.11Å; L531-F619 HydrophobicContact CD1-CD2 4.43Å; E535-F619 HydrophobicContact CB-CD2 4Å; E535-F619 HydrophobicContact CB-CE2 4.04Å; E535-F619 HydrophobicContact CB-CG 4.28Å; E535-F619 HydrophobicContact CB-CZ 4.34Å; E535-F619 HydrophobicContact CG-CD1 4.35Å; E535-F619 HydrophobicContact CG-CE1 4.42Å; E535-F619 HydrophobicContact CG-CG 4.48Å; V537-F619 HydrophobicContact CG2-CD2 3.7Å; V537-F619 HydrophobicContact CG2-CE2 4.13Å; Q617-F619 HydrophobicContact CB-CD1 3.79Å; Q617-F619 HydrophobicContact CB-CE1 3.36Å; Q617-F619 HydrophobicContact CB-CE2 4.34Å; Q617-F619 HydrophobicContact CB-CG 4.43Å; Q617-F619 HydrophobicContact CB-CZ 3.67Å; Q617-F619 HydrophobicContact CG-CE1 3.85Å; Q617-F619 HydrophobicContact CG-CZ 3.96Å; Q617-F619 PolarHBondContact O-N 2.9Å; Q617-F619 VanDerWaalsContact O-N 3.15Å
620E85.2Confident87Confident10 Ų1060.7 Ų60.75%0.04729%0.291CS..G310 helixtrans-83.3-17.7174.8-66.5179.6133.200112.6V537 K541 V542 V566 L616 Q617 R618V537-E620 HydrophobicContact CG1-CG 4.44Å; K541-E620 IonicContact NZ-OE1 2.76Å; K541-E620 PolarHBondContact NZ-OE1 3.04Å; K541-E620 IonicContact NZ-OE2 2.69Å; K541-E620 PolarHBondContact NZ-OE2 3.15Å; V542-E620 WeakPolarHBondContact CG1-O 3.08Å; V542-E620 HydrophobicContact CG2-CB 3.8Å; V542-E620 HydrophobicContact CG2-CG 4.31Å; V566-E620 WeakPolarHBondContact CG2-O 3.44Å; L616-E620 HydrophobicContact CB-CB 4.43Å; Q617-E620 HydrophobicContact CB-CG 4.08Å; Q617-E620 PolarHBondContact N-OE2 2.78Å; Q617-E620 WeakPolarHBondContact O-CA 3.36Å; Q617-E620 WeakPolarHBondContact O-CB 3.42Å; Q617-E620 PolarHBondContact O-N 2.75Å; R618-E620 VanDerWaalsContact C-N 3.31Å
621V90.4Very high86.9Confident21 Ų2164 Ų6413%0.12731%0.313CS..SBendtrans-83.2126.3-174.7-173.30000110.8M608 A611 L616 Q617 R618 V623M608-V621 HydrophobicContact CG-CG1 4.31Å; A611-V621 HydrophobicContact CB-CB 4.43Å; A611-V621 HydrophobicContact CB-CG1 3.87Å; A611-V621 HydrophobicContact CB-CG2 3.69Å; L616-V621 HydrophobicContact CB-CG2 4.1Å; Q617-V621 WeakPolarHBondContact O-CG2 3.16Å; Q617-V621 PolarHBondContact O-N 2.83Å; R618-V621 PolarHBondContact O-N 3.07Å; V621-V623 PolarHBondContact O-N 2.85Å
622P92.2Very high87Confident1 Ų164.4 Ų64.41%0.00631%0.314CS..  trans-55.6128.6172.7-26.535.7000112.3L546 V557 V566 S568 L604L546-P622 HydrophobicContact CD1-CG 3.81Å; V557-P622 HydrophobicContact CG2-CG 4.36Å; V566-P622 HydrophobicContact CG2-CG 4.42Å; V566-P622 WeakPolarHBondContact O-CA 3.16Å; S568-P622 WeakPolarHBondContact OG-CB 3.29Å; L604-P622 VanDerWaalsContact CD1-O 3.27Å; L604-P622 WeakPolarHBondContact CD1-O 3.43Å
623V92.3Very high86.6Confident75 Ų7562.7 Ų62.746%0.45530%0.297SS..SBendtrans-93.5-21.3178.5-179.30000111.5Y565 V566 L604 V621Y565-V623 HydrophobicContact CD2-CB 3.9Å; Y565-V623 HydrophobicContact CD2-CG2 4.23Å; Y565-V623 HydrophobicContact CG-CB 4.37Å; Y565-V623 HydrophobicContact CG-CG2 4.25Å; V566-V623 PolarHBondContact O-N 2.92Å; L604-V623 WeakPolarHBondContact CD2-O 3.27Å; V621-V623 PolarHBondContact O-N 2.85Å
624K92.7Very high86.1Confident80 Ų8056.7 Ų56.735%0.34827%0.273SS..EExtended strand (participates in β ladder)trans-136.7148.9176.2-61.3-179.3-178.1178.30110.1I567 S568 M661I567-K624 WeakPolarHBondContact CA-O 3.29Å; I567-K624 HydrophobicContact CG2-CB 4.09Å; S568-K624 PolarHBondContact N-O 2.81Å; S568-K624 PolarHBondContact OG-O 2.83Å; K624-M661 HydrophobicContact CB-CB 4.34Å; K624-M661 HydrophobicContact CB-CG 4.01Å; K624-M661 HydrophobicContact CB-SD 3.75Å; K624-M661 HydrophobicContact CD-CB 3.97Å; K624-M661 HydrophobicContact CD-CG 4.18Å; K624-M661 WeakPolarHBondContact CD-O 3.43Å; K624-M661 WeakPolarHBondContact CE-O 3.46Å; K624-M661 PolarHBondContact NZ-O 3.48Å
625V94.1Very high85.5Confident6 Ų660.8 Ų60.84%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-133143.9-179.368.40000110.6S568 V570 E600 L604 I607 L627S568-V625 CarbonylContact O-C 3.55Å; S568-V625 VanDerWaalsContact O-CA 3.28Å; S568-V625 WeakPolarHBondContact O-CA 3.31Å; V570-V625 HydrophobicContact CB-CG2 3.89Å; V570-V625 HydrophobicContact CG2-CG2 3.48Å; V570-V625 VanDerWaalsContact CG2-CG2 3.48Å; E600-V625 HydrophobicContact CB-CG1 4.1Å; E600-V625 WeakPolarHBondContact O-CG1 3.5Å; L604-V625 HydrophobicContact CB-CG1 3.97Å; I607-V625 HydrophobicContact CD1-CG2 4.27Å; V625-L627 HydrophobicContact CG2-CD2 4.29Å
626R94.3Very high85.3Confident32 Ų3255.2 Ų55.212%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-116.6125.3168.2177.463.8177.4128.76.8109.4S568 F569 V570 N595 E600 Y654 D657 M661S568-R626 PolarHBondContact O-N 3.04Å; F569-R626 WeakPolarHBondContact CA-O 3.44Å; F569-R626 HydrophobicContact CD1-CB 3.98Å; F569-R626 HydrophobicContact CD1-CG 4.45Å; V570-R626 PolarHBondContact N-O 3.15Å; N595-R626 VanDerWaalsContact OD1-CZ 3.26Å; N595-R626 PolarHBondContact OD1-NH1 2.79Å; N595-R626 PolarHBondContact OD1-NH2 3.09Å; E600-R626 WeakPolarHBondContact OE1-CD 3.42Å; E600-R626 IonicContact OE1-NH1 3.71Å; E600-R626 PolarHBondContact OE1-NH1 3.26Å; R626-Y654 HydrophobicContact CG-CD1 4.43Å; R626-D657 WeakPolarHBondContact CD-OD1 3.44Å; R626-D657 HydrophobicContact CG-CB 4.17Å; R626-D657 IonicContact CZ-OD1 3.51Å; R626-D657 IonicContact NE-OD1 3.19Å; R626-D657 PolarHBondContact NE-OD1 3Å; R626-D657 IonicContact NE-OD2 2.68Å; R626-D657 PolarHBondContact NE-OD2 3.21Å; R626-M661 HydrophobicContact CB-CE 3.98Å; R626-M661 HydrophobicContact CB-SD 4.45Å
627L93.1Very high85Confident0 Ų055.5 Ų55.50%028%0.279CS..EExtended strand (participates in β ladder)trans-87.4130.9175.8-53.7178.8000110.4V570 L577 C594 M599 E600 V603 V625V570-L627 HydrophobicContact CB-CD2 4.05Å; V570-L627 HydrophobicContact CG1-CD2 4.01Å; V570-L627 CarbonylContact O-C 3.59Å; V570-L627 WeakPolarHBondContact O-CA 3.49Å; L577-L627 HydrophobicContact CD2-CD1 4.17Å; C594-L627 HydrophobicContact CB-CB 4.13Å; C594-L627 WeakPolarHBondContact O-CB 3.36Å; M599-L627 HydrophobicContact CB-CD1 4.05Å; E600-L627 HydrophobicContact CG-CD1 4.36Å; E600-L627 HydrophobicContact CG-CG 4.04Å; V603-L627 HydrophobicContact CB-CD2 4.05Å; V603-L627 HydrophobicContact CG1-CD2 3.88Å; V603-L627 HydrophobicContact CG2-CD1 4.1Å; V603-L627 HydrophobicContact CG2-CD2 3.94Å; V625-L627 HydrophobicContact CG2-CD2 4.29Å
628S91.4Very high85Confident5 Ų550.8 Ų50.84%0.03526%0.257CS..  trans-100.5123.2176.4-168.90000110.7V570 P572 E630 Y654V570-S628 PolarHBondContact O-N 3.16Å; P572-S628 WeakPolarHBondContact CD-O 3.46Å; S628-E630 VanDerWaalsContact C-N 3.27Å; S628-E630 PolarHBondContact O-N 3.01Å; S628-E630 PolarHBondContact OG-O 3.09Å; S628-Y654 WeakPolarHBondContact CB-OH 3.48Å; S628-Y654 PolarHBondContact OG-OH 3.19Å
629P86.9Confident84.7Confident34 Ų3439.7 Ų39.722%0.22122%0.215CC..SBendtrans-72.6-22.8175.628.7-33.1000112.5W590 E591 C594W590-P629 PolarHBondContact NE1-O 3.43Å; E591-P629 HydrophobicContact CG-CB 4.04Å; E591-P629 HydrophobicContact CG-CG 4.31Å; C594-P629 HydrophobicContact CB-CB 4.06Å
630E86.1Confident84.1Confident109 Ų10938.2 Ų38.251%0.50921%0.21SC..SBendtrans-92.7130.5-179-63.8-171.616600111.3S628S628-E630 VanDerWaalsContact C-N 3.27Å; S628-E630 PolarHBondContact O-N 3.01Å; S628-E630 PolarHBondContact OG-O 3.09Å
631P85.4Confident82.9Confident82 Ų8238.5 Ų38.553%0.53221%0.212SC..PPolyproline II helixtrans-69.1137.9174.429-33.4000110.7V571 T633V571-P631 HydrophobicContact CG1-CB 4.5Å; P631-T633 PolarHBondContact O-N 3.42Å
632W87.6Confident81.4Confident10 Ų1037.8 Ų37.84%0.03821%0.209CC..PPolyproline II helixtrans-76.2121.7173.1-56.1-17.5000109.9N554 C556 F569 V571 L638 V639 L645 L650 Y654N554-W632 HydrophobicContact CB-CD2 4.42Å; N554-W632 HydrophobicContact CB-CE3 3.68Å; N554-W632 HydrophobicContact CB-CZ3 3.96Å; C556-W632 HydrophobicContact CB-CH2 3.49Å; C556-W632 VanDerWaalsContact CB-CH2 3.49Å; C556-W632 HydrophobicContact CB-CZ2 4.49Å; C556-W632 HydrophobicContact CB-CZ3 3.78Å; F569-W632 HydrophobicContact CB-CH2 4.07Å; F569-W632 HydrophobicContact CB-CZ2 3.87Å; F569-W632 WeakPolarHBondContact O-CH2 3.4Å; V571-W632 HydrophobicContact CG2-CB 4.38Å; V571-W632 HydrophobicContact CG2-CD2 3.4Å; V571-W632 VanDerWaalsContact CG2-CD2 3.4Å; V571-W632 HydrophobicContact CG2-CE3 4.04Å; V571-W632 HydrophobicContact CG2-CG 3.55Å; V571-W632 HydrophobicContact CG2-CH2 4.41Å; V571-W632 HydrophobicContact CG2-CZ2 3.87Å; V571-W632 HydrophobicContact CG2-CZ3 4.5Å; W632-L638 HydrophobicContact CB-CB 4.28Å; W632-L638 VanDerWaalsContact CD1-CD1 3.45Å; W632-L638 HydrophobicContact CG-CB 4.28Å; W632-L638 HydrophobicContact CG-CD1 4.15Å; W632-V639 HydrophobicContact CB-CG1 4.07Å; W632-L645 HydrophobicContact CE3-CD2 3.66Å; W632-L645 HydrophobicContact CZ3-CD2 3.63Å; W632-L650 HydrophobicContact CD2-CD2 4.06Å; W632-L650 HydrophobicContact CE3-CD2 4.42Å; W632-L650 HydrophobicContact CH2-CD2 4.28Å; W632-L650 HydrophobicContact CZ2-CD2 3.89Å; W632-Y654 AromaticContact CZ2-CE2 3.98Å; W632-Y654 HydrophobicContact CZ2-CE2 3.98Å; W632-Y654 PolarHBondContact NE1-OH 3.3Å
633T79.4Confident80.2Confident38 Ų3839.5 Ų39.523%0.23322%0.216CC..  trans-135.6161.5-179.361.90000109.5P631 E635 T636 G637 V639P631-T633 PolarHBondContact O-N 3.42Å; T633-E635 PolarHBondContact O-N 2.79Å; T633-T636 PolarHBondContact N-OG1 2.94Å; T633-T636 VanDerWaalsContact N-OG1 3.07Å; T633-T636 PolarHBondContact O-N 3.02Å; T633-T636 VanDerWaalsContact O-N 3.16Å; T633-T636 PolarHBondContact O-OG1 2.63Å; T633-T636 WeakPolarHBondContact OG1-CG2 3.42Å; T633-T636 PolarHBondContact OG1-N 3.5Å; T633-G637 PolarHBondContact O-N 2.79Å; T633-V639 WeakPolarHBondContact O-CG2 3.49Å
634P71.3Confident79.3Confident23 Ų2338.7 Ų38.715%0.14921%0.206CC..THydrogen-bonded Turntrans-56.9-33.8173.2-26.835.7000112.7T138 G637 V639 D641 F643T138-P634 HydrophobicContact CG2-CB 3.95Å; P634-G637 PolarHBondContact O-N 3.44Å; P634-G637 VanDerWaalsContact O-N 3.07Å; P634-V639 HydrophobicContact CG-CG2 4.18Å; P634-D641 WeakPolarHBondContact CB-OD1 3.2Å; P634-F643 HydrophobicContact CG-CE1 4.19Å; P634-F643 HydrophobicContact CG-CE2 4.4Å; P634-F643 HydrophobicContact CG-CZ 4.1Å
635E67.8Low78.8Confident159 Ų15936.4 Ų36.474%0.74320%0.198SC*.THydrogen-bonded Turntrans-64.7-36.5177-64.4168.3-161.100112.7T633 G637T633-E635 PolarHBondContact O-N 2.79Å; E635-G637 PolarHBondContact O-N 2.71Å
636T75.8Confident78Confident62 Ų6239.3 Ų39.338%0.3821%0.21SC..THydrogen-bonded Turntrans-75.5-6.9174.561.20000112.9T633 L638T633-T636 PolarHBondContact N-OG1 2.94Å; T633-T636 VanDerWaalsContact N-OG1 3.07Å; T633-T636 PolarHBondContact O-N 3.02Å; T633-T636 VanDerWaalsContact O-N 3.16Å; T633-T636 PolarHBondContact O-OG1 2.63Å; T633-T636 WeakPolarHBondContact OG1-CG2 3.42Å; T633-T636 PolarHBondContact OG1-N 3.5Å; T636-L638 PolarHBondContact O-N 2.68Å
637G73.9Confident77.4Confident25 Ų2540.1 Ų40.126%0.25821%0.213SC..THydrogen-bonded Turntrans72.83.4179.800000114.7T633 P634 E635 K646T633-G637 PolarHBondContact O-N 2.79Å; P634-G637 PolarHBondContact O-N 3.44Å; P634-G637 VanDerWaalsContact O-N 3.07Å; E635-G637 PolarHBondContact O-N 2.71Å; G637-K646 VanDerWaalsContact O-CD 3.27Å; G637-K646 WeakPolarHBondContact O-CD 3.24Å
638L80.2Confident76.8Confident11 Ų1145.7 Ų45.76%0.05824%0.237CC..SBendtrans-85.6-19.4-178.1-63.1178.8000113.5W632 T636 K646 L650 H653W632-L638 HydrophobicContact CB-CB 4.28Å; W632-L638 VanDerWaalsContact CD1-CD1 3.45Å; W632-L638 HydrophobicContact CG-CB 4.28Å; W632-L638 HydrophobicContact CG-CD1 4.15Å; T636-L638 PolarHBondContact O-N 2.68Å; L638-K646 PolarHBondContact O-N 2.78Å; L638-L650 HydrophobicContact CB-CD2 4.07Å; L638-L650 HydrophobicContact CB-CG 4.42Å; L638-L650 HydrophobicContact CD1-CD2 4.31Å; L638-L650 HydrophobicContact CD2-CD2 4.1Å; L638-L650 HydrophobicContact CD2-CG 4.39Å; L638-L650 HydrophobicContact CG-CD2 4.39Å; L638-H653 HydrophobicContact CD2-CB 3.99Å
639V77.3Confident76.2Confident0 Ų049.4 Ų49.40%025%0.254CS..BIsolated β-bridgetrans-125.1162.1171.3-64.50000110.8W632 T633 P634 F643 K644 L645 K646W632-V639 HydrophobicContact CB-CG1 4.07Å; T633-V639 WeakPolarHBondContact O-CG2 3.49Å; P634-V639 HydrophobicContact CG-CG2 4.18Å; V639-F643 HydrophobicContact CG2-CD1 4.43Å; V639-K644 CarbonylContact C-O 3.16Å; V639-K644 WeakPolarHBondContact CA-O 3.48Å; V639-K644 WeakPolarHBondContact CB-O 3.37Å; V639-L645 HydrophobicContact CG1-CD2 4.02Å; V639-K646 WeakPolarHBondContact O-CE 3.38Å; V639-K646 PolarHBondContact O-NZ 3.08Å
640T69.4Low76.2Confident20 Ų2047.8 Ų47.812%0.12324%0.244CC..  trans-79.1173.8168.471.80000110.6A642 F643 K644 K646T640-A642 VanDerWaalsContact C-N 3.28Å; T640-A642 PolarHBondContact O-N 2.88Å; T640-F643 WeakPolarHBondContact O-CA 3.35Å; T640-F643 PolarHBondContact O-N 2.9Å; T640-K644 HydrophobicContact CG2-CB 4.18Å; T640-K644 PolarHBondContact N-O 2.78Å; T640-K644 VanDerWaalsContact OG1-CB 3.3Å; T640-K644 WeakPolarHBondContact OG1-CB 3.24Å; T640-K644 PolarHBondContact OG1-N 3.37Å; T640-K646 HydrophobicContact CG2-CD 4.43Å; T640-K646 HydrophobicContact CG2-CG 3.85Å
641D60.3Low76.2Confident15 Ų1546.7 Ų46.78%0.0824%0.237CC..THydrogen-bonded Turntrans-70.3-27.6178.5-69.8-4.2000114.4Y136 T138 P275 P634 F643Y136-D641 VanDerWaalsContact CB-OD2 3.29Å; Y136-D641 WeakPolarHBondContact CB-OD2 3.25Å; Y136-D641 HydrophobicContact CD1-CB 3.56Å; Y136-D641 WeakPolarHBondContact CD1-OD2 3.46Å; Y136-D641 HydrophobicContact CE1-CB 3.93Å; T138-D641 WeakPolarHBondContact CB-OD1 3.33Å; T138-D641 WeakPolarHBondContact CB-OD2 3.5Å; T138-D641 WeakPolarHBondContact CG2-OD1 3.43Å; T138-D641 VanDerWaalsContact CG2-OD2 3.25Å; T138-D641 WeakPolarHBondContact CG2-OD2 3.3Å; T138-D641 PolarHBondContact N-OD2 2.63Å; T138-D641 PolarHBondContact OG1-OD1 3.43Å; T138-D641 PolarHBondContact OG1-OD2 3.19Å; P275-D641 HydrophobicContact CG-CB 3.79Å; P634-D641 WeakPolarHBondContact CB-OD1 3.2Å; D641-F643 VanDerWaalsContact O-CD2 3.32Å; D641-F643 WeakPolarHBondContact O-CD2 3.49Å; D641-F643 PolarHBondContact O-N 3.13Å
642A58.3Low76.2Confident7 Ų747 Ų476%0.05823%0.234CC..THydrogen-bonded Turntrans-76.913.8166.400000111.9V329 T640 K644V329-A642 HydrophobicContact CG1-CB 4.47Å; T640-A642 VanDerWaalsContact C-N 3.28Å; T640-A642 PolarHBondContact O-N 2.88Å; A642-K644 VanDerWaalsContact C-N 3.26Å; A642-K644 HydrophobicContact CB-CG 4.2Å; A642-K644 PolarHBondContact O-N 3.08Å
643F67Low76.2Confident36 Ų3651.2 Ų51.216%0.15825%0.254CS..  trans58.133179.5-72.8-92.1000113.8P300 E331 P634 V639 T640 D641P300-F643 HydrophobicContact CG-CE2 4.48Å; E331-F643 HydrophobicContact CB-CB 4.07Å; E331-F643 VanDerWaalsContact CD-CD1 3.48Å; E331-F643 HydrophobicContact CG-CB 4.34Å; E331-F643 WeakPolarHBondContact OE1-CD1 3.38Å; E331-F643 WeakPolarHBondContact OE2-CB 3.29Å; P634-F643 HydrophobicContact CG-CE1 4.19Å; P634-F643 HydrophobicContact CG-CE2 4.4Å; P634-F643 HydrophobicContact CG-CZ 4.1Å; V639-F643 HydrophobicContact CG2-CD1 4.43Å; T640-F643 WeakPolarHBondContact O-CA 3.35Å; T640-F643 PolarHBondContact O-N 2.9Å; D641-F643 VanDerWaalsContact O-CD2 3.32Å; D641-F643 WeakPolarHBondContact O-CD2 3.49Å; D641-F643 PolarHBondContact O-N 3.13Å
644K72.8Confident76.8Confident58 Ų5849.8 Ų49.825%0.25224%0.244SC..  trans-91143.1175.1-49.1-176-162.9-176.30110.3G398 V639 T640 A642 K646G398-K644 WeakPolarHBondContact O-CD 3.29Å; G398-K644 WeakPolarHBondContact O-CE 3.24Å; G398-K644 PolarHBondContact O-NZ 3.31Å; V639-K644 CarbonylContact C-O 3.16Å; V639-K644 WeakPolarHBondContact CA-O 3.48Å; V639-K644 WeakPolarHBondContact CB-O 3.37Å; T640-K644 HydrophobicContact CG2-CB 4.18Å; T640-K644 PolarHBondContact N-O 2.78Å; T640-K644 VanDerWaalsContact OG1-CB 3.3Å; T640-K644 WeakPolarHBondContact OG1-CB 3.24Å; T640-K644 PolarHBondContact OG1-N 3.37Å; A642-K644 VanDerWaalsContact C-N 3.26Å; A642-K644 HydrophobicContact CB-CG 4.2Å; A642-K644 PolarHBondContact O-N 3.08Å; K644-K646 PolarHBondContact O-N 2.74Å
645L81.4Confident77.6Confident32 Ų3252.2 Ų52.217%0.16826%0.256CS..BIsolated β-bridgetrans-66.2129.9-179-58.5173.8000111.8E543 I555 C556 W632 V639 R647 L650E543-L645 HydrophobicContact CG-CD1 4.47Å; E543-L645 WeakPolarHBondContact OE2-CD1 3.42Å; I555-L645 VanDerWaalsContact O-CD1 3.28Å; I555-L645 WeakPolarHBondContact O-CD1 3.06Å; C556-L645 HydrophobicContact CB-CD1 4.09Å; W632-L645 HydrophobicContact CE3-CD2 3.66Å; W632-L645 HydrophobicContact CZ3-CD2 3.63Å; V639-L645 HydrophobicContact CG1-CD2 4.02Å; L645-R647 PolarHBondContact O-N 3.17Å; L645-L650 HydrophobicContact CB-CD1 3.98Å; L645-L650 HydrophobicContact CD2-CD1 4.09Å
646K77.8Confident78.6Confident67 Ų6750.6 Ų50.629%0.29125%0.252SS..  trans-91.481.9169.9-70177.4-179.5169.20109.4G637 L638 V639 T640 K644 K648 E649 L650G637-K646 VanDerWaalsContact O-CD 3.27Å; G637-K646 WeakPolarHBondContact O-CD 3.24Å; L638-K646 PolarHBondContact O-N 2.78Å; V639-K646 WeakPolarHBondContact O-CE 3.38Å; V639-K646 PolarHBondContact O-NZ 3.08Å; T640-K646 HydrophobicContact CG2-CD 4.43Å; T640-K646 HydrophobicContact CG2-CG 3.85Å; K644-K646 PolarHBondContact O-N 2.74Å; K646-K648 VanDerWaalsContact C-N 3.27Å; K646-K648 PolarHBondContact O-N 3.3Å; K646-K648 VanDerWaalsContact O-N 3.13Å; K646-E649 HydrophobicContact CB-CB 4.14Å; K646-E649 HydrophobicContact CB-CG 4.12Å; K646-E649 HydrophobicContact CD-CG 4.43Å; K646-E649 PolarHBondContact O-N 3.47Å; K646-L650 PolarHBondContact O-N 3.23Å
647R83Confident79.2Confident50 Ų5049 Ų4919%0.18924%0.242CC..Hα-helixtrans-50.6-40.4-173.1-64.4-173.6-177.3-68.1-8114.4D527 E543 V557 L645 L650 K651D527-R647 IonicContact OD1-NE 2.81Å; D527-R647 PolarHBondContact OD1-NE 3.46Å; D527-R647 IonicContact OD2-CZ 2.79Å; D527-R647 IonicContact OD2-NE 3.16Å; D527-R647 PolarHBondContact OD2-NE 3.39Å; D527-R647 IonicContact OD2-NH2 3.58Å; D527-R647 PolarHBondContact OD2-NH2 2.82Å; E543-R647 IonicContact OE1-CZ 3.08Å; E543-R647 IonicContact OE1-NH1 2.89Å; E543-R647 PolarHBondContact OE1-NH1 2.99Å; E543-R647 IonicContact OE1-NH2 3.95Å; E543-R647 PolarHBondContact OE1-NH2 3.48Å; E543-R647 IonicContact OE2-CZ 3.61Å; E543-R647 IonicContact OE2-NH1 3.48Å; E543-R647 IonicContact OE2-NH2 2.96Å; E543-R647 PolarHBondContact OE2-NH2 3.39Å; V557-R647 PolarHBondContact O-NH1 3.02Å; L645-R647 PolarHBondContact O-N 3.17Å; R647-L650 PolarHBondContact O-N 2.95Å; R647-K651 VanDerWaalsContact O-CB 3.31Å; R647-K651 WeakPolarHBondContact O-CB 3.37Å; R647-K651 PolarHBondContact O-N 3.49Å
648K79.2Confident80Confident117 Ų11748.4 Ų48.451%0.50923%0.232SC..Hα-helixtrans-64.2-45.7179.2-173.1-179.9176.8-174.90111.7K646 K651 N652K646-K648 VanDerWaalsContact C-N 3.27Å; K646-K648 PolarHBondContact O-N 3.3Å; K646-K648 VanDerWaalsContact O-N 3.13Å; K648-K651 PolarHBondContact O-N 2.77Å; K648-N652 PolarHBondContact O-N 3.2Å; K648-N652 PolarHBondContact O-ND2 2.79Å; K648-N652 PolarHBondContact O-OD1 3.27Å
649E80.1Confident80.3Confident83 Ų8351.7 Ų51.739%0.38825%0.247SC..Hα-helixtrans-68-41177.7-57.8-49.1136.500111.4K646 K651 N652 H653K646-E649 HydrophobicContact CB-CB 4.14Å; K646-E649 HydrophobicContact CB-CG 4.12Å; K646-E649 HydrophobicContact CD-CG 4.43Å; K646-E649 PolarHBondContact O-N 3.47Å; E649-K651 PolarHBondContact O-N 2.67Å; E649-N652 PolarHBondContact O-N 2.98Å; E649-H653 WeakPolarHBondContact O-CB 3.27Å; E649-H653 PolarHBondContact O-N 2.76Å
650L86.8Confident80.9Confident0 Ų057.4 Ų57.40%027%0.269CS..Hα-helixtrans-61.3-42.4173.5-76.8160.8000112.1C556 W632 L638 L645 K646 R647 N652 H653 Y654C556-L650 HydrophobicContact CB-CD1 3.99Å; W632-L650 HydrophobicContact CD2-CD2 4.06Å; W632-L650 HydrophobicContact CE3-CD2 4.42Å; W632-L650 HydrophobicContact CH2-CD2 4.28Å; W632-L650 HydrophobicContact CZ2-CD2 3.89Å; L638-L650 HydrophobicContact CB-CD2 4.07Å; L638-L650 HydrophobicContact CB-CG 4.42Å; L638-L650 HydrophobicContact CD1-CD2 4.31Å; L638-L650 HydrophobicContact CD2-CD2 4.1Å; L638-L650 HydrophobicContact CD2-CG 4.39Å; L638-L650 HydrophobicContact CG-CD2 4.39Å; L645-L650 HydrophobicContact CB-CD1 3.98Å; L645-L650 HydrophobicContact CD2-CD1 4.09Å; K646-L650 PolarHBondContact O-N 3.23Å; R647-L650 PolarHBondContact O-N 2.95Å; L650-N652 VanDerWaalsContact C-N 3.34Å; L650-N652 PolarHBondContact O-N 2.84Å; L650-H653 PolarHBondContact O-N 2.86Å; L650-Y654 HydrophobicContact CD2-CD2 4.29Å; L650-Y654 HydrophobicContact CD2-CE2 3.74Å; L650-Y654 VanDerWaalsContact O-CD2 3.26Å; L650-Y654 WeakPolarHBondContact O-CD2 3.48Å; L650-Y654 PolarHBondContact O-N 3.02Å
651K85.8Confident81.8Confident85 Ų8556.7 Ų56.737%0.3726%0.264SS..Hα-helixtrans-59.5-45.2174.6-179.8-171.3178.5175.40111.3Y558 R647 K648 E649 L655 I658Y558-K651 HydrophobicContact CE2-CB 4.35Å; Y558-K651 HydrophobicContact CE2-CD 3.88Å; Y558-K651 HydrophobicContact CE2-CG 3.84Å; Y558-K651 WeakPolarHBondContact OH-CE 3.29Å; R647-K651 VanDerWaalsContact O-CB 3.31Å; R647-K651 WeakPolarHBondContact O-CB 3.37Å; R647-K651 PolarHBondContact O-N 3.49Å; K648-K651 PolarHBondContact O-N 2.77Å; E649-K651 PolarHBondContact O-N 2.67Å; K651-L655 WeakPolarHBondContact O-CA 3.3Å; K651-L655 PolarHBondContact O-N 3.37Å; K651-L655 VanDerWaalsContact O-N 3.12Å; K651-I658 HydrophobicContact CB-CD1 4.47Å; K651-I658 HydrophobicContact CG-CD1 3.88Å
652N85.2Confident83Confident89 Ų8957 Ų5748%0.47627%0.265SS..Hα-helixtrans-65.6-42.9179-67-17.5000111.2K648 E649 L650 Y654 L655K648-N652 PolarHBondContact O-N 3.2Å; K648-N652 PolarHBondContact O-ND2 2.79Å; K648-N652 PolarHBondContact O-OD1 3.27Å; E649-N652 PolarHBondContact O-N 2.98Å; L650-N652 VanDerWaalsContact C-N 3.34Å; L650-N652 PolarHBondContact O-N 2.84Å; N652-Y654 PolarHBondContact O-N 3.37Å; N652-L655 PolarHBondContact O-N 2.96Å
653H87.9Confident83.6Confident98 Ų9859.4 Ų59.445%0.45429%0.289SS..Hα-helixtrans-63.3-39.9179.2-175.986000112.5L638 E649 L650L638-H653 HydrophobicContact CD2-CB 3.99Å; E649-H653 WeakPolarHBondContact O-CB 3.27Å; E649-H653 PolarHBondContact O-N 2.76Å; L650-H653 PolarHBondContact O-N 2.86Å
654Y90.8Very high83Confident8 Ų865.2 Ų65.23%0.03131%0.31CS..THydrogen-bonded Turntrans-101.222-179.1-63.8-68.7000114.2F569 R626 S628 W632 L650 N652 N656 D657 I658F569-Y654 HydrophobicContact CB-CD2 4.03Å; F569-Y654 HydrophobicContact CB-CE2 3.85Å; F569-Y654 AromaticContact CD1-CD1 3.89Å; F569-Y654 HydrophobicContact CD1-CD1 3.89Å; F569-Y654 AromaticContact CD1-CD2 3.65Å; F569-Y654 HydrophobicContact CD1-CD2 3.65Å; F569-Y654 HydrophobicContact CD1-CE1 4.48Å; F569-Y654 HydrophobicContact CD1-CE2 4.26Å; F569-Y654 AromaticContact CD1-CG 3.46Å; F569-Y654 HydrophobicContact CD1-CG 3.46Å; F569-Y654 VanDerWaalsContact CD1-CG 3.46Å; F569-Y654 AromaticContact CD2-CD2 3.84Å; F569-Y654 HydrophobicContact CD2-CD2 3.84Å; F569-Y654 HydrophobicContact CD2-CE2 4.39Å; F569-Y654 HydrophobicContact CD2-CG 4.41Å; F569-Y654 HydrophobicContact CE1-CD1 4.36Å; F569-Y654 HydrophobicContact CE1-CD2 4.11Å; F569-Y654 AromaticContact CE1-CG 3.7Å; F569-Y654 HydrophobicContact CE1-CG 3.7Å; F569-Y654 HydrophobicContact CE2-CD2 4.24Å; F569-Y654 HydrophobicContact CG-CD1 4.48Å; F569-Y654 AromaticContact CG-CD2 3.53Å; F569-Y654 HydrophobicContact CG-CD2 3.53Å; F569-Y654 AromaticContact CG-CE2 3.9Å; F569-Y654 HydrophobicContact CG-CE2 3.9Å; F569-Y654 AromaticContact CG-CG 3.88Å; F569-Y654 HydrophobicContact CG-CG 3.88Å; F569-Y654 HydrophobicContact CZ-CD2 4.38Å; F569-Y654 HydrophobicContact CZ-CG 4.26Å; R626-Y654 HydrophobicContact CG-CD1 4.43Å; S628-Y654 WeakPolarHBondContact CB-OH 3.48Å; S628-Y654 PolarHBondContact OG-OH 3.19Å; W632-Y654 AromaticContact CZ2-CE2 3.98Å; W632-Y654 HydrophobicContact CZ2-CE2 3.98Å; W632-Y654 PolarHBondContact NE1-OH 3.3Å; L650-Y654 HydrophobicContact CD2-CD2 4.29Å; L650-Y654 HydrophobicContact CD2-CE2 3.74Å; L650-Y654 VanDerWaalsContact O-CD2 3.26Å; L650-Y654 WeakPolarHBondContact O-CD2 3.48Å; L650-Y654 PolarHBondContact O-N 3.02Å; N652-Y654 PolarHBondContact O-N 3.37Å; Y654-N656 VanDerWaalsContact C-N 3.35Å; Y654-N656 PolarHBondContact O-N 3.02Å; Y654-D657 WeakPolarHBondContact O-CB 3.36Å; Y654-D657 PolarHBondContact O-N 3.35Å; Y654-I658 WeakPolarHBondContact O-CG1 3.25Å; Y654-I658 PolarHBondContact O-N 2.8Å
655L88.8Confident81.4Confident74 Ų7475.6 Ų75.639%0.38736%0.356SS..Hα-helixtrans-55.8-46.9-173.3-172.567.2000112.8K651 N652 D657 I658 E659K651-L655 WeakPolarHBondContact O-CA 3.3Å; K651-L655 PolarHBondContact O-N 3.37Å; K651-L655 VanDerWaalsContact O-N 3.12Å; N652-L655 PolarHBondContact O-N 2.96Å; L655-D657 VanDerWaalsContact C-N 3.31Å; L655-D657 PolarHBondContact O-N 3.48Å; L655-I658 WeakPolarHBondContact O-CB 3.3Å; L655-I658 PolarHBondContact O-N 3.2Å; L655-E659 PolarHBondContact O-N 3.34Å; L655-E659 VanDerWaalsContact O-N 3.08Å
656N88.4Confident81.3Confident126 Ų12677.8 Ų77.867%0.67437%0.365SS*.Hα-helixtrans-63.3-37.4178.6-62.4-17000112Y654 E659 R660Y654-N656 VanDerWaalsContact C-N 3.35Å; Y654-N656 PolarHBondContact O-N 3.02Å; N656-E659 PolarHBondContact O-N 3.35Å; N656-R660 WeakPolarHBondContact O-CB 3.45Å; N656-R660 PolarHBondContact O-N 3.1Å
657D89.2Confident81.5Confident28 Ų2878.4 Ų78.415%0.1537%0.369CS..Hα-helixtrans-70.7-34.7177.4-72-58.7000111.7R626 Y654 L655 R660 M661R626-D657 WeakPolarHBondContact CD-OD1 3.44Å; R626-D657 HydrophobicContact CG-CB 4.17Å; R626-D657 IonicContact CZ-OD1 3.51Å; R626-D657 IonicContact NE-OD1 3.19Å; R626-D657 PolarHBondContact NE-OD1 3Å; R626-D657 IonicContact NE-OD2 2.68Å; R626-D657 PolarHBondContact NE-OD2 3.21Å; Y654-D657 WeakPolarHBondContact O-CB 3.36Å; Y654-D657 PolarHBondContact O-N 3.35Å; L655-D657 VanDerWaalsContact C-N 3.31Å; L655-D657 PolarHBondContact O-N 3.48Å; D657-R660 IonicContact OD1-CZ 3.65Å; D657-R660 IonicContact OD1-NE 3.16Å; D657-R660 IonicContact OD1-NH1 3.72Å; D657-R660 IonicContact OD1-NH2 2.64Å; D657-M661 HydrophobicContact CB-CE 4.16Å; D657-M661 WeakPolarHBondContact O-CB 3.37Å; D657-M661 WeakPolarHBondContact O-CE 3.47Å; D657-M661 VanDerWaalsContact O-CG 3.28Å; D657-M661 WeakPolarHBondContact O-CG 3.44Å; D657-M661 PolarHBondContact O-N 2.86Å
658I89.4Confident81.5Confident12 Ų1279.9 Ų79.96%0.06238%0.379CS..Hα-helixtrans-61.7-48.4173.8-69.3167.8000110.2Y558 I567 F569 K651 Y654 L655 M661 Y662Y558-I658 HydrophobicContact CD1-CD1 4.42Å; Y558-I658 HydrophobicContact CD1-CG1 4.48Å; Y558-I658 HydrophobicContact CD1-CG2 4.39Å; Y558-I658 HydrophobicContact CD2-CD1 4.38Å; Y558-I658 HydrophobicContact CE1-CD1 4.27Å; Y558-I658 HydrophobicContact CE1-CG2 3.83Å; Y558-I658 HydrophobicContact CE2-CD1 4.25Å; Y558-I658 HydrophobicContact CG-CD1 4.46Å; I567-I658 HydrophobicContact CD1-CB 4.48Å; I567-I658 HydrophobicContact CD1-CG1 4.13Å; I567-I658 HydrophobicContact CD1-CG2 4.42Å; F569-I658 HydrophobicContact CE1-CG1 4.02Å; F569-I658 HydrophobicContact CZ-CD1 3.83Å; F569-I658 HydrophobicContact CZ-CG1 3.46Å; F569-I658 VanDerWaalsContact CZ-CG1 3.46Å; K651-I658 HydrophobicContact CB-CD1 4.47Å; K651-I658 HydrophobicContact CG-CD1 3.88Å; Y654-I658 WeakPolarHBondContact O-CG1 3.25Å; Y654-I658 PolarHBondContact O-N 2.8Å; L655-I658 WeakPolarHBondContact O-CB 3.3Å; L655-I658 PolarHBondContact O-N 3.2Å; I658-M661 PolarHBondContact O-N 2.74Å; I658-Y662 HydrophobicContact CG2-CD2 3.84Å; I658-Y662 HydrophobicContact CG2-CE2 4.27Å; I658-Y662 PolarHBondContact O-N 3.12Å
659E87.7Confident81.6Confident80 Ų8077.8 Ų77.837%0.37437%0.371SS..Hα-helixtrans-61.3-46.1179-69.8-179163.600111.1L655 N656 M661 Y662 G663 R664L655-E659 PolarHBondContact O-N 3.34Å; L655-E659 VanDerWaalsContact O-N 3.08Å; N656-E659 PolarHBondContact O-N 3.35Å; E659-M661 VanDerWaalsContact C-N 3.34Å; E659-M661 PolarHBondContact O-N 2.92Å; E659-Y662 PolarHBondContact O-N 3.33Å; E659-G663 PolarHBondContact O-N 3.28Å; E659-R664 HydrophobicContact CB-CB 4.36Å; E659-R664 PolarHBondContact O-N 3.44Å
660R88.9Confident81.7Confident120 Ų12077.4 Ų77.445%0.45337%0.37SS..Hα-helixtrans-56.4-44.7173-175.3-174.376.2160.712112.4E600 N656 D657E600-R660 IonicContact OE1-NH2 3.29Å; E600-R660 PolarHBondContact OE1-NH2 3.34Å; E600-R660 IonicContact OE2-NH2 3.36Å; N656-R660 WeakPolarHBondContact O-CB 3.45Å; N656-R660 PolarHBondContact O-N 3.1Å; D657-R660 IonicContact OD1-CZ 3.65Å; D657-R660 IonicContact OD1-NE 3.16Å; D657-R660 IonicContact OD1-NH1 3.72Å; D657-R660 IonicContact OD1-NH2 2.64Å
661M88.1Confident81.3Confident6 Ų682.6 Ų82.63%0.0340%0.395CS..Hα-helixtrans-74.1-36.6-177.4-76.2-171.3-79.900112.8Y565 I567 F569 K624 R626 D657 I658 E659Y565-M661 PolarHBondContact OH-O 2.97Å; I567-M661 HydrophobicContact CB-CE 4.46Å; I567-M661 HydrophobicContact CB-SD 4.07Å; I567-M661 HydrophobicContact CD1-CB 4.12Å; I567-M661 HydrophobicContact CD1-CE 3.65Å; I567-M661 HydrophobicContact CD1-SD 4.22Å; I567-M661 HydrophobicContact CG1-CE 4.49Å; I567-M661 HydrophobicContact CG2-CB 4.15Å; I567-M661 HydrophobicContact CG2-SD 4.37Å; F569-M661 HydrophobicContact CD1-CE 4.09Å; F569-M661 HydrophobicContact CE1-CE 3.48Å; F569-M661 VanDerWaalsContact CE1-CE 3.48Å; F569-M661 HydrophobicContact CZ-CE 4.32Å; K624-M661 HydrophobicContact CB-CB 4.34Å; K624-M661 HydrophobicContact CB-CG 4.01Å; K624-M661 HydrophobicContact CB-SD 3.75Å; K624-M661 HydrophobicContact CD-CB 3.97Å; K624-M661 HydrophobicContact CD-CG 4.18Å; K624-M661 WeakPolarHBondContact CD-O 3.43Å; K624-M661 WeakPolarHBondContact CE-O 3.46Å; K624-M661 PolarHBondContact NZ-O 3.48Å; R626-M661 HydrophobicContact CB-CE 3.98Å; R626-M661 HydrophobicContact CB-SD 4.45Å; D657-M661 HydrophobicContact CB-CE 4.16Å; D657-M661 WeakPolarHBondContact O-CB 3.37Å; D657-M661 WeakPolarHBondContact O-CE 3.47Å; D657-M661 VanDerWaalsContact O-CG 3.28Å; D657-M661 WeakPolarHBondContact O-CG 3.44Å; D657-M661 PolarHBondContact O-N 2.86Å; I658-M661 PolarHBondContact O-N 2.74Å; E659-M661 VanDerWaalsContact C-N 3.34Å; E659-M661 PolarHBondContact O-N 2.92Å
662Y86.3Confident81Confident22 Ų2282.4 Ų82.49%0.08640%0.397CS..Hα-helixtrans-85.6-8.7175.9-76.5-59.9000114.3Y558 N560 Q563 Y565 I567 I658 E659Y558-Y662 AromaticContact CD1-CE2 3.8Å; Y558-Y662 HydrophobicContact CD1-CE2 3.8Å; Y558-Y662 AromaticContact CE1-CE2 3.76Å; Y558-Y662 HydrophobicContact CE1-CE2 3.76Å; Y558-Y662 PolarHBondContact O-OH 3.14Å; N560-Y662 HydrophobicContact CB-CE2 4.15Å; Q563-Y662 HydrophobicContact CB-CD1 3.91Å; Q563-Y662 HydrophobicContact CB-CE1 3.54Å; Q563-Y662 HydrophobicContact CG-CD1 3.4Å; Q563-Y662 HydrophobicContact CG-CE1 3.52Å; Q563-Y662 HydrophobicContact CG-CG 3.98Å; Y565-Y662 AromaticContact CD2-CE1 3.97Å; Y565-Y662 HydrophobicContact CD2-CE1 3.97Å; Y565-Y662 HydrophobicContact CE1-CD1 4.27Å; Y565-Y662 HydrophobicContact CE1-CE1 4.36Å; Y565-Y662 AromaticContact CE2-CD1 3.76Å; Y565-Y662 HydrophobicContact CE2-CD1 3.76Å; Y565-Y662 AromaticContact CE2-CE1 3.58Å; Y565-Y662 HydrophobicContact CE2-CE1 3.58Å; Y565-Y662 AromaticContact CZ-CD1 3.59Å; Y565-Y662 AromaticContact CZ-CE1 3.81Å; Y565-Y662 WeakPolarHBondContact O-CE1 3.4Å; Y565-Y662 PolarHBondContact O-OH 2.99Å; Y565-Y662 WeakPolarHBondContact OH-CD1 3.16Å; I567-Y662 HydrophobicContact CD1-CD2 3.98Å; I567-Y662 HydrophobicContact CD1-CE2 3.49Å; I567-Y662 VanDerWaalsContact CD1-CE2 3.49Å; I567-Y662 HydrophobicContact CG1-CE2 3.8Å; I567-Y662 HydrophobicContact CG2-CE1 4.07Å; I567-Y662 HydrophobicContact CG2-CE2 4.29Å; I658-Y662 HydrophobicContact CG2-CD2 3.84Å; I658-Y662 HydrophobicContact CG2-CE2 4.27Å; I658-Y662 PolarHBondContact O-N 3.12Å; E659-Y662 PolarHBondContact O-N 3.33Å
663G70.9Confident80.7Confident56 Ų5681.9 Ų81.958%0.57739%0.391SS*.THydrogen-bonded Turntrans84.627.7173.300000114.4E659E659-G663 PolarHBondContact O-N 3.28Å
664R54.8Low80.1Confident158 Ų15880.6 Ų80.660%0.59639%0.385SS*.  trans-78.4122.1160.6-77.8-172.2-179.1174.23.9107.2E562 E659E562-R664 IonicContact OE2-NH2 3.53Å; E562-R664 PolarHBondContact OE2-NH2 2.79Å; E562-R664 VanDerWaalsContact OE2-NH2 3.08Å; E659-R664 HydrophobicContact CB-CB 4.36Å; E659-R664 PolarHBondContact O-N 3.44Å
665K38Very low79.1Confident277 Ų27787.2 Ų87.2100%1.20442%0.418SS*.  trans-64.50-177-85.9-176.8173.9179.50112.3

Retrieved 665 of 665 residues in 1087.2 ms (Link to these results)

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