A0A5K4F5B3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4F5B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 435 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
1M33.8Very low67.8Low241 Ų24186.6 Ų86.6100%1.18755%0.545SS*.  0110.30-61.6-178.9-151.900106.4G3M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.27Å
2I31.9Very low70.2Confident169 Ų16980.5 Ų80.587%0.86751%0.505SS*.  trans-68.9101164.7-60.9172000103.1T4I2-T4 VanDerWaalsContact C-N 3.33Å; I2-T4 PolarHBondContact O-N 3.24Å
3G37.2Very low72.2Confident65 Ų6580.3 Ų80.367%0.6750%0.502SS*.  trans-59.5104.3174.400000106M1 S5M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.27Å; G3-S5 PolarHBondContact O-N 3.16Å
4T49.3Very low73.9Confident123 Ų12376.6 Ų76.676%0.75548%0.479SS*.  trans-57.5109.217047.70000105.1I2 G6I2-T4 VanDerWaalsContact C-N 3.33Å; I2-T4 PolarHBondContact O-N 3.24Å; T4-G6 PolarHBondContact O-N 3.08Å; T4-G6 VanDerWaalsContact O-N 3.08Å
5S66.1Low75.2Confident106 Ų10675.1 Ų75.174%0.74146%0.464SS*.PPolyproline II helixtrans-50.4121.7170.448.70000106.6G3G3-S5 PolarHBondContact O-N 3.16Å
6G75.8Confident76.3Confident38 Ų3875.1 Ų75.139%0.39245%0.453SS..PPolyproline II helixtrans-57.3168176.800000111T4 C8T4-G6 PolarHBondContact O-N 3.08Å; T4-G6 VanDerWaalsContact O-N 3.08Å; G6-C8 PolarHBondContact O-N 3.24Å
7P84.1Confident77.1Confident15 Ų1571.4 Ų71.410%0.09743%0.429CS..PPolyproline II helixtrans-55.3131.4176.424.8-32.6000110.1Y82 S83 M84 I368P7-Y82 HydrophobicContact CB-CD1 3.83Å; P7-Y82 HydrophobicContact CB-CG 4.3Å; P7-Y82 HydrophobicContact CG-CD1 4.47Å; P7-S83 WeakPolarHBondContact CG-O 3.39Å; P7-M84 HydrophobicContact CB-CG 3.65Å; P7-M84 HydrophobicContact CB-SD 3.98Å; P7-M84 HydrophobicContact CG-CG 3.6Å; P7-M84 WeakPolarHBondContact O-CG 3.3Å; P7-I368 HydrophobicContact CG-CG1 4.28Å
8C89Confident77.7Confident41 Ų4168.9 Ų68.928%0.27741%0.413SS..  trans-116.9140.7-177.1-171.80000110.7G6 S10 D11 F12G6-C8 PolarHBondContact O-N 3.24Å; C8-S10 PolarHBondContact O-N 2.81Å; C8-S10 VanDerWaalsContact O-N 3.1Å; C8-S10 PolarHBondContact SG-OG 3.48Å; C8-D11 PolarHBondContact N-OD2 3.01Å; C8-D11 VanDerWaalsContact O-CB 3.22Å; C8-D11 WeakPolarHBondContact O-CB 3.45Å; C8-D11 PolarHBondContact O-N 3.43Å; C8-F12 WeakPolarHBondContact O-CD2 3.48Å
9P91.5Very high78Confident31 Ų3165.6 Ų65.620%0.20139%0.394CS..G310 helixtrans-51.7-31.3173.1-32.538.7000115D11 F12 M84 E86 F318P9-D11 PolarHBondContact O-N 2.83Å; P9-F12 PolarHBondContact O-N 2.76Å; P9-M84 HydrophobicContact CG-SD 4.42Å; P9-E86 VanDerWaalsContact CD-OE2 3.23Å; P9-E86 WeakPolarHBondContact CD-OE2 3.16Å; P9-F318 HydrophobicContact CB-CB 3.9Å; P9-F318 HydrophobicContact CB-CD1 3.71Å; P9-F318 HydrophobicContact CB-CD2 4.08Å; P9-F318 HydrophobicContact CB-CE1 4.17Å; P9-F318 HydrophobicContact CB-CG 3.65Å; P9-F318 HydrophobicContact CG-CB 4.22Å; P9-F318 HydrophobicContact CG-CD1 3.89Å; P9-F318 HydrophobicContact CG-CE1 4.49Å; P9-F318 HydrophobicContact CG-CG 4.18Å
10S92.9Very high78.4Confident91 Ų9167.3 Ų67.364%0.63639%0.393SS*.G310 helixtrans-69.8-14.6179.963.10000113.9C8 F12C8-S10 PolarHBondContact O-N 2.81Å; C8-S10 VanDerWaalsContact O-N 3.1Å; C8-S10 PolarHBondContact SG-OG 3.48Å; S10-F12 PolarHBondContact O-N 3.4Å
11D94.1Very high78.6Confident33 Ų3365.6 Ų65.618%0.17639%0.39CS..G310 helixtrans-74.7-1.3175.1-68.9-40.7000113.5C8 P9 K31 T32 T33C8-D11 PolarHBondContact N-OD2 3.01Å; C8-D11 VanDerWaalsContact O-CB 3.22Å; C8-D11 WeakPolarHBondContact O-CB 3.45Å; C8-D11 PolarHBondContact O-N 3.43Å; P9-D11 PolarHBondContact O-N 2.83Å; D11-K31 HydrophobicContact CB-CD 4.42Å; D11-T32 VanDerWaalsContact C-OG1 3.28Å; D11-T32 PolarHBondContact O-N 2.82Å; D11-T32 PolarHBondContact O-OG1 2.98Å; D11-T33 WeakPolarHBondContact CB-OG1 3.49Å; D11-T33 PolarHBondContact OD1-OG1 2.77Å
12F96.3Very high81Confident13 Ų1355.7 Ų55.76%0.05734%0.344CS..EExtended strand (participates in β ladder)trans-133143.3-172.7-58.4-86.7000112.4C8 P9 S10 I29 R30 K31 Y41 Y82 M84 V93 F318C8-F12 WeakPolarHBondContact O-CD2 3.48Å; P9-F12 PolarHBondContact O-N 2.76Å; S10-F12 PolarHBondContact O-N 3.4Å; F12-I29 HydrophobicContact CB-CB 4.41Å; F12-I29 HydrophobicContact CB-CD1 4.35Å; F12-I29 HydrophobicContact CD1-CD1 3.49Å; F12-I29 VanDerWaalsContact CD1-CD1 3.49Å; F12-I29 HydrophobicContact CD1-CG1 4.26Å; F12-I29 HydrophobicContact CE1-CD1 3.87Å; F12-I29 HydrophobicContact CG-CD1 3.96Å; F12-R30 CarbonylContact C-O 3.32Å; F12-R30 VanDerWaalsContact CA-O 3.3Å; F12-R30 WeakPolarHBondContact CA-O 3.47Å; F12-K31 HydrophobicContact CD1-CB 4.34Å; F12-K31 HydrophobicContact CD1-CD 3.78Å; F12-K31 HydrophobicContact CE1-CB 4.24Å; F12-K31 HydrophobicContact CE1-CD 3.21Å; F12-K31 HydrophobicContact CE1-CG 4.34Å; F12-K31 HydrophobicContact CE2-CD 4.24Å; F12-K31 HydrophobicContact CZ-CD 3.47Å; F12-K31 VanDerWaalsContact CZ-CD 3.47Å; F12-Y41 HydrophobicContact CE1-CD2 4.38Å; F12-Y82 AromaticContact CZ-CD2 3.95Å; F12-Y82 HydrophobicContact CZ-CD2 3.95Å; F12-Y82 HydrophobicContact CZ-CE2 4.21Å; F12-Y82 HydrophobicContact CZ-CG 4.38Å; F12-M84 HydrophobicContact CD2-CE 4.43Å; F12-M84 HydrophobicContact CE2-CE 3.96Å; F12-M84 HydrophobicContact CE2-SD 4.27Å; F12-V93 HydrophobicContact CE1-CG1 4.08Å; F12-V93 HydrophobicContact CE1-CG2 4.34Å; F12-V93 HydrophobicContact CE2-CG2 4.44Å; F12-V93 HydrophobicContact CZ-CG1 4.37Å; F12-V93 HydrophobicContact CZ-CG2 4.04Å; F12-F318 HydrophobicContact CB-CE2 4.3Å; F12-F318 HydrophobicContact CB-CZ 3.98Å; F12-F318 HydrophobicContact CD2-CZ 4.26Å; F12-F318 HydrophobicContact CG-CZ 4.35Å
13V96.7Very high83.8Confident78 Ų7849.8 Ų49.847%0.47331%0.311SS..EExtended strand (participates in β ladder)trans-106.1131.7166.8171.30000108.6I29 R30 T32V13-I29 CarbonylContact O-C 3.54Å; V13-I29 WeakPolarHBondContact O-CA 3.46Å; V13-R30 PolarHBondContact N-O 3.45Å; V13-R30 PolarHBondContact O-N 3.17Å; V13-T32 HydrophobicContact CB-CG2 4.36Å; V13-T32 HydrophobicContact CG2-CG2 3.59Å
14V96.1Very high86.4Confident29 Ų2947.1 Ų47.118%0.17628%0.283CS..EExtended strand (participates in β ladder)trans-86.4120.3177.2-166.80000109.1Y27 I29 L314 A317 F318V14-Y27 HydrophobicContact CG1-CD1 3.91Å; V14-Y27 HydrophobicContact CG1-CG 4.13Å; V14-I29 HydrophobicContact CB-CG2 4.4Å; V14-I29 HydrophobicContact CG1-CG2 4.3Å; V14-I29 HydrophobicContact CG2-CG2 4.2Å; V14-L314 HydrophobicContact CB-CB 4.36Å; V14-L314 HydrophobicContact CG1-CB 4.1Å; V14-L314 HydrophobicContact CG1-CD2 3.87Å; V14-L314 HydrophobicContact CG1-CG 4.4Å; V14-A317 HydrophobicContact CB-CB 4.31Å; V14-A317 HydrophobicContact CG1-CB 3.84Å; V14-A317 HydrophobicContact CG2-CB 3.51Å; V14-F318 HydrophobicContact CG2-CD2 4.31Å; V14-F318 HydrophobicContact CG2-CE2 3.91Å
15E93.8Very high88.4Confident54 Ų5441.3 Ų41.325%0.25225%0.247SC..EExtended strand (participates in β ladder)trans-95.9-45.9-175-62.8-164.1151.100112.5E28 R30 K40E15-E28 HydrophobicContact CB-CB 4.44Å; E15-E28 HydrophobicContact CB-CG 4.26Å; E15-E28 PolarHBondContact N-O 3.02Å; E15-R30 HydrophobicContact CG-CB 4.41Å; E15-R30 IonicContact OE1-CZ 2.75Å; E15-R30 IonicContact OE1-NE 2.78Å; E15-R30 PolarHBondContact OE1-NE 3.44Å; E15-R30 IonicContact OE1-NH2 2.72Å; E15-R30 PolarHBondContact OE1-NH2 2.91Å; E15-R30 IonicContact OE2-NH2 3.2Å; E15-K40 WeakPolarHBondContact OE2-CE 3.08Å; E15-K40 IonicContact OE2-NZ 2.69Å; E15-K40 PolarHBondContact OE2-NZ 3.22Å
16R91.8Very high89.7Confident75 Ų7537.9 Ų37.928%0.28322%0.221SC..EExtended strand (participates in β ladder)trans-155.7155.5-179.556.4174.5135.1104.8-1.2113Y27 E28 S308R16-Y27 CarbonylContact O-C 3.46Å; R16-Y27 VanDerWaalsContact O-CA 3.28Å; R16-Y27 WeakPolarHBondContact O-CA 3.14Å; R16-E28 HydrophobicContact CG-CB 3.53Å; R16-E28 HydrophobicContact CG-CG 4.41Å; R16-E28 IonicContact CZ-OE1 2.7Å; R16-E28 IonicContact CZ-OE2 2.74Å; R16-E28 IonicContact NE-OE1 3.87Å; R16-E28 PolarHBondContact NE-OE1 2.56Å; R16-E28 IonicContact NE-OE2 3.93Å; R16-E28 PolarHBondContact NE-OE2 3.2Å; R16-E28 IonicContact NH1-OE1 2.67Å; R16-E28 IonicContact NH1-OE2 2.69Å; R16-E28 PolarHBondContact NH1-OE2 3.43Å; R16-E28 IonicContact NH2-OE1 2.69Å; R16-E28 PolarHBondContact NH2-OE1 2.79Å; R16-E28 IonicContact NH2-OE2 3.15Å; R16-E28 PolarHBondContact NH2-OE2 3.44Å; R16-E28 PolarHBondContact O-N 3.11Å; R16-S308 CarbonylContact C-O 3.51Å; R16-S308 WeakPolarHBondContact CA-O 3.4Å
17F90.1Very high90.6Very high12 Ų1236 Ų365%0.05320%0.203CC..EExtended strand (participates in β ladder)trans-77.8129.7166.5175.9-113.6000110.2G19 R20 F25 V26 Y27 S308 L313 L314 F326F17-G19 VanDerWaalsContact CE2-C 3.41Å; F17-G19 WeakPolarHBondContact CE2-O 3.37Å; F17-G19 WeakPolarHBondContact CZ-O 3.38Å; F17-R20 HydrophobicContact CZ-CB 4.07Å; F17-F25 HydrophobicContact CE2-CB 4.31Å; F17-F25 AromaticContact CE2-CD1 3.65Å; F17-F25 HydrophobicContact CE2-CD1 3.65Å; F17-F25 HydrophobicContact CE2-CG 4.47Å; F17-F25 HydrophobicContact CZ-CD1 4.11Å; F17-V26 WeakPolarHBondContact CD2-O 3.5Å; F17-Y27 HydrophobicContact CB-CD1 4.22Å; F17-Y27 HydrophobicContact CB-CE1 4.33Å; F17-Y27 HydrophobicContact CD2-CD1 4.05Å; F17-Y27 AromaticContact CD2-CE1 3.78Å; F17-Y27 HydrophobicContact CD2-CE1 3.78Å; F17-S308 PolarHBondContact N-O 2.9Å; F17-S308 WeakPolarHBondContact O-CB 3.42Å; F17-L313 HydrophobicContact CB-CD2 3.54Å; F17-L313 HydrophobicContact CB-CG 4.06Å; F17-L313 HydrophobicContact CD1-CD2 3.78Å; F17-L313 HydrophobicContact CD2-CD1 4.41Å; F17-L313 HydrophobicContact CD2-CD2 4.22Å; F17-L313 HydrophobicContact CD2-CG 4.45Å; F17-L313 HydrophobicContact CG-CD2 3.58Å; F17-L313 HydrophobicContact CG-CG 4.21Å; F17-L314 HydrophobicContact CB-CD2 4.36Å; F17-F326 HydrophobicContact CE1-CZ 4.15Å; F17-F326 HydrophobicContact CZ-CZ 4.12Å
18I87.5Confident91Very high27 Ų2735.4 Ų35.414%0.13820%0.198CC..EExtended strand (participates in β ladder)trans-97.9-44.7179.3-64.8178.7000110.7V26 E28 K300I18-V26 WeakPolarHBondContact CA-O 3.4Å; I18-V26 HydrophobicContact CB-CB 4.26Å; I18-V26 HydrophobicContact CB-CG1 4.08Å; I18-V26 WeakPolarHBondContact CB-O 3.43Å; I18-V26 HydrophobicContact CD1-CG1 4.25Å; I18-V26 HydrophobicContact CG2-CG1 4.29Å; I18-V26 PolarHBondContact N-O 3.12Å; I18-E28 HydrophobicContact CD1-CB 4.03Å; I18-E28 HydrophobicContact CG1-CB 4.28Å; I18-K300 WeakPolarHBondContact O-CD 3.3Å
19G84.4Confident91.4Very high6 Ų633.4 Ų33.46%0.06219%0.185CC..EExtended strand (participates in β ladder)trans172173.6-175.700000114.6F17 V26F17-G19 VanDerWaalsContact CE2-C 3.41Å; F17-G19 WeakPolarHBondContact CE2-O 3.37Å; F17-G19 WeakPolarHBondContact CZ-O 3.38Å; G19-V26 PolarHBondContact N-O 3.11Å; G19-V26 PolarHBondContact O-N 3.26Å
20R85.6Confident91.7Very high99 Ų9936.4 Ų36.437%0.37419%0.192SC..EExtended strand (participates in β ladder)trans-121.1130-177.5171.5-177.3171.1-1724.9110.8F17 F25F17-R20 HydrophobicContact CZ-CB 4.07Å; R20-F25 HydrophobicContact CB-CD1 4.17Å; R20-F25 HydrophobicContact CB-CE1 4.16Å; R20-F25 HydrophobicContact CG-CD1 4.32Å; R20-F25 HydrophobicContact CG-CE1 4.02Å; R20-F25 HydrophobicContact CG-CZ 4.27Å
21G83.3Confident91.9Very high32 Ų3232.6 Ų32.633%0.3316%0.164SC..  trans-93.4-167.7167.900000112.7S24G21-S24 PolarHBondContact N-O 3.27Å
22C83.5Confident91.9Very high32 Ų3233.9 Ų33.922%0.21617%0.173CC..SBendtrans-65.5-50.7178.3-170.60000111.6
23Y90Very high91.7Very high45 Ų4536 Ų3618%0.17619%0.188CC..SBendtrans-118.217.4-177.1-50.1-58.7000112.2F46 L47 A53 C56Y23-F46 CarbonylContact O-C 3.5Å; Y23-F46 VanDerWaalsContact O-CA 3.28Å; Y23-F46 WeakPolarHBondContact O-CA 3.33Å; Y23-L47 PolarHBondContact O-N 3.45Å; Y23-A53 HydrophobicContact CD1-CB 3.71Å; Y23-A53 HydrophobicContact CD2-CB 4.18Å; Y23-A53 HydrophobicContact CE1-CB 4.18Å; Y23-A53 HydrophobicContact CG-CB 3.71Å; Y23-C56 HydrophobicContact CD2-CB 4.38Å
24S92.3Very high91.3Very high10 Ų1035.2 Ų35.27%0.0720%0.195CC..EExtended strand (participates in β ladder)trans-146.5156.2-170.661.30000113.8G21 R45G21-S24 PolarHBondContact N-O 3.27Å; S24-R45 CarbonylContact C-O 3.49Å; S24-R45 WeakPolarHBondContact CA-O 3.45Å; S24-R45 VanDerWaalsContact CB-O 3.23Å; S24-R45 WeakPolarHBondContact CB-O 3.32Å
25F92.2Very high90.9Very high1 Ų139.8 Ų39.80%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-120.4141.1166.9-69.9-96.8000108.3F17 R20 Y27 R45 L47 R322 F326F17-F25 HydrophobicContact CE2-CB 4.31Å; F17-F25 AromaticContact CE2-CD1 3.65Å; F17-F25 HydrophobicContact CE2-CD1 3.65Å; F17-F25 HydrophobicContact CE2-CG 4.47Å; F17-F25 HydrophobicContact CZ-CD1 4.11Å; R20-F25 HydrophobicContact CB-CD1 4.17Å; R20-F25 HydrophobicContact CB-CE1 4.16Å; R20-F25 HydrophobicContact CG-CD1 4.32Å; R20-F25 HydrophobicContact CG-CE1 4.02Å; R20-F25 HydrophobicContact CG-CZ 4.27Å; F25-Y27 HydrophobicContact CB-CD2 4.41Å; F25-Y27 HydrophobicContact CB-CE2 3.49Å; F25-Y27 VanDerWaalsContact CB-CE2 3.49Å; F25-R45 PolarHBondContact N-O 3.05Å; F25-R45 PolarHBondContact O-N 3.28Å; F25-L47 HydrophobicContact CD2-CD1 4.27Å; F25-L47 HydrophobicContact CD2-CG 4.4Å; F25-L47 HydrophobicContact CE2-CD1 3.59Å; F25-L47 HydrophobicContact CE2-CG 4.16Å; F25-R322 HydrophobicContact CE2-CG 4.34Å; F25-R322 HydrophobicContact CZ-CG 4.27Å; F25-F326 HydrophobicContact CE1-CB 4.21Å; F25-F326 AromaticContact CE1-CD1 3.97Å; F25-F326 HydrophobicContact CE1-CD1 3.97Å; F25-F326 AromaticContact CE1-CD2 3.6Å; F25-F326 HydrophobicContact CE1-CD2 3.6Å; F25-F326 HydrophobicContact CE1-CE1 4.21Å; F25-F326 AromaticContact CE1-CE2 3.88Å; F25-F326 HydrophobicContact CE1-CE2 3.88Å; F25-F326 AromaticContact CE1-CG 3.64Å; F25-F326 HydrophobicContact CE1-CG 3.64Å; F25-F326 HydrophobicContact CE1-CZ 4.16Å; F25-F326 HydrophobicContact CZ-CB 3.91Å; F25-F326 HydrophobicContact CZ-CD1 4.34Å; F25-F326 HydrophobicContact CZ-CD2 4.12Å; F25-F326 AromaticContact CZ-CG 3.86Å; F25-F326 HydrophobicContact CZ-CG 3.86Å
26V92.8Very high90.9Very high33 Ų3337.6 Ų37.620%0.220%0.203CC..EExtended strand (participates in β ladder)trans-116.3129.5-178.4-170.60000108.7F17 I18 G19 A42 L43 K44F17-V26 WeakPolarHBondContact CD2-O 3.5Å; I18-V26 WeakPolarHBondContact CA-O 3.4Å; I18-V26 HydrophobicContact CB-CB 4.26Å; I18-V26 HydrophobicContact CB-CG1 4.08Å; I18-V26 WeakPolarHBondContact CB-O 3.43Å; I18-V26 HydrophobicContact CD1-CG1 4.25Å; I18-V26 HydrophobicContact CG2-CG1 4.29Å; I18-V26 PolarHBondContact N-O 3.12Å; G19-V26 PolarHBondContact N-O 3.11Å; G19-V26 PolarHBondContact O-N 3.26Å; V26-A42 HydrophobicContact CG1-CB 4.39Å; V26-L43 CarbonylContact C-O 3.31Å; V26-L43 WeakPolarHBondContact CA-O 3.39Å; V26-K44 HydrophobicContact CG2-CG 4.26Å
27Y94Very high90.9Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-125.8154.9178.4-55-97.3000109.9V14 R16 F17 F25 A42 L43 R45 L313 L314 A317V14-Y27 HydrophobicContact CG1-CD1 3.91Å; V14-Y27 HydrophobicContact CG1-CG 4.13Å; R16-Y27 CarbonylContact O-C 3.46Å; R16-Y27 VanDerWaalsContact O-CA 3.28Å; R16-Y27 WeakPolarHBondContact O-CA 3.14Å; F17-Y27 HydrophobicContact CB-CD1 4.22Å; F17-Y27 HydrophobicContact CB-CE1 4.33Å; F17-Y27 HydrophobicContact CD2-CD1 4.05Å; F17-Y27 AromaticContact CD2-CE1 3.78Å; F17-Y27 HydrophobicContact CD2-CE1 3.78Å; F25-Y27 HydrophobicContact CB-CD2 4.41Å; F25-Y27 HydrophobicContact CB-CE2 3.49Å; F25-Y27 VanDerWaalsContact CB-CE2 3.49Å; Y27-A42 CarbonylContact O-C 3.56Å; Y27-A42 WeakPolarHBondContact O-CA 3.37Å; Y27-L43 HydrophobicContact CD2-CD2 4.26Å; Y27-L43 PolarHBondContact N-O 3.48Å; Y27-L43 PolarHBondContact O-N 2.89Å; Y27-R45 HydrophobicContact CE2-CB 4.47Å; Y27-L313 HydrophobicContact CE1-CD1 4.28Å; Y27-L313 HydrophobicContact CE1-CG 4.31Å; Y27-L314 HydrophobicContact CD1-CD2 4Å; Y27-L314 HydrophobicContact CE1-CD2 4.36Å; Y27-A317 HydrophobicContact CD1-CB 4.14Å; Y27-A317 HydrophobicContact CD2-CB 3.9Å; Y27-A317 HydrophobicContact CE1-CB 4.22Å; Y27-A317 HydrophobicContact CE2-CB 3.99Å; Y27-A317 HydrophobicContact CG-CB 3.99Å
28E94.3Very high91.2Very high1 Ų138.2 Ų38.21%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-84.3133.3159.7-176159.2115.600109E15 R16 I18 K40E15-E28 HydrophobicContact CB-CB 4.44Å; E15-E28 HydrophobicContact CB-CG 4.26Å; E15-E28 PolarHBondContact N-O 3.02Å; R16-E28 HydrophobicContact CG-CB 3.53Å; R16-E28 HydrophobicContact CG-CG 4.41Å; R16-E28 IonicContact CZ-OE1 2.7Å; R16-E28 IonicContact CZ-OE2 2.74Å; R16-E28 IonicContact NE-OE1 3.87Å; R16-E28 PolarHBondContact NE-OE1 2.56Å; R16-E28 IonicContact NE-OE2 3.93Å; R16-E28 PolarHBondContact NE-OE2 3.2Å; R16-E28 IonicContact NH1-OE1 2.67Å; R16-E28 IonicContact NH1-OE2 2.69Å; R16-E28 PolarHBondContact NH1-OE2 3.43Å; R16-E28 IonicContact NH2-OE1 2.69Å; R16-E28 PolarHBondContact NH2-OE1 2.79Å; R16-E28 IonicContact NH2-OE2 3.15Å; R16-E28 PolarHBondContact NH2-OE2 3.44Å; R16-E28 PolarHBondContact O-N 3.11Å; I18-E28 HydrophobicContact CD1-CB 4.03Å; I18-E28 HydrophobicContact CG1-CB 4.28Å; E28-K40 IonicContact OE1-NZ 2.78Å; E28-K40 PolarHBondContact OE1-NZ 2.77Å
29I96.8Very high91.5Very high0 Ų038 Ų380%023%0.227CC..EExtended strand (participates in β ladder)trans-131.2155.6176.958.1166.7000110F12 V13 V14 K40 Y41 L43 V93F12-I29 HydrophobicContact CB-CB 4.41Å; F12-I29 HydrophobicContact CB-CD1 4.35Å; F12-I29 HydrophobicContact CD1-CD1 3.49Å; F12-I29 VanDerWaalsContact CD1-CD1 3.49Å; F12-I29 HydrophobicContact CD1-CG1 4.26Å; F12-I29 HydrophobicContact CE1-CD1 3.87Å; F12-I29 HydrophobicContact CG-CD1 3.96Å; V13-I29 CarbonylContact O-C 3.54Å; V13-I29 WeakPolarHBondContact O-CA 3.46Å; V14-I29 HydrophobicContact CB-CG2 4.4Å; V14-I29 HydrophobicContact CG1-CG2 4.3Å; V14-I29 HydrophobicContact CG2-CG2 4.2Å; I29-K40 WeakPolarHBondContact O-CA 3.37Å; I29-Y41 WeakPolarHBondContact CG1-O 3.32Å; I29-Y41 PolarHBondContact N-O 3.35Å; I29-Y41 PolarHBondContact O-N 3.04Å; I29-L43 HydrophobicContact CB-CB 4.5Å; I29-L43 HydrophobicContact CD1-CB 3.77Å; I29-L43 HydrophobicContact CD1-CD1 4.09Å; I29-L43 HydrophobicContact CD1-CG 4.46Å; I29-L43 HydrophobicContact CG1-CB 4Å; I29-L43 HydrophobicContact CG2-CB 3.66Å; I29-L43 HydrophobicContact CG2-CD2 4.01Å; I29-L43 HydrophobicContact CG2-CG 4.41Å; I29-V93 HydrophobicContact CD1-CB 4.38Å; I29-V93 HydrophobicContact CD1-CG1 3.76Å; I29-V93 HydrophobicContact CD1-CG2 3.83Å
30R97.2Very high92.1Very high93 Ų9341 Ų4135%0.35124%0.238SC..EExtended strand (participates in β ladder)trans-120.4131.8171.7-174.2-176.7-59.2-119.24.4110F12 V13 E15 S39F12-R30 CarbonylContact C-O 3.32Å; F12-R30 VanDerWaalsContact CA-O 3.3Å; F12-R30 WeakPolarHBondContact CA-O 3.47Å; V13-R30 PolarHBondContact N-O 3.45Å; V13-R30 PolarHBondContact O-N 3.17Å; E15-R30 HydrophobicContact CG-CB 4.41Å; E15-R30 IonicContact OE1-CZ 2.75Å; E15-R30 IonicContact OE1-NE 2.78Å; E15-R30 PolarHBondContact OE1-NE 3.44Å; E15-R30 IonicContact OE1-NH2 2.72Å; E15-R30 PolarHBondContact OE1-NH2 2.91Å; E15-R30 IonicContact OE2-NH2 3.2Å; R30-S39 WeakPolarHBondContact CA-O 3.44Å
31K96.5Very high92.6Very high11 Ų1136.8 Ų36.85%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-69.5137172.6-167.979.1167.665.10110.5D11 F12 T33 D36 G38 S39 Y41D11-K31 HydrophobicContact CB-CD 4.42Å; F12-K31 HydrophobicContact CD1-CB 4.34Å; F12-K31 HydrophobicContact CD1-CD 3.78Å; F12-K31 HydrophobicContact CE1-CB 4.24Å; F12-K31 HydrophobicContact CE1-CD 3.21Å; F12-K31 HydrophobicContact CE1-CG 4.34Å; F12-K31 HydrophobicContact CE2-CD 4.24Å; F12-K31 HydrophobicContact CZ-CD 3.47Å; F12-K31 VanDerWaalsContact CZ-CD 3.47Å; K31-T33 VanDerWaalsContact CG-O 3.23Å; K31-T33 WeakPolarHBondContact CG-O 3.29Å; K31-T33 PolarHBondContact NZ-O 3.44Å; K31-T33 PolarHBondContact NZ-OG1 3.31Å; K31-D36 WeakPolarHBondContact CG-OD2 3.42Å; K31-G38 PolarHBondContact O-N 3.2Å; K31-S39 PolarHBondContact N-O 3.26Å; K31-Y41 HydrophobicContact CB-CE2 4.07Å
32T95.8Very high93.2Very high61 Ų6136 Ų3637%0.37421%0.213SC..  trans-111.5-18179.855.80000114.2D11 V13 S37D11-T32 VanDerWaalsContact C-OG1 3.28Å; D11-T32 PolarHBondContact O-N 2.82Å; D11-T32 PolarHBondContact O-OG1 2.98Å; V13-T32 HydrophobicContact CB-CG2 4.36Å; V13-T32 HydrophobicContact CG2-CG2 3.59Å; T32-S37 PolarHBondContact O-OG 2.73Å
33T92.1Very high93.9Very high58 Ų5834.5 Ų34.536%0.35620%0.202SC..SBendtrans-126.8165.4-175.460.70000111.1D11 K31D11-T33 WeakPolarHBondContact CB-OG1 3.49Å; D11-T33 PolarHBondContact OD1-OG1 2.77Å; K31-T33 VanDerWaalsContact CG-O 3.23Å; K31-T33 WeakPolarHBondContact CG-O 3.29Å; K31-T33 PolarHBondContact NZ-O 3.44Å; K31-T33 PolarHBondContact NZ-OG1 3.31Å
34G87.4Confident94.2Very high60 Ų6033.1 Ų33.162%0.61920%0.197SC*.SBendtrans77.9-174.6175.400000114.7D36 S37G34-D36 VanDerWaalsContact C-N 3.33Å; G34-D36 PolarHBondContact O-N 3.27Å; G34-S37 VanDerWaalsContact O-CB 3.32Å; G34-S37 WeakPolarHBondContact O-CB 3.28Å; G34-S37 PolarHBondContact O-N 3.25Å
35F87.5Confident94.3Very high126 Ų12632.7 Ų32.755%0.55319%0.194SC*.THydrogen-bonded Turntrans-66-33.7-173.9176.3-98.4000113.3S37F35-S37 VanDerWaalsContact C-N 3.3Å
36D92.8Very high94.4Very high8 Ų833 Ų334%0.04320%0.196CC..THydrogen-bonded Turntrans-90.913.4179.765.6-45.7000113K31 G34 G38 S39 Y41 Y82 L372K31-D36 WeakPolarHBondContact CG-OD2 3.42Å; G34-D36 VanDerWaalsContact C-N 3.33Å; G34-D36 PolarHBondContact O-N 3.27Å; D36-G38 PolarHBondContact O-N 3.41Å; D36-S39 WeakPolarHBondContact O-CB 3.46Å; D36-S39 PolarHBondContact O-N 3.02Å; D36-S39 PolarHBondContact O-OG 3.49Å; D36-Y41 WeakPolarHBondContact CB-OH 3.48Å; D36-Y41 WeakPolarHBondContact OD2-CE2 3.47Å; D36-Y41 PolarHBondContact OD2-OH 3.32Å; D36-Y82 PolarHBondContact OD1-OH 3.04Å; D36-Y82 VanDerWaalsContact OD1-OH 3.07Å; D36-Y82 PolarHBondContact OD2-OH 3.15Å; D36-L372 HydrophobicContact CB-CD2 4.21Å
37S93.7Very high94.4Very high62 Ų6231.7 Ų31.743%0.43419%0.187SC..THydrogen-bonded Turntrans-52.8137178.2-175.20000112.1T32 G34 F35 S39T32-S37 PolarHBondContact O-OG 2.73Å; G34-S37 VanDerWaalsContact O-CB 3.32Å; G34-S37 WeakPolarHBondContact O-CB 3.28Å; G34-S37 PolarHBondContact O-N 3.25Å; F35-S37 VanDerWaalsContact C-N 3.3Å; S37-S39 VanDerWaalsContact C-N 3.29Å
38G94.5Very high94.3Very high38 Ų3832.5 Ų32.539%0.39219%0.191SC..THydrogen-bonded Turntrans88.7-16.4-173.500000114.4K31 D36K31-G38 PolarHBondContact O-N 3.2Å; D36-G38 PolarHBondContact O-N 3.41Å
39S95.2Very high94.1Very high23 Ų2335.3 Ų35.316%0.16121%0.205CC..  trans-69.1145.7177.7-56.20000111.9R30 K31 D36 S37 Y41 L385R30-S39 WeakPolarHBondContact CA-O 3.44Å; K31-S39 PolarHBondContact N-O 3.26Å; D36-S39 WeakPolarHBondContact O-CB 3.46Å; D36-S39 PolarHBondContact O-N 3.02Å; D36-S39 PolarHBondContact O-OG 3.49Å; S37-S39 VanDerWaalsContact C-N 3.29Å; S39-Y41 WeakPolarHBondContact CB-OH 3.32Å; S39-L385 WeakPolarHBondContact OG-CD1 3.46Å
40K95.9Very high93.7Very high68 Ų6836.9 Ų36.930%0.29622%0.215SC..EExtended strand (participates in β ladder)trans-98.7145.4176-69.2-171.9172-144.10111.5E15 E28 I29 E96E15-K40 WeakPolarHBondContact OE2-CE 3.08Å; E15-K40 IonicContact OE2-NZ 2.69Å; E15-K40 PolarHBondContact OE2-NZ 3.22Å; E28-K40 IonicContact OE1-NZ 2.78Å; E28-K40 PolarHBondContact OE1-NZ 2.77Å; I29-K40 WeakPolarHBondContact O-CA 3.37Å; K40-E96 WeakPolarHBondContact CB-OE2 3.47Å
41Y97Very high93.5Very high11 Ų1134.7 Ų34.74%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-143.1163.1-179.1-60.9-77.6000111.6F12 I29 K31 D36 S39 C81 V93 L94F12-Y41 HydrophobicContact CE1-CD2 4.38Å; I29-Y41 WeakPolarHBondContact CG1-O 3.32Å; I29-Y41 PolarHBondContact N-O 3.35Å; I29-Y41 PolarHBondContact O-N 3.04Å; K31-Y41 HydrophobicContact CB-CE2 4.07Å; D36-Y41 WeakPolarHBondContact CB-OH 3.48Å; D36-Y41 WeakPolarHBondContact OD2-CE2 3.47Å; D36-Y41 PolarHBondContact OD2-OH 3.32Å; S39-Y41 WeakPolarHBondContact CB-OH 3.32Å; Y41-C81 HydrophobicContact CD1-CB 4.33Å; Y41-C81 HydrophobicContact CE1-CB 4.08Å; Y41-C81 VanDerWaalsContact CE1-SG 3.54Å; Y41-V93 VanDerWaalsContact CB-CG1 3.42Å; Y41-V93 HydrophobicContact CD1-CG1 4.03Å; Y41-V93 HydrophobicContact CD2-CG1 4.03Å; Y41-V93 HydrophobicContact CG-CG1 3.56Å; Y41-L94 WeakPolarHBondContact CB-O 3.13Å
42A96.6Very high93.2Very high15 Ų1535.6 Ų35.612%0.12422%0.218CC..EExtended strand (participates in β ladder)trans-94.9122.1165.900000109.8V26 Y27 L94V26-A42 HydrophobicContact CG1-CB 4.39Å; Y27-A42 CarbonylContact O-C 3.56Å; Y27-A42 WeakPolarHBondContact O-CA 3.37Å; A42-L94 PolarHBondContact N-O 3.36Å; A42-L94 PolarHBondContact O-N 3.42Å
43L97.1Very high93Very high0 Ų032.7 Ų32.70%020%0.201CC..EExtended strand (participates in β ladder)trans-93.1110.5171.6-178.275.2000109.7V26 Y27 I29 M84 A91 F92 V93 A317 F318V26-L43 CarbonylContact C-O 3.31Å; V26-L43 WeakPolarHBondContact CA-O 3.39Å; Y27-L43 HydrophobicContact CD2-CD2 4.26Å; Y27-L43 PolarHBondContact N-O 3.48Å; Y27-L43 PolarHBondContact O-N 2.89Å; I29-L43 HydrophobicContact CB-CB 4.5Å; I29-L43 HydrophobicContact CD1-CB 3.77Å; I29-L43 HydrophobicContact CD1-CD1 4.09Å; I29-L43 HydrophobicContact CD1-CG 4.46Å; I29-L43 HydrophobicContact CG1-CB 4Å; I29-L43 HydrophobicContact CG2-CB 3.66Å; I29-L43 HydrophobicContact CG2-CD2 4.01Å; I29-L43 HydrophobicContact CG2-CG 4.41Å; L43-M84 HydrophobicContact CD1-CE 4.38Å; L43-A91 HydrophobicContact CD1-CB 3.75Å; L43-A91 HydrophobicContact CG-CB 4.46Å; L43-F92 CarbonylContact C-O 3.54Å; L43-F92 WeakPolarHBondContact CA-O 3.13Å; L43-V93 HydrophobicContact CD1-CG2 3.88Å; L43-A317 HydrophobicContact CD2-CB 3.88Å; L43-A317 WeakPolarHBondContact CD2-O 3.44Å; L43-F318 HydrophobicContact CD1-CD1 4.32Å; L43-F318 HydrophobicContact CD1-CE1 3.49Å; L43-F318 VanDerWaalsContact CD1-CE1 3.49Å; L43-F318 HydrophobicContact CD1-CZ 3.86Å; L43-F318 HydrophobicContact CD2-CD1 4.09Å; L43-F318 HydrophobicContact CD2-CD2 4.32Å; L43-F318 HydrophobicContact CD2-CE1 3.65Å; L43-F318 HydrophobicContact CD2-CE2 3.9Å; L43-F318 HydrophobicContact CD2-CG 4.42Å; L43-F318 HydrophobicContact CD2-CZ 3.55Å; L43-F318 HydrophobicContact CG-CE1 4.23Å; L43-F318 HydrophobicContact CG-CZ 4.34Å
44K96.3Very high93.1Very high17 Ų1730 Ų307%0.07418%0.184CC..EExtended strand (participates in β ladder)trans-95.699.8170.2-169.8-180-170-168.10108.7V26 F46 E60 A91 F92 L94 D158V26-K44 HydrophobicContact CG2-CG 4.26Å; K44-F46 HydrophobicContact CD-CE1 4.03Å; K44-F46 HydrophobicContact CD-CZ 3.68Å; K44-F46 HydrophobicContact CG-CE1 4.12Å; K44-F46 HydrophobicContact CG-CE2 4.35Å; K44-F46 HydrophobicContact CG-CZ 3.81Å; K44-F46 WeakPolarHBondContact O-CE2 3.46Å; K44-E60 IonicContact NZ-OE1 2.84Å; K44-E60 PolarHBondContact NZ-OE1 3.38Å; K44-E60 IonicContact NZ-OE2 3.28Å; K44-E60 PolarHBondContact NZ-OE2 3.31Å; K44-A91 CarbonylContact O-C 3.55Å; K44-A91 VanDerWaalsContact O-CA 3.28Å; K44-A91 WeakPolarHBondContact O-CA 3.32Å; K44-F92 HydrophobicContact CB-CB 4.38Å; K44-F92 HydrophobicContact CD-CD2 4.41Å; K44-F92 PolarHBondContact N-O 3.32Å; K44-F92 PolarHBondContact O-N 2.94Å; K44-L94 HydrophobicContact CB-CD1 4.46Å; K44-D158 IonicContact NZ-OD1 3.25Å; K44-D158 PolarHBondContact NZ-OD1 3.17Å
45R94.9Very high93.4Very high0 Ų030.7 Ų30.70%017%0.17CC..EExtended strand (participates in β ladder)trans-92136.6177.5-169.2-156.397.8174.314.8110.3S24 F25 Y27 G316 A317 K319 W321S24-R45 CarbonylContact C-O 3.49Å; S24-R45 WeakPolarHBondContact CA-O 3.45Å; S24-R45 VanDerWaalsContact CB-O 3.23Å; S24-R45 WeakPolarHBondContact CB-O 3.32Å; F25-R45 PolarHBondContact N-O 3.05Å; F25-R45 PolarHBondContact O-N 3.28Å; Y27-R45 HydrophobicContact CE2-CB 4.47Å; R45-G316 PolarHBondContact NH1-O 3.49Å; R45-A317 WeakPolarHBondContact CB-O 3.17Å; R45-A317 WeakPolarHBondContact CD-O 3.49Å; R45-A317 WeakPolarHBondContact CG-O 3.5Å; R45-K319 WeakPolarHBondContact CD-O 3.21Å; R45-K319 PolarHBondContact NE-O 3.01Å; R45-K319 VanDerWaalsContact NE-O 3.09Å; R45-K319 PolarHBondContact NH1-O 3.16Å; R45-K319 VanDerWaalsContact NH1-O 3.16Å; R45-K319 PolarHBondContact NH2-O 3.1Å; R45-W321 PolarHBondContact NH1-O 3.26Å; R45-W321 PolarHBondContact NH2-O 2.94Å
46F94.4Very high93.7Very high9 Ų925.3 Ų25.34%0.03915%0.148CC..EExtended strand (participates in β ladder)trans-102.6155.3-178.9-59.3-82.7000113.8Y23 K44 L48 V57 S90 F92Y23-F46 CarbonylContact O-C 3.5Å; Y23-F46 VanDerWaalsContact O-CA 3.28Å; Y23-F46 WeakPolarHBondContact O-CA 3.33Å; K44-F46 HydrophobicContact CD-CE1 4.03Å; K44-F46 HydrophobicContact CD-CZ 3.68Å; K44-F46 HydrophobicContact CG-CE1 4.12Å; K44-F46 HydrophobicContact CG-CE2 4.35Å; K44-F46 HydrophobicContact CG-CZ 3.81Å; K44-F46 WeakPolarHBondContact O-CE2 3.46Å; F46-L48 HydrophobicContact CB-CD2 4.5Å; F46-V57 HydrophobicContact CB-CG2 3.61Å; F46-V57 HydrophobicContact CD1-CG2 3.3Å; F46-V57 HydrophobicContact CD2-CG1 4.04Å; F46-V57 HydrophobicContact CD2-CG2 3.87Å; F46-V57 HydrophobicContact CE1-CG2 3.83Å; F46-V57 HydrophobicContact CE2-CG1 4.33Å; F46-V57 HydrophobicContact CE2-CG2 4.36Å; F46-V57 HydrophobicContact CG-CB 4.45Å; F46-V57 HydrophobicContact CG-CG1 4.3Å; F46-V57 HydrophobicContact CG-CG2 3.3Å; F46-V57 HydrophobicContact CZ-CG2 4.33Å; F46-S90 PolarHBondContact N-O 2.9Å; F46-F92 HydrophobicContact CE1-CE2 4.43Å; F46-F92 HydrophobicContact CE2-CD1 4.08Å; F46-F92 AromaticContact CE2-CD2 3.44Å; F46-F92 HydrophobicContact CE2-CD2 3.44Å; F46-F92 VanDerWaalsContact CE2-CD2 3.44Å; F46-F92 AromaticContact CE2-CE1 4Å; F46-F92 HydrophobicContact CE2-CE1 4Å; F46-F92 AromaticContact CE2-CE2 3.33Å; F46-F92 HydrophobicContact CE2-CE2 3.33Å; F46-F92 AromaticContact CE2-CG 3.8Å; F46-F92 HydrophobicContact CE2-CG 3.8Å; F46-F92 AromaticContact CE2-CZ 3.6Å; F46-F92 HydrophobicContact CE2-CZ 3.6Å; F46-F92 AromaticContact CZ-CD2 3.46Å; F46-F92 HydrophobicContact CZ-CD2 3.46Å; F46-F92 VanDerWaalsContact CZ-CD2 3.46Å; F46-F92 AromaticContact CZ-CE2 3.2Å; F46-F92 HydrophobicContact CZ-CE2 3.2Å; F46-F92 HydrophobicContact CZ-CG 4.28Å; F46-F92 AromaticContact CZ-CZ 3.85Å; F46-F92 HydrophobicContact CZ-CZ 3.85Å
47L92.1Very high93.9Very high4 Ų425 Ų252%0.02115%0.146CC..  trans-111.4104.5171.1-76.9-179.8000108.5Y23 F25 E49 A53 P320 R322Y23-L47 PolarHBondContact O-N 3.45Å; F25-L47 HydrophobicContact CD2-CD1 4.27Å; F25-L47 HydrophobicContact CD2-CG 4.4Å; F25-L47 HydrophobicContact CE2-CD1 3.59Å; F25-L47 HydrophobicContact CE2-CG 4.16Å; L47-E49 HydrophobicContact CB-CG 4.17Å; L47-E49 WeakPolarHBondContact CD1-OE1 3.39Å; L47-E49 PolarHBondContact O-N 3.13Å; L47-A53 WeakPolarHBondContact O-CB 3.21Å; L47-P320 WeakPolarHBondContact CD2-O 3.28Å; L47-R322 HydrophobicContact CD1-CB 4.39Å; L47-R322 HydrophobicContact CD1-CG 4.26Å; L47-R322 HydrophobicContact CD2-CB 4.23Å
48L92.3Very high94Very high17 Ų1724.3 Ų24.39%0.08914%0.137CC..  trans-82.573.7176.3-56.1-172.5000109.5F46 V54 V57 W85 L348 F362F46-L48 HydrophobicContact CB-CD2 4.5Å; L48-V54 HydrophobicContact CB-CG2 4.34Å; L48-V54 HydrophobicContact CD2-CG2 4.19Å; L48-V57 HydrophobicContact CD2-CB 4.41Å; L48-V57 HydrophobicContact CD2-CG2 3.99Å; L48-W85 HydrophobicContact CD1-CH2 3.7Å; L48-W85 HydrophobicContact CD1-CZ3 3.48Å; L48-W85 VanDerWaalsContact CD1-CZ3 3.48Å; L48-L348 HydrophobicContact CB-CD1 4.13Å; L48-L348 WeakPolarHBondContact O-CD1 3.25Å; L48-F362 HydrophobicContact CD1-CE1 4.41Å; L48-F362 HydrophobicContact CD1-CE2 4.05Å; L48-F362 HydrophobicContact CD1-CZ 3.77Å; L48-F362 HydrophobicContact CD2-CZ 4.25Å
49E89.3Confident94.1Very high61 Ų6124.5 Ų24.529%0.28513%0.127SC..  trans-107-5.3-177.7-68173177.600112.8L47 R322 P345 S347L47-E49 HydrophobicContact CB-CG 4.17Å; L47-E49 WeakPolarHBondContact CD1-OE1 3.39Å; L47-E49 PolarHBondContact O-N 3.13Å; E49-R322 IonicContact OE1-CZ 3.26Å; E49-R322 IonicContact OE1-NE 3Å; E49-R322 PolarHBondContact OE1-NE 3.34Å; E49-R322 IonicContact OE1-NH2 2.64Å; E49-R322 PolarHBondContact OE1-NH2 2.86Å; E49-R322 IonicContact OE2-CZ 2.7Å; E49-R322 IonicContact OE2-NH2 3.75Å; E49-R322 PolarHBondContact OE2-NH2 3.06Å; E49-P345 HydrophobicContact CG-CG 4.49Å; E49-S347 WeakPolarHBondContact O-CB 3.04Å; E49-S347 PolarHBondContact O-OG 2.98Å
50S90.2Very high94.2Very high32 Ų3223.6 Ų23.622%0.22412%0.12CC..SBendtrans-154.1162.3179.269.90000112.1S52 A53 V54 L348S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.27Å; S50-A53 WeakPolarHBondContact O-CB 3.4Å; S50-A53 PolarHBondContact O-N 3.15Å; S50-A53 VanDerWaalsContact O-N 3.09Å; S50-A53 PolarHBondContact OG-N 3.33Å; S50-V54 PolarHBondContact O-N 2.95Å; S50-V54 VanDerWaalsContact O-N 3.15Å; S50-L348 WeakPolarHBondContact O-CD2 3.25Å
51D91.3Very high94.2Very high47 Ų4720.8 Ų20.825%0.25111%0.107SC..Hα-helixtrans-56.4-44.3173.9179.666000111.8A53 V54 K55 A351 Y353D51-A53 VanDerWaalsContact C-N 3.27Å; D51-A53 PolarHBondContact O-N 3.19Å; D51-V54 PolarHBondContact O-N 3.24Å; D51-K55 WeakPolarHBondContact O-CG 3.32Å; D51-K55 PolarHBondContact O-N 3.33Å; D51-K55 WeakPolarHBondContact OD2-CD 3.46Å; D51-K55 WeakPolarHBondContact OD2-CE 3.48Å; D51-K55 IonicContact OD2-NZ 2.68Å; D51-K55 PolarHBondContact OD2-NZ 3.32Å; D51-A351 HydrophobicContact CB-CB 4.19Å; D51-Y353 HydrophobicContact CB-CE2 4.09Å; D51-Y353 VanDerWaalsContact OD1-CE2 3.29Å; D51-Y353 WeakPolarHBondContact OD1-CE2 3.43Å; D51-Y353 PolarHBondContact OD1-OH 2.72Å
52S90.9Very high94.2Very high30 Ų3024.7 Ų24.721%0.2112%0.122CC..Hα-helixtrans-58.5-38.1175.4-41.50000112.1S50 C56 D435S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 3.27Å; S52-C56 WeakPolarHBondContact O-CB 3.46Å; S52-C56 PolarHBondContact O-N 3.3Å; S52-C56 PolarHBondContact O-SG 2.65Å; S52-D435 PolarHBondContact OG-OD1 2.83Å; S52-D435 VanDerWaalsContact OG-OD1 3.12Å
53A92Very high94.3Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-65.2-45.5177.300000111.6Y23 L47 S50 D51 C56 V57Y23-A53 HydrophobicContact CD1-CB 3.71Å; Y23-A53 HydrophobicContact CD2-CB 4.18Å; Y23-A53 HydrophobicContact CE1-CB 4.18Å; Y23-A53 HydrophobicContact CG-CB 3.71Å; L47-A53 WeakPolarHBondContact O-CB 3.21Å; S50-A53 WeakPolarHBondContact O-CB 3.4Å; S50-A53 PolarHBondContact O-N 3.15Å; S50-A53 VanDerWaalsContact O-N 3.09Å; S50-A53 PolarHBondContact OG-N 3.33Å; D51-A53 VanDerWaalsContact C-N 3.27Å; D51-A53 PolarHBondContact O-N 3.19Å; A53-C56 PolarHBondContact O-N 3.1Å; A53-V57 VanDerWaalsContact O-CG2 3.29Å; A53-V57 WeakPolarHBondContact O-CG2 3.23Å; A53-V57 PolarHBondContact O-N 2.84Å
54V94.5Very high94.4Very high1 Ų124.1 Ų24.11%0.00612%0.117CC..Hα-helixtrans-60.2-48.3176.8175.20000110.8L48 S50 D51 C56 V57 L58 L348 Y353 L358 L361 F362L48-V54 HydrophobicContact CB-CG2 4.34Å; L48-V54 HydrophobicContact CD2-CG2 4.19Å; S50-V54 PolarHBondContact O-N 2.95Å; S50-V54 VanDerWaalsContact O-N 3.15Å; D51-V54 PolarHBondContact O-N 3.24Å; V54-C56 PolarHBondContact O-N 3.48Å; V54-V57 PolarHBondContact O-N 3.46Å; V54-L58 HydrophobicContact CG1-CD1 3.89Å; V54-L58 HydrophobicContact CG1-CG 4.5Å; V54-L58 WeakPolarHBondContact O-CG 3.21Å; V54-L58 PolarHBondContact O-N 3.12Å; V54-L58 VanDerWaalsContact O-N 3.09Å; V54-L348 HydrophobicContact CG2-CD1 4.36Å; V54-L348 HydrophobicContact CG2-CD2 3.9Å; V54-Y353 HydrophobicContact CB-CE1 4.4Å; V54-Y353 HydrophobicContact CG1-CE1 3.88Å; V54-Y353 HydrophobicContact CG2-CE1 4.37Å; V54-L358 HydrophobicContact CG1-CD2 4.49Å; V54-L358 HydrophobicContact CG2-CD2 4.15Å; V54-L361 HydrophobicContact CG1-CD1 4.45Å; V54-F362 HydrophobicContact CG1-CE2 4.14Å
55K93.4Very high94.4Very high75 Ų7525.8 Ų25.833%0.32613%0.125SC..Hα-helixtrans-58.6-45.7177.1-73.8172.2172.3165.50112.3D51 V57 R59 D174D51-K55 WeakPolarHBondContact O-CG 3.32Å; D51-K55 PolarHBondContact O-N 3.33Å; D51-K55 WeakPolarHBondContact OD2-CD 3.46Å; D51-K55 WeakPolarHBondContact OD2-CE 3.48Å; D51-K55 IonicContact OD2-NZ 2.68Å; D51-K55 PolarHBondContact OD2-NZ 3.32Å; K55-V57 PolarHBondContact O-N 2.97Å; K55-R59 WeakPolarHBondContact O-CB 3.48Å; K55-R59 PolarHBondContact O-N 3.09Å; K55-D174 IonicContact NZ-OD2 2.73Å; K55-D174 PolarHBondContact NZ-OD2 3.25Å
56C94.1Very high94.5Very high14 Ų1428.9 Ų28.910%0.09514%0.136CC..Hα-helixtrans-60.8-44.9179.1-71.60000111.9Y23 S52 A53 V54 R59 E60 D160Y23-C56 HydrophobicContact CD2-CB 4.38Å; S52-C56 WeakPolarHBondContact O-CB 3.46Å; S52-C56 PolarHBondContact O-N 3.3Å; S52-C56 PolarHBondContact O-SG 2.65Å; A53-C56 PolarHBondContact O-N 3.1Å; V54-C56 PolarHBondContact O-N 3.48Å; C56-R59 PolarHBondContact O-N 3Å; C56-E60 WeakPolarHBondContact O-CB 3.3Å; C56-E60 PolarHBondContact O-N 3.37Å; C56-D160 HydrophobicContact CB-CB 4.31Å
57V95.9Very high94.7Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-64.9-46.7-179172.80000111.9F46 L48 A53 V54 K55 E60 R61 F92 F362 F365F46-V57 HydrophobicContact CB-CG2 3.61Å; F46-V57 HydrophobicContact CD1-CG2 3.3Å; F46-V57 HydrophobicContact CD2-CG1 4.04Å; F46-V57 HydrophobicContact CD2-CG2 3.87Å; F46-V57 HydrophobicContact CE1-CG2 3.83Å; F46-V57 HydrophobicContact CE2-CG1 4.33Å; F46-V57 HydrophobicContact CE2-CG2 4.36Å; F46-V57 HydrophobicContact CG-CB 4.45Å; F46-V57 HydrophobicContact CG-CG1 4.3Å; F46-V57 HydrophobicContact CG-CG2 3.3Å; F46-V57 HydrophobicContact CZ-CG2 4.33Å; L48-V57 HydrophobicContact CD2-CB 4.41Å; L48-V57 HydrophobicContact CD2-CG2 3.99Å; A53-V57 VanDerWaalsContact O-CG2 3.29Å; A53-V57 WeakPolarHBondContact O-CG2 3.23Å; A53-V57 PolarHBondContact O-N 2.84Å; V54-V57 PolarHBondContact O-N 3.46Å; K55-V57 PolarHBondContact O-N 2.97Å; V57-E60 PolarHBondContact O-N 3.43Å; V57-R61 WeakPolarHBondContact O-CB 3.29Å; V57-R61 PolarHBondContact O-N 3.4Å; V57-F92 HydrophobicContact CG1-CZ 4.39Å; V57-F362 HydrophobicContact CB-CZ 4.49Å; V57-F362 HydrophobicContact CG1-CE1 3.73Å; V57-F362 HydrophobicContact CG1-CZ 3.99Å; V57-F365 HydrophobicContact CG1-CE2 3.58Å; V57-F365 HydrophobicContact CG1-CZ 3.81Å
58L96.2Very high94.9Very high48 Ų4828.7 Ų28.725%0.25114%0.136SC..Hα-helixtrans-65.9-40.5179.5-67.2173.6000111.8V54 R62 L361 F362V54-L58 HydrophobicContact CG1-CD1 3.89Å; V54-L58 HydrophobicContact CG1-CG 4.5Å; V54-L58 WeakPolarHBondContact O-CG 3.21Å; V54-L58 PolarHBondContact O-N 3.12Å; V54-L58 VanDerWaalsContact O-N 3.09Å; L58-R62 WeakPolarHBondContact O-CB 3.39Å; L58-R62 PolarHBondContact O-N 2.99Å; L58-L361 HydrophobicContact CD1-CB 4.19Å; L58-L361 HydrophobicContact CD1-CD2 4.31Å; L58-F362 HydrophobicContact CD1-CE2 4.42Å; L58-F362 HydrophobicContact CD2-CD1 4.28Å; L58-F362 HydrophobicContact CD2-CD2 4.1Å; L58-F362 HydrophobicContact CD2-CE1 4.08Å; L58-F362 HydrophobicContact CD2-CE2 3.92Å; L58-F362 HydrophobicContact CD2-CG 4.28Å; L58-F362 HydrophobicContact CD2-CZ 3.89Å; L58-F362 HydrophobicContact CG-CE2 4.2Å; L58-F362 HydrophobicContact CG-CZ 4.14Å
59R95.9Very high95.1Very high43 Ų4332.6 Ų32.616%0.16216%0.157CC..Hα-helixtrans-61.1-51.2174.6178.8-165.2-75160.8-7.6111.3K55 C56 R61 R62 I63 D160 S162 D174 D175K55-R59 WeakPolarHBondContact O-CB 3.48Å; K55-R59 PolarHBondContact O-N 3.09Å; C56-R59 PolarHBondContact O-N 3Å; R59-R61 PolarHBondContact O-N 3.35Å; R59-R62 PolarHBondContact O-N 3.15Å; R59-I63 HydrophobicContact CG-CD1 4.38Å; R59-I63 PolarHBondContact O-N 3.46Å; R59-I63 VanDerWaalsContact O-N 3.17Å; R59-D160 VanDerWaalsContact CD-O 3.24Å; R59-D160 WeakPolarHBondContact CD-O 3.39Å; R59-D160 PolarHBondContact NH1-O 3.1Å; R59-S162 WeakPolarHBondContact CD-O 3.42Å; R59-D174 PolarHBondContact NH2-O 3.31Å; R59-D175 IonicContact NH2-OD1 3.07Å; R59-D175 PolarHBondContact NH2-OD1 3.27Å
60E97.2Very high95.3Very high3 Ų331.5 Ų31.51%0.01416%0.155CC..Hα-helixtrans-61.5-46179.7-163.7174.4-176.200111K44 C56 V57 R62 I63 L64 F92 L159 D160K44-E60 IonicContact NZ-OE1 2.84Å; K44-E60 PolarHBondContact NZ-OE1 3.38Å; K44-E60 IonicContact NZ-OE2 3.28Å; K44-E60 PolarHBondContact NZ-OE2 3.31Å; C56-E60 WeakPolarHBondContact O-CB 3.3Å; C56-E60 PolarHBondContact O-N 3.37Å; V57-E60 PolarHBondContact O-N 3.43Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 2.97Å; E60-I63 PolarHBondContact O-N 3.09Å; E60-L64 HydrophobicContact CG-CD1 3.82Å; E60-L64 HydrophobicContact CG-CG 4.24Å; E60-L64 WeakPolarHBondContact O-CB 3.35Å; E60-L64 WeakPolarHBondContact O-CG 3.29Å; E60-L64 PolarHBondContact O-N 3.39Å; E60-F92 HydrophobicContact CB-CE2 3.92Å; E60-F92 HydrophobicContact CB-CZ 4.3Å; E60-F92 HydrophobicContact CG-CE2 3.77Å; E60-L159 HydrophobicContact CG-CB 4.15Å; E60-D160 HydrophobicContact CB-CB 4.38Å
61R97.6Very high95.3Very high10 Ų1038.4 Ų38.44%0.03819%0.19CC..Hα-helixtrans-56.5-44.8178.4174.253.5-171.363.73.4112V57 R59 E65 S83 F92 S364 F365V57-R61 WeakPolarHBondContact O-CB 3.29Å; V57-R61 PolarHBondContact O-N 3.4Å; R59-R61 PolarHBondContact O-N 3.35Å; R61-E65 IonicContact CZ-OE1 3.58Å; R61-E65 IonicContact CZ-OE2 3.58Å; R61-E65 IonicContact NH1-OE1 3.42Å; R61-E65 PolarHBondContact NH1-OE1 3.32Å; R61-E65 IonicContact NH1-OE2 2.72Å; R61-E65 PolarHBondContact NH1-OE2 3.15Å; R61-E65 VanDerWaalsContact NH2-CD 3.32Å; R61-E65 IonicContact NH2-OE1 2.84Å; R61-E65 PolarHBondContact NH2-OE1 2.7Å; R61-E65 IonicContact NH2-OE2 3.51Å; R61-E65 WeakPolarHBondContact O-CB 2.95Å; R61-E65 PolarHBondContact O-N 3.38Å; R61-E65 VanDerWaalsContact O-N 3.08Å; R61-S83 WeakPolarHBondContact CD-OG 3.48Å; R61-S83 PolarHBondContact NE-OG 2.87Å; R61-F92 HydrophobicContact CB-CE1 3.72Å; R61-F92 HydrophobicContact CB-CZ 3.62Å; R61-F92 HydrophobicContact CG-CE1 4.17Å; R61-S364 PolarHBondContact NH2-O 3.41Å; R61-F365 HydrophobicContact CB-CD2 4.15Å; R61-F365 HydrophobicContact CB-CE2 3.73Å; R61-F365 HydrophobicContact CG-CD2 3.65Å; R61-F365 HydrophobicContact CG-CE2 3.68Å; R61-F365 HydrophobicContact CG-CG 4.4Å; R61-F365 HydrophobicContact CG-CZ 4.48Å; R61-F365 PolarHBondContact NE-O 3.06Å
62R97.1Very high95.4Very high93 Ų9340.1 Ų40.135%0.35120%0.195SC..Hα-helixtrans-62.4-46.6178.6175-174.6161.2153.53111.7L58 R59 E60 R66 D164 Q167L58-R62 WeakPolarHBondContact O-CB 3.39Å; L58-R62 PolarHBondContact O-N 2.99Å; R59-R62 PolarHBondContact O-N 3.15Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 2.97Å; R62-R66 WeakPolarHBondContact O-CG 3.3Å; R62-R66 PolarHBondContact O-N 3.33Å; R62-R66 VanDerWaalsContact O-N 3.07Å; R62-D164 IonicContact CZ-OD2 3.4Å; R62-D164 IonicContact NE-OD2 3.41Å; R62-D164 PolarHBondContact NE-OD2 2.95Å; R62-D164 IonicContact NH2-OD2 2.8Å; R62-D164 PolarHBondContact NH2-OD2 3.07Å; R62-Q167 VanDerWaalsContact CZ-NE2 3.25Å; R62-Q167 VanDerWaalsContact NH1-NE2 3.11Å
63I97.9Very high95.5Very high2 Ų240.5 Ų40.51%0.0119%0.194CC..Hα-helixtrans-67.4-44.2-177.9-71.6174.7000110.8R59 E60 E65 R66 L67 I136 L159 S162R59-I63 HydrophobicContact CG-CD1 4.38Å; R59-I63 PolarHBondContact O-N 3.46Å; R59-I63 VanDerWaalsContact O-N 3.17Å; E60-I63 PolarHBondContact O-N 3.09Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.25Å; I63-R66 PolarHBondContact O-N 3.35Å; I63-L67 HydrophobicContact CG2-CD1 4.24Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.26Å; I63-I136 HydrophobicContact CD1-CG2 4.13Å; I63-I136 HydrophobicContact CG1-CD1 4.49Å; I63-I136 HydrophobicContact CG2-CD1 4.06Å; I63-I136 HydrophobicContact CG2-CG2 4.39Å; I63-L159 HydrophobicContact CG2-CB 4.09Å; I63-L159 HydrophobicContact CG2-CD1 3.59Å; I63-L159 HydrophobicContact CG2-CG 4.39Å; I63-S162 VanDerWaalsContact CD1-CB 3.4Å
64L98.2Very high95.7Very high0 Ų041.1 Ų41.10%020%0.198CC..Hα-helixtrans-61.6-39.1178-77.2174.7000112.9E60 L67 A68 P78 L80 F92 L94 L159E60-L64 HydrophobicContact CG-CD1 3.82Å; E60-L64 HydrophobicContact CG-CG 4.24Å; E60-L64 WeakPolarHBondContact O-CB 3.35Å; E60-L64 WeakPolarHBondContact O-CG 3.29Å; E60-L64 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 2.94Å; L64-A68 WeakPolarHBondContact O-CB 3.05Å; L64-A68 PolarHBondContact O-N 2.87Å; L64-P78 HydrophobicContact CD2-CB 3.9Å; L64-P78 HydrophobicContact CD2-CG 4.37Å; L64-L80 HydrophobicContact CB-CB 4Å; L64-L80 HydrophobicContact CB-CD2 3.93Å; L64-L80 HydrophobicContact CB-CG 4.45Å; L64-L80 HydrophobicContact CD1-CD1 4.43Å; L64-F92 HydrophobicContact CD1-CD2 3.61Å; L64-F92 HydrophobicContact CD1-CE2 3.73Å; L64-F92 HydrophobicContact CD1-CG 4.26Å; L64-F92 HydrophobicContact CD1-CZ 4.44Å; L64-L94 HydrophobicContact CD1-CD2 4.08Å; L64-L94 HydrophobicContact CD2-CD2 4.41Å; L64-L159 HydrophobicContact CD2-CD1 3.97Å; L64-L159 HydrophobicContact CG-CD1 4.5Å
65E97.4Very high95.8Very high53 Ų5341.6 Ų41.625%0.24820%0.201CC..Hα-helixtrans-68.7-40.8174167178.6-114.300112.4R61 I63 L67 A68 L69 F367R61-E65 IonicContact CZ-OE1 3.58Å; R61-E65 IonicContact CZ-OE2 3.58Å; R61-E65 IonicContact NH1-OE1 3.42Å; R61-E65 PolarHBondContact NH1-OE1 3.32Å; R61-E65 IonicContact NH1-OE2 2.72Å; R61-E65 PolarHBondContact NH1-OE2 3.15Å; R61-E65 VanDerWaalsContact NH2-CD 3.32Å; R61-E65 IonicContact NH2-OE1 2.84Å; R61-E65 PolarHBondContact NH2-OE1 2.7Å; R61-E65 IonicContact NH2-OE2 3.51Å; R61-E65 WeakPolarHBondContact O-CB 2.95Å; R61-E65 PolarHBondContact O-N 3.38Å; R61-E65 VanDerWaalsContact O-N 3.08Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.25Å; E65-L67 PolarHBondContact O-N 3.05Å; E65-A68 CarbonylContact O-C 3.6Å; E65-A68 WeakPolarHBondContact O-CB 3.25Å; E65-A68 PolarHBondContact O-N 2.89Å; E65-A68 VanDerWaalsContact O-N 3.12Å; E65-L69 HydrophobicContact CG-CD1 3.67Å; E65-L69 HydrophobicContact CG-CG 4.15Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 VanDerWaalsContact O-CG 3.28Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 3.36Å; E65-F367 HydrophobicContact CG-CD2 4.24Å; E65-F367 HydrophobicContact CG-CE2 3.9Å; E65-F367 HydrophobicContact CG-CZ 4.48Å; E65-F367 WeakPolarHBondContact OE1-CD2 3.38Å
66R97.3Very high96Very high65 Ų6538.1 Ų38.125%0.24519%0.186CC..Hα-helixtrans-55.8-43.1173.6-75.2-176.665.7-158-6.5111.3R62 I63 L69 C70 M134 D164 S166R62-R66 WeakPolarHBondContact O-CG 3.3Å; R62-R66 PolarHBondContact O-N 3.33Å; R62-R66 VanDerWaalsContact O-N 3.07Å; I63-R66 PolarHBondContact O-N 3.35Å; R66-L69 PolarHBondContact O-N 2.85Å; R66-C70 PolarHBondContact O-N 3.44Å; R66-C70 PolarHBondContact O-SG 2.99Å; R66-M134 HydrophobicContact CB-CE 3.8Å; R66-M134 PolarHBondContact NH2-O 3.03Å; R66-M134 VanDerWaalsContact NH2-O 3.1Å; R66-D164 IonicContact CZ-OD2 3.48Å; R66-D164 IonicContact NH1-OD1 2.92Å; R66-D164 PolarHBondContact NH1-OD1 3.25Å; R66-D164 IonicContact NH1-OD2 3.37Å; R66-D164 PolarHBondContact NH1-OD2 3.44Å; R66-S166 PolarHBondContact NH1-OG 3.42Å
67L97.7Very high96.2Very high4 Ų437.7 Ų37.72%0.02118%0.183CC..Hα-helixtrans-63.5-47.3174.4-69167.9000111.6I63 L64 E65 L69 C70 Q73 L77 L131 M134 L159I63-L67 HydrophobicContact CG2-CD1 4.24Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.26Å; L64-L67 PolarHBondContact O-N 2.94Å; E65-L67 PolarHBondContact O-N 3.05Å; L67-L69 PolarHBondContact O-N 3.17Å; L67-C70 WeakPolarHBondContact O-CB 3.45Å; L67-C70 PolarHBondContact O-N 2.72Å; L67-C70 VanDerWaalsContact O-N 3.11Å; L67-Q73 PolarHBondContact O-NE2 3.08Å; L67-Q73 PolarHBondContact O-OE1 2.96Å; L67-Q73 VanDerWaalsContact O-OE1 3.13Å; L67-L77 HydrophobicContact CD1-CD1 4.31Å; L67-L77 HydrophobicContact CD2-CD1 3.69Å; L67-L131 HydrophobicContact CD1-CD2 4.22Å; L67-L131 HydrophobicContact CD2-CD2 4.23Å; L67-M134 HydrophobicContact CD2-SD 3.63Å; L67-L159 HydrophobicContact CD1-CD1 3.52Å
68A96.6Very high96.3Very high4 Ų438.2 Ų38.23%0.03319%0.186CC..Hα-helixtrans-60.1-26.7177.900000113.9L64 E65 Q73 F367 H369L64-A68 WeakPolarHBondContact O-CB 3.05Å; L64-A68 PolarHBondContact O-N 2.87Å; E65-A68 CarbonylContact O-C 3.6Å; E65-A68 WeakPolarHBondContact O-CB 3.25Å; E65-A68 PolarHBondContact O-N 2.89Å; E65-A68 VanDerWaalsContact O-N 3.12Å; A68-Q73 VanDerWaalsContact C-NE2 3.26Å; A68-Q73 PolarHBondContact O-NE2 3.38Å; A68-F367 HydrophobicContact CB-CE1 3.8Å; A68-F367 HydrophobicContact CB-CZ 3.69Å; A68-H369 PolarHBondContact O-NE2 3.3Å
69L95.9Very high96.3Very high99 Ų9936.7 Ų36.752%0.51818%0.178SC..THydrogen-bonded Turntrans-94.8-2.4179.4-64177.5000113.7E65 R66 L67 F367 P370E65-L69 HydrophobicContact CG-CD1 3.67Å; E65-L69 HydrophobicContact CG-CG 4.15Å; E65-L69 WeakPolarHBondContact O-CB 3.49Å; E65-L69 VanDerWaalsContact O-CG 3.28Å; E65-L69 WeakPolarHBondContact O-CG 3.4Å; E65-L69 PolarHBondContact O-N 3.36Å; R66-L69 PolarHBondContact O-N 2.85Å; L67-L69 PolarHBondContact O-N 3.17Å; L69-F367 HydrophobicContact CD2-CE2 4.23Å; L69-F367 HydrophobicContact CD2-CZ 4.33Å; L69-F367 HydrophobicContact CG-CE2 4.49Å; L69-P370 HydrophobicContact CD2-CG 3.74Å
70C94.3Very high96.4Very high38 Ų3834.7 Ų34.726%0.25717%0.17SC..SBendtrans-71.5143.6172.4-76.40000111.6R66 L67 F72 Q73 M134R66-C70 PolarHBondContact O-N 3.44Å; R66-C70 PolarHBondContact O-SG 2.99Å; L67-C70 WeakPolarHBondContact O-CB 3.45Å; L67-C70 PolarHBondContact O-N 2.72Å; L67-C70 VanDerWaalsContact O-N 3.11Å; C70-F72 PolarHBondContact O-N 3.33Å; C70-Q73 PolarHBondContact O-NE2 3.18Å; C70-M134 WeakPolarHBondContact SG-CE 3.43Å; C70-M134 VanDerWaalsContact SG-SD 3.69Å
71D90.9Very high96.4Very high178 Ų17834.8 Ų34.895%0.95217%0.172SC*.SBendtrans-59-36.2174.4-63.2-33.2000112
72F92.5Very high96.3Very high83 Ų8334.9 Ų34.936%0.36417%0.172SC..SBendtrans-103.1119.1177.1178.6-103.9000111.1C70 H130 M390 L392C70-F72 PolarHBondContact O-N 3.33Å; F72-H130 AromaticContact CD1-CE1 3.68Å; F72-H130 AromaticContact CD1-ND1 3.6Å; F72-H130 AromaticContact CE1-ND1 4Å; F72-H130 PolarHBondContact O-CE1 3.44Å; F72-H130 VanDerWaalsContact O-CE1 3.31Å; F72-M390 HydrophobicContact CE2-CE 3.61Å; F72-M390 HydrophobicContact CZ-CE 4.02Å; F72-L392 HydrophobicContact CD2-CD1 4.46Å; F72-L392 HydrophobicContact CE2-CD1 4.13Å
73Q92.5Very high96.3Very high38 Ų3830.4 Ų30.418%0.17816%0.155CC..  trans-92.7109.1173.6-65.6-60.7-8.800111.2L67 A68 C70 M79 H369L67-Q73 PolarHBondContact O-NE2 3.08Å; L67-Q73 PolarHBondContact O-OE1 2.96Å; L67-Q73 VanDerWaalsContact O-OE1 3.13Å; A68-Q73 VanDerWaalsContact C-NE2 3.26Å; A68-Q73 PolarHBondContact O-NE2 3.38Å; C70-Q73 PolarHBondContact O-NE2 3.18Å; Q73-M79 HydrophobicContact CB-CE 3.94Å; Q73-M79 HydrophobicContact CG-CE 4.04Å; Q73-H369 PolarHBondContact NE2-NE2 3.21Å
74S95.9Very high96.2Very high12 Ų1230.6 Ų30.68%0.08416%0.156CC..  trans-67.5126.7177.1-1800000110.8F76 L77S74-F76 PolarHBondContact O-N 3.2Å; S74-F76 PolarHBondContact OG-N 3.38Å; S74-L77 PolarHBondContact O-N 2.93Å
75P96.7Very high96Very high12 Ų1231.7 Ų31.78%0.07816%0.16CC..THydrogen-bonded Turntrans-74.4-2.6175.433.9-36.2000112.3Y149 R283P75-Y149 WeakPolarHBondContact O-CE2 3.38Å; P75-R283 HydrophobicContact CB-CG 4.47Å; P75-R283 HydrophobicContact CG-CG 4.31Å; P75-R283 PolarHBondContact O-NH2 3.39Å
76F98.4Very high95.6Very high2 Ų233.4 Ų33.41%0.00917%0.168CC..THydrogen-bonded Turntrans-105.112.4-178.8-55.1-71.4000113.2S74 E123 C126 V154 F155 V156 A280 G281 R283S74-F76 PolarHBondContact O-N 3.2Å; S74-F76 PolarHBondContact OG-N 3.38Å; F76-E123 HydrophobicContact CD1-CB 3.73Å; F76-E123 HydrophobicContact CD1-CG 4.31Å; F76-E123 HydrophobicContact CE1-CB 3.66Å; F76-E123 HydrophobicContact CE1-CG 3.71Å; F76-E123 HydrophobicContact CZ-CG 4.44Å; F76-C126 HydrophobicContact CD2-CB 3.42Å; F76-C126 VanDerWaalsContact CD2-CB 3.42Å; F76-C126 HydrophobicContact CE2-CB 3.69Å; F76-C126 HydrophobicContact CG-CB 4.01Å; F76-C126 HydrophobicContact CZ-CB 4.5Å; F76-V154 VanDerWaalsContact CD1-O 3.3Å; F76-V154 WeakPolarHBondContact CD1-O 3.31Å; F76-F155 WeakPolarHBondContact O-CA 3.45Å; F76-F155 WeakPolarHBondContact O-CB 3.16Å; F76-V156 PolarHBondContact O-N 3.35Å; F76-A280 WeakPolarHBondContact CZ-O 3.49Å; F76-G281 WeakPolarHBondContact CE2-O 3.38Å; F76-R283 HydrophobicContact CE1-CG 3.77Å; F76-R283 HydrophobicContact CE2-CG 4.45Å; F76-R283 HydrophobicContact CZ-CG 3.48Å; F76-R283 VanDerWaalsContact CZ-CG 3.48Å
77L98.4Very high95Very high5 Ų536 Ų363%0.02619%0.187CC..SBendtrans-133.1161.5176.5-67.1174.8000110.8L67 S74 H130 L131 V156L67-L77 HydrophobicContact CD1-CD1 4.31Å; L67-L77 HydrophobicContact CD2-CD1 3.69Å; S74-L77 PolarHBondContact O-N 2.93Å; L77-H130 HydrophobicContact CD1-CB 3.93Å; L77-H130 VanDerWaalsContact CD1-CD2 3.45Å; L77-H130 WeakPolarHBondContact CD1-CD2 3.37Å; L77-L131 HydrophobicContact CD1-CD2 3.8Å; L77-L131 HydrophobicContact CD1-CG 3.85Å; L77-L131 HydrophobicContact CD2-CD1 3.83Å; L77-L131 HydrophobicContact CD2-CD2 4.07Å; L77-L131 HydrophobicContact CD2-CG 3.76Å; L77-L131 HydrophobicContact CG-CG 4.49Å; L77-V156 HydrophobicContact CD2-CB 4.15Å
78P97.2Very high94.4Very high11 Ų1138.2 Ų38.27%0.07120%0.195CC..  trans-70.4135.9179.5-13.932000110.2L64 F155 V156L64-P78 HydrophobicContact CD2-CB 3.9Å; L64-P78 HydrophobicContact CD2-CG 4.37Å; P78-F155 HydrophobicContact CG-CD2 4.38Å; P78-F155 HydrophobicContact CG-CE2 4.46Å; P78-V156 VanDerWaalsContact CD-O 3.23Å; P78-V156 WeakPolarHBondContact CD-O 3.31Å
79M96.8Very high94.1Very high16 Ų1638.5 Ų38.58%0.07920%0.197CC..  trans-98.8116.5172.4178-179.3-73.100109.2Q73 C81 L94 R95Q73-M79 HydrophobicContact CB-CE 3.94Å; Q73-M79 HydrophobicContact CG-CE 4.04Å; M79-C81 PolarHBondContact O-N 3.27Å; M79-L94 WeakPolarHBondContact O-CA 3.21Å; M79-R95 HydrophobicContact CB-CB 4.1Å; M79-R95 VanDerWaalsContact CE-NH2 3.25Å; M79-R95 PolarHBondContact O-N 3.26Å; M79-R95 PolarHBondContact SD-NH2 3.39Å
80L97.7Very high94Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-77.9109.8173-179.267.7000110L64 Y82 F92 L94 F367 H369L64-L80 HydrophobicContact CB-CB 4Å; L64-L80 HydrophobicContact CB-CD2 3.93Å; L64-L80 HydrophobicContact CB-CG 4.45Å; L64-L80 HydrophobicContact CD1-CD1 4.43Å; L80-Y82 WeakPolarHBondContact CD1-O 3.34Å; L80-F92 HydrophobicContact CD1-CB 3.82Å; L80-F92 HydrophobicContact CD1-CD1 4.15Å; L80-F92 HydrophobicContact CD1-CG 4.08Å; L80-L94 HydrophobicContact CB-CD2 4.26Å; L80-L94 HydrophobicContact CD1-CD2 3.83Å; L80-F367 HydrophobicContact CD2-CD1 3.82Å; L80-F367 HydrophobicContact CD2-CE1 4.22Å; L80-F367 HydrophobicContact CD2-CG 4.43Å; L80-F367 HydrophobicContact CG-CD1 4.08Å; L80-F367 HydrophobicContact CG-CE1 4.37Å; L80-H369 WeakPolarHBondContact O-CB 3.29Å; L80-H369 PolarHBondContact O-CD2 3.42Å; L80-H369 VanDerWaalsContact O-CD2 3.24Å
81C96.7Very high94.1Very high6 Ų632 Ų324%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-84.7-46.3177.3-62.20000110.8Y41 M79 V93 H369 L372Y41-C81 HydrophobicContact CD1-CB 4.33Å; Y41-C81 HydrophobicContact CE1-CB 4.08Å; Y41-C81 VanDerWaalsContact CE1-SG 3.54Å; M79-C81 PolarHBondContact O-N 3.27Å; C81-V93 HydrophobicContact CB-CG1 4.45Å; C81-V93 WeakPolarHBondContact CB-O 3.42Å; C81-V93 PolarHBondContact N-O 3Å; C81-H369 WeakPolarHBondContact O-CB 3.48Å; C81-H369 PolarHBondContact O-N 3.09Å; C81-L372 HydrophobicContact CB-CD1 3.68Å
82Y96.8Very high94.5Very high11 Ų1123.6 Ų23.64%0.04312%0.115CC..EExtended strand (participates in β ladder)trans-143.5151.5177.7-50.5-90.5000110.6P7 F12 D36 L80 V93 F367 I368 L372P7-Y82 HydrophobicContact CB-CD1 3.83Å; P7-Y82 HydrophobicContact CB-CG 4.3Å; P7-Y82 HydrophobicContact CG-CD1 4.47Å; F12-Y82 AromaticContact CZ-CD2 3.95Å; F12-Y82 HydrophobicContact CZ-CD2 3.95Å; F12-Y82 HydrophobicContact CZ-CE2 4.21Å; F12-Y82 HydrophobicContact CZ-CG 4.38Å; D36-Y82 PolarHBondContact OD1-OH 3.04Å; D36-Y82 VanDerWaalsContact OD1-OH 3.07Å; D36-Y82 PolarHBondContact OD2-OH 3.15Å; L80-Y82 WeakPolarHBondContact CD1-O 3.34Å; Y82-V93 HydrophobicContact CD2-CB 3.91Å; Y82-V93 HydrophobicContact CD2-CG1 3.84Å; Y82-V93 HydrophobicContact CD2-CG2 4.43Å; Y82-V93 HydrophobicContact CG-CB 4.38Å; Y82-V93 PolarHBondContact N-O 2.69Å; Y82-V93 VanDerWaalsContact N-O 3.16Å; Y82-V93 PolarHBondContact O-N 3.04Å; Y82-F367 VanDerWaalsContact CA-O 3.26Å; Y82-F367 WeakPolarHBondContact CA-O 3.4Å; Y82-I368 HydrophobicContact CD1-CB 4.27Å; Y82-I368 HydrophobicContact CD1-CG1 4Å; Y82-I368 HydrophobicContact CD1-CG2 4.01Å; Y82-I368 HydrophobicContact CE1-CB 4.38Å; Y82-I368 HydrophobicContact CE1-CG1 4.26Å; Y82-I368 HydrophobicContact CE1-CG2 3.65Å; Y82-L372 HydrophobicContact CD2-CD1 4.45Å; Y82-L372 HydrophobicContact CE1-CD1 4.35Å; Y82-L372 HydrophobicContact CE2-CD1 3.68Å
83S97.3Very high94.7Very high0 Ų019.6 Ų19.60%010%0.098CC..EExtended strand (participates in β ladder)trans-133.5145159.454.40000110.1P7 R61 A91 F365 N366 F367P7-S83 WeakPolarHBondContact CG-O 3.39Å; R61-S83 WeakPolarHBondContact CD-OG 3.48Å; R61-S83 PolarHBondContact NE-OG 2.87Å; S83-A91 VanDerWaalsContact CA-O 3.29Å; S83-A91 WeakPolarHBondContact CA-O 3.16Å; S83-F365 WeakPolarHBondContact CB-O 3.42Å; S83-F365 PolarHBondContact OG-O 3.4Å; S83-N366 VanDerWaalsContact O-CA 3.3Å; S83-N366 WeakPolarHBondContact O-CA 3.34Å; S83-F367 PolarHBondContact N-O 3.19Å; S83-F367 PolarHBondContact O-N 2.88Å; S83-F367 WeakPolarHBondContact OG-CB 3.01Å
84M95Very high95Very high5 Ų518.8 Ų18.83%0.02510%0.095CC..EExtended strand (participates in β ladder)trans-132131.1-170.9-72.3171.6-81.100110.1P7 P9 F12 L43 S90 A91 V93 F318 F365 N366P7-M84 HydrophobicContact CB-CG 3.65Å; P7-M84 HydrophobicContact CB-SD 3.98Å; P7-M84 HydrophobicContact CG-CG 3.6Å; P7-M84 WeakPolarHBondContact O-CG 3.3Å; P9-M84 HydrophobicContact CG-SD 4.42Å; F12-M84 HydrophobicContact CD2-CE 4.43Å; F12-M84 HydrophobicContact CE2-CE 3.96Å; F12-M84 HydrophobicContact CE2-SD 4.27Å; L43-M84 HydrophobicContact CD1-CE 4.38Å; M84-S90 CarbonylContact O-C 3.48Å; M84-S90 VanDerWaalsContact O-CA 3.32Å; M84-S90 WeakPolarHBondContact O-CA 3.48Å; M84-A91 PolarHBondContact N-O 3.21Å; M84-A91 PolarHBondContact O-N 3.18Å; M84-V93 HydrophobicContact CE-CG2 3.37Å; M84-F318 HydrophobicContact CE-CE1 3.84Å; M84-F318 HydrophobicContact SD-CE1 4.46Å; M84-F365 WeakPolarHBondContact O-CD1 3.35Å; M84-F365 WeakPolarHBondContact O-CE1 3.47Å; M84-N366 VanDerWaalsContact CA-OD1 3.29Å; M84-N366 WeakPolarHBondContact CA-OD1 3.47Å
85W94Very high94.9Very high23 Ų2321 Ų219%0.08710%0.101CC..EExtended strand (participates in β ladder)trans-123.8110.1166.7175-106.7000107.6L48 Y88 S89 L358 D359 F362 F365 N366L48-W85 HydrophobicContact CD1-CH2 3.7Å; L48-W85 HydrophobicContact CD1-CZ3 3.48Å; L48-W85 VanDerWaalsContact CD1-CZ3 3.48Å; W85-Y88 HydrophobicContact CH2-CD1 4.05Å; W85-Y88 AromaticContact CZ2-CD1 3.92Å; W85-Y88 HydrophobicContact CZ2-CD1 3.92Å; W85-S89 WeakPolarHBondContact CA-O 3.36Å; W85-L358 HydrophobicContact CH2-CB 4.36Å; W85-L358 HydrophobicContact CZ2-CB 4.15Å; W85-D359 PolarHBondContact NE1-OD1 2.81Å; W85-F362 HydrophobicContact CB-CB 4.26Å; W85-F362 HydrophobicContact CB-CD1 4.44Å; W85-F362 HydrophobicContact CD2-CB 3.5Å; W85-F362 AromaticContact CD2-CD1 3.74Å; W85-F362 HydrophobicContact CD2-CD1 3.74Å; W85-F362 AromaticContact CD2-CG 3.72Å; W85-F362 HydrophobicContact CD2-CG 3.72Å; W85-F362 AromaticContact CE2-CG 3.97Å; W85-F362 HydrophobicContact CE3-CB 4.12Å; W85-F362 AromaticContact CE3-CD1 3.44Å; W85-F362 HydrophobicContact CE3-CD1 3.44Å; W85-F362 VanDerWaalsContact CE3-CD1 3.44Å; W85-F362 AromaticContact CE3-CE1 3.95Å; W85-F362 HydrophobicContact CE3-CE1 3.95Å; W85-F362 AromaticContact CE3-CG 3.79Å; W85-F362 HydrophobicContact CE3-CG 3.79Å; W85-F362 HydrophobicContact CG-CB 3.58Å; W85-F362 HydrophobicContact CG-CD1 4.21Å; W85-F362 HydrophobicContact CG-CG 4.22Å; W85-F362 HydrophobicContact CH2-CD2 4.24Å; W85-F362 HydrophobicContact CH2-CG 4.24Å; W85-F362 HydrophobicContact CZ2-CB 4.2Å; W85-F362 HydrophobicContact CZ2-CD2 4.37Å; W85-F362 HydrophobicContact CZ2-CG 4.23Å; W85-F362 AromaticContact CZ3-CD1 3.88Å; W85-F362 HydrophobicContact CZ3-CD1 3.88Å; W85-F362 HydrophobicContact CZ3-CD2 4.35Å; W85-F362 HydrophobicContact CZ3-CE1 4.04Å; W85-F362 HydrophobicContact CZ3-CE2 4.48Å; W85-F362 HydrophobicContact CZ3-CG 4.06Å; W85-F362 HydrophobicContact CZ3-CZ 4.35Å; W85-F365 HydrophobicContact CB-CB 3.86Å; W85-F365 HydrophobicContact CB-CD1 3.72Å; W85-F365 HydrophobicContact CB-CG 4.06Å; W85-N366 PolarHBondContact N-OD1 3.23Å
86E89.1Confident94.6Very high89 Ų8922.4 Ų22.442%0.41611%0.107SC..EExtended strand (participates in β ladder)trans-151.6133.4176.8-167-173.8-17600109.5P9 Y88 S89P9-E86 VanDerWaalsContact CD-OE2 3.23Å; P9-E86 WeakPolarHBondContact CD-OE2 3.16Å; E86-Y88 VanDerWaalsContact C-N 3.29Å; E86-Y88 PolarHBondContact O-N 3.44Å; E86-S89 PolarHBondContact N-O 2.94Å; E86-S89 VanDerWaalsContact N-O 3.1Å; E86-S89 WeakPolarHBondContact O-CB 3.21Å; E86-S89 PolarHBondContact O-N 3.2Å
87N85.4Confident94.3Very high121 Ų12122.9 Ų22.965%0.64711%0.112SC*.THydrogen-bonded Turntrans49.747.2176.6-59.2-44.7000112.9S89 P320N87-S89 PolarHBondContact O-N 3.15Å; N87-P320 WeakPolarHBondContact O-CG 3.3Å
88Y85.5Confident93.9Very high50 Ų5023.4 Ų23.420%0.19612%0.116CC..THydrogen-bonded Turntrans626.4-176-52.2-68.6000116.2W85 E86 E355 L358W85-Y88 HydrophobicContact CH2-CD1 4.05Å; W85-Y88 AromaticContact CZ2-CD1 3.92Å; W85-Y88 HydrophobicContact CZ2-CD1 3.92Å; E86-Y88 VanDerWaalsContact C-N 3.29Å; E86-Y88 PolarHBondContact O-N 3.44Å; Y88-E355 HydrophobicContact CE1-CB 4.15Å; Y88-E355 HydrophobicContact CE1-CG 3.95Å; Y88-E355 HydrophobicContact CE2-CG 4.39Å; Y88-E355 WeakPolarHBondContact OH-CB 3.38Å; Y88-E355 WeakPolarHBondContact OH-CG 3.31Å; Y88-E355 PolarHBondContact OH-OE2 3.17Å; Y88-L358 HydrophobicContact CD1-CD1 4.46Å
89S89.5Confident93.4Very high9 Ų923.4 Ų23.46%0.06312%0.118CC..EExtended strand (participates in β ladder)trans-91.9121.3172.5-161.20000109.4W85 E86 N87 F318W85-S89 WeakPolarHBondContact CA-O 3.36Å; E86-S89 PolarHBondContact N-O 2.94Å; E86-S89 VanDerWaalsContact N-O 3.1Å; E86-S89 WeakPolarHBondContact O-CB 3.21Å; E86-S89 PolarHBondContact O-N 3.2Å; N87-S89 PolarHBondContact O-N 3.15Å; S89-F318 WeakPolarHBondContact CB-O 3.34Å; S89-F318 PolarHBondContact OG-O 2.91Å
90S94Very high93.1Very high0 Ų022.8 Ų22.80%012%0.116CC..EExtended strand (participates in β ladder)trans-106132.7169.441.10000110.1F46 M84F46-S90 PolarHBondContact N-O 2.9Å; M84-S90 CarbonylContact O-C 3.48Å; M84-S90 VanDerWaalsContact O-CA 3.32Å; M84-S90 WeakPolarHBondContact O-CA 3.48Å
91A97Very high92.9Very high2 Ų223 Ų232%0.01712%0.117CC..EExtended strand (participates in β ladder)trans-147.4149.2175.800000113.1L43 K44 S83 M84L43-A91 HydrophobicContact CD1-CB 3.75Å; L43-A91 HydrophobicContact CG-CB 4.46Å; K44-A91 CarbonylContact O-C 3.55Å; K44-A91 VanDerWaalsContact O-CA 3.28Å; K44-A91 WeakPolarHBondContact O-CA 3.32Å; S83-A91 VanDerWaalsContact CA-O 3.29Å; S83-A91 WeakPolarHBondContact CA-O 3.16Å; M84-A91 PolarHBondContact N-O 3.21Å; M84-A91 PolarHBondContact O-N 3.18Å
92F97.8Very high92.8Very high0 Ų022.8 Ų22.80%012%0.115CC..EExtended strand (participates in β ladder)trans-107.3137.8166.6-54.8-30.3000109.9L43 K44 F46 V57 E60 R61 L64 L80 L94 F365L43-F92 CarbonylContact C-O 3.54Å; L43-F92 WeakPolarHBondContact CA-O 3.13Å; K44-F92 HydrophobicContact CB-CB 4.38Å; K44-F92 HydrophobicContact CD-CD2 4.41Å; K44-F92 PolarHBondContact N-O 3.32Å; K44-F92 PolarHBondContact O-N 2.94Å; F46-F92 HydrophobicContact CE1-CE2 4.43Å; F46-F92 HydrophobicContact CE2-CD1 4.08Å; F46-F92 AromaticContact CE2-CD2 3.44Å; F46-F92 HydrophobicContact CE2-CD2 3.44Å; F46-F92 VanDerWaalsContact CE2-CD2 3.44Å; F46-F92 AromaticContact CE2-CE1 4Å; F46-F92 HydrophobicContact CE2-CE1 4Å; F46-F92 AromaticContact CE2-CE2 3.33Å; F46-F92 HydrophobicContact CE2-CE2 3.33Å; F46-F92 AromaticContact CE2-CG 3.8Å; F46-F92 HydrophobicContact CE2-CG 3.8Å; F46-F92 AromaticContact CE2-CZ 3.6Å; F46-F92 HydrophobicContact CE2-CZ 3.6Å; F46-F92 AromaticContact CZ-CD2 3.46Å; F46-F92 HydrophobicContact CZ-CD2 3.46Å; F46-F92 VanDerWaalsContact CZ-CD2 3.46Å; F46-F92 AromaticContact CZ-CE2 3.2Å; F46-F92 HydrophobicContact CZ-CE2 3.2Å; F46-F92 HydrophobicContact CZ-CG 4.28Å; F46-F92 AromaticContact CZ-CZ 3.85Å; F46-F92 HydrophobicContact CZ-CZ 3.85Å; V57-F92 HydrophobicContact CG1-CZ 4.39Å; E60-F92 HydrophobicContact CB-CE2 3.92Å; E60-F92 HydrophobicContact CB-CZ 4.3Å; E60-F92 HydrophobicContact CG-CE2 3.77Å; R61-F92 HydrophobicContact CB-CE1 3.72Å; R61-F92 HydrophobicContact CB-CZ 3.62Å; R61-F92 HydrophobicContact CG-CE1 4.17Å; L64-F92 HydrophobicContact CD1-CD2 3.61Å; L64-F92 HydrophobicContact CD1-CE2 3.73Å; L64-F92 HydrophobicContact CD1-CG 4.26Å; L64-F92 HydrophobicContact CD1-CZ 4.44Å; L80-F92 HydrophobicContact CD1-CB 3.82Å; L80-F92 HydrophobicContact CD1-CD1 4.15Å; L80-F92 HydrophobicContact CD1-CG 4.08Å; F92-L94 HydrophobicContact CB-CD2 4.09Å; F92-L94 HydrophobicContact CB-CG 4.09Å; F92-F365 HydrophobicContact CD1-CE1 4.34Å; F92-F365 AromaticContact CD1-CZ 3.97Å; F92-F365 HydrophobicContact CD1-CZ 3.97Å; F92-F365 AromaticContact CE1-CE1 3.99Å; F92-F365 HydrophobicContact CE1-CE1 3.99Å; F92-F365 AromaticContact CE1-CE2 3.76Å; F92-F365 HydrophobicContact CE1-CE2 3.76Å; F92-F365 AromaticContact CE1-CZ 3.24Å; F92-F365 HydrophobicContact CE1-CZ 3.24Å; F92-F365 HydrophobicContact CZ-CE2 4.31Å; F92-F365 HydrophobicContact CZ-CZ 4.05Å
93V97.7Very high92.6Very high0 Ų022.3 Ų22.30%011%0.113CC..EExtended strand (participates in β ladder)trans-104.6111.4165.5-177.50000106.7F12 I29 Y41 L43 C81 Y82 M84F12-V93 HydrophobicContact CE1-CG1 4.08Å; F12-V93 HydrophobicContact CE1-CG2 4.34Å; F12-V93 HydrophobicContact CE2-CG2 4.44Å; F12-V93 HydrophobicContact CZ-CG1 4.37Å; F12-V93 HydrophobicContact CZ-CG2 4.04Å; I29-V93 HydrophobicContact CD1-CB 4.38Å; I29-V93 HydrophobicContact CD1-CG1 3.76Å; I29-V93 HydrophobicContact CD1-CG2 3.83Å; Y41-V93 VanDerWaalsContact CB-CG1 3.42Å; Y41-V93 HydrophobicContact CD1-CG1 4.03Å; Y41-V93 HydrophobicContact CD2-CG1 4.03Å; Y41-V93 HydrophobicContact CG-CG1 3.56Å; L43-V93 HydrophobicContact CD1-CG2 3.88Å; C81-V93 HydrophobicContact CB-CG1 4.45Å; C81-V93 WeakPolarHBondContact CB-O 3.42Å; C81-V93 PolarHBondContact N-O 3Å; Y82-V93 HydrophobicContact CD2-CB 3.91Å; Y82-V93 HydrophobicContact CD2-CG1 3.84Å; Y82-V93 HydrophobicContact CD2-CG2 4.43Å; Y82-V93 HydrophobicContact CG-CB 4.38Å; Y82-V93 PolarHBondContact N-O 2.69Å; Y82-V93 VanDerWaalsContact N-O 3.16Å; Y82-V93 PolarHBondContact O-N 3.04Å; M84-V93 HydrophobicContact CE-CG2 3.37Å
94L97.5Very high92.3Very high21 Ų2122.5 Ų22.511%0.1111%0.114CC..EExtended strand (participates in β ladder)trans-110.8153-175.5-57.5173.2000109.6Y41 A42 K44 L64 M79 L80 F92 E96Y41-L94 WeakPolarHBondContact CB-O 3.13Å; A42-L94 PolarHBondContact N-O 3.36Å; A42-L94 PolarHBondContact O-N 3.42Å; K44-L94 HydrophobicContact CB-CD1 4.46Å; L64-L94 HydrophobicContact CD1-CD2 4.08Å; L64-L94 HydrophobicContact CD2-CD2 4.41Å; M79-L94 WeakPolarHBondContact O-CA 3.21Å; L80-L94 HydrophobicContact CB-CD2 4.26Å; L80-L94 HydrophobicContact CD1-CD2 3.83Å; F92-L94 HydrophobicContact CB-CD2 4.09Å; F92-L94 HydrophobicContact CB-CG 4.09Å; L94-E96 PolarHBondContact O-N 3.03Å
95R94.9Very high92.2Very high58 Ų5822.3 Ų22.322%0.21911%0.113CC..EExtended strand (participates in β ladder)trans-50.4134.5166.6-178179.9-69.3-158.7-4.7110.2M79 Y149M79-R95 HydrophobicContact CB-CB 4.1Å; M79-R95 VanDerWaalsContact CE-NH2 3.25Å; M79-R95 PolarHBondContact O-N 3.26Å; M79-R95 PolarHBondContact SD-NH2 3.39Å; R95-Y149 HydrophobicContact CG-CE1 4.24Å
96E90.6Very high92.1Very high42 Ų4221.2 Ų21.220%0.19611%0.109CC..  trans-67.6135.9-177-155.2-160.6159.900111.8K40 L94 Y149K40-E96 WeakPolarHBondContact CB-OE2 3.47Å; L94-E96 PolarHBondContact O-N 3.03Å; E96-Y149 WeakPolarHBondContact O-CD1 3.38Å; E96-Y149 WeakPolarHBondContact O-CE1 3.19Å
97G92.2Very high92.1Very high11 Ų1117.3 Ų17.311%0.1139%0.091CC..  trans-100.5179.1161.400000110.4G99 F148G97-G99 PolarHBondContact O-N 3.32Å; G97-G99 VanDerWaalsContact O-N 3.14Å; G97-F148 CarbonylContact C-O 3.47Å; G97-F148 VanDerWaalsContact CA-O 3.3Å; G97-F148 WeakPolarHBondContact CA-O 3.42Å
98S89.9Confident92.3Very high16 Ų1615.8 Ų15.811%0.1128%0.08CC..  trans-68.6-11.317868.90000114.1C100 F148 H296S98-C100 VanDerWaalsContact C-N 3.3Å; S98-C100 PolarHBondContact OG-N 3.48Å; S98-F148 PolarHBondContact N-O 3.31Å; S98-F148 WeakPolarHBondContact OG-CB 3.47Å; S98-F148 PolarHBondContact OG-O 2.79Å; S98-H296 PolarHBondContact O-CE1 3.02Å; S98-H296 VanDerWaalsContact O-CE1 3.26Å
99G86.7Confident92.6Very high12 Ų1216 Ų1612%0.1249%0.087CC..SBendtrans82.71.5-17300000114.3G97 K300G97-G99 PolarHBondContact O-N 3.32Å; G97-G99 VanDerWaalsContact O-N 3.14Å; G99-K300 PolarHBondContact O-NZ 3.15Å
100C90.5Very high92.7Very high3 Ų315.8 Ų15.82%0.029%0.086CC..  trans-104.2150.9171.1-68.30000111.3S98 F148 L294 H296S98-C100 VanDerWaalsContact C-N 3.3Å; S98-C100 PolarHBondContact OG-N 3.48Å; C100-F148 HydrophobicContact CB-CD2 4.45Å; C100-F148 PolarHBondContact O-N 3.17Å; C100-L294 HydrophobicContact CB-CB 4.48Å; C100-L294 HydrophobicContact CB-CD1 4.21Å; C100-H296 PolarHBondContact SG-ND1 2.97Å; C100-H296 VanDerWaalsContact SG-ND1 3.44Å
101D92.9Very high92.7Very high5 Ų518.4 Ų18.43%0.02710%0.104CC..BIsolated β-bridgetrans-117168.7174.46339.2000111.9Y103 D104 L105 I146 L147 R427D101-Y103 PolarHBondContact O-N 2.81Å; D101-Y103 WeakPolarHBondContact OD1-CA 3.37Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.43Å; D101-Y103 PolarHBondContact OD1-N 2.99Å; D101-Y103 VanDerWaalsContact OD1-N 3.07Å; D101-D104 PolarHBondContact N-OD2 2.88Å; D101-D104 VanDerWaalsContact N-OD2 3.11Å; D101-D104 WeakPolarHBondContact O-CB 3.36Å; D101-D104 PolarHBondContact O-N 2.81Å; D101-D104 VanDerWaalsContact O-N 3.1Å; D101-D104 VanDerWaalsContact OD1-CG 3.29Å; D101-D104 PolarHBondContact OD1-N 2.92Å; D101-L105 PolarHBondContact O-N 2.7Å; D101-I146 CarbonylContact C-O 3.57Å; D101-I146 VanDerWaalsContact CA-O 3.31Å; D101-I146 WeakPolarHBondContact CA-O 3.44Å; D101-L147 HydrophobicContact CB-CD2 3.6Å; D101-R427 IonicContact OD2-CZ 3.75Å; D101-R427 IonicContact OD2-NH2 2.79Å; D101-R427 PolarHBondContact OD2-NH2 3.22Å
102L95.2Very high92.7Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-62.8-26.5178.5-176.363.3000111.9L105 L106 Y120 P143 I146 F148 L205 M209L102-L105 HydrophobicContact CD1-CB 4.49Å; L102-L105 HydrophobicContact CD1-CD2 3.92Å; L102-L105 PolarHBondContact O-N 3.39Å; L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.82Å; L102-Y120 HydrophobicContact CD1-CD2 4.32Å; L102-Y120 HydrophobicContact CD1-CG 4.48Å; L102-P143 HydrophobicContact CB-CB 4.27Å; L102-P143 WeakPolarHBondContact CB-O 3.38Å; L102-P143 HydrophobicContact CG-CB 4.39Å; L102-P143 PolarHBondContact N-O 3.31Å; L102-I146 HydrophobicContact CB-CB 3.82Å; L102-I146 HydrophobicContact CB-CG2 4.11Å; L102-I146 HydrophobicContact CD2-CB 4.12Å; L102-I146 HydrophobicContact CD2-CG1 4.27Å; L102-I146 HydrophobicContact CD2-CG2 4.16Å; L102-I146 PolarHBondContact N-O 3.48Å; L102-F148 HydrophobicContact CB-CE2 4.41Å; L102-F148 HydrophobicContact CD1-CZ 4.3Å; L102-L205 HydrophobicContact CD2-CD1 3.93Å; L102-M209 HydrophobicContact CD1-CE 4.34Å; L102-M209 HydrophobicContact CD2-CE 4.11Å; L102-M209 HydrophobicContact CD2-CG 4.28Å; L102-M209 HydrophobicContact CD2-SD 3.89Å
103Y92.6Very high92.7Very high2 Ų221.6 Ų21.61%0.00813%0.125CC..Hα-helixtrans-66-42.1172.6-174.8-117.2000111.8D101 L105 L106 C107 P143 E144 R297 F423 R425D101-Y103 PolarHBondContact O-N 2.81Å; D101-Y103 WeakPolarHBondContact OD1-CA 3.37Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.43Å; D101-Y103 PolarHBondContact OD1-N 2.99Å; D101-Y103 VanDerWaalsContact OD1-N 3.07Å; Y103-L105 VanDerWaalsContact C-N 3.32Å; Y103-L105 PolarHBondContact O-N 3.31Å; Y103-L106 PolarHBondContact O-N 2.93Å; Y103-C107 VanDerWaalsContact CZ-SG 3.54Å; Y103-C107 VanDerWaalsContact O-CB 3.3Å; Y103-C107 WeakPolarHBondContact O-CB 3.26Å; Y103-C107 PolarHBondContact O-N 3.23Å; Y103-C107 PolarHBondContact O-SG 3.39Å; Y103-P143 HydrophobicContact CD2-CB 4.39Å; Y103-P143 PolarHBondContact N-O 2.95Å; Y103-E144 HydrophobicContact CD1-CG 4.12Å; Y103-E144 HydrophobicContact CG-CG 4.02Å; Y103-R297 PolarHBondContact OH-NH1 3.41Å; Y103-F423 HydrophobicContact CE2-CB 4.45Å; Y103-F423 VanDerWaalsContact CE2-O 3.26Å; Y103-F423 WeakPolarHBondContact CE2-O 3.18Å; Y103-F423 VanDerWaalsContact CZ-O 3.32Å; Y103-F423 PolarHBondContact OH-O 2.99Å; Y103-R425 HydrophobicContact CE2-CG 4.05Å; Y103-R425 PolarHBondContact OH-N 3.18Å; Y103-R425 VanDerWaalsContact OH-N 3.08Å; Y103-R425 PolarHBondContact OH-O 2.89Å
104D90.3Very high92.8Very high4 Ų423.6 Ų23.62%0.02114%0.135CC..Hα-helixtrans-57.8-44.3174.2-66.5-41.3000110.6D101 C107 H108 R297 R427D101-D104 PolarHBondContact N-OD2 2.88Å; D101-D104 VanDerWaalsContact N-OD2 3.11Å; D101-D104 WeakPolarHBondContact O-CB 3.36Å; D101-D104 PolarHBondContact O-N 2.81Å; D101-D104 VanDerWaalsContact O-N 3.1Å; D101-D104 VanDerWaalsContact OD1-CG 3.29Å; D101-D104 PolarHBondContact OD1-N 2.92Å; D104-C107 PolarHBondContact O-N 3.05Å; D104-H108 WeakPolarHBondContact O-CB 2.92Å; D104-H108 PolarHBondContact O-N 3.28Å; D104-R297 VanDerWaalsContact OD1-CD 3.29Å; D104-R297 WeakPolarHBondContact OD1-CD 3.37Å; D104-R297 WeakPolarHBondContact OD1-CG 3.35Å; D104-R427 IonicContact OD1-NH2 2.73Å
105L92.8Very high92.8Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-57.8-55.2173.4173.762.3000111.2D101 L102 Y103 C107 H108 V109 L112 Y120 F148 Y289 L294D101-L105 PolarHBondContact O-N 2.7Å; L102-L105 HydrophobicContact CD1-CB 4.49Å; L102-L105 HydrophobicContact CD1-CD2 3.92Å; L102-L105 PolarHBondContact O-N 3.39Å; Y103-L105 VanDerWaalsContact C-N 3.32Å; Y103-L105 PolarHBondContact O-N 3.31Å; L105-C107 PolarHBondContact O-N 2.75Å; L105-C107 VanDerWaalsContact O-N 3.17Å; L105-H108 WeakPolarHBondContact O-CA 3.37Å; L105-H108 WeakPolarHBondContact O-CB 3.48Å; L105-H108 PolarHBondContact O-N 3.3Å; L105-V109 HydrophobicContact CD1-CB 4.36Å; L105-V109 HydrophobicContact CD1-CG1 3.71Å; L105-V109 HydrophobicContact CD1-CG2 3.68Å; L105-V109 HydrophobicContact CG-CG2 4.08Å; L105-V109 WeakPolarHBondContact O-CG2 3.22Å; L105-V109 PolarHBondContact O-N 3.01Å; L105-L112 HydrophobicContact CD2-CD1 4.1Å; L105-L112 HydrophobicContact CD2-CD2 4.16Å; L105-L112 HydrophobicContact CG-CD2 4.31Å; L105-Y120 HydrophobicContact CD2-CE2 3.68Å; L105-F148 HydrophobicContact CB-CE2 4.23Å; L105-F148 HydrophobicContact CB-CZ 4.25Å; L105-F148 HydrophobicContact CD2-CZ 3.9Å; L105-Y289 HydrophobicContact CD1-CD1 4.22Å; L105-Y289 HydrophobicContact CD1-CD2 3.88Å; L105-Y289 HydrophobicContact CD1-CE1 4.48Å; L105-Y289 HydrophobicContact CD1-CE2 4.15Å; L105-Y289 HydrophobicContact CD1-CG 3.91Å; L105-Y289 HydrophobicContact CD2-CD2 3.78Å; L105-Y289 HydrophobicContact CD2-CE2 4.07Å; L105-Y289 HydrophobicContact CD2-CG 4.5Å; L105-L294 HydrophobicContact CB-CD2 3.88Å; L105-L294 HydrophobicContact CD1-CD2 3.45Å; L105-L294 VanDerWaalsContact CD1-CD2 3.45Å; L105-L294 HydrophobicContact CG-CD2 4.23Å
106L92.9Very high92.9Very high0 Ų026.8 Ų26.80%016%0.156CC..Hα-helixtrans-59-31.6-178.5-68175.1000112.6L102 Y103 G110 L112 P143 M209 F423L102-L106 VanDerWaalsContact O-CG 3.32Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.82Å; Y103-L106 PolarHBondContact O-N 2.93Å; L106-G110 WeakPolarHBondContact CD2-O 3.33Å; L106-G110 WeakPolarHBondContact O-CA 3.18Å; L106-G110 PolarHBondContact O-N 2.95Å; L106-L112 HydrophobicContact CD2-CD1 4.18Å; L106-L112 HydrophobicContact CD2-CD2 4.34Å; L106-L112 HydrophobicContact CD2-CG 3.79Å; L106-P143 HydrophobicContact CD1-CB 4.11Å; L106-P143 HydrophobicContact CD1-CG 4.01Å; L106-M209 HydrophobicContact CD1-CG 4.25Å; L106-M209 HydrophobicContact CD2-CB 4.3Å; L106-M209 HydrophobicContact CD2-CG 4.28Å; L106-F423 HydrophobicContact CB-CD1 3.82Å; L106-F423 HydrophobicContact CB-CD2 4.41Å; L106-F423 HydrophobicContact CB-CE1 3.93Å; L106-F423 HydrophobicContact CB-CG 4.07Å; L106-F423 HydrophobicContact CB-CZ 4.3Å; L106-F423 HydrophobicContact CD1-CD1 4.17Å; L106-F423 HydrophobicContact CD1-CE1 3.89Å; L106-F423 HydrophobicContact CD2-CE1 4.19Å; L106-F423 HydrophobicContact CD2-CZ 4.19Å; L106-F423 HydrophobicContact CG-CE1 4.22Å; L106-F423 VanDerWaalsContact O-CD2 3.29Å; L106-F423 WeakPolarHBondContact O-CD2 3.29Å
107C88.9Confident93.3Very high7 Ų724.8 Ų24.85%0.04715%0.147CC..Hα-helixtrans-77.2-25.6176.8-70.30000113.8Y103 D104 L105 R297 P420Y103-C107 VanDerWaalsContact CZ-SG 3.54Å; Y103-C107 VanDerWaalsContact O-CB 3.3Å; Y103-C107 WeakPolarHBondContact O-CB 3.26Å; Y103-C107 PolarHBondContact O-N 3.23Å; Y103-C107 PolarHBondContact O-SG 3.39Å; D104-C107 PolarHBondContact O-N 3.05Å; L105-C107 PolarHBondContact O-N 2.75Å; L105-C107 VanDerWaalsContact O-N 3.17Å; C107-R297 PolarHBondContact SG-NH1 3.11Å; C107-R297 VanDerWaalsContact SG-NH1 3.38Å; C107-R297 PolarHBondContact SG-NH2 3.21Å; C107-P420 WeakPolarHBondContact O-CD 3.29Å
108H88.4Confident93.6Very high89 Ų8926.3 Ų26.341%0.41215%0.149SC..Hα-helixtrans-81.4-53.8175.6-172.970000111.4D104 L105 E293D104-H108 WeakPolarHBondContact O-CB 2.92Å; D104-H108 PolarHBondContact O-N 3.28Å; L105-H108 WeakPolarHBondContact O-CA 3.37Å; L105-H108 WeakPolarHBondContact O-CB 3.48Å; L105-H108 PolarHBondContact O-N 3.3Å; H108-E293 PolarHBondContact NE2-O 3.28Å
109V91.5Very high94Very high55 Ų5526.5 Ų26.533%0.33315%0.148SC..Hα-helixtrans-97.2-19.9-172.2-52.50000114L105 L112 Y289L105-V109 HydrophobicContact CD1-CB 4.36Å; L105-V109 HydrophobicContact CD1-CG1 3.71Å; L105-V109 HydrophobicContact CD1-CG2 3.68Å; L105-V109 HydrophobicContact CG-CG2 4.08Å; L105-V109 WeakPolarHBondContact O-CG2 3.22Å; L105-V109 PolarHBondContact O-N 3.01Å; V109-L112 HydrophobicContact CG2-CD2 3.4Å; V109-L112 VanDerWaalsContact CG2-CD2 3.4Å; V109-Y289 HydrophobicContact CG1-CD1 4.5Å; V109-Y289 HydrophobicContact CG1-CE1 4.05Å
110G91.8Very high94.5Very high5 Ų526 Ų265%0.05214%0.142CC..  trans86.2-148.3-171.500000112.4L106 P420L106-G110 WeakPolarHBondContact CD2-O 3.33Å; L106-G110 WeakPolarHBondContact O-CA 3.18Å; L106-G110 PolarHBondContact O-N 2.95Å; G110-P420 VanDerWaalsContact CA-CG 3.45Å
111C95.2Very high94.9Very high55 Ų5525.8 Ų25.837%0.37214%0.141SC..SBendtrans-66139.4178.1-63.20000110.5M209C111-M209 CarbonylContact C-O 3.32Å; C111-M209 VanDerWaalsContact CA-O 3.28Å; C111-M209 WeakPolarHBondContact CA-O 3.04Å
112L97.2Very high95.2Very high9 Ų925.6 Ų25.65%0.04714%0.14CC..PPolyproline II helixtrans-83.9153.6174.9-54.7-173.7000111L105 L106 V109 N116 T117 Y120 M209 Y289L105-L112 HydrophobicContact CD2-CD1 4.1Å; L105-L112 HydrophobicContact CD2-CD2 4.16Å; L105-L112 HydrophobicContact CG-CD2 4.31Å; L106-L112 HydrophobicContact CD2-CD1 4.18Å; L106-L112 HydrophobicContact CD2-CD2 4.34Å; L106-L112 HydrophobicContact CD2-CG 3.79Å; V109-L112 HydrophobicContact CG2-CD2 3.4Å; V109-L112 VanDerWaalsContact CG2-CD2 3.4Å; L112-N116 HydrophobicContact CB-CB 4.33Å; L112-T117 WeakPolarHBondContact CB-OG1 3.11Å; L112-Y120 HydrophobicContact CD1-CD2 4.01Å; L112-Y120 HydrophobicContact CD1-CE2 4.2Å; L112-M209 HydrophobicContact CD1-CB 4.44Å; L112-M209 HydrophobicContact CD1-CE 3.71Å; L112-M209 PolarHBondContact N-O 3.47Å; L112-Y289 HydrophobicContact CD2-CE2 3.79Å
113S97.5Very high95.4Very high59 Ų5925.6 Ų25.641%0.41314%0.14SC..PPolyproline II helixtrans-65.7154.5167.273.40000110.3N115 N116 T117S113-N115 PolarHBondContact O-N 2.95Å; S113-N115 VanDerWaalsContact O-N 3.11Å; S113-N116 PolarHBondContact O-N 2.78Å; S113-N116 VanDerWaalsContact O-N 3.12Å; S113-N116 VanDerWaalsContact OG-CG 3.31Å; S113-N116 PolarHBondContact OG-N 2.74Å; S113-N116 VanDerWaalsContact OG-N 3.11Å; S113-N116 PolarHBondContact OG-OD1 2.69Å; S113-T117 PolarHBondContact O-N 3.26Å; S113-T117 PolarHBondContact O-OG1 3.34Å
114E98.2Very high95.7Very high43 Ų4325.5 Ų25.520%0.20114%0.14CC..Hα-helixtrans-54.9-32.1175-67-163.4-161.700112.7R118 S242 L245 F271E114-R118 WeakPolarHBondContact O-CB 3.45Å; E114-R118 PolarHBondContact O-N 2.83Å; E114-S242 WeakPolarHBondContact OE1-CB 3.11Å; E114-S242 PolarHBondContact OE1-N 2.97Å; E114-S242 PolarHBondContact OE1-OG 2.92Å; E114-S242 WeakPolarHBondContact OE2-CB 3.42Å; E114-S242 PolarHBondContact OE2-OG 3.27Å; E114-L245 HydrophobicContact CG-CD2 3.7Å; E114-F271 HydrophobicContact CB-CE2 4.13Å
115N97.9Very high96.1Very high103 Ų10325.3 Ų25.355%0.55114%0.139SC*.Hα-helixtrans-71.8-45.1177.6-71.7-9.1000112.4S113 T117 R118 F119S113-N115 PolarHBondContact O-N 2.95Å; S113-N115 VanDerWaalsContact O-N 3.11Å; N115-T117 VanDerWaalsContact C-N 3.33Å; N115-R118 WeakPolarHBondContact O-CB 3.41Å; N115-R118 PolarHBondContact O-N 2.9Å; N115-R118 PolarHBondContact OD1-NH1 2.69Å; N115-R118 PolarHBondContact OD1-NH2 3.17Å; N115-F119 PolarHBondContact O-N 3.4Å
116N97.7Very high96.3Very high42 Ų4226 Ų2623%0.22514%0.143CC..Hα-helixtrans-68.5-36.4178-66.42.8000110.7L112 S113 F119 Y120 P288 Y289L112-N116 HydrophobicContact CB-CB 4.33Å; S113-N116 PolarHBondContact O-N 2.78Å; S113-N116 VanDerWaalsContact O-N 3.12Å; S113-N116 VanDerWaalsContact OG-CG 3.31Å; S113-N116 PolarHBondContact OG-N 2.74Å; S113-N116 VanDerWaalsContact OG-N 3.11Å; S113-N116 PolarHBondContact OG-OD1 2.69Å; N116-F119 PolarHBondContact O-N 2.69Å; N116-Y120 VanDerWaalsContact O-CD2 3.32Å; N116-Y120 WeakPolarHBondContact O-CD2 3.46Å; N116-Y120 PolarHBondContact O-N 3.1Å; N116-P288 HydrophobicContact CB-CB 4.21Å; N116-P288 HydrophobicContact CB-CG 4.19Å; N116-Y289 HydrophobicContact CB-CE2 4.19Å; N116-Y289 WeakPolarHBondContact ND2-CE2 3.26Å; N116-Y289 PolarHBondContact ND2-OH 3.46Å; N116-Y289 VanDerWaalsContact ND2-OH 3.15Å
117T98.5Very high96.6Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-61.7-42.9172.2-64.90000111.8L112 S113 N115 F119 Y120 I121 V206 M209 V210 F271L112-T117 WeakPolarHBondContact CB-OG1 3.11Å; S113-T117 PolarHBondContact O-N 3.26Å; S113-T117 PolarHBondContact O-OG1 3.34Å; N115-T117 VanDerWaalsContact C-N 3.33Å; T117-F119 VanDerWaalsContact C-N 3.3Å; T117-F119 PolarHBondContact O-N 2.74Å; T117-Y120 PolarHBondContact O-N 3.27Å; T117-I121 HydrophobicContact CG2-CG1 3.89Å; T117-I121 WeakPolarHBondContact O-CB 3.39Å; T117-I121 WeakPolarHBondContact O-CG1 3.3Å; T117-I121 PolarHBondContact O-N 2.67Å; T117-V206 HydrophobicContact CG2-CG1 3.98Å; T117-M209 HydrophobicContact CG2-CB 4.14Å; T117-M209 HydrophobicContact CG2-CE 3.81Å; T117-M209 HydrophobicContact CG2-SD 4.03Å; T117-V210 HydrophobicContact CG2-CG1 4.01Å; T117-V210 VanDerWaalsContact OG1-CG1 3.29Å; T117-V210 WeakPolarHBondContact OG1-CG1 3.41Å; T117-F271 HydrophobicContact CG2-CZ 4.34Å
118R98.4Very high97.1Very high43 Ų4325.6 Ų25.616%0.16214%0.141CC..Hα-helixtrans-58.1-41.3178.7-173.3-177.5-53.3101.311.5112.6E114 N115 A122 F271 L272 V275E114-R118 WeakPolarHBondContact O-CB 3.45Å; E114-R118 PolarHBondContact O-N 2.83Å; N115-R118 WeakPolarHBondContact O-CB 3.41Å; N115-R118 PolarHBondContact O-N 2.9Å; N115-R118 PolarHBondContact OD1-NH1 2.69Å; N115-R118 PolarHBondContact OD1-NH2 3.17Å; R118-A122 WeakPolarHBondContact O-CB 3.46Å; R118-A122 PolarHBondContact O-N 3.25Å; R118-F271 HydrophobicContact CB-CE1 4.42Å; R118-F271 HydrophobicContact CB-CZ 4.14Å; R118-F271 WeakPolarHBondContact CD-O 3.46Å; R118-F271 PolarHBondContact NE-O 3.44Å; R118-L272 HydrophobicContact CG-CD2 3.97Å; R118-V275 HydrophobicContact CG-CG2 3.64Å
119F98.3Very high97.5Very high21 Ų2124.8 Ų24.89%0.09214%0.137CC..Hα-helixtrans-56.9-59.7176.5171.2-88.6000111.2N115 N116 T117 I121 A122 E123 H153 L285 R286 P287 P288N115-F119 PolarHBondContact O-N 3.4Å; N116-F119 PolarHBondContact O-N 2.69Å; T117-F119 VanDerWaalsContact C-N 3.3Å; T117-F119 PolarHBondContact O-N 2.74Å; F119-I121 VanDerWaalsContact C-N 3.3Å; F119-I121 PolarHBondContact O-N 3.07Å; F119-A122 WeakPolarHBondContact O-CB 3.2Å; F119-A122 PolarHBondContact O-N 3.35Å; F119-A122 VanDerWaalsContact O-N 3.15Å; F119-E123 VanDerWaalsContact CZ-OE1 3.25Å; F119-E123 WeakPolarHBondContact CZ-OE1 3.35Å; F119-E123 PolarHBondContact O-N 2.93Å; F119-H153 AromaticContact CZ-ND1 3.89Å; F119-L285 HydrophobicContact CD2-CB 3.9Å; F119-L285 HydrophobicContact CD2-CD1 4.4Å; F119-L285 HydrophobicContact CE2-CB 3.55Å; F119-R286 WeakPolarHBondContact CE2-O 3.41Å; F119-P287 HydrophobicContact CE1-CB 4.19Å; F119-P287 VanDerWaalsContact CZ-CA 3.47Å; F119-P287 HydrophobicContact CZ-CB 3.91Å; F119-P287 HydrophobicContact CZ-CG 3.85Å; F119-P288 HydrophobicContact CB-CG 4.43Å; F119-P288 HydrophobicContact CD1-CG 3.95Å; F119-P288 HydrophobicContact CG-CG 4.26Å
120Y98.6Very high97.9Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-64-37.1-175.7-69-57.6000112.4L102 L105 L112 N116 T117 A122 E123 V124 F148 V154 M209 P288 Y289L102-Y120 HydrophobicContact CD1-CD2 4.32Å; L102-Y120 HydrophobicContact CD1-CG 4.48Å; L105-Y120 HydrophobicContact CD2-CE2 3.68Å; L112-Y120 HydrophobicContact CD1-CD2 4.01Å; L112-Y120 HydrophobicContact CD1-CE2 4.2Å; N116-Y120 VanDerWaalsContact O-CD2 3.32Å; N116-Y120 WeakPolarHBondContact O-CD2 3.46Å; N116-Y120 PolarHBondContact O-N 3.1Å; T117-Y120 PolarHBondContact O-N 3.27Å; Y120-A122 VanDerWaalsContact C-N 3.33Å; Y120-A122 PolarHBondContact O-N 2.85Å; Y120-E123 PolarHBondContact O-N 3Å; Y120-V124 WeakPolarHBondContact O-CG2 3.47Å; Y120-V124 PolarHBondContact O-N 2.89Å; Y120-F148 HydrophobicContact CD1-CE1 4.43Å; Y120-F148 AromaticContact CE1-CE1 3.48Å; Y120-F148 HydrophobicContact CE1-CE1 3.48Å; Y120-F148 VanDerWaalsContact CE1-CE1 3.48Å; Y120-F148 AromaticContact CE1-CZ 3.89Å; Y120-F148 HydrophobicContact CE1-CZ 3.89Å; Y120-F148 AromaticContact CZ-CE1 3.74Å; Y120-F148 AromaticContact CZ-CZ 3.94Å; Y120-V154 HydrophobicContact CD1-CB 4.45Å; Y120-V154 HydrophobicContact CD1-CG1 3.55Å; Y120-V154 HydrophobicContact CD1-CG2 4.04Å; Y120-V154 HydrophobicContact CE1-CG1 3.75Å; Y120-M209 HydrophobicContact CD2-CE 4.14Å; Y120-M209 HydrophobicContact CG-CE 4.43Å; Y120-P288 HydrophobicContact CD2-CG 4.48Å; Y120-P288 HydrophobicContact CE2-CG 3.68Å; Y120-Y289 AromaticContact CE2-CD2 3.98Å; Y120-Y289 HydrophobicContact CE2-CD2 3.98Å; Y120-Y289 HydrophobicContact CE2-CE2 4.35Å; Y120-Y289 WeakPolarHBondContact OH-CD2 3.41Å
121I98.6Very high98.2Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-69.5-31.1179.2-66.3-61000112T117 F119 E123 I125 L202 L205 V206 M209T117-I121 HydrophobicContact CG2-CG1 3.89Å; T117-I121 WeakPolarHBondContact O-CB 3.39Å; T117-I121 WeakPolarHBondContact O-CG1 3.3Å; T117-I121 PolarHBondContact O-N 2.67Å; F119-I121 VanDerWaalsContact C-N 3.3Å; F119-I121 PolarHBondContact O-N 3.07Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-I125 HydrophobicContact CG2-CD1 3.8Å; I121-I125 HydrophobicContact CG2-CG1 4.36Å; I121-I125 WeakPolarHBondContact O-CB 3.47Å; I121-I125 WeakPolarHBondContact O-CD1 3.39Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 3.11Å; I121-L202 HydrophobicContact CD1-CD1 4.04Å; I121-L202 HydrophobicContact CG2-CD1 4.2Å; I121-L205 HydrophobicContact CD1-CD2 3.79Å; I121-L205 HydrophobicContact CD1-CG 4Å; I121-V206 HydrophobicContact CB-CG2 4.43Å; I121-V206 HydrophobicContact CD1-CG2 3.6Å; I121-V206 HydrophobicContact CG1-CG2 3.61Å; I121-V206 HydrophobicContact CG2-CG2 4.03Å; I121-M209 HydrophobicContact CD1-CE 4.44Å; I121-M209 HydrophobicContact CD1-SD 3.71Å; I121-M209 HydrophobicContact CG1-CE 4.24Å; I121-M209 HydrophobicContact CG1-SD 4.01Å
122A98.7Very high98.3Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-60.9-43.6171.800000111.5R118 F119 Y120 I125 C126 V275 W277 A280R118-A122 WeakPolarHBondContact O-CB 3.46Å; R118-A122 PolarHBondContact O-N 3.25Å; F119-A122 WeakPolarHBondContact O-CB 3.2Å; F119-A122 PolarHBondContact O-N 3.35Å; F119-A122 VanDerWaalsContact O-N 3.15Å; Y120-A122 VanDerWaalsContact C-N 3.33Å; Y120-A122 PolarHBondContact O-N 2.85Å; A122-I125 WeakPolarHBondContact O-CB 3.2Å; A122-I125 PolarHBondContact O-N 2.79Å; A122-C126 PolarHBondContact O-N 3.18Å; A122-C126 PolarHBondContact O-SG 3.16Å; A122-C126 VanDerWaalsContact O-SG 3.36Å; A122-V275 HydrophobicContact CB-CG1 3.64Å; A122-V275 HydrophobicContact CB-CG2 4.19Å; A122-W277 HydrophobicContact CB-CH2 4.27Å; A122-W277 HydrophobicContact CB-CZ3 4.06Å; A122-A280 HydrophobicContact CB-CB 4.25Å
123E98.6Very high98.3Very high1 Ų125.5 Ų25.51%0.00514%0.139CC..Hα-helixtrans-69.1-42.1178.9-60.9-164.7152.700112.6F76 F119 Y120 I121 I125 C126 G127 H153 V154F76-E123 HydrophobicContact CD1-CB 3.73Å; F76-E123 HydrophobicContact CD1-CG 4.31Å; F76-E123 HydrophobicContact CE1-CB 3.66Å; F76-E123 HydrophobicContact CE1-CG 3.71Å; F76-E123 HydrophobicContact CZ-CG 4.44Å; F119-E123 VanDerWaalsContact CZ-OE1 3.25Å; F119-E123 WeakPolarHBondContact CZ-OE1 3.35Å; F119-E123 PolarHBondContact O-N 2.93Å; Y120-E123 PolarHBondContact O-N 3Å; I121-E123 VanDerWaalsContact C-N 3.33Å; E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 2.89Å; E123-C126 WeakPolarHBondContact O-CB 3.44Å; E123-C126 PolarHBondContact O-N 3.08Å; E123-C126 VanDerWaalsContact O-N 3.14Å; E123-G127 PolarHBondContact O-N 3.46Å; E123-H153 IonicContact OE1-CE1 3.54Å; E123-H153 IonicContact OE1-CG 3.67Å; E123-H153 IonicContact OE1-ND1 2.65Å; E123-H153 PolarHBondContact OE1-ND1 3.37Å; E123-H153 IonicContact OE2-ND1 3.87Å; E123-V154 HydrophobicContact CB-CG2 3.74Å; E123-V154 WeakPolarHBondContact OE2-CG2 3.4Å; E123-V154 PolarHBondContact OE2-N 2.85Å
124V98.8Very high98.3Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-58.7-41.8172.8172.70000110.5Y120 C126 G127 L128 I146 V154 V156 L202 L205Y120-V124 WeakPolarHBondContact O-CG2 3.47Å; Y120-V124 PolarHBondContact O-N 2.89Å; V124-C126 PolarHBondContact O-N 3.21Å; V124-G127 PolarHBondContact O-N 3.08Å; V124-L128 HydrophobicContact CG1-CD1 3.99Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 2.74Å; V124-I146 HydrophobicContact CG1-CD1 4.28Å; V124-I146 HydrophobicContact CG2-CD1 3.83Å; V124-I146 HydrophobicContact CG2-CG1 4.09Å; V124-I146 HydrophobicContact CG2-CG2 3.96Å; V124-V154 HydrophobicContact CG2-CG2 4.35Å; V124-V156 HydrophobicContact CB-CG2 4.46Å; V124-V156 HydrophobicContact CG1-CG2 4.04Å; V124-L202 HydrophobicContact CG1-CD1 3.78Å; V124-L205 HydrophobicContact CG1-CD2 4.43Å
125I98.8Very high98.3Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-62.1-41.7175.6-75.6165.8000111.3I121 A122 E123 G127 L128 E129 L202 L263 V266 K267 L272 W277I121-I125 HydrophobicContact CG2-CD1 3.8Å; I121-I125 HydrophobicContact CG2-CG1 4.36Å; I121-I125 WeakPolarHBondContact O-CB 3.47Å; I121-I125 WeakPolarHBondContact O-CD1 3.39Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 3.11Å; A122-I125 WeakPolarHBondContact O-CB 3.2Å; A122-I125 PolarHBondContact O-N 2.79Å; E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 2.89Å; I125-G127 VanDerWaalsContact C-N 3.33Å; I125-G127 PolarHBondContact O-N 2.57Å; I125-L128 PolarHBondContact O-N 3.07Å; I125-E129 WeakPolarHBondContact O-CB 3.48Å; I125-E129 PolarHBondContact O-N 3Å; I125-L202 HydrophobicContact CD1-CD2 4.1Å; I125-L202 HydrophobicContact CG1-CD1 4.48Å; I125-L202 HydrophobicContact CG1-CD2 3.8Å; I125-L263 HydrophobicContact CG1-CD2 4.19Å; I125-L263 HydrophobicContact CG2-CD2 4.22Å; I125-V266 HydrophobicContact CD1-CG1 3.99Å; I125-K267 HydrophobicContact CG2-CD 4Å; I125-K267 HydrophobicContact CG2-CG 3.79Å; I125-L272 HydrophobicContact CD1-CD1 3.4Å; I125-W277 HydrophobicContact CB-CH2 4.07Å; I125-W277 HydrophobicContact CB-CZ3 4.03Å; I125-W277 HydrophobicContact CD1-CH2 3.87Å; I125-W277 HydrophobicContact CG2-CH2 3.7Å; I125-W277 HydrophobicContact CG2-CZ3 3.61Å
126C98.6Very high98.3Very high13 Ų1319.2 Ų19.29%0.08811%0.106CC..Hα-helixtrans-61.3-40175.5-68.80000112.3F76 A122 E123 V124 H130F76-C126 HydrophobicContact CD2-CB 3.42Å; F76-C126 VanDerWaalsContact CD2-CB 3.42Å; F76-C126 HydrophobicContact CE2-CB 3.69Å; F76-C126 HydrophobicContact CG-CB 4.01Å; F76-C126 HydrophobicContact CZ-CB 4.5Å; A122-C126 PolarHBondContact O-N 3.18Å; A122-C126 PolarHBondContact O-SG 3.16Å; A122-C126 VanDerWaalsContact O-SG 3.36Å; E123-C126 WeakPolarHBondContact O-CB 3.44Å; E123-C126 PolarHBondContact O-N 3.08Å; E123-C126 VanDerWaalsContact O-N 3.14Å; V124-C126 PolarHBondContact O-N 3.21Å; C126-H130 PolarHBondContact O-N 2.97Å
127G98.6Very high98.4Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-64.1-49.2174.200000112.8E123 V124 I125 E129 H130 L131E123-G127 PolarHBondContact O-N 3.46Å; V124-G127 PolarHBondContact O-N 3.08Å; I125-G127 VanDerWaalsContact C-N 3.33Å; I125-G127 PolarHBondContact O-N 2.57Å; G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 2.93Å; G127-H130 PolarHBondContact O-N 3.39Å; G127-L131 PolarHBondContact O-N 3.05Å
128L98.8Very high98.4Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-65.6-35.1178.5-65.5176000112.4V124 I125 H130 L131 H132 H138 V141 D198 L202 L263V124-L128 HydrophobicContact CG1-CD1 3.99Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 2.74Å; I125-L128 PolarHBondContact O-N 3.07Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 2.56Å; L128-L131 HydrophobicContact CD2-CD1 4.39Å; L128-L131 PolarHBondContact O-N 2.75Å; L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.46Å; L128-H132 PolarHBondContact O-CD2 3.11Å; L128-H132 VanDerWaalsContact O-CD2 3.24Å; L128-H132 PolarHBondContact O-N 3.27Å; L128-H138 HydrophobicContact CD2-CB 3.87Å; L128-V141 HydrophobicContact CD1-CG2 4.27Å; L128-V141 HydrophobicContact CD2-CG2 3.86Å; L128-D198 HydrophobicContact CD1-CB 4.43Å; L128-L202 HydrophobicContact CD1-CD1 4.39Å; L128-L263 VanDerWaalsContact C-CD1 3.46Å; L128-L263 HydrophobicContact CB-CD1 3.69Å
129E98.2Very high98.3Very high71 Ų7115.6 Ų15.633%0.3329%0.09SC..Hα-helixtrans-61-40.7177.4-176.5170-122.400110.9I125 G127 H132 S133 L263 K267I125-E129 WeakPolarHBondContact O-CB 3.48Å; I125-E129 PolarHBondContact O-N 3Å; G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 2.93Å; E129-H132 PolarHBondContact O-N 3.2Å; E129-S133 WeakPolarHBondContact O-CB 3Å; E129-S133 PolarHBondContact O-N 2.76Å; E129-L263 HydrophobicContact CB-CD1 4.06Å; E129-L263 VanDerWaalsContact N-CD1 3.31Å; E129-K267 WeakPolarHBondContact OE1-CD 3.29Å; E129-K267 IonicContact OE1-NZ 2.89Å; E129-K267 PolarHBondContact OE1-NZ 3.33Å; E129-K267 IonicContact OE2-NZ 3Å; E129-K267 PolarHBondContact OE2-NZ 3.17Å
130H98.1Very high98.2Very high25 Ų2514.6 Ų14.612%0.1169%0.085CC..Hα-helixtrans-65.5-47.7174.8-170.289.7000111.9F72 L77 C126 G127 L128 H132 S133 M134F72-H130 AromaticContact CD1-CE1 3.68Å; F72-H130 AromaticContact CD1-ND1 3.6Å; F72-H130 AromaticContact CE1-ND1 4Å; F72-H130 PolarHBondContact O-CE1 3.44Å; F72-H130 VanDerWaalsContact O-CE1 3.31Å; L77-H130 HydrophobicContact CD1-CB 3.93Å; L77-H130 VanDerWaalsContact CD1-CD2 3.45Å; L77-H130 WeakPolarHBondContact CD1-CD2 3.37Å; C126-H130 PolarHBondContact O-N 2.97Å; G127-H130 PolarHBondContact O-N 3.39Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 2.56Å; H130-H132 VanDerWaalsContact C-N 3.35Å; H130-H132 PolarHBondContact O-N 3.26Å; H130-S133 PolarHBondContact O-N 3.32Å; H130-S133 PolarHBondContact O-OG 3.28Å; H130-M134 PolarHBondContact O-N 3.18Å
131L98.5Very high98.2Very high0 Ų014.6 Ų14.60%09%0.085CC..Hα-helixtrans-57.6-46.7174.9-68.8177.4000112.1L67 L77 G127 L128 S133 M134 S135 I136 H138 L159L67-L131 HydrophobicContact CD1-CD2 4.22Å; L67-L131 HydrophobicContact CD2-CD2 4.23Å; L77-L131 HydrophobicContact CD1-CD2 3.8Å; L77-L131 HydrophobicContact CD1-CG 3.85Å; L77-L131 HydrophobicContact CD2-CD1 3.83Å; L77-L131 HydrophobicContact CD2-CD2 4.07Å; L77-L131 HydrophobicContact CD2-CG 3.76Å; L77-L131 HydrophobicContact CG-CG 4.49Å; G127-L131 PolarHBondContact O-N 3.05Å; L128-L131 HydrophobicContact CD2-CD1 4.39Å; L128-L131 PolarHBondContact O-N 2.75Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.33Å; L131-M134 CarbonylContact O-C 3.58Å; L131-M134 WeakPolarHBondContact O-CA 3.38Å; L131-M134 WeakPolarHBondContact O-CB 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-S135 PolarHBondContact O-N 2.78Å; L131-I136 CarbonylContact C-O 3.6Å; L131-I136 VanDerWaalsContact C-O 3.32Å; L131-I136 HydrophobicContact CB-CB 4.25Å; L131-I136 HydrophobicContact CB-CG2 4.45Å; L131-I136 HydrophobicContact CD2-CB 4.36Å; L131-I136 HydrophobicContact CD2-CG2 4.08Å; L131-I136 WeakPolarHBondContact O-CB 3.31Å; L131-I136 PolarHBondContact O-N 3.45Å; L131-H138 HydrophobicContact CD1-CB 4.16Å; L131-L159 HydrophobicContact CD1-CD2 4.08Å; L131-L159 HydrophobicContact CD2-CD2 4.48Å
132H98.3Very high98.1Very high26 Ų2615.3 Ų15.312%0.129%0.088CC..Hα-helixtrans-65.5-34.1-178.6-70.4-169.9000111.7L128 E129 H130 M134 S135 I136 T195 D198 L263L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.46Å; L128-H132 PolarHBondContact O-CD2 3.11Å; L128-H132 VanDerWaalsContact O-CD2 3.24Å; L128-H132 PolarHBondContact O-N 3.27Å; E129-H132 PolarHBondContact O-N 3.2Å; H130-H132 VanDerWaalsContact C-N 3.35Å; H130-H132 PolarHBondContact O-N 3.26Å; H132-M134 PolarHBondContact O-N 3.04Å; H132-S135 PolarHBondContact O-N 3.39Å; H132-I136 PolarHBondContact CD2-O 2.88Å; H132-I136 VanDerWaalsContact CD2-O 3.27Å; H132-T195 HydrophobicContact CB-CG2 3.85Å; H132-T195 PolarHBondContact CE1-O 3.05Å; H132-T195 WeakPolarHBondContact ND1-CB 3.19Å; H132-D198 IonicContact CD2-OD2 3.43Å; H132-D198 IonicContact CE1-OD2 2.64Å; H132-D198 IonicContact NE2-OD2 3.53Å; H132-D198 PolarHBondContact NE2-OD2 3.43Å; H132-L263 HydrophobicContact CB-CD1 4.36Å; H132-L263 WeakPolarHBondContact ND1-CD1 3.45Å
133S97.2Very high98Very high89 Ų8915.3 Ų15.362%0.6229%0.088SC*.Hα-helixtrans-61.6-27.2173.480.60000112.7E129 H130 L131 S135E129-S133 WeakPolarHBondContact O-CB 3Å; E129-S133 PolarHBondContact O-N 2.76Å; H130-S133 PolarHBondContact O-N 3.32Å; H130-S133 PolarHBondContact O-OG 3.28Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.33Å; S133-S135 VanDerWaalsContact C-N 3.34Å
134M97.2Very high97.7Very high23 Ų2316.2 Ų16.211%0.1139%0.092CC..THydrogen-bonded Turntrans-92.98.2175.8-60.6-179.972.100113.4R66 L67 C70 H130 L131 H132 I136R66-M134 HydrophobicContact CB-CE 3.8Å; R66-M134 PolarHBondContact NH2-O 3.03Å; R66-M134 VanDerWaalsContact NH2-O 3.1Å; L67-M134 HydrophobicContact CD2-SD 3.63Å; C70-M134 WeakPolarHBondContact SG-CE 3.43Å; C70-M134 VanDerWaalsContact SG-SD 3.69Å; H130-M134 PolarHBondContact O-N 3.18Å; L131-M134 CarbonylContact O-C 3.58Å; L131-M134 WeakPolarHBondContact O-CA 3.38Å; L131-M134 WeakPolarHBondContact O-CB 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; H132-M134 PolarHBondContact O-N 3.04Å; M134-I136 VanDerWaalsContact C-N 3.25Å; M134-I136 HydrophobicContact CB-CD1 3.88Å; M134-I136 HydrophobicContact CB-CG1 4.13Å; M134-I136 HydrophobicContact CE-CD1 4.38Å; M134-I136 PolarHBondContact O-N 3.32Å; M134-I136 HydrophobicContact SD-CD1 4.44Å
135S97.7Very high97.6Very high50 Ų5016.7 Ų16.735%0.3510%0.095SC..THydrogen-bonded Turntrans59.632.4-173.4-55.10000113.8L131 H132 S133 I165L131-S135 PolarHBondContact O-N 2.78Å; H132-S135 PolarHBondContact O-N 3.39Å; S133-S135 VanDerWaalsContact C-N 3.34Å; S135-I165 WeakPolarHBondContact O-CB 3.47Å; S135-I165 PolarHBondContact O-N 3.26Å
136I98.4Very high97.5Very high0 Ų016.7 Ų16.70%010%0.095CC..EExtended strand (participates in β ladder)trans-104.4130.8176.3-60.5168.2000108.8I63 L131 H132 M134 Y163I63-I136 HydrophobicContact CD1-CG2 4.13Å; I63-I136 HydrophobicContact CG1-CD1 4.49Å; I63-I136 HydrophobicContact CG2-CD1 4.06Å; I63-I136 HydrophobicContact CG2-CG2 4.39Å; L131-I136 CarbonylContact C-O 3.6Å; L131-I136 VanDerWaalsContact C-O 3.32Å; L131-I136 HydrophobicContact CB-CB 4.25Å; L131-I136 HydrophobicContact CB-CG2 4.45Å; L131-I136 HydrophobicContact CD2-CB 4.36Å; L131-I136 HydrophobicContact CD2-CG2 4.08Å; L131-I136 WeakPolarHBondContact O-CB 3.31Å; L131-I136 PolarHBondContact O-N 3.45Å; H132-I136 PolarHBondContact CD2-O 2.88Å; H132-I136 VanDerWaalsContact CD2-O 3.27Å; M134-I136 VanDerWaalsContact C-N 3.25Å; M134-I136 HydrophobicContact CB-CD1 3.88Å; M134-I136 HydrophobicContact CB-CG1 4.13Å; M134-I136 HydrophobicContact CE-CD1 4.38Å; M134-I136 PolarHBondContact O-N 3.32Å; M134-I136 HydrophobicContact SD-CD1 4.44Å; I136-Y163 WeakPolarHBondContact CA-O 3.49Å
137V98.5Very high97.4Very high0 Ų018.3 Ų18.30%010%0.103CC..EExtended strand (participates in β ladder)trans-105.6131.7174.3-171.40000108.3L139 S162 Y163 I165 I193 D194 T195 D198V137-L139 HydrophobicContact CB-CG 4.35Å; V137-L139 HydrophobicContact CG1-CD2 3.73Å; V137-L139 HydrophobicContact CG1-CG 3.91Å; V137-S162 CarbonylContact O-C 3.47Å; V137-S162 WeakPolarHBondContact O-CA 3.49Å; V137-S162 VanDerWaalsContact O-CB 3.32Å; V137-S162 WeakPolarHBondContact O-CB 3.48Å; V137-Y163 PolarHBondContact N-O 3.14Å; V137-Y163 PolarHBondContact O-N 3.5Å; V137-I165 HydrophobicContact CG2-CD1 3.52Å; V137-I165 HydrophobicContact CG2-CG1 4.08Å; V137-I193 HydrophobicContact CB-CG2 4.21Å; V137-I193 HydrophobicContact CG1-CG2 4.36Å; V137-I193 HydrophobicContact CG2-CG2 4.12Å; V137-D194 WeakPolarHBondContact CG1-O 3.39Å; V137-T195 HydrophobicContact CG2-CG2 4.18Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.48Å
138H98.4Very high97.3Very high0 Ų018.3 Ų18.30%010%0.103CC..  trans-72-42.2-175.5-173.2-79.3000113L128 L131 D140 V141 V156 S157 D158 L159 S162 D198L128-H138 HydrophobicContact CD2-CB 3.87Å; L131-H138 HydrophobicContact CD1-CB 4.16Å; H138-D140 PolarHBondContact CE1-O 2.81Å; H138-D140 VanDerWaalsContact ND1-C 3.27Å; H138-D140 PolarHBondContact ND1-N 3.03Å; H138-D140 VanDerWaalsContact ND1-N 3.19Å; H138-D140 PolarHBondContact O-N 3.01Å; H138-V141 HydrophobicContact CB-CG2 3.95Å; H138-V141 PolarHBondContact ND1-N 2.72Å; H138-V156 WeakPolarHBondContact CD2-CG1 3.37Å; H138-V156 VanDerWaalsContact NE2-CG1 3.32Å; H138-V156 WeakPolarHBondContact NE2-CG1 3.32Å; H138-S157 PolarHBondContact NE2-O 2.77Å; H138-D158 PolarHBondContact NE2-O 3.38Å; H138-L159 VanDerWaalsContact CD2-CD2 3.49Å; H138-L159 WeakPolarHBondContact CD2-CD2 3.17Å; H138-S162 WeakPolarHBondContact CA-OG 3.37Å; H138-S162 PolarHBondContact O-OG 3.44Å; H138-D198 PolarHBondContact N-OD1 3.39Å; H138-D198 PolarHBondContact N-OD2 3.38Å
139L97.6Very high97Very high8 Ų819 Ų194%0.04211%0.105CC..  trans66.5-20.9179.9-66.3179.4000117.5V137 V187 I193 D198V137-L139 HydrophobicContact CB-CG 4.35Å; V137-L139 HydrophobicContact CG1-CD2 3.73Å; V137-L139 HydrophobicContact CG1-CG 3.91Å; L139-V187 HydrophobicContact CD2-CG1 4.38Å; L139-V187 HydrophobicContact CD2-CG2 4.02Å; L139-I193 HydrophobicContact CD1-CD1 4.14Å; L139-I193 HydrophobicContact CD1-CG1 4.46Å; L139-I193 HydrophobicContact CD1-CG2 4.12Å; L139-I193 HydrophobicContact CD2-CG2 4.05Å; L139-I193 HydrophobicContact CG-CG2 4.43Å; L139-D198 PolarHBondContact N-OD1 3.02Å
140D96.5Very high96.7Very high1 Ų119.3 Ų19.31%0.00511%0.113CC..  trans-124.345.4179-155.332.4000113.8H138 K142 N145 R161 T179H138-D140 PolarHBondContact CE1-O 2.81Å; H138-D140 VanDerWaalsContact ND1-C 3.27Å; H138-D140 PolarHBondContact ND1-N 3.03Å; H138-D140 VanDerWaalsContact ND1-N 3.19Å; H138-D140 PolarHBondContact O-N 3.01Å; D140-K142 PolarHBondContact O-N 3.14Å; D140-K142 IonicContact OD1-NZ 3.61Å; D140-K142 PolarHBondContact OD1-NZ 2.91Å; D140-K142 VanDerWaalsContact OD2-CE 3.22Å; D140-K142 WeakPolarHBondContact OD2-CE 3.28Å; D140-K142 IonicContact OD2-NZ 2.72Å; D140-K142 PolarHBondContact OD2-NZ 3.36Å; D140-N145 PolarHBondContact O-ND2 2.81Å; D140-N145 PolarHBondContact OD2-ND2 3.25Å; D140-R161 HydrophobicContact CB-CB 4.27Å; D140-R161 IonicContact OD2-NH1 2.73Å; D140-T179 WeakPolarHBondContact OD1-CB 3.41Å; D140-T179 PolarHBondContact OD1-N 2.88Å; D140-T179 PolarHBondContact OD1-OG1 3.04Å
141V98.3Very high96.5Very high0 Ų022.4 Ų22.40%013%0.131CC..  trans-70.4112.6174.8178.30000109.9L128 H138 L205L128-V141 HydrophobicContact CD1-CG2 4.27Å; L128-V141 HydrophobicContact CD2-CG2 3.86Å; H138-V141 HydrophobicContact CB-CG2 3.95Å; H138-V141 PolarHBondContact ND1-N 2.72Å; V141-L205 HydrophobicContact CG1-CD2 3.88Å
142K96.4Very high96.3Very high15 Ų1522.4 Ų22.47%0.06513%0.131CC..SBendtrans-157.7162.6-179.963.9-174.2172.9-162.50110.5D140 E144 N145 I146 T179 F182D140-K142 PolarHBondContact O-N 3.14Å; D140-K142 IonicContact OD1-NZ 3.61Å; D140-K142 PolarHBondContact OD1-NZ 2.91Å; D140-K142 VanDerWaalsContact OD2-CE 3.22Å; D140-K142 WeakPolarHBondContact OD2-CE 3.28Å; D140-K142 IonicContact OD2-NZ 2.72Å; D140-K142 PolarHBondContact OD2-NZ 3.36Å; K142-E144 HydrophobicContact CD-CB 4.41Å; K142-E144 HydrophobicContact CG-CB 4.28Å; K142-E144 WeakPolarHBondContact CG-OE2 3.48Å; K142-E144 PolarHBondContact O-N 3.35Å; K142-E144 VanDerWaalsContact O-N 3.13Å; K142-N145 WeakPolarHBondContact CE-ND2 3.48Å; K142-N145 WeakPolarHBondContact CE-OD1 3.48Å; K142-N145 HydrophobicContact CG-CB 4.15Å; K142-N145 PolarHBondContact O-N 2.83Å; K142-I146 PolarHBondContact O-N 3.43Å; K142-T179 HydrophobicContact CD-CG2 4.5Å; K142-T179 WeakPolarHBondContact CD-OG1 3.35Å; K142-T179 PolarHBondContact NZ-OG1 3.34Å; K142-F182 HydrophobicContact CB-CD1 4.01Å; K142-F182 HydrophobicContact CB-CD2 3.74Å; K142-F182 HydrophobicContact CB-CE1 4.02Å; K142-F182 HydrophobicContact CB-CE2 3.74Å; K142-F182 HydrophobicContact CB-CG 3.89Å; K142-F182 HydrophobicContact CB-CZ 3.89Å
143P96.1Very high96.2Very high0 Ų021.9 Ų21.90%013%0.128CC..G310 helixtrans-54.1-34.9-177.6-27.836.1000114.7L102 Y103 L106 N145 I146 F182 L205L102-P143 HydrophobicContact CB-CB 4.27Å; L102-P143 WeakPolarHBondContact CB-O 3.38Å; L102-P143 HydrophobicContact CG-CB 4.39Å; L102-P143 PolarHBondContact N-O 3.31Å; Y103-P143 HydrophobicContact CD2-CB 4.39Å; Y103-P143 PolarHBondContact N-O 2.95Å; L106-P143 HydrophobicContact CD1-CB 4.11Å; L106-P143 HydrophobicContact CD1-CG 4.01Å; P143-N145 VanDerWaalsContact C-N 3.26Å; P143-N145 PolarHBondContact O-N 3.46Å; P143-I146 PolarHBondContact O-N 3.45Å; P143-F182 VanDerWaalsContact CD-CZ 3.43Å; P143-F182 HydrophobicContact CG-CZ 4.32Å; P143-L205 HydrophobicContact CB-CD1 4.34Å; P143-L205 HydrophobicContact CG-CD1 3.58Å
144E93Very high96.3Very high19 Ų1917.6 Ų17.69%0.08910%0.099CC..G310 helixtrans-67.7-23.8179.8-61.884.9164.200113.4Y103 K142 R425 R427Y103-E144 HydrophobicContact CD1-CG 4.12Å; Y103-E144 HydrophobicContact CG-CG 4.02Å; K142-E144 HydrophobicContact CD-CB 4.41Å; K142-E144 HydrophobicContact CG-CB 4.28Å; K142-E144 WeakPolarHBondContact CG-OE2 3.48Å; K142-E144 PolarHBondContact O-N 3.35Å; K142-E144 VanDerWaalsContact O-N 3.13Å; E144-R425 IonicContact OE1-CZ 3.91Å; E144-R425 IonicContact OE1-NE 2.7Å; E144-R425 PolarHBondContact OE1-NE 2.82Å; E144-R425 VanDerWaalsContact OE1-NE 3.1Å; E144-R425 IonicContact OE1-NH2 2.79Å; E144-R425 PolarHBondContact OE1-NH2 2.69Å; E144-R425 IonicContact OE2-NH2 3.78Å; E144-R425 PolarHBondContact OE2-NH2 3.01Å; E144-R427 HydrophobicContact CG-CG 4.21Å
145N95.8Very high96.3Very high11 Ų1117 Ų176%0.05910%0.095CC..G310 helixtrans-100.11.9-179.1-723.6000112.6D140 K142 P143 S157D140-N145 PolarHBondContact O-ND2 2.81Å; D140-N145 PolarHBondContact OD2-ND2 3.25Å; K142-N145 WeakPolarHBondContact CE-ND2 3.48Å; K142-N145 WeakPolarHBondContact CE-OD1 3.48Å; K142-N145 HydrophobicContact CG-CB 4.15Å; K142-N145 PolarHBondContact O-N 2.83Å; P143-N145 VanDerWaalsContact C-N 3.26Å; P143-N145 PolarHBondContact O-N 3.46Å; N145-S157 PolarHBondContact O-N 2.95Å; N145-S157 PolarHBondContact O-OG 3.31Å
146I97.9Very high96.4Very high0 Ų014.6 Ų14.60%08%0.079CC..EExtended strand (participates in β ladder)trans-100101.9171.8-54-47.8000107.8D101 L102 V124 K142 P143 V154 F155 V156 L205D101-I146 CarbonylContact C-O 3.57Å; D101-I146 VanDerWaalsContact CA-O 3.31Å; D101-I146 WeakPolarHBondContact CA-O 3.44Å; L102-I146 HydrophobicContact CB-CB 3.82Å; L102-I146 HydrophobicContact CB-CG2 4.11Å; L102-I146 HydrophobicContact CD2-CB 4.12Å; L102-I146 HydrophobicContact CD2-CG1 4.27Å; L102-I146 HydrophobicContact CD2-CG2 4.16Å; L102-I146 PolarHBondContact N-O 3.48Å; V124-I146 HydrophobicContact CG1-CD1 4.28Å; V124-I146 HydrophobicContact CG2-CD1 3.83Å; V124-I146 HydrophobicContact CG2-CG1 4.09Å; V124-I146 HydrophobicContact CG2-CG2 3.96Å; K142-I146 PolarHBondContact O-N 3.43Å; P143-I146 PolarHBondContact O-N 3.45Å; I146-V154 HydrophobicContact CG2-CB 3.68Å; I146-V154 HydrophobicContact CG2-CG1 4.05Å; I146-V154 HydrophobicContact CG2-CG2 3.85Å; I146-F155 WeakPolarHBondContact CA-O 3.44Å; I146-V156 HydrophobicContact CD1-CB 4.34Å; I146-V156 HydrophobicContact CD1-CG1 4.23Å; I146-V156 HydrophobicContact CD1-CG2 3.98Å; I146-L205 HydrophobicContact CG1-CD2 4.18Å
147L96Very high96.3Very high47 Ų4715 Ų1525%0.2468%0.082CC..EExtended strand (participates in β ladder)trans-94.6151.3-176.2-60-175.1000111.1D101 V154 F155 S157D101-L147 HydrophobicContact CB-CD2 3.6Å; L147-V154 CarbonylContact O-C 3.45Å; L147-V154 WeakPolarHBondContact O-CA 3.5Å; L147-V154 WeakPolarHBondContact O-CB 3.14Å; L147-F155 HydrophobicContact CB-CD1 4.03Å; L147-F155 HydrophobicContact CB-CE1 3.5Å; L147-F155 HydrophobicContact CB-CE2 4.05Å; L147-F155 HydrophobicContact CB-CZ 3.52Å; L147-F155 HydrophobicContact CD1-CE2 4.02Å; L147-F155 HydrophobicContact CD1-CZ 3.78Å; L147-F155 HydrophobicContact CG-CE2 4.46Å; L147-F155 HydrophobicContact CG-CZ 4.22Å; L147-F155 PolarHBondContact N-O 3.19Å; L147-F155 VanDerWaalsContact O-CD1 3.3Å; L147-F155 WeakPolarHBondContact O-CD1 2.99Å; L147-F155 PolarHBondContact O-N 3.45Å; L147-S157 WeakPolarHBondContact CD1-OG 3.06Å; L147-S157 VanDerWaalsContact CG-OG 3.31Å; L147-S157 WeakPolarHBondContact CG-OG 3.32Å
148F95.8Very high96.1Very high0 Ų016.7 Ų16.70%09%0.091CC..EExtended strand (participates in β ladder)trans-90.5148.9173.8-76.2-92.4000111.5G97 S98 C100 L102 L105 Y120 H153 V154 T291 L294G97-F148 CarbonylContact C-O 3.47Å; G97-F148 VanDerWaalsContact CA-O 3.3Å; G97-F148 WeakPolarHBondContact CA-O 3.42Å; S98-F148 PolarHBondContact N-O 3.31Å; S98-F148 WeakPolarHBondContact OG-CB 3.47Å; S98-F148 PolarHBondContact OG-O 2.79Å; C100-F148 HydrophobicContact CB-CD2 4.45Å; C100-F148 PolarHBondContact O-N 3.17Å; L102-F148 HydrophobicContact CB-CE2 4.41Å; L102-F148 HydrophobicContact CD1-CZ 4.3Å; L105-F148 HydrophobicContact CB-CE2 4.23Å; L105-F148 HydrophobicContact CB-CZ 4.25Å; L105-F148 HydrophobicContact CD2-CZ 3.9Å; Y120-F148 HydrophobicContact CD1-CE1 4.43Å; Y120-F148 AromaticContact CE1-CE1 3.48Å; Y120-F148 HydrophobicContact CE1-CE1 3.48Å; Y120-F148 VanDerWaalsContact CE1-CE1 3.48Å; Y120-F148 AromaticContact CE1-CZ 3.89Å; Y120-F148 HydrophobicContact CE1-CZ 3.89Å; Y120-F148 AromaticContact CZ-CE1 3.74Å; Y120-F148 AromaticContact CZ-CZ 3.94Å; F148-H153 CarbonylContact C-O 3.49Å; F148-H153 WeakPolarHBondContact CA-O 3.48Å; F148-V154 HydrophobicContact CD1-CG1 3.7Å; F148-V154 HydrophobicContact CD2-CG1 4.37Å; F148-V154 HydrophobicContact CE1-CG1 3.59Å; F148-V154 HydrophobicContact CE2-CG1 4.28Å; F148-V154 HydrophobicContact CG-CG1 4.09Å; F148-V154 HydrophobicContact CZ-CG1 3.88Å; F148-T291 HydrophobicContact CB-CG2 3.93Å; F148-T291 HydrophobicContact CD1-CG2 4.26Å; F148-T291 HydrophobicContact CG-CG2 4.36Å; F148-L294 HydrophobicContact CD1-CD1 4.36Å; F148-L294 HydrophobicContact CD2-CD1 4.07Å; F148-L294 HydrophobicContact CE1-CD1 4.31Å; F148-L294 HydrophobicContact CE2-CD1 4.01Å; F148-L294 HydrophobicContact CG-CD1 4.24Å; F148-L294 HydrophobicContact CZ-CD1 4.16Å
149Y94.1Very high96Very high14 Ų1416.7 Ų16.76%0.0559%0.091CC..PPolyproline II helixtrans-88.9160.6155-73.5-78.1000110.4P75 R95 E96 D151 G152 H153 F155 R283 T291P75-Y149 WeakPolarHBondContact O-CE2 3.38Å; R95-Y149 HydrophobicContact CG-CE1 4.24Å; E96-Y149 WeakPolarHBondContact O-CD1 3.38Å; E96-Y149 WeakPolarHBondContact O-CE1 3.19Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.42Å; Y149-D151 PolarHBondContact O-N 3.43Å; Y149-D151 VanDerWaalsContact O-N 3.12Å; Y149-G152 PolarHBondContact O-N 3.36Å; Y149-H153 PolarHBondContact N-O 3.25Å; Y149-F155 HydrophobicContact CD1-CE1 4.3Å; Y149-F155 AromaticContact CD2-CD1 3.44Å; Y149-F155 HydrophobicContact CD2-CD1 3.44Å; Y149-F155 VanDerWaalsContact CD2-CD1 3.44Å; Y149-F155 AromaticContact CD2-CE1 3.93Å; Y149-F155 HydrophobicContact CD2-CE1 3.93Å; Y149-F155 HydrophobicContact CD2-CG 4.37Å; Y149-F155 HydrophobicContact CE1-CD1 4.2Å; Y149-F155 HydrophobicContact CE1-CE1 4Å; Y149-F155 HydrophobicContact CE2-CB 3.78Å; Y149-F155 AromaticContact CE2-CD1 3.04Å; Y149-F155 HydrophobicContact CE2-CD1 3.04Å; Y149-F155 AromaticContact CE2-CE1 3.68Å; Y149-F155 HydrophobicContact CE2-CE1 3.68Å; Y149-F155 AromaticContact CE2-CG 3.6Å; Y149-F155 HydrophobicContact CE2-CG 3.6Å; Y149-F155 HydrophobicContact CG-CD1 4.23Å; Y149-F155 HydrophobicContact CG-CE1 4.29Å; Y149-F155 AromaticContact CZ-CD1 3.49Å; Y149-F155 VanDerWaalsContact CZ-CD1 3.49Å; Y149-F155 AromaticContact CZ-CE1 3.72Å; Y149-F155 AromaticContact CZ-CG 3.94Å; Y149-R283 VanDerWaalsContact CE2-CZ 3.41Å; Y149-T291 WeakPolarHBondContact O-CG2 3.49Å
150P91.5Very high95.8Very high77 Ų7716.9 Ų16.950%0.59%0.092SC..THydrogen-bonded Turntrans-53.9-30.9179.2-28.636.7000114.5G152 T291P150-G152 VanDerWaalsContact C-N 3.27Å; P150-G152 PolarHBondContact O-N 2.99Å; P150-T291 PolarHBondContact O-OG1 3.02Å
151D92.5Very high95.7Very high91 Ų9117.4 Ų17.449%0.4879%0.094SC..THydrogen-bonded Turntrans-75.7-6.917959.912.2000114.7Y149 H153Y149-D151 WeakPolarHBondContact CB-OD1 3.42Å; Y149-D151 PolarHBondContact O-N 3.43Å; Y149-D151 VanDerWaalsContact O-N 3.12Å; D151-H153 IonicContact OD1-CD2 3.51Å; D151-H153 IonicContact OD1-CG 3.88Å; D151-H153 PolarHBondContact OD1-N 3.13Å; D151-H153 VanDerWaalsContact OD1-N 3.09Å; D151-H153 IonicContact OD2-CD2 3.58Å
152G94.8Very high95.7Very high0 Ų017.5 Ų17.50%09%0.094CC..SBendtrans96.1-5.8177.800000115.1Y149 P150Y149-G152 PolarHBondContact O-N 3.36Å; P150-G152 VanDerWaalsContact C-N 3.27Å; P150-G152 PolarHBondContact O-N 2.99Å
153H97.6Very high95.8Very high14 Ų1417.9 Ų17.97%0.06510%0.095CC..  trans-72.5158.3169.3-68.6-80.8000111.1F119 E123 F148 Y149 D151 R283 L285F119-H153 AromaticContact CZ-ND1 3.89Å; E123-H153 IonicContact OE1-CE1 3.54Å; E123-H153 IonicContact OE1-CG 3.67Å; E123-H153 IonicContact OE1-ND1 2.65Å; E123-H153 PolarHBondContact OE1-ND1 3.37Å; E123-H153 IonicContact OE2-ND1 3.87Å; F148-H153 CarbonylContact C-O 3.49Å; F148-H153 WeakPolarHBondContact CA-O 3.48Å; Y149-H153 PolarHBondContact N-O 3.25Å; D151-H153 IonicContact OD1-CD2 3.51Å; D151-H153 IonicContact OD1-CG 3.88Å; D151-H153 PolarHBondContact OD1-N 3.13Å; D151-H153 VanDerWaalsContact OD1-N 3.09Å; D151-H153 IonicContact OD2-CD2 3.58Å; H153-R283 PolarHBondContact CE1-O 2.9Å; H153-R283 VanDerWaalsContact CE1-O 3.3Å; H153-R283 PolarHBondContact NE2-O 3.12Å; H153-L285 PolarHBondContact CE1-O 3.26Å
154V98.1Very high95.8Very high0 Ų018 Ų180%010%0.096CC..EExtended strand (participates in β ladder)trans-113.9163.8179.9-59.90000113.3F76 Y120 E123 V124 I146 L147 F148 R283F76-V154 VanDerWaalsContact CD1-O 3.3Å; F76-V154 WeakPolarHBondContact CD1-O 3.31Å; Y120-V154 HydrophobicContact CD1-CB 4.45Å; Y120-V154 HydrophobicContact CD1-CG1 3.55Å; Y120-V154 HydrophobicContact CD1-CG2 4.04Å; Y120-V154 HydrophobicContact CE1-CG1 3.75Å; E123-V154 HydrophobicContact CB-CG2 3.74Å; E123-V154 WeakPolarHBondContact OE2-CG2 3.4Å; E123-V154 PolarHBondContact OE2-N 2.85Å; V124-V154 HydrophobicContact CG2-CG2 4.35Å; I146-V154 HydrophobicContact CG2-CB 3.68Å; I146-V154 HydrophobicContact CG2-CG1 4.05Å; I146-V154 HydrophobicContact CG2-CG2 3.85Å; L147-V154 CarbonylContact O-C 3.45Å; L147-V154 WeakPolarHBondContact O-CA 3.5Å; L147-V154 WeakPolarHBondContact O-CB 3.14Å; F148-V154 HydrophobicContact CD1-CG1 3.7Å; F148-V154 HydrophobicContact CD2-CG1 4.37Å; F148-V154 HydrophobicContact CE1-CG1 3.59Å; F148-V154 HydrophobicContact CE2-CG1 4.28Å; F148-V154 HydrophobicContact CG-CG1 4.09Å; F148-V154 HydrophobicContact CZ-CG1 3.88Å; V154-R283 PolarHBondContact O-NH2 3.09Å
155F98.4Very high96Very high9 Ų919.9 Ų19.94%0.03911%0.106CC..EExtended strand (participates in β ladder)trans-142.5153.5167.761.4-74.1000110.8F76 P78 I146 L147 Y149F76-F155 WeakPolarHBondContact O-CA 3.45Å; F76-F155 WeakPolarHBondContact O-CB 3.16Å; P78-F155 HydrophobicContact CG-CD2 4.38Å; P78-F155 HydrophobicContact CG-CE2 4.46Å; I146-F155 WeakPolarHBondContact CA-O 3.44Å; L147-F155 HydrophobicContact CB-CD1 4.03Å; L147-F155 HydrophobicContact CB-CE1 3.5Å; L147-F155 HydrophobicContact CB-CE2 4.05Å; L147-F155 HydrophobicContact CB-CZ 3.52Å; L147-F155 HydrophobicContact CD1-CE2 4.02Å; L147-F155 HydrophobicContact CD1-CZ 3.78Å; L147-F155 HydrophobicContact CG-CE2 4.46Å; L147-F155 HydrophobicContact CG-CZ 4.22Å; L147-F155 PolarHBondContact N-O 3.19Å; L147-F155 VanDerWaalsContact O-CD1 3.3Å; L147-F155 WeakPolarHBondContact O-CD1 2.99Å; L147-F155 PolarHBondContact O-N 3.45Å; Y149-F155 HydrophobicContact CD1-CE1 4.3Å; Y149-F155 AromaticContact CD2-CD1 3.44Å; Y149-F155 HydrophobicContact CD2-CD1 3.44Å; Y149-F155 VanDerWaalsContact CD2-CD1 3.44Å; Y149-F155 AromaticContact CD2-CE1 3.93Å; Y149-F155 HydrophobicContact CD2-CE1 3.93Å; Y149-F155 HydrophobicContact CD2-CG 4.37Å; Y149-F155 HydrophobicContact CE1-CD1 4.2Å; Y149-F155 HydrophobicContact CE1-CE1 4Å; Y149-F155 HydrophobicContact CE2-CB 3.78Å; Y149-F155 AromaticContact CE2-CD1 3.04Å; Y149-F155 HydrophobicContact CE2-CD1 3.04Å; Y149-F155 AromaticContact CE2-CE1 3.68Å; Y149-F155 HydrophobicContact CE2-CE1 3.68Å; Y149-F155 AromaticContact CE2-CG 3.6Å; Y149-F155 HydrophobicContact CE2-CG 3.6Å; Y149-F155 HydrophobicContact CG-CD1 4.23Å; Y149-F155 HydrophobicContact CG-CE1 4.29Å; Y149-F155 AromaticContact CZ-CD1 3.49Å; Y149-F155 VanDerWaalsContact CZ-CD1 3.49Å; Y149-F155 AromaticContact CZ-CE1 3.72Å; Y149-F155 AromaticContact CZ-CG 3.94Å
156V98.6Very high96Very high0 Ų021.7 Ų21.70%012%0.12CC..EExtended strand (participates in β ladder)trans-80.4129172.5-171.50000107.7F76 L77 P78 V124 H138 I146F76-V156 PolarHBondContact O-N 3.35Å; L77-V156 HydrophobicContact CD2-CB 4.15Å; P78-V156 VanDerWaalsContact CD-O 3.23Å; P78-V156 WeakPolarHBondContact CD-O 3.31Å; V124-V156 HydrophobicContact CB-CG2 4.46Å; V124-V156 HydrophobicContact CG1-CG2 4.04Å; H138-V156 WeakPolarHBondContact CD2-CG1 3.37Å; H138-V156 VanDerWaalsContact NE2-CG1 3.32Å; H138-V156 WeakPolarHBondContact NE2-CG1 3.32Å; I146-V156 HydrophobicContact CD1-CB 4.34Å; I146-V156 HydrophobicContact CD1-CG1 4.23Å; I146-V156 HydrophobicContact CD1-CG2 3.98Å
157S96.6Very high95.8Very high10 Ų1025.2 Ų25.27%0.0714%0.136CC..  trans-126.9173.7-175.974.70000111.7H138 N145 L147H138-S157 PolarHBondContact NE2-O 2.77Å; N145-S157 PolarHBondContact O-N 2.95Å; N145-S157 PolarHBondContact O-OG 3.31Å; L147-S157 WeakPolarHBondContact CD1-OG 3.06Å; L147-S157 VanDerWaalsContact CG-OG 3.31Å; L147-S157 WeakPolarHBondContact CG-OG 3.32Å
158D93.9Very high95.5Very high35 Ų3530.3 Ų30.319%0.18716%0.164CC..  trans64.280.6176.8-153.613.9000113.2K44 H138 D160K44-D158 IonicContact NZ-OD1 3.25Å; K44-D158 PolarHBondContact NZ-OD1 3.17Å; H138-D158 PolarHBondContact NE2-O 3.38Å; D158-D160 VanDerWaalsContact C-N 3.27Å; D158-D160 PolarHBondContact O-N 2.81Å; D158-D160 VanDerWaalsContact OD1-CG 3.29Å
159L97Very high95.3Very high0 Ų035.2 Ų35.20%019%0.189CC..  trans-92.416.8-178.2-53.9177.4000112.2E60 I63 L64 L67 L131 H138 R161 S162E60-L159 HydrophobicContact CG-CB 4.15Å; I63-L159 HydrophobicContact CG2-CB 4.09Å; I63-L159 HydrophobicContact CG2-CD1 3.59Å; I63-L159 HydrophobicContact CG2-CG 4.39Å; L64-L159 HydrophobicContact CD2-CD1 3.97Å; L64-L159 HydrophobicContact CG-CD1 4.5Å; L67-L159 HydrophobicContact CD1-CD1 3.52Å; L131-L159 HydrophobicContact CD1-CD2 4.08Å; L131-L159 HydrophobicContact CD2-CD2 4.48Å; H138-L159 VanDerWaalsContact CD2-CD2 3.49Å; H138-L159 WeakPolarHBondContact CD2-CD2 3.17Å; L159-R161 PolarHBondContact O-N 2.69Å; L159-S162 PolarHBondContact O-N 2.66Å
160D94.1Very high95.2Very high12 Ų1243.1 Ų43.16%0.06422%0.224CC..THydrogen-bonded Turntrans-65.7-19.7-178.476.8-18.1000113.8C56 R59 E60 D158C56-D160 HydrophobicContact CB-CB 4.31Å; R59-D160 VanDerWaalsContact CD-O 3.24Å; R59-D160 WeakPolarHBondContact CD-O 3.39Å; R59-D160 PolarHBondContact NH1-O 3.1Å; E60-D160 HydrophobicContact CB-CB 4.38Å; D158-D160 VanDerWaalsContact C-N 3.27Å; D158-D160 PolarHBondContact O-N 2.81Å; D158-D160 VanDerWaalsContact OD1-CG 3.29Å
161R94.4Very high95.3Very high12 Ų1241.2 Ų41.25%0.04521%0.211CC..THydrogen-bonded Turntrans-109.6-4179.6-78.3-179-176.972.110.1113.9D140 L159 T177 G430D140-R161 HydrophobicContact CB-CB 4.27Å; D140-R161 IonicContact OD2-NH1 2.73Å; L159-R161 PolarHBondContact O-N 2.69Å; R161-T177 HydrophobicContact CB-CG2 3.57Å; R161-T177 WeakPolarHBondContact CD-OG1 3.39Å; R161-T177 HydrophobicContact CG-CG2 3.54Å; R161-T177 PolarHBondContact NE-OG1 3.27Å; R161-G430 PolarHBondContact NH2-O 2.7Å
162S97.3Very high95.3Very high1 Ų140.4 Ų40.41%0.00721%0.21CC..  trans-67.9142.4-174.2-66.20000111.8R59 I63 V137 H138 L159R59-S162 WeakPolarHBondContact CD-O 3.42Å; I63-S162 VanDerWaalsContact CD1-CB 3.4Å; V137-S162 CarbonylContact O-C 3.47Å; V137-S162 WeakPolarHBondContact O-CA 3.49Å; V137-S162 VanDerWaalsContact O-CB 3.32Å; V137-S162 WeakPolarHBondContact O-CB 3.48Å; H138-S162 WeakPolarHBondContact CA-OG 3.37Å; H138-S162 PolarHBondContact O-OG 3.44Å; L159-S162 PolarHBondContact O-N 2.66Å
163Y97.7Very high95.1Very high23 Ų2345.3 Ų45.39%0.0924%0.235CC..EExtended strand (participates in β ladder)trans-110.9128.9-179.2-177.4-100.4000110.6I136 V137 I165 I169 P171 D175 I193I136-Y163 WeakPolarHBondContact CA-O 3.49Å; V137-Y163 PolarHBondContact N-O 3.14Å; V137-Y163 PolarHBondContact O-N 3.5Å; Y163-I165 HydrophobicContact CD1-CG1 3.79Å; Y163-I165 HydrophobicContact CE1-CB 4.49Å; Y163-I165 HydrophobicContact CE1-CG1 3.89Å; Y163-I169 PolarHBondContact OH-O 2.81Å; Y163-P171 HydrophobicContact CE2-CB 3.94Å; Y163-P171 WeakPolarHBondContact OH-CD 3.23Å; Y163-D175 HydrophobicContact CD2-CB 3.86Å; Y163-D175 HydrophobicContact CE2-CB 3.97Å; Y163-I193 HydrophobicContact CD1-CB 4.16Å; Y163-I193 HydrophobicContact CD1-CD1 4.48Å; Y163-I193 HydrophobicContact CD1-CG2 3.5Å; Y163-I193 HydrophobicContact CD2-CD1 4.36Å; Y163-I193 HydrophobicContact CE1-CB 4.48Å; Y163-I193 HydrophobicContact CE1-CG2 4.26Å; Y163-I193 HydrophobicContact CG-CD1 4.22Å; Y163-I193 HydrophobicContact CG-CG2 3.92Å
164D97.2Very high94.7Very high4 Ų447 Ų472%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-99.496.7-178.1178.16.2000109.8R62 R66 S166 Q167R62-D164 IonicContact CZ-OD2 3.4Å; R62-D164 IonicContact NE-OD2 3.41Å; R62-D164 PolarHBondContact NE-OD2 2.95Å; R62-D164 IonicContact NH2-OD2 2.8Å; R62-D164 PolarHBondContact NH2-OD2 3.07Å; R66-D164 IonicContact CZ-OD2 3.48Å; R66-D164 IonicContact NH1-OD1 2.92Å; R66-D164 PolarHBondContact NH1-OD1 3.25Å; R66-D164 IonicContact NH1-OD2 3.37Å; R66-D164 PolarHBondContact NH1-OD2 3.44Å; D164-S166 PolarHBondContact O-N 3.22Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.4Å; D164-S166 VanDerWaalsContact OD1-N 3.17Å; D164-S166 PolarHBondContact OD1-OG 3.29Å; D164-Q167 HydrophobicContact CB-CG 4.18Å; D164-Q167 WeakPolarHBondContact O-CB 3.47Å; D164-Q167 WeakPolarHBondContact O-CG 3.28Å; D164-Q167 PolarHBondContact O-N 2.87Å
165I97Very high94.5Very high57 Ų5748.3 Ų48.329%0.29225%0.252SS..G310 helixtrans-63.3-29.3-178-59.4169.8000110.8S135 V137 Y163 Q167 N168S135-I165 WeakPolarHBondContact O-CB 3.47Å; S135-I165 PolarHBondContact O-N 3.26Å; V137-I165 HydrophobicContact CG2-CD1 3.52Å; V137-I165 HydrophobicContact CG2-CG1 4.08Å; Y163-I165 HydrophobicContact CD1-CG1 3.79Å; Y163-I165 HydrophobicContact CE1-CB 4.49Å; Y163-I165 HydrophobicContact CE1-CG1 3.89Å; I165-Q167 PolarHBondContact O-N 3.28Å; I165-N168 PolarHBondContact O-N 3.15Å
166S95.6Very high94.3Very high50 Ų5048.2 Ų48.235%0.3525%0.252SS..G310 helixtrans-64.6-13.6-17874.70000113.7R66 D164 N168R66-S166 PolarHBondContact NH1-OG 3.42Å; D164-S166 PolarHBondContact O-N 3.22Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.4Å; D164-S166 VanDerWaalsContact OD1-N 3.17Å; D164-S166 PolarHBondContact OD1-OG 3.29Å; S166-N168 PolarHBondContact O-N 2.65Å; S166-N168 PolarHBondContact O-ND2 2.74Å
167Q93.1Very high93.9Very high74 Ų7448.6 Ų48.635%0.34625%0.254SS..G310 helixtrans-63.5-21.7172.4-69.2-165.661.600113.6R62 D164 I165 I169R62-Q167 VanDerWaalsContact CZ-NE2 3.25Å; R62-Q167 VanDerWaalsContact NH1-NE2 3.11Å; D164-Q167 HydrophobicContact CB-CG 4.18Å; D164-Q167 WeakPolarHBondContact O-CB 3.47Å; D164-Q167 WeakPolarHBondContact O-CG 3.28Å; D164-Q167 PolarHBondContact O-N 2.87Å; I165-Q167 PolarHBondContact O-N 3.28Å; Q167-I169 HydrophobicContact CB-CB 4.39Å; Q167-I169 HydrophobicContact CB-CD1 4.15Å; Q167-I169 HydrophobicContact CB-CG1 4.15Å; Q167-I169 PolarHBondContact O-N 2.76Å; Q167-I169 VanDerWaalsContact O-N 3.12Å
168N90.6Very high93.6Very high154 Ų15448.1 Ų48.182%0.82425%0.25SS*.  trans54.226.8-174.5-58.9-51.1000113.5I165 S166I165-N168 PolarHBondContact O-N 3.15Å; S166-N168 PolarHBondContact O-N 2.65Å; S166-N168 PolarHBondContact O-ND2 2.74Å
169I91.6Very high93.5Very high103 Ų10346.5 Ų46.553%0.52824%0.242SC..PPolyproline II helixtrans-100.4129.4175.1-62.8170.6000107.5Y163 Q167Y163-I169 PolarHBondContact OH-O 2.81Å; Q167-I169 HydrophobicContact CB-CB 4.39Å; Q167-I169 HydrophobicContact CB-CD1 4.15Å; Q167-I169 HydrophobicContact CB-CG1 4.15Å; Q167-I169 PolarHBondContact O-N 2.76Å; Q167-I169 VanDerWaalsContact O-N 3.12Å
170K92.1Very high93.4Very high180 Ų18046.6 Ų46.678%0.78324%0.242SC*.PPolyproline II helixtrans-58.8131.6176.1-174.4-179.5178.5-179.10110
171P94Very high93.4Very high37 Ų3746.4 Ų46.424%0.2424%0.241CC..PPolyproline II helixtrans-62.6140.2179.525.4-33.2000111Y163 D175 F176 I193Y163-P171 HydrophobicContact CE2-CB 3.94Å; Y163-P171 WeakPolarHBondContact OH-CD 3.23Å; P171-D175 HydrophobicContact CB-CB 3.97Å; P171-F176 HydrophobicContact CB-CE2 4.01Å; P171-F176 HydrophobicContact CB-CZ 4.19Å; P171-F176 HydrophobicContact CG-CE2 4.16Å; P171-F176 HydrophobicContact CG-CZ 3.95Å; P171-I193 HydrophobicContact CB-CD1 4Å
172T92.8Very high93.5Very high74 Ų7445.9 Ų45.945%0.45424%0.239SC..PPolyproline II helixtrans-91.3170.9171.466.40000110.2D174 D175 F176T172-D174 PolarHBondContact O-N 2.98Å; T172-D174 VanDerWaalsContact O-N 3.17Å; T172-D174 PolarHBondContact OG1-N 3.28Å; T172-D175 PolarHBondContact N-OD2 3.32Å; T172-D175 WeakPolarHBondContact O-CB 3.19Å; T172-D175 PolarHBondContact O-N 3.47Å; T172-D175 PolarHBondContact OG1-OD2 3.41Å; T172-F176 WeakPolarHBondContact O-CD2 3.46Å
173L90.2Very high93.5Very high103 Ų10346 Ų4654%0.53924%0.24SC..G310 helixtrans-58.1-27.7175-67.4178.9000112.6D175 F176 S432 I433L173-D175 VanDerWaalsContact C-N 3.26Å; L173-D175 PolarHBondContact O-N 3.22Å; L173-F176 PolarHBondContact O-N 2.93Å; L173-S432 PolarHBondContact O-OG 3.39Å; L173-I433 HydrophobicContact CD2-CG2 4.19Å
174D89.6Confident93.5Very high49 Ų4945 Ų4526%0.26224%0.236SC..G310 helixtrans-71-19.2177-67.1-11.3000113.9K55 R59 T172 S432K55-D174 IonicContact NZ-OD2 2.73Å; K55-D174 PolarHBondContact NZ-OD2 3.25Å; R59-D174 PolarHBondContact NH2-O 3.31Å; T172-D174 PolarHBondContact O-N 2.98Å; T172-D174 VanDerWaalsContact O-N 3.17Å; T172-D174 PolarHBondContact OG1-N 3.28Å; D174-S432 VanDerWaalsContact CA-OG 3.27Å; D174-S432 WeakPolarHBondContact CA-OG 3.4Å
175D93.4Very high93.5Very high28 Ų2844.8 Ų44.815%0.1524%0.235CC..G310 helixtrans-86.9-20.2178.2-60.2-54.7000112R59 Y163 P171 T172 L173 T177 I193R59-D175 IonicContact NH2-OD1 3.07Å; R59-D175 PolarHBondContact NH2-OD1 3.27Å; Y163-D175 HydrophobicContact CD2-CB 3.86Å; Y163-D175 HydrophobicContact CE2-CB 3.97Å; P171-D175 HydrophobicContact CB-CB 3.97Å; T172-D175 PolarHBondContact N-OD2 3.32Å; T172-D175 WeakPolarHBondContact O-CB 3.19Å; T172-D175 PolarHBondContact O-N 3.47Å; T172-D175 PolarHBondContact OG1-OD2 3.41Å; L173-D175 VanDerWaalsContact C-N 3.26Å; L173-D175 PolarHBondContact O-N 3.22Å; D175-T177 VanDerWaalsContact C-N 3.32Å; D175-T177 PolarHBondContact O-N 3.24Å; D175-I193 HydrophobicContact CB-CD1 4.15Å; D175-I193 WeakPolarHBondContact O-CD1 3.49Å
176F94Very high93.6Very high7 Ų742.1 Ų42.13%0.03122%0.222CC..SBendtrans-81.781173.1-65.3-82.3000110.2P171 T172 L173 V187 G190 I193 S432 I433P171-F176 HydrophobicContact CB-CE2 4.01Å; P171-F176 HydrophobicContact CB-CZ 4.19Å; P171-F176 HydrophobicContact CG-CE2 4.16Å; P171-F176 HydrophobicContact CG-CZ 3.95Å; T172-F176 WeakPolarHBondContact O-CD2 3.46Å; L173-F176 PolarHBondContact O-N 2.93Å; F176-V187 HydrophobicContact CD1-CG1 4.25Å; F176-V187 WeakPolarHBondContact CD1-O 3.47Å; F176-G190 VanDerWaalsContact CZ-O 3.26Å; F176-G190 WeakPolarHBondContact CZ-O 3.37Å; F176-I193 HydrophobicContact CD1-CD1 3.84Å; F176-I193 HydrophobicContact CD1-CG1 3.77Å; F176-I193 HydrophobicContact CE1-CD1 3.93Å; F176-I193 HydrophobicContact CE1-CG1 3.64Å; F176-I193 HydrophobicContact CG-CD1 4.25Å; F176-I193 HydrophobicContact CZ-CD1 4.37Å; F176-I193 HydrophobicContact CZ-CG1 4.4Å; F176-S432 CarbonylContact O-C 3.51Å; F176-S432 WeakPolarHBondContact O-CA 3.25Å; F176-I433 HydrophobicContact CB-CB 4.35Å; F176-I433 HydrophobicContact CB-CD1 3.67Å; F176-I433 HydrophobicContact CB-CG1 4.03Å; F176-I433 HydrophobicContact CG-CD1 4.36Å; F176-I433 PolarHBondContact O-N 3.45Å
177T90.6Very high93.7Very high7 Ų739.9 Ų39.94%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-124.1163.9-174.5-171.40000112R161 D175R161-T177 HydrophobicContact CB-CG2 3.57Å; R161-T177 WeakPolarHBondContact CD-OG1 3.39Å; R161-T177 HydrophobicContact CG-CG2 3.54Å; R161-T177 PolarHBondContact NE-OG1 3.27Å; D175-T177 VanDerWaalsContact C-N 3.32Å; D175-T177 PolarHBondContact O-N 3.24Å
178G89Confident93.8Very high0 Ų036.3 Ų36.30%019%0.189CC..EExtended strand (participates in β ladder)trans147.4-176.7175.600000112.3P180 M183 G430 T431G178-P180 WeakPolarHBondContact O-CD 3.32Å; G178-M183 VanDerWaalsContact C-CE 3.46Å; G178-M183 WeakPolarHBondContact O-CE 3.31Å; G178-G430 CarbonylContact O-C 3.59Å; G178-G430 VanDerWaalsContact O-CA 3.32Å; G178-G430 WeakPolarHBondContact O-CA 3.33Å; G178-T431 PolarHBondContact N-O 2.93Å; G178-T431 PolarHBondContact O-N 2.96Å
179T92.8Very high94.1Very high2 Ų232.7 Ų32.71%0.01216%0.164CC..  trans-89.6116174.9-54.30000109.8D140 K142 L181 F182 M183D140-T179 WeakPolarHBondContact OD1-CB 3.41Å; D140-T179 PolarHBondContact OD1-N 2.88Å; D140-T179 PolarHBondContact OD1-OG1 3.04Å; K142-T179 HydrophobicContact CD-CG2 4.5Å; K142-T179 WeakPolarHBondContact CD-OG1 3.35Å; K142-T179 PolarHBondContact NZ-OG1 3.34Å; T179-L181 HydrophobicContact CG2-CB 4.45Å; T179-L181 PolarHBondContact O-N 3.5Å; T179-F182 HydrophobicContact CG2-CD2 3.92Å; T179-F182 HydrophobicContact CG2-CE2 4.46Å; T179-F182 PolarHBondContact O-N 2.83Å; T179-M183 WeakPolarHBondContact O-CB 3.13Å; T179-M183 PolarHBondContact O-N 3.43Å
180P94Very high94.3Very high1 Ų129 Ų291%0.00615%0.151CC..THydrogen-bonded Turntrans-52.5-29.7-173.5-31.637.2000115.6G178 F182 T221 E224 F225 A228G178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-F182 VanDerWaalsContact C-N 3.26Å; P180-F182 PolarHBondContact O-N 2.82Å; P180-T221 HydrophobicContact CG-CG2 4.44Å; P180-E224 HydrophobicContact CB-CB 3.74Å; P180-E224 HydrophobicContact CG-CB 4.42Å; P180-F225 HydrophobicContact CG-CD1 4.36Å; P180-F225 HydrophobicContact CG-CD2 3.94Å; P180-F225 HydrophobicContact CG-CE1 4.22Å; P180-F225 HydrophobicContact CG-CE2 3.79Å; P180-F225 HydrophobicContact CG-CG 4.23Å; P180-F225 HydrophobicContact CG-CZ 3.95Å; P180-A228 HydrophobicContact CB-CB 4.46Å; P180-A228 WeakPolarHBondContact O-CB 3.48Å
181L94.3Very high94.5Very high8 Ų825.8 Ų25.84%0.04214%0.139CC..THydrogen-bonded Turntrans-64.3-29176.6-62.1177.8000113.4T179 R215 E217T179-L181 HydrophobicContact CG2-CB 4.45Å; T179-L181 PolarHBondContact O-N 3.5Å; L181-R215 HydrophobicContact CD2-CB 3.94Å; L181-R215 WeakPolarHBondContact O-CD 3.33Å; L181-E217 HydrophobicContact CD1-CG 4.24Å
182F96.7Very high94.6Very high2 Ų225.2 Ų25.21%0.00914%0.138CC..THydrogen-bonded Turntrans-106.6-20.4180-63.5-90000112.7K142 P143 T179 P180 W200 S201 V204 E208K142-F182 HydrophobicContact CB-CD1 4.01Å; K142-F182 HydrophobicContact CB-CD2 3.74Å; K142-F182 HydrophobicContact CB-CE1 4.02Å; K142-F182 HydrophobicContact CB-CE2 3.74Å; K142-F182 HydrophobicContact CB-CG 3.89Å; K142-F182 HydrophobicContact CB-CZ 3.89Å; P143-F182 VanDerWaalsContact CD-CZ 3.43Å; P143-F182 HydrophobicContact CG-CZ 4.32Å; T179-F182 HydrophobicContact CG2-CD2 3.92Å; T179-F182 HydrophobicContact CG2-CE2 4.46Å; T179-F182 PolarHBondContact O-N 2.83Å; P180-F182 VanDerWaalsContact C-N 3.26Å; P180-F182 PolarHBondContact O-N 2.82Å; F182-W200 PolarHBondContact O-NE1 3.18Å; F182-S201 PolarHBondContact O-OG 3.49Å; F182-V204 HydrophobicContact CD1-CB 3.89Å; F182-V204 HydrophobicContact CD1-CG1 3.45Å; F182-V204 VanDerWaalsContact CD1-CG1 3.45Å; F182-V204 HydrophobicContact CE1-CB 4.46Å; F182-V204 HydrophobicContact CE1-CG1 3.73Å; F182-V204 HydrophobicContact CG-CG1 4.2Å; F182-E208 WeakPolarHBondContact CZ-OE2 3.49Å
183M96.5Very high94.8Very high3 Ų322.6 Ų22.62%0.01512%0.121CC..  trans-58.5134.9-171.9-168.9178.9-72.600113G178 T179 V187 A188 W200 F225 A228G178-M183 VanDerWaalsContact C-CE 3.46Å; G178-M183 WeakPolarHBondContact O-CE 3.31Å; T179-M183 WeakPolarHBondContact O-CB 3.13Å; T179-M183 PolarHBondContact O-N 3.43Å; M183-V187 HydrophobicContact CG-CB 4.06Å; M183-V187 HydrophobicContact CG-CG1 3.93Å; M183-V187 HydrophobicContact SD-CG1 4.24Å; M183-A188 HydrophobicContact CG-CB 4Å; M183-A188 WeakPolarHBondContact SD-CA 3.3Å; M183-A188 HydrophobicContact SD-CB 3.55Å; M183-A188 VanDerWaalsContact SD-CB 3.55Å; M183-W200 PolarHBondContact O-NE1 2.76Å; M183-F225 HydrophobicContact CE-CE1 3.76Å; M183-F225 HydrophobicContact CE-CZ 4.23Å; M183-F225 HydrophobicContact SD-CD1 4.2Å; M183-F225 HydrophobicContact SD-CE1 3.72Å; M183-A228 HydrophobicContact CB-CB 4.44Å
184A98.1Very high95.1Very high2 Ų218.7 Ų18.72%0.01710%0.1CC..  trans-68.2145.217500000111.3E186 V187 A188 W200A184-E186 VanDerWaalsContact C-N 3.35Å; A184-E186 WeakPolarHBondContact CB-OE1 3.2Å; A184-E186 PolarHBondContact O-N 2.88Å; A184-V187 HydrophobicContact CB-CB 4.44Å; A184-V187 HydrophobicContact CB-CG2 4.11Å; A184-V187 PolarHBondContact O-N 3.28Å; A184-V187 VanDerWaalsContact O-N 3.15Å; A184-A188 PolarHBondContact O-N 3.01Å; A184-W200 VanDerWaalsContact CA-CD1 3.47Å; A184-W200 HydrophobicContact CB-CB 3.77Å; A184-W200 HydrophobicContact CB-CD2 4.48Å; A184-W200 HydrophobicContact CB-CG 3.79Å
185P97.9Very high95.5Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-60.2-38.6-173.9-28.438.2000114.9R189 W200 A228P185-R189 VanDerWaalsContact CB-NH2 3.29Å; P185-R189 WeakPolarHBondContact O-CB 3.39Å; P185-R189 VanDerWaalsContact O-CG 3.3Å; P185-R189 WeakPolarHBondContact O-CG 3.22Å; P185-R189 PolarHBondContact O-N 3.39Å; P185-R189 PolarHBondContact O-NE 3.37Å; P185-W200 HydrophobicContact CG-CD2 4.36Å; P185-W200 HydrophobicContact CG-CE3 4.14Å; P185-W200 HydrophobicContact CG-CH2 3.6Å; P185-W200 HydrophobicContact CG-CZ2 3.86Å; P185-W200 HydrophobicContact CG-CZ3 3.75Å; P185-A228 WeakPolarHBondContact CA-O 3.16Å
186E98.1Very high95.8Very high1 Ų117.7 Ų17.71%0.0059%0.093CC..Hα-helixtrans-69.3-34.4177.168-73176.200112.4A184 R189 G190 E191 A192 S197 H257 R260A184-E186 VanDerWaalsContact C-N 3.35Å; A184-E186 WeakPolarHBondContact CB-OE1 3.2Å; A184-E186 PolarHBondContact O-N 2.88Å; E186-R189 PolarHBondContact O-N 2.79Å; E186-G190 PolarHBondContact O-N 2.76Å; E186-E191 HydrophobicContact CB-CB 4.41Å; E186-E191 PolarHBondContact O-N 3Å; E186-A192 HydrophobicContact CG-CB 4.49Å; E186-S197 PolarHBondContact OE1-OG 2.89Å; E186-H257 HydrophobicContact CG-CB 3.95Å; E186-R260 IonicContact OE1-CZ 3.62Å; E186-R260 IonicContact OE1-NH1 2.79Å; E186-R260 PolarHBondContact OE1-NH1 3.45Å; E186-R260 IonicContact OE1-NH2 3.1Å; E186-R260 PolarHBondContact OE1-NH2 3.48Å; E186-R260 IonicContact OE2-CZ 3.36Å; E186-R260 IonicContact OE2-NH1 3.74Å; E186-R260 PolarHBondContact OE2-NH1 2.85Å; E186-R260 IonicContact OE2-NH2 2.69Å; E186-R260 PolarHBondContact OE2-NH2 2.64Å
187V98Very high96Very high2 Ų217.4 Ų17.41%0.0129%0.092CC..Hα-helixtrans-68.1-47.9173.4177.10000109.1L139 F176 M183 A184 R189 G190 S197 I433L139-V187 HydrophobicContact CD2-CG1 4.38Å; L139-V187 HydrophobicContact CD2-CG2 4.02Å; F176-V187 HydrophobicContact CD1-CG1 4.25Å; F176-V187 WeakPolarHBondContact CD1-O 3.47Å; M183-V187 HydrophobicContact CG-CB 4.06Å; M183-V187 HydrophobicContact CG-CG1 3.93Å; M183-V187 HydrophobicContact SD-CG1 4.24Å; A184-V187 HydrophobicContact CB-CB 4.44Å; A184-V187 HydrophobicContact CB-CG2 4.11Å; A184-V187 PolarHBondContact O-N 3.28Å; A184-V187 VanDerWaalsContact O-N 3.15Å; V187-R189 PolarHBondContact O-N 2.83Å; V187-R189 VanDerWaalsContact O-N 3.17Å; V187-G190 PolarHBondContact O-N 3.45Å; V187-S197 WeakPolarHBondContact CG2-OG 3.39Å; V187-I433 VanDerWaalsContact O-CD1 3.25Å; V187-I433 WeakPolarHBondContact O-CD1 3.21Å
188A96.5Very high96.4Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-62.7-22.2177.800000114.1M183 A184 A228 R229 I433M183-A188 HydrophobicContact CG-CB 4Å; M183-A188 WeakPolarHBondContact SD-CA 3.3Å; M183-A188 HydrophobicContact SD-CB 3.55Å; M183-A188 VanDerWaalsContact SD-CB 3.55Å; A184-A188 PolarHBondContact O-N 3.01Å; A188-A228 HydrophobicContact CB-CB 3.61Å; A188-R229 HydrophobicContact CB-CG 3.93Å; A188-R229 WeakPolarHBondContact O-CG 3.41Å; A188-R229 PolarHBondContact O-NE 3.05Å; A188-I433 VanDerWaalsContact O-CD1 3.31Å; A188-I433 WeakPolarHBondContact O-CD1 3.37Å
189R96.7Very high96.9Very high77 Ų7717.1 Ų17.129%0.2919%0.09SC..THydrogen-bonded Turntrans-90.9-6.3175.5-76.5-177.2-91.6123.45.8113.3P185 E186 V187 E191 R229P185-R189 VanDerWaalsContact CB-NH2 3.29Å; P185-R189 WeakPolarHBondContact O-CB 3.39Å; P185-R189 VanDerWaalsContact O-CG 3.3Å; P185-R189 WeakPolarHBondContact O-CG 3.22Å; P185-R189 PolarHBondContact O-N 3.39Å; P185-R189 PolarHBondContact O-NE 3.37Å; E186-R189 PolarHBondContact O-N 2.79Å; V187-R189 PolarHBondContact O-N 2.83Å; V187-R189 VanDerWaalsContact O-N 3.17Å; R189-E191 VanDerWaalsContact C-N 3.29Å; R189-E191 HydrophobicContact CB-CG 3.77Å; R189-E191 VanDerWaalsContact CD-OE1 3.3Å; R189-E191 WeakPolarHBondContact CD-OE1 3.36Å; R189-E191 IonicContact CZ-OE1 2.68Å; R189-E191 IonicContact CZ-OE2 3.63Å; R189-E191 IonicContact NE-OE1 2.71Å; R189-E191 IonicContact NH1-OE1 3.93Å; R189-E191 PolarHBondContact NH1-OE1 3.25Å; R189-E191 IonicContact NH1-OE2 3.67Å; R189-E191 PolarHBondContact NH1-OE2 3.45Å; R189-R229 HydrophobicContact CG-CB 3.77Å; R189-R229 HydrophobicContact CG-CG 3.75Å; R189-R229 PolarHBondContact NE-O 3.23Å
190G96Very high97.1Very high26 Ų2617 Ų1727%0.2689%0.09SC..THydrogen-bonded Turntrans70.524.7-176.700000113.4F176 E186 V187F176-G190 VanDerWaalsContact CZ-O 3.26Å; F176-G190 WeakPolarHBondContact CZ-O 3.37Å; E186-G190 PolarHBondContact O-N 2.76Å; V187-G190 PolarHBondContact O-N 3.45Å
191E95.9Very high97.4Very high112 Ų11217.1 Ų17.152%0.5239%0.09SC..SBendtrans-92.7-49.8-171.1-71.3171.6-173.300112.7E186 R189E186-E191 HydrophobicContact CB-CB 4.41Å; E186-E191 PolarHBondContact O-N 3Å; R189-E191 VanDerWaalsContact C-N 3.29Å; R189-E191 HydrophobicContact CB-CG 3.77Å; R189-E191 VanDerWaalsContact CD-OE1 3.3Å; R189-E191 WeakPolarHBondContact CD-OE1 3.36Å; R189-E191 IonicContact CZ-OE1 2.68Å; R189-E191 IonicContact CZ-OE2 3.63Å; R189-E191 IonicContact NE-OE1 2.71Å; R189-E191 IonicContact NH1-OE1 3.93Å; R189-E191 PolarHBondContact NH1-OE1 3.25Å; R189-E191 IonicContact NH1-OE2 3.67Å; R189-E191 PolarHBondContact NH1-OE2 3.45Å
192A96Very high97.6Very high26 Ų2616.7 Ų16.722%0.2159%0.088CC..  trans-153.1146.5-174.400000111.6E186E186-A192 HydrophobicContact CG-CB 4.49Å
193I97.6Very high97.7Very high18 Ų1816.6 Ų16.69%0.0929%0.088CC..  trans-122.7117.2166.9-66.1166.6000106.6V137 L139 Y163 P171 D175 F176V137-I193 HydrophobicContact CB-CG2 4.21Å; V137-I193 HydrophobicContact CG1-CG2 4.36Å; V137-I193 HydrophobicContact CG2-CG2 4.12Å; L139-I193 HydrophobicContact CD1-CD1 4.14Å; L139-I193 HydrophobicContact CD1-CG1 4.46Å; L139-I193 HydrophobicContact CD1-CG2 4.12Å; L139-I193 HydrophobicContact CD2-CG2 4.05Å; L139-I193 HydrophobicContact CG-CG2 4.43Å; Y163-I193 HydrophobicContact CD1-CB 4.16Å; Y163-I193 HydrophobicContact CD1-CD1 4.48Å; Y163-I193 HydrophobicContact CD1-CG2 3.5Å; Y163-I193 HydrophobicContact CD2-CD1 4.36Å; Y163-I193 HydrophobicContact CE1-CB 4.48Å; Y163-I193 HydrophobicContact CE1-CG2 4.26Å; Y163-I193 HydrophobicContact CG-CD1 4.22Å; Y163-I193 HydrophobicContact CG-CG2 3.92Å; P171-I193 HydrophobicContact CB-CD1 4Å; D175-I193 HydrophobicContact CB-CD1 4.15Å; D175-I193 WeakPolarHBondContact O-CD1 3.49Å; F176-I193 HydrophobicContact CD1-CD1 3.84Å; F176-I193 HydrophobicContact CD1-CG1 3.77Å; F176-I193 HydrophobicContact CE1-CD1 3.93Å; F176-I193 HydrophobicContact CE1-CG1 3.64Å; F176-I193 HydrophobicContact CG-CD1 4.25Å; F176-I193 HydrophobicContact CZ-CD1 4.37Å; F176-I193 HydrophobicContact CZ-CG1 4.4Å
194D96.4Very high97.8Very high22 Ų2216.5 Ų16.512%0.1189%0.088CC..  trans-142.2175.3170.571.919.7000110.6V137 R196 S197 H257V137-D194 WeakPolarHBondContact CG1-O 3.39Å; D194-R196 PolarHBondContact O-N 2.95Å; D194-R196 VanDerWaalsContact O-N 3.09Å; D194-R196 VanDerWaalsContact OD1-CA 3.25Å; D194-R196 WeakPolarHBondContact OD1-CA 3.39Å; D194-R196 WeakPolarHBondContact OD1-CB 3.09Å; D194-R196 PolarHBondContact OD1-N 3.39Å; D194-R196 IonicContact OD1-NE 3.49Å; D194-R196 IonicContact OD2-CZ 3.51Å; D194-R196 VanDerWaalsContact OD2-CZ 3.26Å; D194-R196 IonicContact OD2-NE 3.5Å; D194-R196 PolarHBondContact OD2-NE 3Å; D194-R196 IonicContact OD2-NH2 2.76Å; D194-R196 PolarHBondContact OD2-NH2 3.2Å; D194-S197 PolarHBondContact N-OG 2.99Å; D194-S197 WeakPolarHBondContact O-CB 3.39Å; D194-S197 PolarHBondContact O-N 2.86Å; D194-S197 PolarHBondContact O-OG 3.23Å; D194-S197 VanDerWaalsContact O-OG 3.09Å; D194-S197 PolarHBondContact OD1-N 2.93Å; D194-H257 IonicContact OD1-ND1 2.71Å; D194-H257 IonicContact OD2-CE1 2.72Å; D194-H257 PolarHBondContact OD2-CE1 2.8Å; D194-H257 IonicContact OD2-CG 3.81Å; D194-H257 IonicContact OD2-ND1 3.84Å; D194-H257 PolarHBondContact OD2-ND1 3.09Å
195T98.3Very high97.8Very high22 Ų2216.4 Ų16.414%0.1359%0.087CC..Hα-helixtrans-61.9-18.4179.951.10000113.4H132 V137 S197 D198H132-T195 HydrophobicContact CB-CG2 3.85Å; H132-T195 PolarHBondContact CE1-O 3.05Å; H132-T195 WeakPolarHBondContact ND1-CB 3.19Å; V137-T195 HydrophobicContact CG2-CG2 4.18Å; T195-S197 VanDerWaalsContact C-N 3.32Å; T195-D198 PolarHBondContact O-N 2.91Å
196R98.6Very high97.8Very high33 Ų3316.4 Ų16.413%0.1259%0.087CC..Hα-helixtrans-81-11.8175.8-59.5168.1-68.6-159.3-7.7112.8D194 D198 I199 W200 H257 R260 Y262D194-R196 PolarHBondContact O-N 2.95Å; D194-R196 VanDerWaalsContact O-N 3.09Å; D194-R196 VanDerWaalsContact OD1-CA 3.25Å; D194-R196 WeakPolarHBondContact OD1-CA 3.39Å; D194-R196 WeakPolarHBondContact OD1-CB 3.09Å; D194-R196 PolarHBondContact OD1-N 3.39Å; D194-R196 IonicContact OD1-NE 3.49Å; D194-R196 IonicContact OD2-CZ 3.51Å; D194-R196 VanDerWaalsContact OD2-CZ 3.26Å; D194-R196 IonicContact OD2-NE 3.5Å; D194-R196 PolarHBondContact OD2-NE 3Å; D194-R196 IonicContact OD2-NH2 2.76Å; D194-R196 PolarHBondContact OD2-NH2 3.2Å; R196-D198 VanDerWaalsContact C-N 3.29Å; R196-I199 HydrophobicContact CB-CG1 4.5Å; R196-I199 WeakPolarHBondContact O-CB 3.48Å; R196-I199 PolarHBondContact O-N 2.85Å; R196-W200 PolarHBondContact O-N 3.03Å; R196-H257 WeakPolarHBondContact CD-O 3.47Å; R196-R260 HydrophobicContact CB-CB 4.2Å; R196-R260 WeakPolarHBondContact CD-O 3.48Å; R196-R260 WeakPolarHBondContact O-CD 3.39Å; R196-R260 PolarHBondContact O-NH1 3.19Å; R196-Y262 HydrophobicContact CG-CD1 3.92Å; R196-Y262 HydrophobicContact CG-CE1 4.01Å
197S98.5Very high97.8Very high2 Ų216.4 Ų16.41%0.0149%0.087CC..Hα-helixtrans-59.4-42.7166.3-570000110.6E186 V187 D194 T195 I199 W200 S201E186-S197 PolarHBondContact OE1-OG 2.89Å; V187-S197 WeakPolarHBondContact CG2-OG 3.39Å; D194-S197 PolarHBondContact N-OG 2.99Å; D194-S197 WeakPolarHBondContact O-CB 3.39Å; D194-S197 PolarHBondContact O-N 2.86Å; D194-S197 PolarHBondContact O-OG 3.23Å; D194-S197 VanDerWaalsContact O-OG 3.09Å; D194-S197 PolarHBondContact OD1-N 2.93Å; T195-S197 VanDerWaalsContact C-N 3.32Å; S197-I199 VanDerWaalsContact C-N 3.28Å; S197-I199 PolarHBondContact O-N 3.35Å; S197-W200 PolarHBondContact O-N 2.98Å; S197-S201 PolarHBondContact O-N 3.5Å
198D98.7Very high97.8Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-67.5-28.7176.7-70.9-25.4000112.6L128 H132 V137 H138 L139 T195 R196 W200 S201 L202L128-D198 HydrophobicContact CD1-CB 4.43Å; H132-D198 IonicContact CD2-OD2 3.43Å; H132-D198 IonicContact CE1-OD2 2.64Å; H132-D198 IonicContact NE2-OD2 3.53Å; H132-D198 PolarHBondContact NE2-OD2 3.43Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.48Å; H138-D198 PolarHBondContact N-OD1 3.39Å; H138-D198 PolarHBondContact N-OD2 3.38Å; L139-D198 PolarHBondContact N-OD1 3.02Å; T195-D198 PolarHBondContact O-N 2.91Å; R196-D198 VanDerWaalsContact C-N 3.29Å; D198-W200 VanDerWaalsContact C-N 3.31Å; D198-W200 PolarHBondContact O-N 2.84Å; D198-S201 PolarHBondContact O-N 2.89Å; D198-L202 VanDerWaalsContact O-CB 3.31Å; D198-L202 WeakPolarHBondContact O-CB 3.36Å; D198-L202 PolarHBondContact O-N 2.68Å
199I98.8Very high97.8Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-66.1-35.7178-57-52.9000111.6R196 S197 G203 C252 R260 L263 V266R196-I199 HydrophobicContact CB-CG1 4.5Å; R196-I199 WeakPolarHBondContact O-CB 3.48Å; R196-I199 PolarHBondContact O-N 2.85Å; S197-I199 VanDerWaalsContact C-N 3.28Å; S197-I199 PolarHBondContact O-N 3.35Å; I199-G203 PolarHBondContact O-N 3.19Å; I199-C252 HydrophobicContact CG2-CB 4.07Å; I199-R260 HydrophobicContact CG2-CB 4.36Å; I199-L263 HydrophobicContact CD1-CD2 3.37Å; I199-L263 HydrophobicContact CD1-CG 3.67Å; I199-V266 HydrophobicContact CD1-CG2 3.89Å; I199-V266 HydrophobicContact CG1-CG2 4.46Å; I199-V266 HydrophobicContact CG2-CG2 3.91Å
200W98.7Very high97.9Very high0 Ų013.5 Ų13.50%08%0.077CC..Hα-helixtrans-62.2-52.8171.2173.6-79000110.7F182 M183 A184 P185 R196 S197 D198 L202 G203 V204 R215 Y233 L253 Q254F182-W200 PolarHBondContact O-NE1 3.18Å; M183-W200 PolarHBondContact O-NE1 2.76Å; A184-W200 VanDerWaalsContact CA-CD1 3.47Å; A184-W200 HydrophobicContact CB-CB 3.77Å; A184-W200 HydrophobicContact CB-CD2 4.48Å; A184-W200 HydrophobicContact CB-CG 3.79Å; P185-W200 HydrophobicContact CG-CD2 4.36Å; P185-W200 HydrophobicContact CG-CE3 4.14Å; P185-W200 HydrophobicContact CG-CH2 3.6Å; P185-W200 HydrophobicContact CG-CZ2 3.86Å; P185-W200 HydrophobicContact CG-CZ3 3.75Å; R196-W200 PolarHBondContact O-N 3.03Å; S197-W200 PolarHBondContact O-N 2.98Å; D198-W200 VanDerWaalsContact C-N 3.31Å; D198-W200 PolarHBondContact O-N 2.84Å; W200-L202 VanDerWaalsContact C-N 3.26Å; W200-L202 PolarHBondContact O-N 2.82Å; W200-G203 WeakPolarHBondContact O-CA 3.38Å; W200-G203 PolarHBondContact O-N 3.44Å; W200-V204 WeakPolarHBondContact O-CG2 3.23Å; W200-V204 PolarHBondContact O-N 2.88Å; W200-R215 VanDerWaalsContact CZ2-NH2 3.34Å; W200-Y233 AromaticContact CH2-CD1 3.92Å; W200-Y233 HydrophobicContact CH2-CD1 3.92Å; W200-Y233 AromaticContact CH2-CE1 3.99Å; W200-Y233 HydrophobicContact CH2-CE1 3.99Å; W200-Y233 HydrophobicContact CZ2-CD1 4.24Å; W200-L253 HydrophobicContact CD2-CD2 4.14Å; W200-L253 HydrophobicContact CE3-CD2 4.32Å; W200-L253 HydrophobicContact CZ3-CB 4.41Å; W200-Q254 WeakPolarHBondContact CZ3-O 3.31Å
201S98.6Very high97.9Very high3 Ų312.9 Ų12.92%0.0217%0.068CC..Hα-helixtrans-60.4-36.4-178.9-55.20000111.9F182 S197 D198 V204 L205F182-S201 PolarHBondContact O-OG 3.49Å; S197-S201 PolarHBondContact O-N 3.5Å; D198-S201 PolarHBondContact O-N 2.89Å; S201-V204 PolarHBondContact O-N 2.82Å; S201-L205 WeakPolarHBondContact O-CB 3.45Å; S201-L205 PolarHBondContact O-N 2.96Å
202L98.8Very high97.8Very high0 Ų07.6 Ų7.60%04%0.044CC..Hα-helixtrans-61.1-42.9171-172.970.5000111.9I121 V124 I125 L128 D198 W200 L205 V206 F248 L263 V266I121-L202 HydrophobicContact CD1-CD1 4.04Å; I121-L202 HydrophobicContact CG2-CD1 4.2Å; V124-L202 HydrophobicContact CG1-CD1 3.78Å; I125-L202 HydrophobicContact CD1-CD2 4.1Å; I125-L202 HydrophobicContact CG1-CD1 4.48Å; I125-L202 HydrophobicContact CG1-CD2 3.8Å; L128-L202 HydrophobicContact CD1-CD1 4.39Å; D198-L202 VanDerWaalsContact O-CB 3.31Å; D198-L202 WeakPolarHBondContact O-CB 3.36Å; D198-L202 PolarHBondContact O-N 2.68Å; W200-L202 VanDerWaalsContact C-N 3.26Å; W200-L202 PolarHBondContact O-N 2.82Å; L202-L205 WeakPolarHBondContact O-CB 3.46Å; L202-L205 PolarHBondContact O-N 2.86Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.22Å; L202-F248 HydrophobicContact CD2-CZ 4.47Å; L202-L263 HydrophobicContact CD2-CD2 4.48Å; L202-V266 HydrophobicContact CD2-CG1 4.19Å
203G98.7Very high97.6Very high0 Ų07.7 Ų7.70%04%0.042CC..Hα-helixtrans-60.8-42.2173.500000112.9I199 W200 A207I199-G203 PolarHBondContact O-N 3.19Å; W200-G203 WeakPolarHBondContact O-CA 3.38Å; W200-G203 PolarHBondContact O-N 3.44Å; G203-A207 WeakPolarHBondContact O-CB 3.47Å; G203-A207 PolarHBondContact O-N 2.96Å; G203-A207 VanDerWaalsContact O-N 3.11Å
204V98.5Very high97.5Very high1 Ų17.3 Ų7.31%0.0064%0.04CC..Hα-helixtrans-64.4-45.8174.7-176.90000110.6F182 W200 S201 V206 A207 E208 I214 L253F182-V204 HydrophobicContact CD1-CB 3.89Å; F182-V204 HydrophobicContact CD1-CG1 3.45Å; F182-V204 VanDerWaalsContact CD1-CG1 3.45Å; F182-V204 HydrophobicContact CE1-CB 4.46Å; F182-V204 HydrophobicContact CE1-CG1 3.73Å; F182-V204 HydrophobicContact CG-CG1 4.2Å; W200-V204 WeakPolarHBondContact O-CG2 3.23Å; W200-V204 PolarHBondContact O-N 2.88Å; S201-V204 PolarHBondContact O-N 2.82Å; V204-V206 PolarHBondContact O-N 2.91Å; V204-A207 PolarHBondContact O-N 3.48Å; V204-E208 WeakPolarHBondContact O-CB 3.43Å; V204-E208 PolarHBondContact O-N 3.39Å; V204-I214 HydrophobicContact CB-CD1 4.25Å; V204-I214 HydrophobicContact CG1-CD1 3.94Å; V204-I214 HydrophobicContact CG1-CG1 4.02Å; V204-I214 HydrophobicContact CG2-CD1 4.03Å; V204-L253 HydrophobicContact CG2-CD2 3.97Å
205L98.6Very high97.3Very high0 Ų06.9 Ų6.90%04%0.037CC..Hα-helixtrans-56.4-50.3177.7176.561.3000111.5L102 I121 V124 V141 P143 I146 S201 L202 A207 E208 M209L102-L205 HydrophobicContact CD2-CD1 3.93Å; I121-L205 HydrophobicContact CD1-CD2 3.79Å; I121-L205 HydrophobicContact CD1-CG 4Å; V124-L205 HydrophobicContact CG1-CD2 4.43Å; V141-L205 HydrophobicContact CG1-CD2 3.88Å; P143-L205 HydrophobicContact CB-CD1 4.34Å; P143-L205 HydrophobicContact CG-CD1 3.58Å; I146-L205 HydrophobicContact CG1-CD2 4.18Å; S201-L205 WeakPolarHBondContact O-CB 3.45Å; S201-L205 PolarHBondContact O-N 2.96Å; L202-L205 WeakPolarHBondContact O-CB 3.46Å; L202-L205 PolarHBondContact O-N 2.86Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 2.77Å; L205-E208 PolarHBondContact O-N 2.9Å; L205-M209 HydrophobicContact CD1-CG 4.36Å; L205-M209 HydrophobicContact CD1-SD 4.15Å; L205-M209 HydrophobicContact CG-SD 3.95Å; L205-M209 VanDerWaalsContact O-CG 3.25Å; L205-M209 WeakPolarHBondContact O-CG 3.43Å; L205-M209 PolarHBondContact O-N 2.79Å
206V98.7Very high96.7Very high0 Ų015.1 Ų15.10%07%0.065CC..Hα-helixtrans-58.6-45177.6174.70000110.8T117 I121 L202 V204 E208 M209 V210 L245 F248 F249 F271T117-V206 HydrophobicContact CG2-CG1 3.98Å; I121-V206 HydrophobicContact CB-CG2 4.43Å; I121-V206 HydrophobicContact CD1-CG2 3.6Å; I121-V206 HydrophobicContact CG1-CG2 3.61Å; I121-V206 HydrophobicContact CG2-CG2 4.03Å; L202-V206 WeakPolarHBondContact O-CG2 3.46Å; L202-V206 PolarHBondContact O-N 3.22Å; V204-V206 PolarHBondContact O-N 2.91Å; V206-E208 VanDerWaalsContact C-N 3.35Å; V206-M209 PolarHBondContact O-N 2.71Å; V206-V210 WeakPolarHBondContact O-CG2 3.48Å; V206-V210 PolarHBondContact O-N 2.66Å; V206-V210 VanDerWaalsContact O-N 3.15Å; V206-L245 HydrophobicContact CG1-CD1 3.7Å; V206-F248 HydrophobicContact CB-CE1 3.9Å; V206-F248 HydrophobicContact CG1-CD1 4.22Å; V206-F248 HydrophobicContact CG1-CE1 4Å; V206-F248 HydrophobicContact CG2-CE1 3.56Å; V206-F248 HydrophobicContact CG2-CZ 3.81Å; V206-F249 HydrophobicContact CB-CE1 4Å; V206-F249 HydrophobicContact CG1-CE1 3.67Å; V206-F249 HydrophobicContact CG1-CZ 3.95Å; V206-F271 HydrophobicContact CG1-CE1 4.41Å
207A98.3Very high96Very high0 Ų017.9 Ų17.90%08%0.08CC..Hα-helixtrans-66.2-38.5-179.800000112G203 V204 L205 V210 T211 I214 I235 F249G203-A207 WeakPolarHBondContact O-CB 3.47Å; G203-A207 PolarHBondContact O-N 2.96Å; G203-A207 VanDerWaalsContact O-N 3.11Å; V204-A207 PolarHBondContact O-N 3.48Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 2.77Å; A207-V210 PolarHBondContact O-N 3.09Å; A207-T211 WeakPolarHBondContact O-CA 3.49Å; A207-T211 PolarHBondContact O-N 2.65Å; A207-T211 PolarHBondContact O-OG1 2.89Å; A207-I214 HydrophobicContact CB-CD1 4.32Å; A207-I214 HydrophobicContact CB-CG2 3.51Å; A207-I235 HydrophobicContact CB-CD1 4.16Å; A207-I235 HydrophobicContact CB-CG1 4.28Å; A207-F249 HydrophobicContact CB-CD1 4.33Å; A207-F249 HydrophobicContact CB-CE1 3.6Å; A207-F249 HydrophobicContact CB-CZ 3.83Å
208E96.3Very high95.3Very high4 Ų418.9 Ų18.92%0.0199%0.088CC..Hα-helixtrans-63.7-43.6174.8-170.8160.713600111.3F182 V204 L205 V206 V210 G212 P213 F423 R425F182-E208 WeakPolarHBondContact CZ-OE2 3.49Å; V204-E208 WeakPolarHBondContact O-CB 3.43Å; V204-E208 PolarHBondContact O-N 3.39Å; L205-E208 PolarHBondContact O-N 2.9Å; V206-E208 VanDerWaalsContact C-N 3.35Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 2.89Å; E208-G212 WeakPolarHBondContact CA-O 3.33Å; E208-G212 WeakPolarHBondContact O-CA 3.35Å; E208-G212 PolarHBondContact O-N 3.01Å; E208-P213 HydrophobicContact CG-CG 4.43Å; E208-F423 HydrophobicContact CG-CD1 4.39Å; E208-F423 HydrophobicContact CG-CE1 4Å; E208-F423 VanDerWaalsContact O-CE1 3.23Å; E208-F423 WeakPolarHBondContact O-CE1 3.46Å; E208-F423 WeakPolarHBondContact O-CZ 3.35Å; E208-R425 VanDerWaalsContact CD-NH1 3.33Å; E208-R425 IonicContact OE1-CZ 3.93Å; E208-R425 IonicContact OE1-NH1 2.93Å; E208-R425 PolarHBondContact OE1-NH1 3.03Å; E208-R425 IonicContact OE1-NH2 3.46Å; E208-R425 PolarHBondContact OE1-NH2 3.24Å; E208-R425 IonicContact OE2-CZ 3.17Å; E208-R425 IonicContact OE2-NH1 3.8Å; E208-R425 PolarHBondContact OE2-NH1 3.17Å; E208-R425 IonicContact OE2-NH2 3.18Å
209M97.7Very high94.6Very high0 Ų028.2 Ų28.20%013%0.132CC..Hα-helixtrans-60.9-39.8177.9-67.4163.374.400112.9L102 L106 C111 L112 T117 Y120 I121 L205 V206L102-M209 HydrophobicContact CD1-CE 4.34Å; L102-M209 HydrophobicContact CD2-CE 4.11Å; L102-M209 HydrophobicContact CD2-CG 4.28Å; L102-M209 HydrophobicContact CD2-SD 3.89Å; L106-M209 HydrophobicContact CD1-CG 4.25Å; L106-M209 HydrophobicContact CD2-CB 4.3Å; L106-M209 HydrophobicContact CD2-CG 4.28Å; C111-M209 CarbonylContact C-O 3.32Å; C111-M209 VanDerWaalsContact CA-O 3.28Å; C111-M209 WeakPolarHBondContact CA-O 3.04Å; L112-M209 HydrophobicContact CD1-CB 4.44Å; L112-M209 HydrophobicContact CD1-CE 3.71Å; L112-M209 PolarHBondContact N-O 3.47Å; T117-M209 HydrophobicContact CG2-CB 4.14Å; T117-M209 HydrophobicContact CG2-CE 3.81Å; T117-M209 HydrophobicContact CG2-SD 4.03Å; Y120-M209 HydrophobicContact CD2-CE 4.14Å; Y120-M209 HydrophobicContact CG-CE 4.43Å; I121-M209 HydrophobicContact CD1-CE 4.44Å; I121-M209 HydrophobicContact CD1-SD 3.71Å; I121-M209 HydrophobicContact CG1-CE 4.24Å; I121-M209 HydrophobicContact CG1-SD 4.01Å; L205-M209 HydrophobicContact CD1-CG 4.36Å; L205-M209 HydrophobicContact CD1-SD 4.15Å; L205-M209 HydrophobicContact CG-SD 3.95Å; L205-M209 VanDerWaalsContact O-CG 3.25Å; L205-M209 WeakPolarHBondContact O-CG 3.43Å; L205-M209 PolarHBondContact O-N 2.79Å; V206-M209 PolarHBondContact O-N 2.71Å
210V97.8Very high94Very high15 Ų1532 Ų329%0.09115%0.152CC..Hα-helixtrans-94.9-24.1-175-63.80000114.7T117 V206 A207 E208 L241 L245 F249T117-V210 HydrophobicContact CG2-CG1 4.01Å; T117-V210 VanDerWaalsContact OG1-CG1 3.29Å; T117-V210 WeakPolarHBondContact OG1-CG1 3.41Å; V206-V210 WeakPolarHBondContact O-CG2 3.48Å; V206-V210 PolarHBondContact O-N 2.66Å; V206-V210 VanDerWaalsContact O-N 3.15Å; A207-V210 PolarHBondContact O-N 3.09Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 2.89Å; V210-L241 HydrophobicContact CG2-CD1 4.32Å; V210-L245 HydrophobicContact CB-CD2 4.47Å; V210-L245 HydrophobicContact CG1-CD2 4.23Å; V210-L245 HydrophobicContact CG2-CD2 4Å; V210-F249 HydrophobicContact CG2-CZ 4.04Å
211T96Very high93.4Very high13 Ų1335.3 Ų35.38%0.0817%0.173CC..Hα-helixtrans-131.9-4.8-17367.60000114.9A207 I235 R236 L241A207-T211 WeakPolarHBondContact O-CA 3.49Å; A207-T211 PolarHBondContact O-N 2.65Å; A207-T211 PolarHBondContact O-OG1 2.89Å; T211-I235 HydrophobicContact CG2-CG2 3.9Å; T211-R236 VanDerWaalsContact CG2-O 3.32Å; T211-R236 WeakPolarHBondContact CG2-O 3.34Å; T211-L241 HydrophobicContact CG2-CD1 3.82Å; T211-L241 HydrophobicContact CG2-CD2 4.19Å; T211-L241 HydrophobicContact CG2-CG 4.44Å
212G94Very high92.9Very high0 Ų038.4 Ų38.40%020%0.198CC..SBendtrans79.9-177.4-169.400000113.2E208 I214E208-G212 WeakPolarHBondContact CA-O 3.33Å; E208-G212 WeakPolarHBondContact O-CA 3.35Å; E208-G212 PolarHBondContact O-N 3.01Å; G212-I214 PolarHBondContact O-N 3Å
213P93.1Very high92.6Very high28 Ų2841.9 Ų41.918%0.18221%0.214CC..  trans-56.7131.5-172.1-27.134.9000113.6E208E208-P213 HydrophobicContact CG-CG 4.43Å
214I93.9Very high92.3Very high10 Ų1042.7 Ų42.75%0.05122%0.218CC..SBendtrans-96.4-14.6-176.971.4173000113.7V204 A207 G212 Y233 S234 I235 L253V204-I214 HydrophobicContact CB-CD1 4.25Å; V204-I214 HydrophobicContact CG1-CD1 3.94Å; V204-I214 HydrophobicContact CG1-CG1 4.02Å; V204-I214 HydrophobicContact CG2-CD1 4.03Å; A207-I214 HydrophobicContact CB-CD1 4.32Å; A207-I214 HydrophobicContact CB-CG2 3.51Å; G212-I214 PolarHBondContact O-N 3Å; I214-Y233 HydrophobicContact CD1-CD2 4.31Å; I214-Y233 HydrophobicContact CD1-CG 4.17Å; I214-S234 WeakPolarHBondContact CA-O 3.17Å; I214-S234 PolarHBondContact O-N 3.29Å; I214-I235 HydrophobicContact CG2-CG1 3.98Å; I214-L253 HydrophobicContact CD1-CD1 4.3Å
215R92.9Very high92Very high13 Ų1343.3 Ų43.35%0.04922%0.221CC..SBendtrans-115.8133.3167.1-65.1-173.1-168.8-11426.7107.4L181 W200 R227 A228 T232L181-R215 HydrophobicContact CD2-CB 3.94Å; L181-R215 WeakPolarHBondContact O-CD 3.33Å; W200-R215 VanDerWaalsContact CZ2-NH2 3.34Å; R215-R227 PolarHBondContact NH1-O 2.75Å; R215-A228 PolarHBondContact NH2-O 2.83Å; R215-T232 PolarHBondContact NH1-O 2.82Å
216R85.2Confident91.8Very high195 Ų19548.7 Ų48.774%0.73624%0.244SC*.  trans-75.2143.8172.5-64.6-176.8-177.6169.60.2108.4R227R216-R227 PolarHBondContact O-NH1 3.39Å
217E84.2Confident91.6Very high91 Ų9152.6 Ų52.643%0.42526%0.259SS..  trans-52.6145.2160.7-71.7168.3-118.300109.2L181 E224 R227 R425 P426L181-E217 HydrophobicContact CD1-CG 4.24Å; E217-E224 WeakPolarHBondContact CA-OE1 3.45Å; E217-R227 PolarHBondContact O-NH1 3.48Å; E217-R227 VanDerWaalsContact O-NH1 3.15Å; E217-R425 WeakPolarHBondContact OE1-CB 3.1Å; E217-P426 WeakPolarHBondContact OE2-CD 3.03Å
218A84.4Confident91.5Very high23 Ų2352.6 Ų52.619%0.1926%0.259CS..  trans-104.8171.2171.600000109.9N220 E223 E224A218-N220 PolarHBondContact O-N 2.97Å; A218-E223 HydrophobicContact CB-CB 3.52Å; A218-E224 HydrophobicContact CB-CG 3.63Å; A218-E224 PolarHBondContact N-OE1 3.09Å
219E84.3Confident91.5Very high197 Ų19757.9 Ų57.992%0.92128%0.278SS*.SBendtrans-64-25.6177.3-64.7175.9-178.900112.3
220N86Confident91.5Very high78 Ų7862.7 Ų62.742%0.41730%0.302SS..SBendtrans-149.4160.3178.86062000111.4A218 A222 E223 E224A218-N220 PolarHBondContact O-N 2.97Å; N220-A222 PolarHBondContact O-N 3.15Å; N220-A222 WeakPolarHBondContact OD1-CB 3.48Å; N220-A222 PolarHBondContact OD1-N 2.86Å; N220-E223 PolarHBondContact O-N 3.1Å; N220-E223 PolarHBondContact OD1-N 3.49Å; N220-E224 PolarHBondContact O-N 3.22Å
221T85.7Confident91.4Very high71 Ų7162.2 Ų62.244%0.43630%0.301SS..Hα-helixtrans-58.9-32.2-178.7-42.20000112.8P180 E223 E224 F225P180-T221 HydrophobicContact CG-CG2 4.44Å; T221-E223 PolarHBondContact O-N 3.19Å; T221-E224 WeakPolarHBondContact O-CB 3.44Å; T221-E224 PolarHBondContact O-N 3.4Å; T221-F225 HydrophobicContact CG2-CD2 3.82Å; T221-F225 HydrophobicContact CG2-CE2 3.74Å; T221-F225 WeakPolarHBondContact O-CD2 3.46Å; T221-F225 PolarHBondContact O-N 3.28Å
222A88.9Confident91.4Very high67 Ų6765.2 Ų65.255%0.55432%0.319SS*.Hα-helixtrans-64.4-41.4-179.300000112.3N220 E224 F225 K226N220-A222 PolarHBondContact O-N 3.15Å; N220-A222 WeakPolarHBondContact OD1-CB 3.48Å; N220-A222 PolarHBondContact OD1-N 2.86Å; A222-E224 VanDerWaalsContact C-N 3.33Å; A222-F225 PolarHBondContact O-N 3.39Å; A222-K226 WeakPolarHBondContact O-CB 3.47Å; A222-K226 PolarHBondContact O-N 3.43Å
223E91.9Very high91.4Very high73 Ų7369.5 Ų69.534%0.34134%0.335SS..Hα-helixtrans-69.7-30.4174.6-78.6-64.9137.700112.3A218 N220 T221 K226 R227A218-E223 HydrophobicContact CB-CB 3.52Å; N220-E223 PolarHBondContact O-N 3.1Å; N220-E223 PolarHBondContact OD1-N 3.49Å; T221-E223 PolarHBondContact O-N 3.19Å; E223-K226 PolarHBondContact O-N 2.83Å; E223-K226 WeakPolarHBondContact OE1-CD 3.35Å; E223-K226 IonicContact OE1-NZ 3.55Å; E223-K226 PolarHBondContact OE1-NZ 3.21Å; E223-K226 IonicContact OE2-NZ 3.76Å; E223-K226 PolarHBondContact OE2-NZ 3.18Å; E223-R227 WeakPolarHBondContact O-CG 3.42Å; E223-R227 PolarHBondContact O-N 2.89Å
224E92Very high91.6Very high17 Ų1772.2 Ų72.28%0.07936%0.355CS..Hα-helixtrans-65.9-46.3171.3-56.9-169.6145.300111.5P180 E217 A218 N220 T221 A222 K226 R227 A228P180-E224 HydrophobicContact CB-CB 3.74Å; P180-E224 HydrophobicContact CG-CB 4.42Å; E217-E224 WeakPolarHBondContact CA-OE1 3.45Å; A218-E224 HydrophobicContact CB-CG 3.63Å; A218-E224 PolarHBondContact N-OE1 3.09Å; N220-E224 PolarHBondContact O-N 3.22Å; T221-E224 WeakPolarHBondContact O-CB 3.44Å; T221-E224 PolarHBondContact O-N 3.4Å; A222-E224 VanDerWaalsContact C-N 3.33Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 2.93Å; E224-R227 PolarHBondContact O-N 3.3Å; E224-A228 WeakPolarHBondContact O-CB 3.32Å; E224-A228 PolarHBondContact O-N 3.07Å
225F92.5Very high91.8Very high15 Ų1572.4 Ų72.47%0.06636%0.356CS..Hα-helixtrans-60.3-40.7174.1-90.8-73.7000112.3P180 M183 T221 A222 R227 A228 R229 T431 I433P180-F225 HydrophobicContact CG-CD1 4.36Å; P180-F225 HydrophobicContact CG-CD2 3.94Å; P180-F225 HydrophobicContact CG-CE1 4.22Å; P180-F225 HydrophobicContact CG-CE2 3.79Å; P180-F225 HydrophobicContact CG-CG 4.23Å; P180-F225 HydrophobicContact CG-CZ 3.95Å; M183-F225 HydrophobicContact CE-CE1 3.76Å; M183-F225 HydrophobicContact CE-CZ 4.23Å; M183-F225 HydrophobicContact SD-CD1 4.2Å; M183-F225 HydrophobicContact SD-CE1 3.72Å; T221-F225 HydrophobicContact CG2-CD2 3.82Å; T221-F225 HydrophobicContact CG2-CE2 3.74Å; T221-F225 WeakPolarHBondContact O-CD2 3.46Å; T221-F225 PolarHBondContact O-N 3.28Å; A222-F225 PolarHBondContact O-N 3.39Å; F225-R227 VanDerWaalsContact C-N 3.35Å; F225-R227 PolarHBondContact O-N 2.91Å; F225-A228 WeakPolarHBondContact O-CB 3.18Å; F225-A228 PolarHBondContact O-N 3.03Å; F225-A228 VanDerWaalsContact O-N 3.15Å; F225-R229 WeakPolarHBondContact O-CB 3.46Å; F225-R229 VanDerWaalsContact O-CG 3.29Å; F225-R229 WeakPolarHBondContact O-CG 3.46Å; F225-R229 PolarHBondContact O-N 2.99Å; F225-T431 WeakPolarHBondContact CE2-OG1 3.34Å; F225-T431 VanDerWaalsContact CZ-OG1 3.27Å; F225-T431 WeakPolarHBondContact CZ-OG1 3.23Å; F225-I433 HydrophobicContact CE1-CG1 4.03Å
226K94.3Very high91.8Very high112 Ų11277.9 Ų77.949%0.48738%0.377SS..Hα-helixtrans-59.6-45.2175.5-178.6-178.5172.6-169.40111.4A222 E223 E224 A228 M230A222-K226 WeakPolarHBondContact O-CB 3.47Å; A222-K226 PolarHBondContact O-N 3.43Å; E223-K226 PolarHBondContact O-N 2.83Å; E223-K226 WeakPolarHBondContact OE1-CD 3.35Å; E223-K226 IonicContact OE1-NZ 3.55Å; E223-K226 PolarHBondContact OE1-NZ 3.21Å; E223-K226 IonicContact OE2-NZ 3.76Å; E223-K226 PolarHBondContact OE2-NZ 3.18Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 2.93Å; K226-A228 VanDerWaalsContact C-N 3.35Å; K226-M230 WeakPolarHBondContact O-CB 3.43Å; K226-M230 VanDerWaalsContact O-CG 3.23Å; K226-M230 WeakPolarHBondContact O-CG 3.42Å; K226-M230 PolarHBondContact O-N 3.23Å; K226-M230 VanDerWaalsContact O-N 3.1Å
227R94.5Very high92.2Very high82 Ų8269.6 Ų69.631%0.30935%0.352SS..Hα-helixtrans-61.4-45.3173-68.4171.1-173.4167.66.4110.6R215 R216 E217 E223 E224 F225 R229 M230 G231 T232R215-R227 PolarHBondContact NH1-O 2.75Å; R216-R227 PolarHBondContact O-NH1 3.39Å; E217-R227 PolarHBondContact O-NH1 3.48Å; E217-R227 VanDerWaalsContact O-NH1 3.15Å; E223-R227 WeakPolarHBondContact O-CG 3.42Å; E223-R227 PolarHBondContact O-N 2.89Å; E224-R227 PolarHBondContact O-N 3.3Å; F225-R227 VanDerWaalsContact C-N 3.35Å; F225-R227 PolarHBondContact O-N 2.91Å; R227-R229 PolarHBondContact O-N 3.27Å; R227-M230 CarbonylContact O-C 3.6Å; R227-M230 PolarHBondContact O-N 3.37Å; R227-G231 PolarHBondContact O-N 3.1Å; R227-T232 PolarHBondContact O-N 3.45Å; R227-T232 PolarHBondContact O-OG1 3.25Å
228A96Very high92.8Very high0 Ų068.4 Ų68.40%035%0.348CS..Hα-helixtrans-55.1-53.2178.700000111.4P180 M183 P185 A188 R215 E224 F225 K226 M230 G231P180-A228 HydrophobicContact CB-CB 4.46Å; P180-A228 WeakPolarHBondContact O-CB 3.48Å; M183-A228 HydrophobicContact CB-CB 4.44Å; P185-A228 WeakPolarHBondContact CA-O 3.16Å; A188-A228 HydrophobicContact CB-CB 3.61Å; R215-A228 PolarHBondContact NH2-O 2.83Å; E224-A228 WeakPolarHBondContact O-CB 3.32Å; E224-A228 PolarHBondContact O-N 3.07Å; F225-A228 WeakPolarHBondContact O-CB 3.18Å; F225-A228 PolarHBondContact O-N 3.03Å; F225-A228 VanDerWaalsContact O-N 3.15Å; K226-A228 VanDerWaalsContact C-N 3.35Å; A228-M230 VanDerWaalsContact C-N 3.29Å; A228-M230 PolarHBondContact O-N 2.92Å; A228-G231 PolarHBondContact O-N 3.2Å
229R96.7Very high93.4Very high115 Ų11576.6 Ų76.643%0.43438%0.38SS..Hα-helixtrans-53.9-42.8175.3-71176.7-157.9173.910.7112.8A188 R189 F225 R227 G231A188-R229 HydrophobicContact CB-CG 3.93Å; A188-R229 WeakPolarHBondContact O-CG 3.41Å; A188-R229 PolarHBondContact O-NE 3.05Å; R189-R229 HydrophobicContact CG-CB 3.77Å; R189-R229 HydrophobicContact CG-CG 3.75Å; R189-R229 PolarHBondContact NE-O 3.23Å; F225-R229 WeakPolarHBondContact O-CB 3.46Å; F225-R229 VanDerWaalsContact O-CG 3.29Å; F225-R229 WeakPolarHBondContact O-CG 3.46Å; F225-R229 PolarHBondContact O-N 2.99Å; R227-R229 PolarHBondContact O-N 3.27Å; R229-G231 PolarHBondContact O-N 3.3Å
230M96.5Very high94Very high102 Ų10277.4 Ų77.450%0.50238%0.375SS..Hα-helixtrans-76.1-7.5178.1-65.5-59.8-69.800113.5K226 R227 A228 T232 R255K226-M230 WeakPolarHBondContact O-CB 3.43Å; K226-M230 VanDerWaalsContact O-CG 3.23Å; K226-M230 WeakPolarHBondContact O-CG 3.42Å; K226-M230 PolarHBondContact O-N 3.23Å; K226-M230 VanDerWaalsContact O-N 3.1Å; R227-M230 CarbonylContact O-C 3.6Å; R227-M230 PolarHBondContact O-N 3.37Å; A228-M230 VanDerWaalsContact C-N 3.29Å; A228-M230 PolarHBondContact O-N 2.92Å; M230-T232 HydrophobicContact CB-CG2 3.89Å; M230-T232 PolarHBondContact O-N 2.92Å; M230-T232 VanDerWaalsContact O-N 3.09Å; M230-R255 PolarHBondContact O-NH1 3.5Å
231G96.5Very high94.5Very high5 Ų575.1 Ų75.15%0.05236%0.362CS..THydrogen-bonded Turntrans5823.8-178.400000114.5R227 A228 R229 Y233R227-G231 PolarHBondContact O-N 3.1Å; A228-G231 PolarHBondContact O-N 3.2Å; R229-G231 PolarHBondContact O-N 3.3Å; G231-Y233 WeakPolarHBondContact O-CD1 3.48Å
232T95.3Very high95.1Very high75 Ų7573.5 Ų73.546%0.4635%0.354SS..  trans-81.8123.6-176.349.30000112.1R215 R227 M230R215-T232 PolarHBondContact NH1-O 2.82Å; R227-T232 PolarHBondContact O-N 3.45Å; R227-T232 PolarHBondContact O-OG1 3.25Å; M230-T232 HydrophobicContact CB-CG2 3.89Å; M230-T232 PolarHBondContact O-N 2.92Å; M230-T232 VanDerWaalsContact O-N 3.09Å
233Y95.7Very high95.6Very high90 Ų9076.9 Ų76.935%0.35336%0.356SS..  trans-142.9164.7177.763-95.8000111.1W200 I214 G231 I235 L253W200-Y233 AromaticContact CH2-CD1 3.92Å; W200-Y233 HydrophobicContact CH2-CD1 3.92Å; W200-Y233 AromaticContact CH2-CE1 3.99Å; W200-Y233 HydrophobicContact CH2-CE1 3.99Å; W200-Y233 HydrophobicContact CZ2-CD1 4.24Å; I214-Y233 HydrophobicContact CD1-CD2 4.31Å; I214-Y233 HydrophobicContact CD1-CG 4.17Å; G231-Y233 WeakPolarHBondContact O-CD1 3.48Å; Y233-I235 HydrophobicContact CD2-CG1 4.09Å; Y233-I235 HydrophobicContact CE2-CD1 4.29Å; Y233-I235 HydrophobicContact CE2-CG1 4.27Å; Y233-L253 HydrophobicContact CD2-CD1 4.17Å; Y233-L253 HydrophobicContact CE1-CB 3.79Å; Y233-L253 HydrophobicContact CE1-CD1 4.28Å; Y233-L253 HydrophobicContact CE2-CB 4.46Å; Y233-L253 HydrophobicContact CE2-CD1 3.78Å; Y233-L253 WeakPolarHBondContact OH-CB 3.22Å; Y233-L253 PolarHBondContact OH-O 2.66Å
234S96.7Very high95.9Very high85 Ų8575.1 Ų75.159%0.59435%0.351SS*.  trans-142.1114.6173.5-172.10000110.8I214I214-S234 WeakPolarHBondContact CA-O 3.17Å; I214-S234 PolarHBondContact O-N 3.29Å
235I97Very high96.2Very high14 Ų1474.3 Ų74.37%0.07235%0.347CS..  trans-87.9112.8176.1-56.9179.5000108.9A207 T211 I214 Y233 G237 L238 L241 F249 L253A207-I235 HydrophobicContact CB-CD1 4.16Å; A207-I235 HydrophobicContact CB-CG1 4.28Å; T211-I235 HydrophobicContact CG2-CG2 3.9Å; I214-I235 HydrophobicContact CG2-CG1 3.98Å; Y233-I235 HydrophobicContact CD2-CG1 4.09Å; Y233-I235 HydrophobicContact CE2-CD1 4.29Å; Y233-I235 HydrophobicContact CE2-CG1 4.27Å; I235-G237 PolarHBondContact O-N 3.37Å; I235-L238 HydrophobicContact CB-CB 4.15Å; I235-L238 HydrophobicContact CB-CD1 4.4Å; I235-L238 HydrophobicContact CD1-CD1 4.27Å; I235-L238 HydrophobicContact CG2-CB 4.1Å; I235-L238 HydrophobicContact CG2-CD1 4.13Å; I235-L238 PolarHBondContact O-N 3.38Å; I235-L241 HydrophobicContact CG2-CD1 4.3Å; I235-F249 HydrophobicContact CD1-CB 4.01Å; I235-F249 HydrophobicContact CD1-CD1 4.01Å; I235-F249 HydrophobicContact CD1-CD2 3.62Å; I235-F249 HydrophobicContact CD1-CE1 4.4Å; I235-F249 HydrophobicContact CD1-CE2 4.01Å; I235-F249 HydrophobicContact CD1-CG 3.62Å; I235-F249 HydrophobicContact CD1-CZ 4.4Å; I235-F249 HydrophobicContact CG2-CE2 4.43Å; I235-L253 HydrophobicContact CD1-CD1 3.91Å
236R93.2Very high96.5Very high128 Ų12875.2 Ų75.248%0.48335%0.351SS..THydrogen-bonded Turntrans-66.3127.6-178.5-63.4-176.8-170.5-170.75.1110.2T211 L238 L422T211-R236 VanDerWaalsContact CG2-O 3.32Å; T211-R236 WeakPolarHBondContact CG2-O 3.34Å; R236-L238 VanDerWaalsContact C-N 3.25Å; R236-L238 PolarHBondContact O-N 2.85Å; R236-L422 VanDerWaalsContact NH1-CD1 3.33Å
237G94Very high96.7Very high22 Ų2272.2 Ų72.223%0.22735%0.345CS..THydrogen-bonded Turntrans6821.4176.100000114.7I235 K239 R240I235-G237 PolarHBondContact O-N 3.37Å; G237-K239 PolarHBondContact O-N 2.8Å; G237-R240 WeakPolarHBondContact O-CB 3.48Å; G237-R240 PolarHBondContact O-N 3.4Å
238L96.9Very high96.9Very high65 Ų6568.3 Ų68.334%0.3433%0.33SS..G310 helixtrans-45.5-40.6179.8179.160.6000113.8I235 R236 R240 L241 Q246 F249I235-L238 HydrophobicContact CB-CB 4.15Å; I235-L238 HydrophobicContact CB-CD1 4.4Å; I235-L238 HydrophobicContact CD1-CD1 4.27Å; I235-L238 HydrophobicContact CG2-CB 4.1Å; I235-L238 HydrophobicContact CG2-CD1 4.13Å; I235-L238 PolarHBondContact O-N 3.38Å; R236-L238 VanDerWaalsContact C-N 3.25Å; R236-L238 PolarHBondContact O-N 2.85Å; L238-R240 PolarHBondContact O-N 3.24Å; L238-L241 HydrophobicContact CD1-CD1 4.26Å; L238-L241 WeakPolarHBondContact O-CB 3.32Å; L238-L241 PolarHBondContact O-N 3.13Å; L238-Q246 HydrophobicContact CD1-CG 3.94Å; L238-Q246 HydrophobicContact CG-CG 4.39Å; L238-Q246 WeakPolarHBondContact O-CG 3.28Å; L238-Q246 PolarHBondContact O-NE2 2.7Å; L238-F249 HydrophobicContact CD1-CD2 3.71Å; L238-F249 HydrophobicContact CD1-CE2 4.23Å
239K96.5Very high97.1Very high196 Ų19668.5 Ų68.585%0.85233%0.331SS*.G310 helixtrans-64.1-22.7179.5-65.7-174.9179.3-178.50114G237G237-K239 PolarHBondContact O-N 2.8Å
240R96.8Very high97.1Very high214 Ų21466.5 Ų66.581%0.80833%0.334SS*.G310 helixtrans-87.4-14.7178.8-62.8-171.2-65.7-99.33113.4G237 L238G237-R240 WeakPolarHBondContact O-CB 3.48Å; G237-R240 PolarHBondContact O-N 3.4Å; L238-R240 PolarHBondContact O-N 3.24Å
241L97.8Very high97.2Very high29 Ų2962.7 Ų62.715%0.15232%0.319CS..SBendtrans-74.5162.9176.9-59179000110.8V210 T211 I235 L238 L245 Q246 F249V210-L241 HydrophobicContact CG2-CD1 4.32Å; T211-L241 HydrophobicContact CG2-CD1 3.82Å; T211-L241 HydrophobicContact CG2-CD2 4.19Å; T211-L241 HydrophobicContact CG2-CG 4.44Å; I235-L241 HydrophobicContact CG2-CD1 4.3Å; L238-L241 HydrophobicContact CD1-CD1 4.26Å; L238-L241 WeakPolarHBondContact O-CB 3.32Å; L238-L241 PolarHBondContact O-N 3.13Å; L241-L245 HydrophobicContact CB-CD2 4.23Å; L241-L245 HydrophobicContact CD1-CD2 3.99Å; L241-L245 HydrophobicContact CD1-CG 4.38Å; L241-L245 HydrophobicContact CD2-CD2 4.31Å; L241-L245 HydrophobicContact CG-CD2 4.42Å; L241-Q246 HydrophobicContact CB-CG 4.48Å; L241-Q246 PolarHBondContact O-NE2 2.95Å; L241-F249 HydrophobicContact CD1-CE2 3.67Å; L241-F249 HydrophobicContact CD1-CZ 4.49Å
242S98.4Very high97.3Very high37 Ų3762.4 Ų62.426%0.25932%0.316SS..  trans-62.5152.1177.679.70000112.1E114 L245 Q246E114-S242 WeakPolarHBondContact OE1-CB 3.11Å; E114-S242 PolarHBondContact OE1-N 2.97Å; E114-S242 PolarHBondContact OE1-OG 2.92Å; E114-S242 WeakPolarHBondContact OE2-CB 3.42Å; E114-S242 PolarHBondContact OE2-OG 3.27Å; S242-L245 PolarHBondContact O-N 3.01Å; S242-L245 WeakPolarHBondContact OG-CB 3.41Å; S242-L245 PolarHBondContact OG-N 3.25Å; S242-Q246 WeakPolarHBondContact O-CG 3.39Å; S242-Q246 PolarHBondContact O-N 3.12Å
243K98.5Very high97.5Very high138 Ų13859.1 Ų59.160%0.630%0.296SS*.Hα-helixtrans-60-39.7174.5-65.1-64.4177.7-174.80113.4L245 Q246 S247K243-L245 VanDerWaalsContact C-N 3.33Å; K243-L245 PolarHBondContact O-N 3.41Å; K243-Q246 PolarHBondContact O-N 3.19Å; K243-S247 WeakPolarHBondContact O-CB 3.49Å; K243-S247 PolarHBondContact O-N 3.37Å
244P98.6Very high97.6Very high36 Ų3658 Ų5823%0.23429%0.294CS..Hα-helixtrans-54.2-45.5169.8-29.437.2000113.6S247 F248 R270 F271P244-S247 PolarHBondContact O-N 3.27Å; P244-F248 PolarHBondContact O-N 3Å; P244-R270 HydrophobicContact CB-CB 3.94Å; P244-R270 HydrophobicContact CG-CB 4.39Å; P244-F271 HydrophobicContact CB-CB 4.3Å
245L98.5Very high97.7Very high0 Ų059.5 Ų59.50%029%0.286CS..Hα-helixtrans-71.7-39.4-179.6-177.254.8000112.5E114 V206 V210 L241 S242 K243 S247 F248 F249 F271E114-L245 HydrophobicContact CG-CD2 3.7Å; V206-L245 HydrophobicContact CG1-CD1 3.7Å; V210-L245 HydrophobicContact CB-CD2 4.47Å; V210-L245 HydrophobicContact CG1-CD2 4.23Å; V210-L245 HydrophobicContact CG2-CD2 4Å; L241-L245 HydrophobicContact CB-CD2 4.23Å; L241-L245 HydrophobicContact CD1-CD2 3.99Å; L241-L245 HydrophobicContact CD1-CG 4.38Å; L241-L245 HydrophobicContact CD2-CD2 4.31Å; L241-L245 HydrophobicContact CG-CD2 4.42Å; S242-L245 PolarHBondContact O-N 3.01Å; S242-L245 WeakPolarHBondContact OG-CB 3.41Å; S242-L245 PolarHBondContact OG-N 3.25Å; K243-L245 VanDerWaalsContact C-N 3.33Å; K243-L245 PolarHBondContact O-N 3.41Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 2.92Å; L245-F248 HydrophobicContact CD1-CB 4.41Å; L245-F248 HydrophobicContact CD1-CD1 4.4Å; L245-F248 WeakPolarHBondContact O-CB 3.39Å; L245-F248 PolarHBondContact O-N 2.76Å; L245-F248 VanDerWaalsContact O-N 3.15Å; L245-F249 HydrophobicContact CD1-CD2 4.43Å; L245-F249 HydrophobicContact CD1-CE1 4.08Å; L245-F249 HydrophobicContact CD1-CE2 3.76Å; L245-F249 HydrophobicContact CD1-CZ 3.55Å; L245-F249 HydrophobicContact CD2-CE2 4.19Å; L245-F249 HydrophobicContact CD2-CZ 4.28Å; L245-F249 HydrophobicContact CG-CD2 4.29Å; L245-F249 HydrophobicContact CG-CE2 3.57Å; L245-F249 HydrophobicContact CG-CZ 3.84Å; L245-F249 VanDerWaalsContact O-CD2 3.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.35Å; L245-F249 PolarHBondContact O-N 3.42Å; L245-F249 VanDerWaalsContact O-N 3.09Å; L245-F271 HydrophobicContact CB-CD2 3.89Å; L245-F271 HydrophobicContact CB-CE2 4.18Å; L245-F271 HydrophobicContact CD1-CD1 4.28Å; L245-F271 HydrophobicContact CD1-CD2 3.96Å; L245-F271 HydrophobicContact CD1-CE1 4.22Å; L245-F271 HydrophobicContact CD1-CE2 3.89Å; L245-F271 HydrophobicContact CD1-CG 4.17Å; L245-F271 HydrophobicContact CD1-CZ 4.03Å; L245-F271 HydrophobicContact CD2-CE2 4.37Å; L245-F271 HydrophobicContact CG-CD2 4.44Å; L245-F271 HydrophobicContact CG-CE2 4.38Å
246Q98.7Very high97.7Very high34 Ų3462.4 Ų62.416%0.15930%0.3CS..Hα-helixtrans-56-45.9171-70.7174.946.500111L238 L241 S242 K243 F248 F249 S250L238-Q246 HydrophobicContact CD1-CG 3.94Å; L238-Q246 HydrophobicContact CG-CG 4.39Å; L238-Q246 WeakPolarHBondContact O-CG 3.28Å; L238-Q246 PolarHBondContact O-NE2 2.7Å; L241-Q246 HydrophobicContact CB-CG 4.48Å; L241-Q246 PolarHBondContact O-NE2 2.95Å; S242-Q246 WeakPolarHBondContact O-CG 3.39Å; S242-Q246 PolarHBondContact O-N 3.12Å; K243-Q246 PolarHBondContact O-N 3.19Å; Q246-F248 VanDerWaalsContact C-N 3.33Å; Q246-F248 PolarHBondContact O-N 3Å; Q246-F249 PolarHBondContact O-N 3.38Å; Q246-S250 PolarHBondContact O-N 2.99Å; Q246-S250 PolarHBondContact O-OG 3.33Å
247S98.4Very high97.9Very high50 Ų5057.7 Ų57.735%0.3528%0.283SS..Hα-helixtrans-65.2-34.4177-173.70000112.9K243 P244 L245 S250 A251K243-S247 WeakPolarHBondContact O-CB 3.49Å; K243-S247 PolarHBondContact O-N 3.37Å; P244-S247 PolarHBondContact O-N 3.27Å; L245-S247 VanDerWaalsContact C-N 3.29Å; L245-S247 PolarHBondContact O-N 2.92Å; S247-S250 PolarHBondContact O-N 3.34Å; S247-A251 PolarHBondContact O-N 3.09Å
248F98.8Very high98.1Very high0 Ų060.4 Ų60.40%030%0.295CS..Hα-helixtrans-61.8-45.3174.9177.5-83.9000111.2L202 V206 P244 L245 Q246 A251 C252 V266 L269 F271 L272L202-F248 HydrophobicContact CD2-CZ 4.47Å; V206-F248 HydrophobicContact CB-CE1 3.9Å; V206-F248 HydrophobicContact CG1-CD1 4.22Å; V206-F248 HydrophobicContact CG1-CE1 4Å; V206-F248 HydrophobicContact CG2-CE1 3.56Å; V206-F248 HydrophobicContact CG2-CZ 3.81Å; P244-F248 PolarHBondContact O-N 3Å; L245-F248 HydrophobicContact CD1-CB 4.41Å; L245-F248 HydrophobicContact CD1-CD1 4.4Å; L245-F248 WeakPolarHBondContact O-CB 3.39Å; L245-F248 PolarHBondContact O-N 2.76Å; L245-F248 VanDerWaalsContact O-N 3.15Å; Q246-F248 VanDerWaalsContact C-N 3.33Å; Q246-F248 PolarHBondContact O-N 3Å; F248-A251 PolarHBondContact O-N 3.07Å; F248-C252 HydrophobicContact CE1-CB 4.47Å; F248-C252 PolarHBondContact O-N 3.16Å; F248-C252 PolarHBondContact O-SG 2.63Å; F248-V266 HydrophobicContact CE2-CG1 3.84Å; F248-V266 HydrophobicContact CZ-CG1 4.45Å; F248-L269 HydrophobicContact CD2-CB 4.35Å; F248-L269 HydrophobicContact CD2-CD1 3.58Å; F248-L269 HydrophobicContact CE2-CD1 4.08Å; F248-L269 HydrophobicContact CG-CD1 4.32Å; F248-F271 HydrophobicContact CB-CB 3.88Å; F248-F271 HydrophobicContact CB-CG 4.38Å; F248-F271 HydrophobicContact CD2-CB 4.15Å; F248-F271 AromaticContact CD2-CD1 3.98Å; F248-F271 HydrophobicContact CD2-CD1 3.98Å; F248-F271 HydrophobicContact CD2-CG 4.48Å; F248-F271 HydrophobicContact CE2-CD1 4.39Å; F248-F271 HydrophobicContact CG-CB 4.29Å; F248-F271 HydrophobicContact CG-CD1 4.18Å; F248-L272 HydrophobicContact CE2-CD1 4.26Å
249F98.7Very high98.2Very high4 Ų463.1 Ų63.12%0.01831%0.306CS..Hα-helixtrans-64.4-41.6175.2-62.2-46.3000112.5V206 A207 V210 I235 L238 L241 L245 Q246 A251 C252 L253V206-F249 HydrophobicContact CB-CE1 4Å; V206-F249 HydrophobicContact CG1-CE1 3.67Å; V206-F249 HydrophobicContact CG1-CZ 3.95Å; A207-F249 HydrophobicContact CB-CD1 4.33Å; A207-F249 HydrophobicContact CB-CE1 3.6Å; A207-F249 HydrophobicContact CB-CZ 3.83Å; V210-F249 HydrophobicContact CG2-CZ 4.04Å; I235-F249 HydrophobicContact CD1-CB 4.01Å; I235-F249 HydrophobicContact CD1-CD1 4.01Å; I235-F249 HydrophobicContact CD1-CD2 3.62Å; I235-F249 HydrophobicContact CD1-CE1 4.4Å; I235-F249 HydrophobicContact CD1-CE2 4.01Å; I235-F249 HydrophobicContact CD1-CG 3.62Å; I235-F249 HydrophobicContact CD1-CZ 4.4Å; I235-F249 HydrophobicContact CG2-CE2 4.43Å; L238-F249 HydrophobicContact CD1-CD2 3.71Å; L238-F249 HydrophobicContact CD1-CE2 4.23Å; L241-F249 HydrophobicContact CD1-CE2 3.67Å; L241-F249 HydrophobicContact CD1-CZ 4.49Å; L245-F249 HydrophobicContact CD1-CD2 4.43Å; L245-F249 HydrophobicContact CD1-CE1 4.08Å; L245-F249 HydrophobicContact CD1-CE2 3.76Å; L245-F249 HydrophobicContact CD1-CZ 3.55Å; L245-F249 HydrophobicContact CD2-CE2 4.19Å; L245-F249 HydrophobicContact CD2-CZ 4.28Å; L245-F249 HydrophobicContact CG-CD2 4.29Å; L245-F249 HydrophobicContact CG-CE2 3.57Å; L245-F249 HydrophobicContact CG-CZ 3.84Å; L245-F249 VanDerWaalsContact O-CD2 3.25Å; L245-F249 WeakPolarHBondContact O-CD2 3.35Å; L245-F249 PolarHBondContact O-N 3.42Å; L245-F249 VanDerWaalsContact O-N 3.09Å; Q246-F249 PolarHBondContact O-N 3.38Å; F249-A251 PolarHBondContact O-N 3.35Å; F249-C252 PolarHBondContact O-N 3.38Å; F249-L253 HydrophobicContact CB-CD1 4.28Å; F249-L253 HydrophobicContact CD1-CD1 4.27Å; F249-L253 WeakPolarHBondContact O-CB 3.47Å; F249-L253 PolarHBondContact O-N 2.87Å
250S98.4Very high98.3Very high73 Ų7354.1 Ų54.151%0.5127%0.267SS..Hα-helixtrans-60.2-30174.3-62.50000112.7Q246 S247 Q254Q246-S250 PolarHBondContact O-N 2.99Å; Q246-S250 PolarHBondContact O-OG 3.33Å; S247-S250 PolarHBondContact O-N 3.34Å; S250-Q254 WeakPolarHBondContact O-CG 3.37Å; S250-Q254 PolarHBondContact O-NE2 2.87Å
251A98.7Very high98.4Very high21 Ų2145.5 Ų45.517%0.17424%0.239CC..Hα-helixtrans-79.6-44.9175.800000112.6S247 F248 F249 P261 L269S247-A251 PolarHBondContact O-N 3.09Å; F248-A251 PolarHBondContact O-N 3.07Å; F249-A251 PolarHBondContact O-N 3.35Å; A251-P261 HydrophobicContact CB-CG 4.44Å; A251-P261 WeakPolarHBondContact O-CD 3.2Å; A251-L269 HydrophobicContact CB-CD1 3.89Å; A251-L269 HydrophobicContact CB-CD2 3.91Å
252C98.7Very high98.4Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-82.4-38.5-171.7-58.60000113.4I199 F248 F249 Q254 R260I199-C252 HydrophobicContact CG2-CB 4.07Å; F248-C252 HydrophobicContact CE1-CB 4.47Å; F248-C252 PolarHBondContact O-N 3.16Å; F248-C252 PolarHBondContact O-SG 2.63Å; F249-C252 PolarHBondContact O-N 3.38Å; C252-Q254 PolarHBondContact O-N 2.73Å; C252-Q254 VanDerWaalsContact O-N 3.17Å; C252-R260 VanDerWaalsContact O-CD 3.28Å; C252-R260 WeakPolarHBondContact O-CD 2.92Å; C252-R260 PolarHBondContact O-NE 3.18Å
253L98.6Very high98.3Very high5 Ų548.9 Ų48.93%0.02625%0.245CC..  trans-9241.7-173.7-59178.3000112.6W200 V204 I214 Y233 I235 F249W200-L253 HydrophobicContact CD2-CD2 4.14Å; W200-L253 HydrophobicContact CE3-CD2 4.32Å; W200-L253 HydrophobicContact CZ3-CB 4.41Å; V204-L253 HydrophobicContact CG2-CD2 3.97Å; I214-L253 HydrophobicContact CD1-CD1 4.3Å; Y233-L253 HydrophobicContact CD2-CD1 4.17Å; Y233-L253 HydrophobicContact CE1-CB 3.79Å; Y233-L253 HydrophobicContact CE1-CD1 4.28Å; Y233-L253 HydrophobicContact CE2-CB 4.46Å; Y233-L253 HydrophobicContact CE2-CD1 3.78Å; Y233-L253 WeakPolarHBondContact OH-CB 3.22Å; Y233-L253 PolarHBondContact OH-O 2.66Å; I235-L253 HydrophobicContact CD1-CD1 3.91Å; F249-L253 HydrophobicContact CB-CD1 4.28Å; F249-L253 HydrophobicContact CD1-CD1 4.27Å; F249-L253 WeakPolarHBondContact O-CB 3.47Å; F249-L253 PolarHBondContact O-N 2.87Å
254Q98.4Very high98.3Very high67 Ų6749.7 Ų49.731%0.31325%0.249SC..  trans-81.2131.1171.8-69.6-64.1-21.500110.4W200 S250 C252 Q256 Q259 R260W200-Q254 WeakPolarHBondContact CZ3-O 3.31Å; S250-Q254 WeakPolarHBondContact O-CG 3.37Å; S250-Q254 PolarHBondContact O-NE2 2.87Å; C252-Q254 PolarHBondContact O-N 2.73Å; C252-Q254 VanDerWaalsContact O-N 3.17Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 2.78Å; Q254-Q259 HydrophobicContact CB-CB 4.05Å; Q254-Q259 HydrophobicContact CG-CB 4.17Å; Q254-R260 HydrophobicContact CB-CG 3.86Å; Q254-R260 VanDerWaalsContact O-CZ 3.28Å; Q254-R260 PolarHBondContact O-NE 3.24Å; Q254-R260 PolarHBondContact O-NH2 3.26Å
255R97.4Very high98.3Very high116 Ų11649 Ų4944%0.43825%0.249SC..SBendtrans-63.6-39.4-179.1-88.7-172.458145.6-4.1112.5M230M230-R255 PolarHBondContact O-NH1 3.5Å
256Q97.8Very high98.3Very high76 Ų7649 Ų4936%0.35525%0.249SC..SBendtrans-84.6116175.1-178.859.533.600108.6Q254 T258 Q259Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 2.78Å; Q256-T258 WeakPolarHBondContact CG-OG1 3.3Å; Q256-T258 PolarHBondContact NE2-OG1 2.77Å; Q256-T258 PolarHBondContact O-N 3.03Å; Q256-Q259 HydrophobicContact CB-CB 4.5Å; Q256-Q259 HydrophobicContact CB-CG 4.05Å; Q256-Q259 HydrophobicContact CG-CG 4.16Å; Q256-Q259 WeakPolarHBondContact O-CB 3.25Å; Q256-Q259 PolarHBondContact O-N 2.7Å
257H98.1Very high98.2Very high29 Ų2949.3 Ų49.313%0.13425%0.249CC..G310 helixtrans-57.8-33.2-178.270.2110.1000112.9E186 D194 R196 Q259 R260E186-H257 HydrophobicContact CG-CB 3.95Å; D194-H257 IonicContact OD1-ND1 2.71Å; D194-H257 IonicContact OD2-CE1 2.72Å; D194-H257 PolarHBondContact OD2-CE1 2.8Å; D194-H257 IonicContact OD2-CG 3.81Å; D194-H257 IonicContact OD2-ND1 3.84Å; D194-H257 PolarHBondContact OD2-ND1 3.09Å; R196-H257 WeakPolarHBondContact CD-O 3.47Å; H257-Q259 PolarHBondContact O-N 3.37Å; H257-R260 WeakPolarHBondContact O-CB 3.3Å; H257-R260 PolarHBondContact O-N 3.25Å
258T98Very high98.2Very high78 Ų7853.7 Ų53.748%0.47926%0.264SS..G310 helixtrans-66.5-15.9177.156.40000114.8Q256Q256-T258 WeakPolarHBondContact CG-OG1 3.3Å; Q256-T258 PolarHBondContact NE2-OG1 2.77Å; Q256-T258 PolarHBondContact O-N 3.03Å
259Q98.3Very high98.2Very high123 Ų12355 Ų5558%0.57527%0.271SS*.G310 helixtrans-89.2-7.6174.4-65177.5-20.800112.8Q254 Q256 H257Q254-Q259 HydrophobicContact CB-CB 4.05Å; Q254-Q259 HydrophobicContact CG-CB 4.17Å; Q256-Q259 HydrophobicContact CB-CB 4.5Å; Q256-Q259 HydrophobicContact CB-CG 4.05Å; Q256-Q259 HydrophobicContact CG-CG 4.16Å; Q256-Q259 WeakPolarHBondContact O-CB 3.25Å; Q256-Q259 PolarHBondContact O-N 2.7Å; H257-Q259 PolarHBondContact O-N 3.37Å
260R98.6Very high98.2Very high6 Ų662.6 Ų62.62%0.02330%0.3CS..SBendtrans-82.4143.3174.3-59.3178.1-157.813911.6109.8E186 R196 I199 C252 Q254 H257E186-R260 IonicContact OE1-CZ 3.62Å; E186-R260 IonicContact OE1-NH1 2.79Å; E186-R260 PolarHBondContact OE1-NH1 3.45Å; E186-R260 IonicContact OE1-NH2 3.1Å; E186-R260 PolarHBondContact OE1-NH2 3.48Å; E186-R260 IonicContact OE2-CZ 3.36Å; E186-R260 IonicContact OE2-NH1 3.74Å; E186-R260 PolarHBondContact OE2-NH1 2.85Å; E186-R260 IonicContact OE2-NH2 2.69Å; E186-R260 PolarHBondContact OE2-NH2 2.64Å; R196-R260 HydrophobicContact CB-CB 4.2Å; R196-R260 WeakPolarHBondContact CD-O 3.48Å; R196-R260 WeakPolarHBondContact O-CD 3.39Å; R196-R260 PolarHBondContact O-NH1 3.19Å; I199-R260 HydrophobicContact CG2-CB 4.36Å; C252-R260 VanDerWaalsContact O-CD 3.28Å; C252-R260 WeakPolarHBondContact O-CD 2.92Å; C252-R260 PolarHBondContact O-NE 3.18Å; Q254-R260 HydrophobicContact CB-CG 3.86Å; Q254-R260 VanDerWaalsContact O-CZ 3.28Å; Q254-R260 PolarHBondContact O-NE 3.24Å; Q254-R260 PolarHBondContact O-NH2 3.26Å; H257-R260 WeakPolarHBondContact O-CB 3.3Å; H257-R260 PolarHBondContact O-N 3.25Å
261P98.3Very high98.2Very high33 Ų3359.2 Ų59.221%0.21428%0.276CS..PPolyproline II helixtrans-67.7155.5170.531.1-35.7000110.8A251 V266A251-P261 HydrophobicContact CB-CG 4.44Å; A251-P261 WeakPolarHBondContact O-CD 3.2Å; P261-V266 HydrophobicContact CB-CG2 4.39Å; P261-V266 HydrophobicContact CG-CG2 3.73Å
262Y98.4Very high98.2Very high128 Ų12858.2 Ų58.250%0.50227%0.268SS..PPolyproline II helixtrans-70.1166.4159.7-65.3-76.2000110.5R196 K264 G265 V266R196-Y262 HydrophobicContact CG-CD1 3.92Å; R196-Y262 HydrophobicContact CG-CE1 4.01Å; Y262-K264 PolarHBondContact O-N 3.3Å; Y262-K264 VanDerWaalsContact O-N 3.11Å; Y262-G265 WeakPolarHBondContact O-CA 3.3Å; Y262-G265 PolarHBondContact O-N 2.8Å; Y262-V266 PolarHBondContact O-N 2.73Å
263L97.5Very high98.1Very high9 Ų965.2 Ų65.25%0.04730%0.298CS..Hα-helixtrans-51.6-38.7-179.5-82.8176.7000113.6I125 L128 E129 H132 I199 L202 G265 V266 K267I125-L263 HydrophobicContact CG1-CD2 4.19Å; I125-L263 HydrophobicContact CG2-CD2 4.22Å; L128-L263 VanDerWaalsContact C-CD1 3.46Å; L128-L263 HydrophobicContact CB-CD1 3.69Å; E129-L263 HydrophobicContact CB-CD1 4.06Å; E129-L263 VanDerWaalsContact N-CD1 3.31Å; H132-L263 HydrophobicContact CB-CD1 4.36Å; H132-L263 WeakPolarHBondContact ND1-CD1 3.45Å; I199-L263 HydrophobicContact CD1-CD2 3.37Å; I199-L263 HydrophobicContact CD1-CG 3.67Å; L202-L263 HydrophobicContact CD2-CD2 4.48Å; L263-G265 VanDerWaalsContact C-N 3.3Å; L263-G265 PolarHBondContact O-N 2.87Å; L263-V266 WeakPolarHBondContact O-CA 3.23Å; L263-V266 WeakPolarHBondContact O-CB 3.06Å; L263-V266 PolarHBondContact O-N 2.72Å; L263-K267 WeakPolarHBondContact O-CG 3.27Å; L263-K267 PolarHBondContact O-N 3.31Å
264K97.2Very high97.8Very high156 Ų15673.8 Ų73.868%0.67833%0.331SS*.Hα-helixtrans-53.3-47.2174.2-174.8177.1178.3179.50112Y262 K267Y262-K264 PolarHBondContact O-N 3.3Å; Y262-K264 VanDerWaalsContact O-N 3.11Å; K264-K267 PolarHBondContact O-N 3.29Å
265G98.2Very high97.8Very high22 Ų2271.4 Ų71.423%0.22732%0.321CS..Hα-helixtrans-71.4-28.3176.100000113.4Y262 L263 E268Y262-G265 WeakPolarHBondContact O-CA 3.3Å; Y262-G265 PolarHBondContact O-N 2.8Å; L263-G265 VanDerWaalsContact C-N 3.3Å; L263-G265 PolarHBondContact O-N 2.87Å; G265-E268 PolarHBondContact O-N 3.42Å
266V98.5Very high97.8Very high0 Ų068.8 Ų68.80%032%0.316CS..Hα-helixtrans-63.1-43.5172.5177.40000110.8I125 I199 L202 F248 P261 Y262 L263 E268 L269 L272I125-V266 HydrophobicContact CD1-CG1 3.99Å; I199-V266 HydrophobicContact CD1-CG2 3.89Å; I199-V266 HydrophobicContact CG1-CG2 4.46Å; I199-V266 HydrophobicContact CG2-CG2 3.91Å; L202-V266 HydrophobicContact CD2-CG1 4.19Å; F248-V266 HydrophobicContact CE2-CG1 3.84Å; F248-V266 HydrophobicContact CZ-CG1 4.45Å; P261-V266 HydrophobicContact CB-CG2 4.39Å; P261-V266 HydrophobicContact CG-CG2 3.73Å; Y262-V266 PolarHBondContact O-N 2.73Å; L263-V266 WeakPolarHBondContact O-CA 3.23Å; L263-V266 WeakPolarHBondContact O-CB 3.06Å; L263-V266 PolarHBondContact O-N 2.72Å; V266-E268 PolarHBondContact O-N 3.06Å; V266-L269 HydrophobicContact CB-CD1 4.49Å; V266-L269 HydrophobicContact CG1-CD1 4.26Å; V266-L269 VanDerWaalsContact O-CB 3.31Å; V266-L269 WeakPolarHBondContact O-CB 3.32Å; V266-L269 WeakPolarHBondContact O-CG 3.34Å; V266-L269 PolarHBondContact O-N 2.93Å; V266-L272 HydrophobicContact CG1-CD1 4.08Å
267K98.3Very high97.8Very high39 Ų3967.9 Ų67.917%0.1731%0.309CS..Hα-helixtrans-60.1-25.4178.3-66172.972.7168.50113I125 E129 L263 K264 W277I125-K267 HydrophobicContact CG2-CD 4Å; I125-K267 HydrophobicContact CG2-CG 3.79Å; E129-K267 WeakPolarHBondContact OE1-CD 3.29Å; E129-K267 IonicContact OE1-NZ 2.89Å; E129-K267 PolarHBondContact OE1-NZ 3.33Å; E129-K267 IonicContact OE2-NZ 3Å; E129-K267 PolarHBondContact OE2-NZ 3.17Å; L263-K267 WeakPolarHBondContact O-CG 3.27Å; L263-K267 PolarHBondContact O-N 3.31Å; K264-K267 PolarHBondContact O-N 3.29Å; K267-W277 HydrophobicContact CB-CH2 4.32Å; K267-W277 HydrophobicContact CB-CZ2 3.61Å; K267-W277 HydrophobicContact CD-CD2 4.34Å; K267-W277 HydrophobicContact CD-CE3 4.36Å; K267-W277 HydrophobicContact CD-CH2 4.43Å; K267-W277 HydrophobicContact CD-CZ2 4.4Å; K267-W277 HydrophobicContact CD-CZ3 4.39Å; K267-W277 VanDerWaalsContact CE-CE3 3.46Å; K267-W277 HydrophobicContact CG-CD2 4.27Å; K267-W277 HydrophobicContact CG-CE3 4.41Å; K267-W277 HydrophobicContact CG-CH2 3.68Å; K267-W277 HydrophobicContact CG-CZ2 3.49Å; K267-W277 VanDerWaalsContact CG-CZ2 3.49Å; K267-W277 HydrophobicContact CG-CZ3 4.13Å
268E98Very high97.8Very high142 Ų14271.2 Ų71.266%0.66434%0.335SS*.THydrogen-bonded Turntrans-86.4-8.3178.8-65169.3-173.300113.5G265 V266G265-E268 PolarHBondContact O-N 3.42Å; V266-E268 PolarHBondContact O-N 3.06Å
269L98.6Very high97.8Very high29 Ų2972 Ų7215%0.15233%0.331CS..SBendtrans-65.3144.8-180-66.3173.4000111.7F248 A251 V266 F271 L272 K273F248-L269 HydrophobicContact CD2-CB 4.35Å; F248-L269 HydrophobicContact CD2-CD1 3.58Å; F248-L269 HydrophobicContact CE2-CD1 4.08Å; F248-L269 HydrophobicContact CG-CD1 4.32Å; A251-L269 HydrophobicContact CB-CD1 3.89Å; A251-L269 HydrophobicContact CB-CD2 3.91Å; V266-L269 HydrophobicContact CB-CD1 4.49Å; V266-L269 HydrophobicContact CG1-CD1 4.26Å; V266-L269 VanDerWaalsContact O-CB 3.31Å; V266-L269 WeakPolarHBondContact O-CB 3.32Å; V266-L269 WeakPolarHBondContact O-CG 3.34Å; V266-L269 PolarHBondContact O-N 2.93Å; L269-F271 PolarHBondContact O-N 2.98Å; L269-L272 PolarHBondContact O-N 3.15Å; L269-K273 PolarHBondContact O-N 3.24Å
270R98.3Very high97.7Very high163 Ų16366.1 Ų66.162%0.61530%0.304SS*.THydrogen-bonded Turntrans-52.5-31.1-177.6-67.5176.564.7176.53.2114.3P244 L272 K273P244-R270 HydrophobicContact CB-CB 3.94Å; P244-R270 HydrophobicContact CG-CB 4.39Å; R270-L272 VanDerWaalsContact C-N 3.27Å; R270-L272 PolarHBondContact O-N 2.94Å; R270-K273 WeakPolarHBondContact O-CB 3.31Å; R270-K273 PolarHBondContact O-N 3.32Å
271F98.6Very high97.6Very high2 Ų266.8 Ų66.81%0.00931%0.313CS..THydrogen-bonded Turntrans-65.5-30.8178179.8-115.3000112.6E114 T117 R118 V206 P244 L245 F248 L269E114-F271 HydrophobicContact CB-CE2 4.13Å; T117-F271 HydrophobicContact CG2-CZ 4.34Å; R118-F271 HydrophobicContact CB-CE1 4.42Å; R118-F271 HydrophobicContact CB-CZ 4.14Å; R118-F271 WeakPolarHBondContact CD-O 3.46Å; R118-F271 PolarHBondContact NE-O 3.44Å; V206-F271 HydrophobicContact CG1-CE1 4.41Å; P244-F271 HydrophobicContact CB-CB 4.3Å; L245-F271 HydrophobicContact CB-CD2 3.89Å; L245-F271 HydrophobicContact CB-CE2 4.18Å; L245-F271 HydrophobicContact CD1-CD1 4.28Å; L245-F271 HydrophobicContact CD1-CD2 3.96Å; L245-F271 HydrophobicContact CD1-CE1 4.22Å; L245-F271 HydrophobicContact CD1-CE2 3.89Å; L245-F271 HydrophobicContact CD1-CG 4.17Å; L245-F271 HydrophobicContact CD1-CZ 4.03Å; L245-F271 HydrophobicContact CD2-CE2 4.37Å; L245-F271 HydrophobicContact CG-CD2 4.44Å; L245-F271 HydrophobicContact CG-CE2 4.38Å; F248-F271 HydrophobicContact CB-CB 3.88Å; F248-F271 HydrophobicContact CB-CG 4.38Å; F248-F271 HydrophobicContact CD2-CB 4.15Å; F248-F271 AromaticContact CD2-CD1 3.98Å; F248-F271 HydrophobicContact CD2-CD1 3.98Å; F248-F271 HydrophobicContact CD2-CG 4.48Å; F248-F271 HydrophobicContact CE2-CD1 4.39Å; F248-F271 HydrophobicContact CG-CB 4.29Å; F248-F271 HydrophobicContact CG-CD1 4.18Å; L269-F271 PolarHBondContact O-N 2.98Å
272L98.5Very high97.5Very high0 Ų067.5 Ų67.50%032%0.319CS..THydrogen-bonded Turntrans-103.75-178.5-56.7-178.9000113.1R118 I125 F248 V266 L269 R270 Y274 V275 W277R118-L272 HydrophobicContact CG-CD2 3.97Å; I125-L272 HydrophobicContact CD1-CD1 3.4Å; F248-L272 HydrophobicContact CE2-CD1 4.26Å; V266-L272 HydrophobicContact CG1-CD1 4.08Å; L269-L272 PolarHBondContact O-N 3.15Å; R270-L272 VanDerWaalsContact C-N 3.27Å; R270-L272 PolarHBondContact O-N 2.94Å; L272-Y274 PolarHBondContact O-N 2.72Å; L272-V275 HydrophobicContact CB-CG2 4.19Å; L272-V275 HydrophobicContact CD2-CG2 4.2Å; L272-V275 WeakPolarHBondContact O-CB 3.13Å; L272-V275 WeakPolarHBondContact O-CG2 3.5Å; L272-V275 PolarHBondContact O-N 2.93Å; L272-W277 HydrophobicContact CB-CZ2 4.03Å; L272-W277 HydrophobicContact CD1-CH2 4.06Å; L272-W277 HydrophobicContact CD1-CZ2 3.94Å
273K96.4Very high97.4Very high147 Ų14763.1 Ų63.164%0.63930%0.301SS*.THydrogen-bonded Turntrans-49.4-34.8-177.7-179.6180177.6-174.50114.3L269 R270L269-K273 PolarHBondContact O-N 3.24Å; R270-K273 WeakPolarHBondContact O-CB 3.31Å; R270-K273 PolarHBondContact O-N 3.32Å
274Y93.4Very high97.4Very high184 Ų18468.7 Ų68.772%0.72233%0.331SS*.THydrogen-bonded Turntrans-98.19.8-175.8-56.4-62.4000113.8L272 D276L272-Y274 PolarHBondContact O-N 2.72Å; Y274-D276 PolarHBondContact O-N 3.21Å
275V98Very high97.3Very high18 Ų1863.1 Ų63.111%0.10931%0.308CS..  trans-77.4118.5172.4178.30000108.2R118 A122 L272 W277 A280R118-V275 HydrophobicContact CG-CG2 3.64Å; A122-V275 HydrophobicContact CB-CG1 3.64Å; A122-V275 HydrophobicContact CB-CG2 4.19Å; L272-V275 HydrophobicContact CB-CG2 4.19Å; L272-V275 HydrophobicContact CD2-CG2 4.2Å; L272-V275 WeakPolarHBondContact O-CB 3.13Å; L272-V275 WeakPolarHBondContact O-CG2 3.5Å; L272-V275 PolarHBondContact O-N 2.93Å; V275-W277 HydrophobicContact CB-CD2 4.34Å; V275-W277 HydrophobicContact CB-CZ2 4.05Å; V275-W277 HydrophobicContact CG1-CD2 3.69Å; V275-W277 HydrophobicContact CG1-CE3 3.85Å; V275-W277 HydrophobicContact CG1-CG 4.23Å; V275-W277 HydrophobicContact CG1-CH2 4.13Å; V275-W277 HydrophobicContact CG1-CZ2 3.97Å; V275-W277 HydrophobicContact CG1-CZ3 4.08Å; V275-W277 HydrophobicContact CG2-CZ2 4.47Å; V275-W277 PolarHBondContact O-N 2.77Å; V275-A280 HydrophobicContact CG1-CB 4.09Å
276D97.7Very high97.2Very high60 Ų6072.8 Ų72.832%0.32134%0.337SS..  trans-74.899.3163.5-177.9-26.5000107.8Y274 C278 K279 A280Y274-D276 PolarHBondContact O-N 3.21Å; D276-C278 VanDerWaalsContact C-N 3.27Å; D276-C278 PolarHBondContact O-N 2.98Å; D276-C278 WeakPolarHBondContact OD1-CB 3.36Å; D276-C278 PolarHBondContact OD1-N 2.82Å; D276-C278 VanDerWaalsContact OD1-N 3.13Å; D276-K279 HydrophobicContact CB-CB 4.09Å; D276-K279 HydrophobicContact CB-CD 4.23Å; D276-K279 HydrophobicContact CB-CG 4.33Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-K279 PolarHBondContact OD1-N 2.85Å; D276-K279 WeakPolarHBondContact OD2-CD 3.28Å; D276-K279 WeakPolarHBondContact OD2-CE 3.43Å; D276-K279 VanDerWaalsContact OD2-CG 3.32Å; D276-K279 WeakPolarHBondContact OD2-CG 3.31Å; D276-K279 IonicContact OD2-NZ 3.48Å; D276-K279 PolarHBondContact OD2-NZ 2.63Å; D276-A280 WeakPolarHBondContact O-CB 3.17Å; D276-A280 PolarHBondContact O-N 3.09Å
277W97.7Very high97.1Very high57 Ų5774.1 Ų74.122%0.21635%0.346CS..Hα-helixtrans-68.1-25.8-175.6-69.8107.3000113.4A122 I125 K267 L272 V275 A280 G281A122-W277 HydrophobicContact CB-CH2 4.27Å; A122-W277 HydrophobicContact CB-CZ3 4.06Å; I125-W277 HydrophobicContact CB-CH2 4.07Å; I125-W277 HydrophobicContact CB-CZ3 4.03Å; I125-W277 HydrophobicContact CD1-CH2 3.87Å; I125-W277 HydrophobicContact CG2-CH2 3.7Å; I125-W277 HydrophobicContact CG2-CZ3 3.61Å; K267-W277 HydrophobicContact CB-CH2 4.32Å; K267-W277 HydrophobicContact CB-CZ2 3.61Å; K267-W277 HydrophobicContact CD-CD2 4.34Å; K267-W277 HydrophobicContact CD-CE3 4.36Å; K267-W277 HydrophobicContact CD-CH2 4.43Å; K267-W277 HydrophobicContact CD-CZ2 4.4Å; K267-W277 HydrophobicContact CD-CZ3 4.39Å; K267-W277 VanDerWaalsContact CE-CE3 3.46Å; K267-W277 HydrophobicContact CG-CD2 4.27Å; K267-W277 HydrophobicContact CG-CE3 4.41Å; K267-W277 HydrophobicContact CG-CH2 3.68Å; K267-W277 HydrophobicContact CG-CZ2 3.49Å; K267-W277 VanDerWaalsContact CG-CZ2 3.49Å; K267-W277 HydrophobicContact CG-CZ3 4.13Å; L272-W277 HydrophobicContact CB-CZ2 4.03Å; L272-W277 HydrophobicContact CD1-CH2 4.06Å; L272-W277 HydrophobicContact CD1-CZ2 3.94Å; V275-W277 HydrophobicContact CB-CD2 4.34Å; V275-W277 HydrophobicContact CB-CZ2 4.05Å; V275-W277 HydrophobicContact CG1-CD2 3.69Å; V275-W277 HydrophobicContact CG1-CE3 3.85Å; V275-W277 HydrophobicContact CG1-CG 4.23Å; V275-W277 HydrophobicContact CG1-CH2 4.13Å; V275-W277 HydrophobicContact CG1-CZ2 3.97Å; V275-W277 HydrophobicContact CG1-CZ3 4.08Å; V275-W277 HydrophobicContact CG2-CZ2 4.47Å; V275-W277 PolarHBondContact O-N 2.77Å; W277-A280 HydrophobicContact CE3-CB 4.34Å; W277-G281 PolarHBondContact O-N 3.19Å
278C96.9Very high97Very high100 Ų10074.3 Ų74.368%0.67635%0.352SS*.Hα-helixtrans-69.1-46.3174.4-65.30000110.1D276 S282D276-C278 VanDerWaalsContact C-N 3.27Å; D276-C278 PolarHBondContact O-N 2.98Å; D276-C278 WeakPolarHBondContact OD1-CB 3.36Å; D276-C278 PolarHBondContact OD1-N 2.82Å; D276-C278 VanDerWaalsContact OD1-N 3.13Å; C278-S282 WeakPolarHBondContact O-CB 3.42Å; C278-S282 PolarHBondContact O-N 3.16Å; C278-S282 PolarHBondContact O-OG 3.48Å
279K97.8Very high96.7Very high93 Ų9369.7 Ų69.740%0.40433%0.328SS..Hα-helixtrans-67.2-40174.4-71.1-179.3-170.6161.80112.4D276 S282 R283 L284 L285D276-K279 HydrophobicContact CB-CB 4.09Å; D276-K279 HydrophobicContact CB-CD 4.23Å; D276-K279 HydrophobicContact CB-CG 4.33Å; D276-K279 PolarHBondContact O-N 3.46Å; D276-K279 PolarHBondContact OD1-N 2.85Å; D276-K279 WeakPolarHBondContact OD2-CD 3.28Å; D276-K279 WeakPolarHBondContact OD2-CE 3.43Å; D276-K279 VanDerWaalsContact OD2-CG 3.32Å; D276-K279 WeakPolarHBondContact OD2-CG 3.31Å; D276-K279 IonicContact OD2-NZ 3.48Å; D276-K279 PolarHBondContact OD2-NZ 2.63Å; K279-S282 PolarHBondContact O-N 3.33Å; K279-R283 PolarHBondContact O-N 2.99Å; K279-R283 VanDerWaalsContact O-N 3.15Å; K279-L284 HydrophobicContact CB-CB 3.96Å; K279-L284 HydrophobicContact CG-CB 4.04Å; K279-L284 PolarHBondContact O-N 3.34Å; K279-L285 HydrophobicContact CB-CD2 3.67Å; K279-L285 HydrophobicContact CB-CG 4.06Å; K279-L285 HydrophobicContact CD-CD2 4.41Å
280A97.4Very high96.2Very high0 Ų070.6 Ų70.60%034%0.337CS..Hα-helixtrans-59.5-52.2175.800000110.3F76 A122 V275 D276 W277 S282 R283 L285F76-A280 WeakPolarHBondContact CZ-O 3.49Å; A122-A280 HydrophobicContact CB-CB 4.25Å; V275-A280 HydrophobicContact CG1-CB 4.09Å; D276-A280 WeakPolarHBondContact O-CB 3.17Å; D276-A280 PolarHBondContact O-N 3.09Å; W277-A280 HydrophobicContact CE3-CB 4.34Å; A280-S282 PolarHBondContact O-N 2.92Å; A280-S282 VanDerWaalsContact O-N 3.15Å; A280-R283 PolarHBondContact O-N 3.02Å; A280-L285 HydrophobicContact CB-CD1 3.7Å; A280-L285 HydrophobicContact CB-CG 4.38Å
281G96.2Very high95.6Very high20 Ų2064 Ų6421%0.20632%0.315CS..Hα-helixtrans-62.5-21.718000000114.7F76 W277F76-G281 WeakPolarHBondContact CE2-O 3.38Å; W277-G281 PolarHBondContact O-N 3.19Å
282S96.3Very high94.7Very high48 Ų4868.8 Ų68.834%0.33635%0.349SS..THydrogen-bonded Turntrans-106.29.4-178.6-46.70000113.7C278 K279 A280 L284C278-S282 WeakPolarHBondContact O-CB 3.42Å; C278-S282 PolarHBondContact O-N 3.16Å; C278-S282 PolarHBondContact O-OG 3.48Å; K279-S282 PolarHBondContact O-N 3.33Å; A280-S282 PolarHBondContact O-N 2.92Å; A280-S282 VanDerWaalsContact O-N 3.15Å; S282-L284 PolarHBondContact O-N 3.21Å
283R96.1Very high93.4Very high37 Ų3774.1 Ų74.114%0.1437%0.373CS..THydrogen-bonded Turntrans55.434.5-175.6-65.5-172.6158.3-162.5-14.1114.8P75 F76 Y149 H153 V154 K279 A280P75-R283 HydrophobicContact CB-CG 4.47Å; P75-R283 HydrophobicContact CG-CG 4.31Å; P75-R283 PolarHBondContact O-NH2 3.39Å; F76-R283 HydrophobicContact CE1-CG 3.77Å; F76-R283 HydrophobicContact CE2-CG 4.45Å; F76-R283 HydrophobicContact CZ-CG 3.48Å; F76-R283 VanDerWaalsContact CZ-CG 3.48Å; Y149-R283 VanDerWaalsContact CE2-CZ 3.41Å; H153-R283 PolarHBondContact CE1-O 2.9Å; H153-R283 VanDerWaalsContact CE1-O 3.3Å; H153-R283 PolarHBondContact NE2-O 3.12Å; V154-R283 PolarHBondContact O-NH2 3.09Å; K279-R283 PolarHBondContact O-N 2.99Å; K279-R283 VanDerWaalsContact O-N 3.15Å; A280-R283 PolarHBondContact O-N 3.02Å
284L96.9Very high92.3Very high126 Ų12667.6 Ų67.666%0.6635%0.345SS*.  trans-95.6-6.2177.9-62.3175.8000112.9K279 S282K279-L284 HydrophobicContact CB-CB 3.96Å; K279-L284 HydrophobicContact CG-CB 4.04Å; K279-L284 PolarHBondContact O-N 3.34Å; S282-L284 PolarHBondContact O-N 3.21Å
285L95.4Very high90.8Very high39 Ų3967.8 Ų67.820%0.20435%0.345CS..SBendtrans-73.6139.5170.6-62.8-176.6000109.7F119 H153 K279 A280 P287F119-L285 HydrophobicContact CD2-CB 3.9Å; F119-L285 HydrophobicContact CD2-CD1 4.4Å; F119-L285 HydrophobicContact CE2-CB 3.55Å; H153-L285 PolarHBondContact CE1-O 3.26Å; K279-L285 HydrophobicContact CB-CD2 3.67Å; K279-L285 HydrophobicContact CB-CG 4.06Å; K279-L285 HydrophobicContact CD-CD2 4.41Å; A280-L285 HydrophobicContact CB-CD1 3.7Å; A280-L285 HydrophobicContact CB-CG 4.38Å; L285-P287 VanDerWaalsContact O-CD 3.32Å; L285-P287 WeakPolarHBondContact O-CD 3.39Å
286R96Very high89Confident224 Ų22472 Ų7285%0.84536%0.363SS*.PPolyproline II helixtrans-76.1122.3178.8-177177.8178-179.41111.3F119F119-R286 WeakPolarHBondContact CE2-O 3.41Å
287P96.6Very high86.9Confident28 Ų2872.1 Ų72.118%0.18236%0.359CS..PPolyproline II helixtrans-60138.5174.4-25.636000112.8F119 L285F119-P287 HydrophobicContact CE1-CB 4.19Å; F119-P287 VanDerWaalsContact CZ-CA 3.47Å; F119-P287 HydrophobicContact CZ-CB 3.91Å; F119-P287 HydrophobicContact CZ-CG 3.85Å; L285-P287 VanDerWaalsContact O-CD 3.32Å; L285-P287 WeakPolarHBondContact O-CD 3.39Å
288P95.9Very high84.3Confident44 Ų4474.9 Ų74.929%0.28638%0.378SS..SBendtrans-78.5-18.3-178.129.3-33.8000113.9N116 F119 Y120N116-P288 HydrophobicContact CB-CB 4.21Å; N116-P288 HydrophobicContact CB-CG 4.19Å; F119-P288 HydrophobicContact CB-CG 4.43Å; F119-P288 HydrophobicContact CD1-CG 3.95Å; F119-P288 HydrophobicContact CG-CG 4.26Å; Y120-P288 HydrophobicContact CD2-CG 4.48Å; Y120-P288 HydrophobicContact CE2-CG 3.68Å
289Y93.1Very high81.7Confident45 Ų4573 Ų7318%0.17637%0.366CS..SBendtrans-133.2141.1178.3-60.6-80.1000110.1L105 V109 L112 N116 Y120L105-Y289 HydrophobicContact CD1-CD1 4.22Å; L105-Y289 HydrophobicContact CD1-CD2 3.88Å; L105-Y289 HydrophobicContact CD1-CE1 4.48Å; L105-Y289 HydrophobicContact CD1-CE2 4.15Å; L105-Y289 HydrophobicContact CD1-CG 3.91Å; L105-Y289 HydrophobicContact CD2-CD2 3.78Å; L105-Y289 HydrophobicContact CD2-CE2 4.07Å; L105-Y289 HydrophobicContact CD2-CG 4.5Å; V109-Y289 HydrophobicContact CG1-CD1 4.5Å; V109-Y289 HydrophobicContact CG1-CE1 4.05Å; L112-Y289 HydrophobicContact CD2-CE2 3.79Å; N116-Y289 HydrophobicContact CB-CE2 4.19Å; N116-Y289 WeakPolarHBondContact ND2-CE2 3.26Å; N116-Y289 PolarHBondContact ND2-OH 3.46Å; N116-Y289 VanDerWaalsContact ND2-OH 3.15Å; Y120-Y289 AromaticContact CE2-CD2 3.98Å; Y120-Y289 HydrophobicContact CE2-CD2 3.98Å; Y120-Y289 HydrophobicContact CE2-CE2 4.35Å; Y120-Y289 WeakPolarHBondContact OH-CD2 3.41Å
290S87.9Confident79.4Confident47 Ų4770.7 Ų70.733%0.32936%0.356SS..  trans-85.3142.5171.4178.20000110.2S292 E293S290-S292 PolarHBondContact O-N 2.87Å; S290-S292 PolarHBondContact OG-N 3.15Å; S290-S292 PolarHBondContact OG-OG 3.21Å; S290-E293 WeakPolarHBondContact O-CB 3.15Å; S290-E293 PolarHBondContact O-N 2.83Å
291T84.3Confident76.7Confident25 Ų2573.4 Ų73.415%0.15337%0.368CS..G310 helixtrans-64.9-24.4174.361.70000113.1F148 Y149 P150 E293 L294F148-T291 HydrophobicContact CB-CG2 3.93Å; F148-T291 HydrophobicContact CD1-CG2 4.26Å; F148-T291 HydrophobicContact CG-CG2 4.36Å; Y149-T291 WeakPolarHBondContact O-CG2 3.49Å; P150-T291 PolarHBondContact O-OG1 3.02Å; T291-E293 PolarHBondContact O-N 3.11Å; T291-L294 WeakPolarHBondContact O-CB 3.4Å; T291-L294 PolarHBondContact O-N 3.32Å
292S80.1Confident74.1Confident103 Ų10377.7 Ų77.772%0.7239%0.386SS*.G310 helixtrans-63.1-22.4172.964.40000113.2S290S290-S292 PolarHBondContact O-N 2.87Å; S290-S292 PolarHBondContact OG-N 3.15Å; S290-S292 PolarHBondContact OG-OG 3.21Å
293E72.4Confident71.7Confident111 Ų11185.2 Ų85.252%0.51941%0.413SS..G310 helixtrans-84.3-22.4175.4-60.4172.6170.700111.6H108 S290 T291 R295H108-E293 PolarHBondContact NE2-O 3.28Å; S290-E293 WeakPolarHBondContact O-CB 3.15Å; S290-E293 PolarHBondContact O-N 2.83Å; T291-E293 PolarHBondContact O-N 3.11Å; E293-R295 PolarHBondContact O-N 2.78Å
294L72.9Confident69.5Low10 Ų1085 Ų855%0.05242%0.416CS..SBendtrans-80.2103.6178-61.4179.1000109.3C100 L105 F148 T291 H296C100-L294 HydrophobicContact CB-CB 4.48Å; C100-L294 HydrophobicContact CB-CD1 4.21Å; L105-L294 HydrophobicContact CB-CD2 3.88Å; L105-L294 HydrophobicContact CD1-CD2 3.45Å; L105-L294 VanDerWaalsContact CD1-CD2 3.45Å; L105-L294 HydrophobicContact CG-CD2 4.23Å; F148-L294 HydrophobicContact CD1-CD1 4.36Å; F148-L294 HydrophobicContact CD2-CD1 4.07Å; F148-L294 HydrophobicContact CE1-CD1 4.31Å; F148-L294 HydrophobicContact CE2-CD1 4.01Å; F148-L294 HydrophobicContact CG-CD1 4.24Å; F148-L294 HydrophobicContact CZ-CD1 4.16Å; T291-L294 WeakPolarHBondContact O-CB 3.4Å; T291-L294 PolarHBondContact O-N 3.32Å; L294-H296 PolarHBondContact O-N 2.84Å
295R62.3Low67.8Low189 Ų18985.4 Ų85.471%0.71343%0.429SS*.PPolyproline II helixtrans-65.2128.7167.5-67.6-173.5-177.3177.60.7109E293 R297E293-R295 PolarHBondContact O-N 2.78Å; R295-R297 PolarHBondContact O-N 2.89Å
296H59.6Low66.5Low105 Ų10584.7 Ų84.749%0.48643%0.427SS..PPolyproline II helixtrans-51.4126.5161.1-69.8-65.3000108.2S98 C100 L294 L298S98-H296 PolarHBondContact O-CE1 3.02Å; S98-H296 VanDerWaalsContact O-CE1 3.26Å; C100-H296 PolarHBondContact SG-ND1 2.97Å; C100-H296 VanDerWaalsContact SG-ND1 3.44Å; L294-H296 PolarHBondContact O-N 2.84Å; H296-L298 PolarHBondContact O-N 3.31Å
297R52.5Low65.9Low63 Ų6377 Ų7724%0.23841%0.407CS..PPolyproline II helixtrans-62.2124.8170.2-82.7-175.3145.8-171.9-7.2108.5Y103 D104 C107 R295 S299 K300Y103-R297 PolarHBondContact OH-NH1 3.41Å; D104-R297 VanDerWaalsContact OD1-CD 3.29Å; D104-R297 WeakPolarHBondContact OD1-CD 3.37Å; D104-R297 WeakPolarHBondContact OD1-CG 3.35Å; C107-R297 PolarHBondContact SG-NH1 3.11Å; C107-R297 VanDerWaalsContact SG-NH1 3.38Å; C107-R297 PolarHBondContact SG-NH2 3.21Å; R295-R297 PolarHBondContact O-N 2.89Å; R297-S299 PolarHBondContact O-N 3.04Å; R297-K300 PolarHBondContact O-N 3.42Å; R297-K300 VanDerWaalsContact O-N 3.08Å
298L43.5Very low65.4Low116 Ų11677 Ų7761%0.60741%0.408SS*.G310 helixtrans-51-21162.3-67.5170000111.2H296 K300 E301 D302H296-L298 PolarHBondContact O-N 3.31Å; L298-K300 VanDerWaalsContact C-N 3.26Å; L298-K300 PolarHBondContact O-N 3.23Å; L298-E301 CarbonylContact O-C 3.46Å; L298-E301 VanDerWaalsContact O-C 3.32Å; L298-E301 WeakPolarHBondContact O-CA 3.42Å; L298-E301 VanDerWaalsContact O-CB 3.22Å; L298-E301 WeakPolarHBondContact O-CB 3.49Å; L298-E301 PolarHBondContact O-N 3.07Å; L298-D302 WeakPolarHBondContact CB-OD2 3.37Å; L298-D302 PolarHBondContact O-N 2.71Å
299S42.2Very low65Low61 Ų6179 Ų7943%0.42742%0.42SS..G310 helixtrans-70.4-6.6176.882.10000116.7R297R297-S299 PolarHBondContact O-N 3.04Å
300K49Very low64.8Low43 Ų4379 Ų7919%0.18742%0.422CS..G310 helixtrans-71-22.4159.6-69.8-163-174.6176.50111.1I18 G99 R297 L298I18-K300 WeakPolarHBondContact O-CD 3.3Å; G99-K300 PolarHBondContact O-NZ 3.15Å; R297-K300 PolarHBondContact O-N 3.42Å; R297-K300 VanDerWaalsContact O-N 3.08Å; L298-K300 VanDerWaalsContact C-N 3.26Å; L298-K300 PolarHBondContact O-N 3.23Å
301E41.9Very low64.8Low58 Ų5882.2 Ų82.227%0.27144%0.44SS..THydrogen-bonded Turntrans-100-34.4176-54.2175153.800112L298 K303 T304 S308L298-E301 CarbonylContact O-C 3.46Å; L298-E301 VanDerWaalsContact O-C 3.32Å; L298-E301 WeakPolarHBondContact O-CA 3.42Å; L298-E301 VanDerWaalsContact O-CB 3.22Å; L298-E301 WeakPolarHBondContact O-CB 3.49Å; L298-E301 PolarHBondContact O-N 3.07Å; E301-K303 VanDerWaalsContact C-N 3.28Å; E301-K303 PolarHBondContact O-N 3.41Å; E301-T304 CarbonylContact O-C 3.48Å; E301-T304 VanDerWaalsContact O-C 3.31Å; E301-T304 PolarHBondContact O-N 3.1Å; E301-S308 VanDerWaalsContact OE1-CB 3.29Å; E301-S308 WeakPolarHBondContact OE1-CB 3.29Å; E301-S308 PolarHBondContact OE1-OG 2.56Å
302D40.6Very low64.9Low109 Ų10986.4 Ų86.458%0.58346%0.461SS*.THydrogen-bonded Turntrans-74.329.9-166.9-71.7-36.7000118.4L298L298-D302 WeakPolarHBondContact CB-OD2 3.37Å; L298-D302 PolarHBondContact O-N 2.71Å
303K47.7Very low65.2Low206 Ų20681.6 Ų81.690%0.89643%0.427SS*.THydrogen-bonded Turntrans-108.9-14.8151.8-75.4-169.9178.5-1780113E301E301-K303 VanDerWaalsContact C-N 3.28Å; E301-K303 PolarHBondContact O-N 3.41Å
304T49.2Very low66.1Low34 Ų3477.4 Ų77.421%0.20941%0.409CS..SBendtrans-144.5109.9-178.248.60000105.9E301 V306 N325 F326E301-T304 CarbonylContact O-C 3.48Å; E301-T304 VanDerWaalsContact O-C 3.31Å; E301-T304 PolarHBondContact O-N 3.1Å; T304-V306 PolarHBondContact O-N 2.84Å; T304-N325 WeakPolarHBondContact CG2-O 3.39Å; T304-F326 HydrophobicContact CG2-CD1 4.3Å; T304-F326 HydrophobicContact CG2-CE1 4.24Å; T304-F326 WeakPolarHBondContact OG1-CE1 3.21Å
305S60Low66.9Low133 Ų13380.6 Ų80.693%0.9343%0.431SS*.  trans-64.243.6-177.6-53.10000114.5
306V69.7Low68.2Low25 Ų2571.8 Ų71.815%0.15240%0.399CS..  trans-100.5124.6-174-178.50000106.6T304 D310 L313 N325T304-V306 PolarHBondContact O-N 2.84Å; V306-D310 HydrophobicContact CG1-CB 3.4Å; V306-D310 VanDerWaalsContact CG1-CB 3.4Å; V306-L313 HydrophobicContact CG1-CB 4.27Å; V306-L313 HydrophobicContact CG1-CD2 3.93Å; V306-N325 WeakPolarHBondContact CG1-ND2 3.36Å; V306-N325 HydrophobicContact CG2-CB 3.78Å; V306-N325 WeakPolarHBondContact CG2-ND2 3.22Å
307S82.6Confident69.7Low61 Ų6166.8 Ų66.843%0.42738%0.376SS..  trans-54.1140.5173.6179.70000110.4T309 D310S307-T309 PolarHBondContact O-N 3.17Å; S307-T309 PolarHBondContact OG-N 2.9Å; S307-T309 PolarHBondContact OG-OG1 3.08Å; S307-T309 VanDerWaalsContact OG-OG1 3.07Å; S307-D310 WeakPolarHBondContact O-CB 3.24Å; S307-D310 PolarHBondContact O-N 3.44Å
308S85.4Confident71.6Confident30 Ų3065.5 Ų65.521%0.2137%0.372CS..THydrogen-bonded Turntrans-58.5-18.1170.940.50000113.3R16 F17 E301R16-S308 CarbonylContact C-O 3.51Å; R16-S308 WeakPolarHBondContact CA-O 3.4Å; F17-S308 PolarHBondContact N-O 2.9Å; F17-S308 WeakPolarHBondContact O-CB 3.42Å; E301-S308 VanDerWaalsContact OE1-CB 3.29Å; E301-S308 WeakPolarHBondContact OE1-CB 3.29Å; E301-S308 PolarHBondContact OE1-OG 2.56Å
309T88.6Confident73.8Confident86 Ų8664.3 Ų64.353%0.52836%0.363SS..THydrogen-bonded Turntrans-102.914.5174.565.20000113.8S307 V311S307-T309 PolarHBondContact O-N 3.17Å; S307-T309 PolarHBondContact OG-N 2.9Å; S307-T309 PolarHBondContact OG-OG1 3.08Å; S307-T309 VanDerWaalsContact OG-OG1 3.07Å; T309-V311 PolarHBondContact O-N 3.05Å
310D88.2Confident75.8Confident44 Ų4463 Ų6324%0.23535%0.353CS..  trans-61.5123.3179.8179.3-88.6000111.8V306 S307 N312 L313 L314V306-D310 HydrophobicContact CG1-CB 3.4Å; V306-D310 VanDerWaalsContact CG1-CB 3.4Å; S307-D310 WeakPolarHBondContact O-CB 3.24Å; S307-D310 PolarHBondContact O-N 3.44Å; D310-N312 VanDerWaalsContact C-N 3.29Å; D310-N312 PolarHBondContact O-N 2.91Å; D310-N312 WeakPolarHBondContact OD1-CA 3.26Å; D310-N312 WeakPolarHBondContact OD1-CB 3.23Å; D310-N312 PolarHBondContact OD1-N 2.92Å; D310-L313 HydrophobicContact CB-CB 4.02Å; D310-L313 WeakPolarHBondContact O-CB 3.2Å; D310-L313 PolarHBondContact O-N 3.22Å; D310-L313 VanDerWaalsContact O-N 3.09Å; D310-L313 PolarHBondContact OD1-N 2.56Å; D310-L314 WeakPolarHBondContact O-CG 3.29Å; D310-L314 PolarHBondContact O-N 3.36Å
311V88Confident77.4Confident114 Ų11466.4 Ų66.469%0.69136%0.364SS*.Hα-helixtrans-61.8-36-173.7179.80000112.2T309 L313 L314 S315T309-V311 PolarHBondContact O-N 3.05Å; V311-L313 VanDerWaalsContact C-N 3.33Å; V311-L314 PolarHBondContact O-N 3.17Å; V311-S315 VanDerWaalsContact O-CB 3.31Å; V311-S315 WeakPolarHBondContact O-CB 3.4Å; V311-S315 PolarHBondContact O-N 3.18Å; V311-S315 PolarHBondContact O-OG 3.28Å
312N86.5Confident79.4Confident114 Ų11465.6 Ų65.661%0.6136%0.359SS*.Hα-helixtrans-69.8-35.1178.8-63.4-47.5000111.1D310 S315D310-N312 VanDerWaalsContact C-N 3.29Å; D310-N312 PolarHBondContact O-N 2.91Å; D310-N312 WeakPolarHBondContact OD1-CA 3.26Å; D310-N312 WeakPolarHBondContact OD1-CB 3.23Å; D310-N312 PolarHBondContact OD1-N 2.92Å; N312-S315 PolarHBondContact O-OG 3.35Å
313L87.3Confident81.2Confident1 Ų160.7 Ų60.71%0.00533%0.333CS..Hα-helixtrans-67-48172.4-179.951.8000111.6F17 Y27 V306 D310 V311 G316 P323 F326F17-L313 HydrophobicContact CB-CD2 3.54Å; F17-L313 HydrophobicContact CB-CG 4.06Å; F17-L313 HydrophobicContact CD1-CD2 3.78Å; F17-L313 HydrophobicContact CD2-CD1 4.41Å; F17-L313 HydrophobicContact CD2-CD2 4.22Å; F17-L313 HydrophobicContact CD2-CG 4.45Å; F17-L313 HydrophobicContact CG-CD2 3.58Å; F17-L313 HydrophobicContact CG-CG 4.21Å; Y27-L313 HydrophobicContact CE1-CD1 4.28Å; Y27-L313 HydrophobicContact CE1-CG 4.31Å; V306-L313 HydrophobicContact CG1-CB 4.27Å; V306-L313 HydrophobicContact CG1-CD2 3.93Å; D310-L313 HydrophobicContact CB-CB 4.02Å; D310-L313 WeakPolarHBondContact O-CB 3.2Å; D310-L313 PolarHBondContact O-N 3.22Å; D310-L313 VanDerWaalsContact O-N 3.09Å; D310-L313 PolarHBondContact OD1-N 2.56Å; V311-L313 VanDerWaalsContact C-N 3.33Å; L313-G316 PolarHBondContact O-N 2.85Å; L313-P323 HydrophobicContact CD1-CB 4.03Å; L313-P323 HydrophobicContact CD1-CG 4.04Å; L313-F326 HydrophobicContact CD1-CD2 4.11Å; L313-F326 HydrophobicContact CD1-CE2 3.55Å; L313-F326 HydrophobicContact CD2-CE2 4.23Å
314L91.3Very high82.2Confident24 Ų2454.5 Ų54.513%0.12632%0.32CS..Hα-helixtrans-68.5-36.8-177.4-59.3-170.9000113V14 F17 Y27 D310 V311 G316 A317V14-L314 HydrophobicContact CB-CB 4.36Å; V14-L314 HydrophobicContact CG1-CB 4.1Å; V14-L314 HydrophobicContact CG1-CD2 3.87Å; V14-L314 HydrophobicContact CG1-CG 4.4Å; F17-L314 HydrophobicContact CB-CD2 4.36Å; Y27-L314 HydrophobicContact CD1-CD2 4Å; Y27-L314 HydrophobicContact CE1-CD2 4.36Å; D310-L314 WeakPolarHBondContact O-CG 3.29Å; D310-L314 PolarHBondContact O-N 3.36Å; V311-L314 PolarHBondContact O-N 3.17Å; L314-G316 PolarHBondContact O-N 3.05Å; L314-G316 VanDerWaalsContact O-N 3.09Å; L314-A317 VanDerWaalsContact O-CB 3.3Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 2.9Å
315S90Very high83.2Confident76 Ų7655.8 Ų55.853%0.53133%0.326SS..Hα-helixtrans-60.8-20.3177.266.90000113.3V311 N312V311-S315 VanDerWaalsContact O-CB 3.31Å; V311-S315 WeakPolarHBondContact O-CB 3.4Å; V311-S315 PolarHBondContact O-N 3.18Å; V311-S315 PolarHBondContact O-OG 3.28Å; N312-S315 PolarHBondContact O-OG 3.35Å
316G88.6Confident83.7Confident4 Ų450.4 Ų50.44%0.04129%0.286CS..THydrogen-bonded Turntrans-78.2-12.4174.400000114.9R45 L313 L314 F318 K319R45-G316 PolarHBondContact NH1-O 3.49Å; L313-G316 PolarHBondContact O-N 2.85Å; L314-G316 PolarHBondContact O-N 3.05Å; L314-G316 VanDerWaalsContact O-N 3.09Å; G316-F318 PolarHBondContact O-N 3.45Å; G316-K319 PolarHBondContact O-N 3.2Å
317A91.6Very high83.3Confident0 Ų052.6 Ų52.60%030%0.296CS..THydrogen-bonded Turntrans-56.3-25.6-164.900000116V14 Y27 L43 R45 L314V14-A317 HydrophobicContact CB-CB 4.31Å; V14-A317 HydrophobicContact CG1-CB 3.84Å; V14-A317 HydrophobicContact CG2-CB 3.51Å; Y27-A317 HydrophobicContact CD1-CB 4.14Å; Y27-A317 HydrophobicContact CD2-CB 3.9Å; Y27-A317 HydrophobicContact CE1-CB 4.22Å; Y27-A317 HydrophobicContact CE2-CB 3.99Å; Y27-A317 HydrophobicContact CG-CB 3.99Å; L43-A317 HydrophobicContact CD2-CB 3.88Å; L43-A317 WeakPolarHBondContact CD2-O 3.44Å; R45-A317 WeakPolarHBondContact CB-O 3.17Å; R45-A317 WeakPolarHBondContact CD-O 3.49Å; R45-A317 WeakPolarHBondContact CG-O 3.5Å; L314-A317 VanDerWaalsContact O-CB 3.3Å; L314-A317 WeakPolarHBondContact O-CB 3.37Å; L314-A317 PolarHBondContact O-N 2.9Å
318F91.3Very high81.8Confident36 Ų3652.4 Ų52.416%0.15830%0.295CS..THydrogen-bonded Turntrans-11919.2177.3-64-82000113.4P9 F12 V14 L43 M84 S89 G316P9-F318 HydrophobicContact CB-CB 3.9Å; P9-F318 HydrophobicContact CB-CD1 3.71Å; P9-F318 HydrophobicContact CB-CD2 4.08Å; P9-F318 HydrophobicContact CB-CE1 4.17Å; P9-F318 HydrophobicContact CB-CG 3.65Å; P9-F318 HydrophobicContact CG-CB 4.22Å; P9-F318 HydrophobicContact CG-CD1 3.89Å; P9-F318 HydrophobicContact CG-CE1 4.49Å; P9-F318 HydrophobicContact CG-CG 4.18Å; F12-F318 HydrophobicContact CB-CE2 4.3Å; F12-F318 HydrophobicContact CB-CZ 3.98Å; F12-F318 HydrophobicContact CD2-CZ 4.26Å; F12-F318 HydrophobicContact CG-CZ 4.35Å; V14-F318 HydrophobicContact CG2-CD2 4.31Å; V14-F318 HydrophobicContact CG2-CE2 3.91Å; L43-F318 HydrophobicContact CD1-CD1 4.32Å; L43-F318 HydrophobicContact CD1-CE1 3.49Å; L43-F318 VanDerWaalsContact CD1-CE1 3.49Å; L43-F318 HydrophobicContact CD1-CZ 3.86Å; L43-F318 HydrophobicContact CD2-CD1 4.09Å; L43-F318 HydrophobicContact CD2-CD2 4.32Å; L43-F318 HydrophobicContact CD2-CE1 3.65Å; L43-F318 HydrophobicContact CD2-CE2 3.9Å; L43-F318 HydrophobicContact CD2-CG 4.42Å; L43-F318 HydrophobicContact CD2-CZ 3.55Å; L43-F318 HydrophobicContact CG-CE1 4.23Å; L43-F318 HydrophobicContact CG-CZ 4.34Å; M84-F318 HydrophobicContact CE-CE1 3.84Å; M84-F318 HydrophobicContact SD-CE1 4.46Å; S89-F318 WeakPolarHBondContact CB-O 3.34Å; S89-F318 PolarHBondContact OG-O 2.91Å; G316-F318 PolarHBondContact O-N 3.45Å
319K89.7Confident79.8Confident92 Ų9259.9 Ų59.940%0.432%0.324SS..  trans-96.9146.1178.4-58.4-53.1-169.9-177.70111.2R45 G316 W321R45-K319 WeakPolarHBondContact CD-O 3.21Å; R45-K319 PolarHBondContact NE-O 3.01Å; R45-K319 VanDerWaalsContact NE-O 3.09Å; R45-K319 PolarHBondContact NH1-O 3.16Å; R45-K319 VanDerWaalsContact NH1-O 3.16Å; R45-K319 PolarHBondContact NH2-O 3.1Å; G316-K319 PolarHBondContact O-N 3.2Å; K319-W321 VanDerWaalsContact C-N 3.34Å; K319-W321 HydrophobicContact CB-CD2 3.89Å; K319-W321 HydrophobicContact CB-CE3 4.15Å; K319-W321 HydrophobicContact CB-CH2 4Å; K319-W321 HydrophobicContact CB-CZ2 3.73Å; K319-W321 HydrophobicContact CB-CZ3 4.18Å; K319-W321 HydrophobicContact CD-CH2 3.55Å; K319-W321 HydrophobicContact CD-CZ2 3.74Å; K319-W321 HydrophobicContact CD-CZ3 4.22Å; K319-W321 HydrophobicContact CG-CH2 3.87Å; K319-W321 HydrophobicContact CG-CZ2 3.54Å
320P85.7Confident77.1Confident34 Ų3462.8 Ų62.822%0.22133%0.333CS..SBendtrans-70.9-29.3178.427.2-33.6000112.5L47 N87L47-P320 WeakPolarHBondContact CD2-O 3.28Å; N87-P320 WeakPolarHBondContact O-CG 3.3Å
321W82.3Confident74.6Confident113 Ų11365.2 Ų65.243%0.42835%0.346SS..SBendtrans-84.8155-177.561.289.1000113.5R45 K319 P341R45-W321 PolarHBondContact NH1-O 3.26Å; R45-W321 PolarHBondContact NH2-O 2.94Å; K319-W321 VanDerWaalsContact C-N 3.34Å; K319-W321 HydrophobicContact CB-CD2 3.89Å; K319-W321 HydrophobicContact CB-CE3 4.15Å; K319-W321 HydrophobicContact CB-CH2 4Å; K319-W321 HydrophobicContact CB-CZ2 3.73Å; K319-W321 HydrophobicContact CB-CZ3 4.18Å; K319-W321 HydrophobicContact CD-CH2 3.55Å; K319-W321 HydrophobicContact CD-CZ2 3.74Å; K319-W321 HydrophobicContact CD-CZ3 4.22Å; K319-W321 HydrophobicContact CG-CH2 3.87Å; K319-W321 HydrophobicContact CG-CZ2 3.54Å; W321-P341 HydrophobicContact CE3-CB 4.21Å; W321-P341 HydrophobicContact CH2-CB 4.21Å; W321-P341 HydrophobicContact CZ3-CB 3.75Å; W321-P341 HydrophobicContact CZ3-CG 4.42Å
322R83.3Confident72Confident41 Ų4167.5 Ų67.516%0.15535%0.349CS..PPolyproline II helixtrans-64.8137.5178.4-169.1175.7-69.6-162.6-0.3111.5F25 L47 E49 F326F25-R322 HydrophobicContact CE2-CG 4.34Å; F25-R322 HydrophobicContact CZ-CG 4.27Å; L47-R322 HydrophobicContact CD1-CB 4.39Å; L47-R322 HydrophobicContact CD1-CG 4.26Å; L47-R322 HydrophobicContact CD2-CB 4.23Å; E49-R322 IonicContact OE1-CZ 3.26Å; E49-R322 IonicContact OE1-NE 3Å; E49-R322 PolarHBondContact OE1-NE 3.34Å; E49-R322 IonicContact OE1-NH2 2.64Å; E49-R322 PolarHBondContact OE1-NH2 2.86Å; E49-R322 IonicContact OE2-CZ 2.7Å; E49-R322 IonicContact OE2-NH2 3.75Å; E49-R322 PolarHBondContact OE2-NH2 3.06Å; R322-F326 VanDerWaalsContact CD-O 3.31Å; R322-F326 WeakPolarHBondContact CD-O 3.43Å; R322-F326 HydrophobicContact CG-CB 4.05Å
323P78.4Confident69.4Low6 Ų666.9 Ų66.94%0.03935%0.354CS..PPolyproline II helixtrans-60.7139.8173.9-18.930.1000111.1L313 N325 F326L313-P323 HydrophobicContact CD1-CB 4.03Å; L313-P323 HydrophobicContact CD1-CG 4.04Å; P323-N325 PolarHBondContact O-N 3.49Å; P323-N325 VanDerWaalsContact O-N 3.09Å; P323-F326 HydrophobicContact CB-CD2 4.24Å; P323-F326 HydrophobicContact CG-CD2 4.49Å; P323-F326 PolarHBondContact O-N 3.37Å
324A69.7Low66.9Low76 Ų7669.6 Ų69.663%0.62838%0.377SS*.G310 helixtrans-53.3-37.3-171.800000113.7F326 N327A324-F326 PolarHBondContact O-N 3.02Å; A324-F326 VanDerWaalsContact O-N 3.12Å; A324-N327 PolarHBondContact O-N 3.03Å
325N69.2Low64Low62 Ų6274.6 Ų74.633%0.33240%0.403SS..G310 helixtrans-64.8-15.6179.7-62.1-17.1000114T304 V306 P323T304-N325 WeakPolarHBondContact CG2-O 3.39Å; V306-N325 WeakPolarHBondContact CG1-ND2 3.36Å; V306-N325 HydrophobicContact CG2-CB 3.78Å; V306-N325 WeakPolarHBondContact CG2-ND2 3.22Å; P323-N325 PolarHBondContact O-N 3.49Å; P323-N325 VanDerWaalsContact O-N 3.09Å
326F69.9Low61.5Low19 Ų1976.7 Ų76.78%0.08341%0.413CS..G310 helixtrans-1087.7-179-70.7-82.3000113.7F17 F25 T304 L313 R322 P323 A324 S328F17-F326 HydrophobicContact CE1-CZ 4.15Å; F17-F326 HydrophobicContact CZ-CZ 4.12Å; F25-F326 HydrophobicContact CE1-CB 4.21Å; F25-F326 AromaticContact CE1-CD1 3.97Å; F25-F326 HydrophobicContact CE1-CD1 3.97Å; F25-F326 AromaticContact CE1-CD2 3.6Å; F25-F326 HydrophobicContact CE1-CD2 3.6Å; F25-F326 HydrophobicContact CE1-CE1 4.21Å; F25-F326 AromaticContact CE1-CE2 3.88Å; F25-F326 HydrophobicContact CE1-CE2 3.88Å; F25-F326 AromaticContact CE1-CG 3.64Å; F25-F326 HydrophobicContact CE1-CG 3.64Å; F25-F326 HydrophobicContact CE1-CZ 4.16Å; F25-F326 HydrophobicContact CZ-CB 3.91Å; F25-F326 HydrophobicContact CZ-CD1 4.34Å; F25-F326 HydrophobicContact CZ-CD2 4.12Å; F25-F326 AromaticContact CZ-CG 3.86Å; F25-F326 HydrophobicContact CZ-CG 3.86Å; T304-F326 HydrophobicContact CG2-CD1 4.3Å; T304-F326 HydrophobicContact CG2-CE1 4.24Å; T304-F326 WeakPolarHBondContact OG1-CE1 3.21Å; L313-F326 HydrophobicContact CD1-CD2 4.11Å; L313-F326 HydrophobicContact CD1-CE2 3.55Å; L313-F326 HydrophobicContact CD2-CE2 4.23Å; R322-F326 VanDerWaalsContact CD-O 3.31Å; R322-F326 WeakPolarHBondContact CD-O 3.43Å; R322-F326 HydrophobicContact CG-CB 4.05Å; P323-F326 HydrophobicContact CB-CD2 4.24Å; P323-F326 HydrophobicContact CG-CD2 4.49Å; P323-F326 PolarHBondContact O-N 3.37Å; A324-F326 PolarHBondContact O-N 3.02Å; A324-F326 VanDerWaalsContact O-N 3.12Å; F326-S328 PolarHBondContact O-N 2.95Å
327N61.3Low59.2Low71 Ų7182.4 Ų82.438%0.3844%0.443SS..  trans-66.1124.1169.9-73.4-18000109.1A324A324-N327 PolarHBondContact O-N 3.03Å
328S52Low56.9Low58 Ų5886.6 Ų86.641%0.40647%0.465SS..  trans-61.1145.4174.2-179.20000108.9F326 M330 L331 Q332F326-S328 PolarHBondContact O-N 2.95Å; S328-M330 PolarHBondContact O-N 3.35Å; S328-M330 PolarHBondContact OG-N 2.89Å; S328-L331 PolarHBondContact O-N 2.91Å; S328-Q332 PolarHBondContact O-N 3.23Å
329K42.3Very low54.7Low186 Ų18689 Ų8981%0.80949%0.486SS*.THydrogen-bonded Turntrans-52-25.3167.6-70.2-173.9176.8-176.30112.2
330M33Very low52.7Low147 Ų14790.4 Ų90.472%0.72449%0.494SS*.THydrogen-bonded Turntrans-72.8-25.8172.6-94.1-179.969.200115.1S328 S333S328-M330 PolarHBondContact O-N 3.35Å; S328-M330 PolarHBondContact OG-N 2.89Å; M330-S333 PolarHBondContact O-OG 2.76Å
331L35.8Very low50.9Low95 Ų9593.5 Ų93.550%0.49751%0.514SS..THydrogen-bonded Turntrans-82.4-18.3175.7-10588.3000112.3S328 S333 A334S328-L331 PolarHBondContact O-N 2.91Å; L331-S333 PolarHBondContact O-N 2.98Å; L331-A334 PolarHBondContact O-N 3.08Å
332Q33.3Very low49.8Very low162 Ų16289.9 Ų89.976%0.75751%0.512SS*.SBendtrans-65-19.5171-73178.2-3.600112.5S328S328-Q332 PolarHBondContact O-N 3.23Å
333S31.9Very low49.2Very low101 Ų10191.4 Ų91.471%0.70652%0.523SS*.SBendtrans-103.4-9.3175.957.40000114.7M330 L331M330-S333 PolarHBondContact O-OG 2.76Å; L331-S333 PolarHBondContact O-N 2.98Å
334A34.3Very low49.2Very low59 Ų5991.5 Ų91.549%0.48852%0.523SS..SBendtrans-102.398.3-179.600000109.1L331L331-A334 PolarHBondContact O-N 3.08Å
335N31.5Very low49.8Very low129 Ų12989.6 Ų89.669%0.6950%0.504SS*.  trans30.8111165.7-66-11.1000117.1D337 D338N335-D337 PolarHBondContact O-N 2.97Å; N335-D338 PolarHBondContact O-N 3Å
336T36.4Very low50.5Low119 Ų11988.9 Ų88.973%0.7350%0.504SS*.G310 helixtrans-51.9-12.7172.432.10000115.9S339T336-S339 PolarHBondContact O-N 3.29Å; T336-S339 PolarHBondContact O-OG 3Å
337D39.6Very low51.3Low124 Ų12490.4 Ų90.466%0.66352%0.518SS*.G310 helixtrans-72.3-26.5-178.9-74.4-7.3000114.5N335 S339N335-D337 PolarHBondContact O-N 2.97Å; D337-S339 PolarHBondContact O-N 3.09Å
338D44.4Very low52.6Low88 Ų8887.1 Ų87.147%0.47150%0.5SS..G310 helixtrans-78.13.4177.2-83.3-32.5000112.3N335 S346N335-D338 PolarHBondContact O-N 3Å; D338-S346 PolarHBondContact OD1-N 3.31Å; D338-S346 VanDerWaalsContact OD1-N 3.12Å; D338-S346 PolarHBondContact OD2-OG 2.71Å
339S44.6Very low54.4Low86 Ų8689.6 Ų89.660%0.60150%0.504SS*.G310 helixtrans-103.9-2.2-177.372.50000115.3T336 D337T336-S339 PolarHBondContact O-N 3.29Å; T336-S339 PolarHBondContact O-OG 3Å; D337-S339 PolarHBondContact O-N 3.09Å
340E47Very low56.7Low123 Ų12389.4 Ų89.458%0.57550%0.503SS*.SBendtrans-69.6129.8175.3-79.2-168157.400111.7G342 N343E340-G342 PolarHBondContact O-N 3.25Å; E340-G342 VanDerWaalsContact O-N 3.13Å; E340-N343 PolarHBondContact O-N 3.28Å; E340-N343 PolarHBondContact OE2-ND2 2.64Å
341P49.7Very low59.5Low98 Ų9884.7 Ų84.764%0.63649%0.487SS*.THydrogen-bonded Turntrans-54.2117.9170.4-22.232000110.7W321W321-P341 HydrophobicContact CE3-CB 4.21Å; W321-P341 HydrophobicContact CH2-CB 4.21Å; W321-P341 HydrophobicContact CZ3-CB 3.75Å; W321-P341 HydrophobicContact CZ3-CG 4.42Å
342G58.2Low62.2Low37 Ų3782.2 Ų82.238%0.38148%0.484SS..THydrogen-bonded Turntrans106.6-5.6172.400000116E340E340-G342 PolarHBondContact O-N 3.25Å; E340-G342 VanDerWaalsContact O-N 3.13Å
343N70.9Confident65.1Low73 Ų7375.3 Ų75.339%0.3945%0.451SS..PPolyproline II helixtrans-91.7133.2176.6-90.2-43.5000112.7E340E340-N343 PolarHBondContact O-N 3.28Å; E340-N343 PolarHBondContact OE2-ND2 2.64Å
344I77.4Confident67.9Low8 Ų874.2 Ų74.24%0.04144%0.44CS..PPolyproline II helixtrans-60.7130.9170.1-60.3177.7000109.5L348 K349 E355 L358I344-L348 HydrophobicContact CG2-CB 3.49Å; I344-L348 VanDerWaalsContact CG2-CB 3.49Å; I344-L348 HydrophobicContact CG2-CD1 4.05Å; I344-L348 HydrophobicContact CG2-CG 4.42Å; I344-K349 HydrophobicContact CB-CG 4.19Å; I344-K349 HydrophobicContact CG2-CG 3.98Å; I344-K349 WeakPolarHBondContact O-CE 3.23Å; I344-E355 HydrophobicContact CD1-CB 4.24Å; I344-E355 HydrophobicContact CD1-CG 3.48Å; I344-E355 VanDerWaalsContact CD1-CG 3.48Å; I344-E355 HydrophobicContact CG1-CG 3.88Å; I344-L358 HydrophobicContact CD1-CD1 3.92Å; I344-L358 HydrophobicContact CG1-CD1 4.2Å
345P83.2Confident70.5Confident36 Ų3675.2 Ų75.223%0.23444%0.435CS..PPolyproline II helixtrans-52.4140.3175.4-29.136.2000113.2E49 S347 L348 K349E49-P345 HydrophobicContact CG-CG 4.49Å; P345-S347 PolarHBondContact O-N 3.25Å; P345-S347 VanDerWaalsContact O-N 3.1Å; P345-L348 PolarHBondContact O-N 3.06Å; P345-K349 PolarHBondContact O-N 3.08Å; P345-K349 VanDerWaalsContact O-N 3.12Å
346S84.7Confident73.4Confident47 Ų4775.3 Ų75.333%0.32944%0.435SS..Hα-helixtrans-52.8-33.4179.561.50000114.4D338 K349 K350D338-S346 PolarHBondContact OD1-N 3.31Å; D338-S346 VanDerWaalsContact OD1-N 3.12Å; D338-S346 PolarHBondContact OD2-OG 2.71Å; S346-K349 PolarHBondContact O-N 2.92Å; S346-K350 VanDerWaalsContact O-CG 3.31Å; S346-K350 WeakPolarHBondContact O-CG 3.47Å; S346-K350 PolarHBondContact O-N 3.01Å
347S85.6Confident76.1Confident52 Ų5273.6 Ų73.636%0.36442%0.418SS..Hα-helixtrans-63-41.817446.50000113.5E49 P345 K350 A351E49-S347 WeakPolarHBondContact O-CB 3.04Å; E49-S347 PolarHBondContact O-OG 2.98Å; P345-S347 PolarHBondContact O-N 3.25Å; P345-S347 VanDerWaalsContact O-N 3.1Å; S347-K350 PolarHBondContact O-N 3.28Å; S347-A351 PolarHBondContact O-N 3.48Å; S347-A351 VanDerWaalsContact O-N 3.12Å
348L88.7Confident78.7Confident1 Ų167.9 Ų67.91%0.00539%0.387CS..Hα-helixtrans-70.3-41.1176-83.3-169.2000111.3L48 S50 V54 I344 P345 K350 A351 G352 Y353 L358L48-L348 HydrophobicContact CB-CD1 4.13Å; L48-L348 WeakPolarHBondContact O-CD1 3.25Å; S50-L348 WeakPolarHBondContact O-CD2 3.25Å; V54-L348 HydrophobicContact CG2-CD1 4.36Å; V54-L348 HydrophobicContact CG2-CD2 3.9Å; I344-L348 HydrophobicContact CG2-CB 3.49Å; I344-L348 VanDerWaalsContact CG2-CB 3.49Å; I344-L348 HydrophobicContact CG2-CD1 4.05Å; I344-L348 HydrophobicContact CG2-CG 4.42Å; P345-L348 PolarHBondContact O-N 3.06Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 3.04Å; L348-A351 CarbonylContact O-C 3.51Å; L348-A351 WeakPolarHBondContact O-CA 3.46Å; L348-A351 PolarHBondContact O-N 3.28Å; L348-G352 PolarHBondContact O-N 3.35Å; L348-Y353 HydrophobicContact CB-CD2 4.4Å; L348-Y353 HydrophobicContact CD2-CD2 3.64Å; L348-Y353 HydrophobicContact CD2-CE2 3.96Å; L348-Y353 HydrophobicContact CD2-CG 4.19Å; L348-Y353 WeakPolarHBondContact O-CB 3.42Å; L348-Y353 PolarHBondContact O-N 3.28Å; L348-L358 HydrophobicContact CD1-CD1 4.37Å
349K90.2Very high80.9Confident111 Ų11167 Ų6748%0.48338%0.383SS..Hα-helixtrans-56.8-44.4173.5-69.4179.4177.5170.50111.1I344 P345 S346 A351 G352I344-K349 HydrophobicContact CB-CG 4.19Å; I344-K349 HydrophobicContact CG2-CG 3.98Å; I344-K349 WeakPolarHBondContact O-CE 3.23Å; P345-K349 PolarHBondContact O-N 3.08Å; P345-K349 VanDerWaalsContact O-N 3.12Å; S346-K349 PolarHBondContact O-N 2.92Å; K349-A351 VanDerWaalsContact C-N 3.29Å; K349-A351 PolarHBondContact O-N 3.38Å; K349-G352 WeakPolarHBondContact O-CA 3.47Å; K349-G352 PolarHBondContact O-N 3Å
350K90.9Very high83.3Confident182 Ų18269.1 Ų69.179%0.79139%0.386SS*.Hα-helixtrans-62.6-32.3174.9-74.7172.5-177.3174.90113.5S346 S347 L348 G352S346-K350 VanDerWaalsContact O-CG 3.31Å; S346-K350 WeakPolarHBondContact O-CG 3.47Å; S346-K350 PolarHBondContact O-N 3.01Å; S347-K350 PolarHBondContact O-N 3.28Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 3.04Å; K350-G352 PolarHBondContact O-N 3.25Å
351A91Very high85.6Confident47 Ų4766.6 Ų66.639%0.38838%0.376SS..THydrogen-bonded Turntrans-79.35.8172.800000113.4D51 S347 L348 K349 Y353D51-A351 HydrophobicContact CB-CB 4.19Å; S347-A351 PolarHBondContact O-N 3.48Å; S347-A351 VanDerWaalsContact O-N 3.12Å; L348-A351 CarbonylContact O-C 3.51Å; L348-A351 WeakPolarHBondContact O-CA 3.46Å; L348-A351 PolarHBondContact O-N 3.28Å; K349-A351 VanDerWaalsContact C-N 3.29Å; K349-A351 PolarHBondContact O-N 3.38Å; A351-Y353 HydrophobicContact CB-CD2 3.88Å; A351-Y353 HydrophobicContact CB-CE2 3.99Å
352G93.1Very high87.8Confident43 Ų4362 Ų6244%0.44335%0.347SS..THydrogen-bonded Turntrans7828.1176.500000113.9L348 K349 K350 K357L348-G352 PolarHBondContact O-N 3.35Å; K349-G352 WeakPolarHBondContact O-CA 3.47Å; K349-G352 PolarHBondContact O-N 3Å; K350-G352 PolarHBondContact O-N 3.25Å; G352-K357 WeakPolarHBondContact O-CD 3.48Å; G352-K357 PolarHBondContact O-NZ 2.68Å
353Y93.6Very high89.5Confident18 Ų1864.6 Ų64.67%0.07136%0.359CS..  trans-89.8133169.6-69.1-88.1000111.3D51 V54 L348 A351 K357 L358 L361D51-Y353 HydrophobicContact CB-CE2 4.09Å; D51-Y353 VanDerWaalsContact OD1-CE2 3.29Å; D51-Y353 WeakPolarHBondContact OD1-CE2 3.43Å; D51-Y353 PolarHBondContact OD1-OH 2.72Å; V54-Y353 HydrophobicContact CB-CE1 4.4Å; V54-Y353 HydrophobicContact CG1-CE1 3.88Å; V54-Y353 HydrophobicContact CG2-CE1 4.37Å; L348-Y353 HydrophobicContact CB-CD2 4.4Å; L348-Y353 HydrophobicContact CD2-CD2 3.64Å; L348-Y353 HydrophobicContact CD2-CE2 3.96Å; L348-Y353 HydrophobicContact CD2-CG 4.19Å; L348-Y353 WeakPolarHBondContact O-CB 3.42Å; L348-Y353 PolarHBondContact O-N 3.28Å; A351-Y353 HydrophobicContact CB-CD2 3.88Å; A351-Y353 HydrophobicContact CB-CE2 3.99Å; Y353-K357 HydrophobicContact CD1-CD 4.11Å; Y353-L358 HydrophobicContact CD1-CD2 3.57Å; Y353-L358 HydrophobicContact CD1-CG 4.13Å; Y353-L358 HydrophobicContact CE1-CD2 4.11Å; Y353-L358 HydrophobicContact CG-CD2 4.3Å; Y353-L361 HydrophobicContact CD1-CD1 4.27Å; Y353-L361 HydrophobicContact CE1-CD1 3.69Å
354T91.9Very high90.5Very high77 Ų7765.2 Ų65.247%0.47237%0.369SS..  trans-116.4168.6168.162.30000109K357 L358T354-K357 PolarHBondContact O-N 2.8Å; T354-K357 WeakPolarHBondContact OG1-CB 3.29Å; T354-K357 PolarHBondContact OG1-N 3.41Å; T354-L358 PolarHBondContact O-N 2.71Å
355E88.1Confident91.4Very high80 Ų8065 Ų6537%0.37437%0.368SS..Hα-helixtrans-58.4-54.1177.6-74.2-170.7-165.300110.4Y88 I344 K357 L358 D359Y88-E355 HydrophobicContact CE1-CB 4.15Å; Y88-E355 HydrophobicContact CE1-CG 3.95Å; Y88-E355 HydrophobicContact CE2-CG 4.39Å; Y88-E355 WeakPolarHBondContact OH-CB 3.38Å; Y88-E355 WeakPolarHBondContact OH-CG 3.31Å; Y88-E355 PolarHBondContact OH-OE2 3.17Å; I344-E355 HydrophobicContact CD1-CB 4.24Å; I344-E355 HydrophobicContact CD1-CG 3.48Å; I344-E355 VanDerWaalsContact CD1-CG 3.48Å; I344-E355 HydrophobicContact CG1-CG 3.88Å; E355-K357 PolarHBondContact O-N 2.84Å; E355-K357 VanDerWaalsContact O-N 3.17Å; E355-L358 PolarHBondContact O-N 3.42Å; E355-D359 PolarHBondContact O-N 3Å
356D91.7Very high92Very high131 Ų13167.2 Ų67.270%0.70138%0.378SS*.Hα-helixtrans-55-37.5175.6-57.9-31.1000113.3L360D356-L360 VanDerWaalsContact O-CB 3.26Å; D356-L360 WeakPolarHBondContact O-CB 3.04Å; D356-L360 PolarHBondContact O-N 2.81Å
357K93.4Very high92.5Very high84 Ų8465.9 Ų65.937%0.36537%0.366SS..Hα-helixtrans-70.2-40.3179.5-172.1-174.6-176.9-170.80111.1G352 Y353 T354 E355 L361G352-K357 WeakPolarHBondContact O-CD 3.48Å; G352-K357 PolarHBondContact O-NZ 2.68Å; Y353-K357 HydrophobicContact CD1-CD 4.11Å; T354-K357 PolarHBondContact O-N 2.8Å; T354-K357 WeakPolarHBondContact OG1-CB 3.29Å; T354-K357 PolarHBondContact OG1-N 3.41Å; E355-K357 PolarHBondContact O-N 2.84Å; E355-K357 VanDerWaalsContact O-N 3.17Å; K357-L361 HydrophobicContact CG-CD1 4.33Å; K357-L361 WeakPolarHBondContact O-CB 3.2Å; K357-L361 VanDerWaalsContact O-CG 3.24Å; K357-L361 WeakPolarHBondContact O-CG 3.32Å; K357-L361 PolarHBondContact O-N 3.1Å
358L93.4Very high92.9Very high4 Ų465.1 Ų65.12%0.02136%0.357CS..Hα-helixtrans-66-46.4175.1-71.6171.7000110.2V54 W85 Y88 I344 L348 Y353 T354 E355 L360 L361 F362V54-L358 HydrophobicContact CG1-CD2 4.49Å; V54-L358 HydrophobicContact CG2-CD2 4.15Å; W85-L358 HydrophobicContact CH2-CB 4.36Å; W85-L358 HydrophobicContact CZ2-CB 4.15Å; Y88-L358 HydrophobicContact CD1-CD1 4.46Å; I344-L358 HydrophobicContact CD1-CD1 3.92Å; I344-L358 HydrophobicContact CG1-CD1 4.2Å; L348-L358 HydrophobicContact CD1-CD1 4.37Å; Y353-L358 HydrophobicContact CD1-CD2 3.57Å; Y353-L358 HydrophobicContact CD1-CG 4.13Å; Y353-L358 HydrophobicContact CE1-CD2 4.11Å; Y353-L358 HydrophobicContact CG-CD2 4.3Å; T354-L358 PolarHBondContact O-N 2.71Å; E355-L358 PolarHBondContact O-N 3.42Å; L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 PolarHBondContact O-N 3.06Å; L358-L361 PolarHBondContact O-N 3.49Å; L358-L361 VanDerWaalsContact O-N 3.13Å; L358-F362 HydrophobicContact CD2-CE2 4.41Å; L358-F362 WeakPolarHBondContact O-CB 3.37Å; L358-F362 VanDerWaalsContact O-CD2 3.29Å; L358-F362 WeakPolarHBondContact O-CD2 3.41Å; L358-F362 PolarHBondContact O-N 3.09Å
359D92.6Very high93.2Very high69 Ų6965.4 Ų65.437%0.36936%0.359SS..Hα-helixtrans-60.4-39.4177-78.5-24.9000112.4W85 E355 F362 S363W85-D359 PolarHBondContact NE1-OD1 2.81Å; E355-D359 PolarHBondContact O-N 3Å; D359-F362 CarbonylContact O-C 3.46Å; D359-F362 PolarHBondContact O-N 2.97Å; D359-S363 WeakPolarHBondContact O-CA 3.49Å; D359-S363 WeakPolarHBondContact O-CB 3.27Å; D359-S363 PolarHBondContact O-N 3.45Å
360L94.6Very high93.3Very high130 Ų13062.9 Ų62.968%0.68135%0.353SS*.Hα-helixtrans-63.1-45.5174.2-177.762.1000111.9D356 L358 F362 S363D356-L360 VanDerWaalsContact O-CB 3.26Å; D356-L360 WeakPolarHBondContact O-CB 3.04Å; D356-L360 PolarHBondContact O-N 2.81Å; L358-L360 VanDerWaalsContact C-N 3.29Å; L358-L360 PolarHBondContact O-N 3.06Å; L360-F362 VanDerWaalsContact C-N 3.3Å; L360-F362 PolarHBondContact O-N 3.07Å; L360-S363 WeakPolarHBondContact O-CB 3.46Å; L360-S363 PolarHBondContact O-N 2.95Å; L360-S363 PolarHBondContact O-OG 3.36Å
361L95.3Very high93.2Very high70 Ų7056.2 Ų56.237%0.36633%0.33SS..Hα-helixtrans-64.7-33.1178.6-75.3170.9000112.8V54 L58 Y353 K357 L358V54-L361 HydrophobicContact CG1-CD1 4.45Å; L58-L361 HydrophobicContact CD1-CB 4.19Å; L58-L361 HydrophobicContact CD1-CD2 4.31Å; Y353-L361 HydrophobicContact CD1-CD1 4.27Å; Y353-L361 HydrophobicContact CE1-CD1 3.69Å; K357-L361 HydrophobicContact CG-CD1 4.33Å; K357-L361 WeakPolarHBondContact O-CB 3.2Å; K357-L361 VanDerWaalsContact O-CG 3.24Å; K357-L361 WeakPolarHBondContact O-CG 3.32Å; K357-L361 PolarHBondContact O-N 3.1Å; L358-L361 PolarHBondContact O-N 3.49Å; L358-L361 VanDerWaalsContact O-N 3.13Å
362F95.3Very high93.2Very high2 Ų255.1 Ų55.11%0.00932%0.318CS..THydrogen-bonded Turntrans-99.79.9-178.8-75-104.6000113.1L48 V54 V57 L58 W85 L358 D359 L360 S364 F365L48-F362 HydrophobicContact CD1-CE1 4.41Å; L48-F362 HydrophobicContact CD1-CE2 4.05Å; L48-F362 HydrophobicContact CD1-CZ 3.77Å; L48-F362 HydrophobicContact CD2-CZ 4.25Å; V54-F362 HydrophobicContact CG1-CE2 4.14Å; V57-F362 HydrophobicContact CB-CZ 4.49Å; V57-F362 HydrophobicContact CG1-CE1 3.73Å; V57-F362 HydrophobicContact CG1-CZ 3.99Å; L58-F362 HydrophobicContact CD1-CE2 4.42Å; L58-F362 HydrophobicContact CD2-CD1 4.28Å; L58-F362 HydrophobicContact CD2-CD2 4.1Å; L58-F362 HydrophobicContact CD2-CE1 4.08Å; L58-F362 HydrophobicContact CD2-CE2 3.92Å; L58-F362 HydrophobicContact CD2-CG 4.28Å; L58-F362 HydrophobicContact CD2-CZ 3.89Å; L58-F362 HydrophobicContact CG-CE2 4.2Å; L58-F362 HydrophobicContact CG-CZ 4.14Å; W85-F362 HydrophobicContact CB-CB 4.26Å; W85-F362 HydrophobicContact CB-CD1 4.44Å; W85-F362 HydrophobicContact CD2-CB 3.5Å; W85-F362 AromaticContact CD2-CD1 3.74Å; W85-F362 HydrophobicContact CD2-CD1 3.74Å; W85-F362 AromaticContact CD2-CG 3.72Å; W85-F362 HydrophobicContact CD2-CG 3.72Å; W85-F362 AromaticContact CE2-CG 3.97Å; W85-F362 HydrophobicContact CE3-CB 4.12Å; W85-F362 AromaticContact CE3-CD1 3.44Å; W85-F362 HydrophobicContact CE3-CD1 3.44Å; W85-F362 VanDerWaalsContact CE3-CD1 3.44Å; W85-F362 AromaticContact CE3-CE1 3.95Å; W85-F362 HydrophobicContact CE3-CE1 3.95Å; W85-F362 AromaticContact CE3-CG 3.79Å; W85-F362 HydrophobicContact CE3-CG 3.79Å; W85-F362 HydrophobicContact CG-CB 3.58Å; W85-F362 HydrophobicContact CG-CD1 4.21Å; W85-F362 HydrophobicContact CG-CG 4.22Å; W85-F362 HydrophobicContact CH2-CD2 4.24Å; W85-F362 HydrophobicContact CH2-CG 4.24Å; W85-F362 HydrophobicContact CZ2-CB 4.2Å; W85-F362 HydrophobicContact CZ2-CD2 4.37Å; W85-F362 HydrophobicContact CZ2-CG 4.23Å; W85-F362 AromaticContact CZ3-CD1 3.88Å; W85-F362 HydrophobicContact CZ3-CD1 3.88Å; W85-F362 HydrophobicContact CZ3-CD2 4.35Å; W85-F362 HydrophobicContact CZ3-CE1 4.04Å; W85-F362 HydrophobicContact CZ3-CE2 4.48Å; W85-F362 HydrophobicContact CZ3-CG 4.06Å; W85-F362 HydrophobicContact CZ3-CZ 4.35Å; L358-F362 HydrophobicContact CD2-CE2 4.41Å; L358-F362 WeakPolarHBondContact O-CB 3.37Å; L358-F362 VanDerWaalsContact O-CD2 3.29Å; L358-F362 WeakPolarHBondContact O-CD2 3.41Å; L358-F362 PolarHBondContact O-N 3.09Å; D359-F362 CarbonylContact O-C 3.46Å; D359-F362 PolarHBondContact O-N 2.97Å; L360-F362 VanDerWaalsContact C-N 3.3Å; L360-F362 PolarHBondContact O-N 3.07Å; F362-S364 VanDerWaalsContact C-N 3.26Å; F362-S364 PolarHBondContact O-N 3.01Å; F362-F365 HydrophobicContact CB-CB 4Å; F362-F365 HydrophobicContact CD1-CB 3.93Å; F362-F365 HydrophobicContact CD1-CD1 4.24Å; F362-F365 AromaticContact CD1-CD2 3.27Å; F362-F365 HydrophobicContact CD1-CD2 3.27Å; F362-F365 AromaticContact CD1-CE2 3.7Å; F362-F365 HydrophobicContact CD1-CE2 3.7Å; F362-F365 AromaticContact CD1-CG 3.57Å; F362-F365 HydrophobicContact CD1-CG 3.57Å; F362-F365 HydrophobicContact CD1-CZ 4.3Å; F362-F365 AromaticContact CE1-CD2 3.6Å; F362-F365 HydrophobicContact CE1-CD2 3.6Å; F362-F365 AromaticContact CE1-CE2 3.51Å; F362-F365 HydrophobicContact CE1-CE2 3.51Å; F362-F365 HydrophobicContact CE1-CG 4.25Å; F362-F365 HydrophobicContact CE1-CZ 4.08Å; F362-F365 HydrophobicContact CG-CB 4.42Å; F362-F365 HydrophobicContact CG-CD2 4.3Å; F362-F365 HydrophobicContact CG-CG 4.49Å; F362-F365 WeakPolarHBondContact O-CB 3.5Å; F362-F365 PolarHBondContact O-N 3.17Å
363S93.7Very high92.5Very high91 Ų9158.7 Ų58.764%0.63632%0.322SS*.THydrogen-bonded Turntrans-58.4-32.5-175.6560000114.3D359 L360D359-S363 WeakPolarHBondContact O-CA 3.49Å; D359-S363 WeakPolarHBondContact O-CB 3.27Å; D359-S363 PolarHBondContact O-N 3.45Å; L360-S363 WeakPolarHBondContact O-CB 3.46Å; L360-S363 PolarHBondContact O-N 2.95Å; L360-S363 PolarHBondContact O-OG 3.36Å
364S92.8Very high91Very high87 Ų8761.3 Ų61.361%0.60835%0.348SS*.THydrogen-bonded Turntrans-101.312.8174.463.30000113.8R61 F362 N366R61-S364 PolarHBondContact NH2-O 3.41Å; F362-S364 VanDerWaalsContact C-N 3.26Å; F362-S364 PolarHBondContact O-N 3.01Å; S364-N366 PolarHBondContact O-N 3.46Å
365F95.7Very high89Confident3 Ų362.4 Ų62.41%0.01336%0.359CS..  trans-70.1-33.7-173.8-166.4-91.2000112.5V57 R61 S83 M84 W85 F92 F362 F367V57-F365 HydrophobicContact CG1-CE2 3.58Å; V57-F365 HydrophobicContact CG1-CZ 3.81Å; R61-F365 HydrophobicContact CB-CD2 4.15Å; R61-F365 HydrophobicContact CB-CE2 3.73Å; R61-F365 HydrophobicContact CG-CD2 3.65Å; R61-F365 HydrophobicContact CG-CE2 3.68Å; R61-F365 HydrophobicContact CG-CG 4.4Å; R61-F365 HydrophobicContact CG-CZ 4.48Å; R61-F365 PolarHBondContact NE-O 3.06Å; S83-F365 WeakPolarHBondContact CB-O 3.42Å; S83-F365 PolarHBondContact OG-O 3.4Å; M84-F365 WeakPolarHBondContact O-CD1 3.35Å; M84-F365 WeakPolarHBondContact O-CE1 3.47Å; W85-F365 HydrophobicContact CB-CB 3.86Å; W85-F365 HydrophobicContact CB-CD1 3.72Å; W85-F365 HydrophobicContact CB-CG 4.06Å; F92-F365 HydrophobicContact CD1-CE1 4.34Å; F92-F365 AromaticContact CD1-CZ 3.97Å; F92-F365 HydrophobicContact CD1-CZ 3.97Å; F92-F365 AromaticContact CE1-CE1 3.99Å; F92-F365 HydrophobicContact CE1-CE1 3.99Å; F92-F365 AromaticContact CE1-CE2 3.76Å; F92-F365 HydrophobicContact CE1-CE2 3.76Å; F92-F365 AromaticContact CE1-CZ 3.24Å; F92-F365 HydrophobicContact CE1-CZ 3.24Å; F92-F365 HydrophobicContact CZ-CE2 4.31Å; F92-F365 HydrophobicContact CZ-CZ 4.05Å; F362-F365 HydrophobicContact CB-CB 4Å; F362-F365 HydrophobicContact CD1-CB 3.93Å; F362-F365 HydrophobicContact CD1-CD1 4.24Å; F362-F365 AromaticContact CD1-CD2 3.27Å; F362-F365 HydrophobicContact CD1-CD2 3.27Å; F362-F365 AromaticContact CD1-CE2 3.7Å; F362-F365 HydrophobicContact CD1-CE2 3.7Å; F362-F365 AromaticContact CD1-CG 3.57Å; F362-F365 HydrophobicContact CD1-CG 3.57Å; F362-F365 HydrophobicContact CD1-CZ 4.3Å; F362-F365 AromaticContact CE1-CD2 3.6Å; F362-F365 HydrophobicContact CE1-CD2 3.6Å; F362-F365 AromaticContact CE1-CE2 3.51Å; F362-F365 HydrophobicContact CE1-CE2 3.51Å; F362-F365 HydrophobicContact CE1-CG 4.25Å; F362-F365 HydrophobicContact CE1-CZ 4.08Å; F362-F365 HydrophobicContact CG-CB 4.42Å; F362-F365 HydrophobicContact CG-CD2 4.3Å; F362-F365 HydrophobicContact CG-CG 4.49Å; F362-F365 WeakPolarHBondContact O-CB 3.5Å; F362-F365 PolarHBondContact O-N 3.17Å; F365-F367 PolarHBondContact O-N 3.15Å
366N95.5Very high87.1Confident82 Ų8265.8 Ų65.844%0.43939%0.385SS..  trans-64.3127.9178.5-73-20.7000111S83 M84 W85 S364S83-N366 VanDerWaalsContact O-CA 3.3Å; S83-N366 WeakPolarHBondContact O-CA 3.34Å; M84-N366 VanDerWaalsContact CA-OD1 3.29Å; M84-N366 WeakPolarHBondContact CA-OD1 3.47Å; W85-N366 PolarHBondContact N-OD1 3.23Å; S364-N366 PolarHBondContact O-N 3.46Å
367F95.4Very high84.6Confident19 Ų1963.6 Ų63.68%0.08338%0.384CS..EExtended strand (participates in β ladder)trans-146.9145.5-175-176.8-100.6000111.3E65 A68 L69 L80 Y82 S83 F365 H369E65-F367 HydrophobicContact CG-CD2 4.24Å; E65-F367 HydrophobicContact CG-CE2 3.9Å; E65-F367 HydrophobicContact CG-CZ 4.48Å; E65-F367 WeakPolarHBondContact OE1-CD2 3.38Å; A68-F367 HydrophobicContact CB-CE1 3.8Å; A68-F367 HydrophobicContact CB-CZ 3.69Å; L69-F367 HydrophobicContact CD2-CE2 4.23Å; L69-F367 HydrophobicContact CD2-CZ 4.33Å; L69-F367 HydrophobicContact CG-CE2 4.49Å; L80-F367 HydrophobicContact CD2-CD1 3.82Å; L80-F367 HydrophobicContact CD2-CE1 4.22Å; L80-F367 HydrophobicContact CD2-CG 4.43Å; L80-F367 HydrophobicContact CG-CD1 4.08Å; L80-F367 HydrophobicContact CG-CE1 4.37Å; Y82-F367 VanDerWaalsContact CA-O 3.26Å; Y82-F367 WeakPolarHBondContact CA-O 3.4Å; S83-F367 PolarHBondContact N-O 3.19Å; S83-F367 PolarHBondContact O-N 2.88Å; S83-F367 WeakPolarHBondContact OG-CB 3.01Å; F365-F367 PolarHBondContact O-N 3.15Å; F367-H369 VanDerWaalsContact CE1-CA 3.49Å; F367-H369 HydrophobicContact CE1-CB 4.16Å
368I94.9Very high81.9Confident36 Ų3667.2 Ų67.219%0.18541%0.408CS..EExtended strand (participates in β ladder)trans-128.2128.2167.6-54.5-179.1000106.5P7 Y82 L372 Q373P7-I368 HydrophobicContact CG-CG1 4.28Å; Y82-I368 HydrophobicContact CD1-CB 4.27Å; Y82-I368 HydrophobicContact CD1-CG1 4Å; Y82-I368 HydrophobicContact CD1-CG2 4.01Å; Y82-I368 HydrophobicContact CE1-CB 4.38Å; Y82-I368 HydrophobicContact CE1-CG1 4.26Å; Y82-I368 HydrophobicContact CE1-CG2 3.65Å; I368-L372 HydrophobicContact CG2-CB 4.04Å; I368-Q373 HydrophobicContact CB-CG 3.89Å; I368-Q373 HydrophobicContact CG2-CG 3.59Å; I368-Q373 PolarHBondContact O-NE2 2.89Å
369H94.8Very high79.4Confident8 Ų871.6 Ų71.64%0.03744%0.435CS..  trans-56.8136.2177.9-170.2-85.2000111A68 Q73 L80 C81 F367 S371 L372 Q373A68-H369 PolarHBondContact O-NE2 3.3Å; Q73-H369 PolarHBondContact NE2-NE2 3.21Å; L80-H369 WeakPolarHBondContact O-CB 3.29Å; L80-H369 PolarHBondContact O-CD2 3.42Å; L80-H369 VanDerWaalsContact O-CD2 3.24Å; C81-H369 WeakPolarHBondContact O-CB 3.48Å; C81-H369 PolarHBondContact O-N 3.09Å; F367-H369 VanDerWaalsContact CE1-CA 3.49Å; F367-H369 HydrophobicContact CE1-CB 4.16Å; H369-S371 PolarHBondContact CE1-OG 3.23Å; H369-S371 WeakPolarHBondContact ND1-CB 3.44Å; H369-S371 PolarHBondContact ND1-N 2.7Å; H369-S371 VanDerWaalsContact ND1-N 3.2Å; H369-S371 PolarHBondContact ND1-OG 3.37Å; H369-S371 PolarHBondContact O-N 2.57Å; H369-S371 VanDerWaalsContact O-N 3.1Å; H369-L372 HydrophobicContact CB-CD1 4.03Å; H369-L372 HydrophobicContact CB-CG 4.22Å; H369-L372 WeakPolarHBondContact O-CA 3.24Å; H369-L372 WeakPolarHBondContact O-CB 3.29Å; H369-L372 PolarHBondContact O-N 2.93Å; H369-Q373 PolarHBondContact O-N 2.99Å
370P92.2Very high76.7Confident57 Ų5774.6 Ų74.637%0.3745%0.451SS..Hα-helixtrans-52.6-38.1-176.5-29.534.8000114.2L69 L372 Q373L69-P370 HydrophobicContact CD2-CG 3.74Å; P370-L372 PolarHBondContact O-N 3.12Å; P370-Q373 PolarHBondContact O-N 2.73Å; P370-Q373 VanDerWaalsContact O-N 3.15Å
371S89.2Confident74.4Confident42 Ų4276.1 Ų76.129%0.29446%0.458SS..Hα-helixtrans-66.8-16.3177.674.80000114.8H369H369-S371 PolarHBondContact CE1-OG 3.23Å; H369-S371 WeakPolarHBondContact ND1-CB 3.44Å; H369-S371 PolarHBondContact ND1-N 2.7Å; H369-S371 VanDerWaalsContact ND1-N 3.2Å; H369-S371 PolarHBondContact ND1-OG 3.37Å; H369-S371 PolarHBondContact O-N 2.57Å; H369-S371 VanDerWaalsContact O-N 3.1Å
372L89.3Confident71.7Confident25 Ų2577.8 Ų77.813%0.13148%0.476CS..Hα-helixtrans-99.1-11177.7-58.6174.8000111.7D36 C81 Y82 I368 H369 P370D36-L372 HydrophobicContact CB-CD2 4.21Å; C81-L372 HydrophobicContact CB-CD1 3.68Å; Y82-L372 HydrophobicContact CD2-CD1 4.45Å; Y82-L372 HydrophobicContact CE1-CD1 4.35Å; Y82-L372 HydrophobicContact CE2-CD1 3.68Å; I368-L372 HydrophobicContact CG2-CB 4.04Å; H369-L372 HydrophobicContact CB-CD1 4.03Å; H369-L372 HydrophobicContact CB-CG 4.22Å; H369-L372 WeakPolarHBondContact O-CA 3.24Å; H369-L372 WeakPolarHBondContact O-CB 3.29Å; H369-L372 PolarHBondContact O-N 2.93Å; P370-L372 PolarHBondContact O-N 3.12Å
373Q79.2Confident69Low117 Ų11781.1 Ų81.155%0.54749%0.494SS..Hα-helixtrans-83.7-17.8174.5-61.5-176.2800112.7I368 H369 P370 S375I368-Q373 HydrophobicContact CB-CG 3.89Å; I368-Q373 HydrophobicContact CG2-CG 3.59Å; I368-Q373 PolarHBondContact O-NE2 2.89Å; H369-Q373 PolarHBondContact O-N 2.99Å; P370-Q373 PolarHBondContact O-N 2.73Å; P370-Q373 VanDerWaalsContact O-N 3.15Å; Q373-S375 PolarHBondContact O-N 3.12Å
374A62.5Low66.3Low74 Ų7478 Ų7861%0.61247%0.472SS*.  trans-66.294.3-176.900000111.5
375S48.9Very low63.9Low100 Ų10077.6 Ų77.670%0.69946%0.462SS*.  trans-75.3129.1169.758.40000111.6Q373 A377Q373-S375 PolarHBondContact O-N 3.12Å; S375-A377 PolarHBondContact O-N 2.89Å
376V48.1Very low61.5Low151 Ų15180.3 Ų80.392%0.91548%0.482SS*.SBendtrans5854.2142.6-161.40000117.7
377A39.4Very low58.8Low84 Ų8481.7 Ų81.769%0.69448%0.484SS*.SBendtrans-146.1108.9153.400000110.1S375S375-A377 PolarHBondContact O-N 2.89Å
378D37.1Very low56.2Low160 Ų16083.2 Ų83.286%0.85649%0.493SS*.SBendtrans36.792.9162.8-62.4-28.4000117.9
379T40.2Very low53.5Low96 Ų9684.8 Ų84.859%0.58950%0.504SS*.  trans-168.8137.5140.89.30000112.6
380D37.6Very low50.7Low132 Ų13287.5 Ų87.571%0.70652%0.518SS*.  trans-51.9142-176.4-101.9-41.3000115.8S382 D383D380-S382 PolarHBondContact O-N 3.17Å; D380-D383 PolarHBondContact O-N 3.37Å
381I44.6Very low47.4Very low162 Ų16294.6 Ų94.683%0.83154%0.543SS*.THydrogen-bonded Turntrans-63.3-24.4-159.1-67.3158.8000115.6
382S39.2Very low44.5Very low106 Ų10698.2 Ų98.274%0.74156%0.558SS**THydrogen-bonded Turntrans-97-17.1-175.71760000113.3D380 S386D380-S382 PolarHBondContact O-N 3.17Å; S382-S386 PolarHBondContact O-OG 2.88Å
383D39.6Very low41.5Very low71 Ų71104.5 Ų104.538%0.3859%0.592SS.*THydrogen-bonded Turntrans-105.4-16.8-156.6-140.69.4000112.3D380 S386 K387D380-D383 PolarHBondContact O-N 3.37Å; D383-S386 VanDerWaalsContact CA-OG 3.3Å; D383-S386 WeakPolarHBondContact CA-OG 3.19Å; D383-S386 PolarHBondContact O-OG 2.89Å; D383-S386 PolarHBondContact OD1-OG 3.39Å; D383-K387 HydrophobicContact CB-CD 4.2Å; D383-K387 WeakPolarHBondContact O-CB 3.31Å; D383-K387 WeakPolarHBondContact O-CD 3.37Å; D383-K387 WeakPolarHBondContact O-CG 3.48Å; D383-K387 PolarHBondContact O-N 3.13Å; D383-K387 WeakPolarHBondContact OD2-CE 3.04Å; D383-K387 IonicContact OD2-NZ 3.38Å; D383-K387 PolarHBondContact OD2-NZ 2.91Å
384S35.8Very low39Very low27 Ų27105 Ų10519%0.18960%0.603CS.*Hα-helixtrans-72.8-34.8-175.9-61.60000113.4K387 L388S384-K387 PolarHBondContact O-N 3.34Å; S384-L388 WeakPolarHBondContact O-CG 3.48Å; S384-L388 PolarHBondContact O-N 2.58Å
385L42.2Very low37.3Very low77 Ų77107.2 Ų107.240%0.40361%0.611SS.*Hα-helixtrans-74.6-33.2175.6-71.7172.6000112.3S39 L388S39-L385 WeakPolarHBondContact OG-CD1 3.46Å; L385-L388 HydrophobicContact CD2-CD1 3.86Å
386S45.1Very low36.2Very low60 Ų60108.8 Ų108.842%0.4262%0.617SS.*Hα-helixtrans-75-26.2169.143.50000112.8S382 D383 T389S382-S386 PolarHBondContact O-OG 2.88Å; D383-S386 VanDerWaalsContact CA-OG 3.3Å; D383-S386 WeakPolarHBondContact CA-OG 3.19Å; D383-S386 PolarHBondContact O-OG 2.89Å; D383-S386 PolarHBondContact OD1-OG 3.39Å; S386-T389 PolarHBondContact O-N 3.47Å; S386-T389 PolarHBondContact O-OG1 3.02Å
387K40.6Very low35.2Very low111 Ų111109 Ų10948%0.48361%0.613SS.*Hα-helixtrans-79.8-16.1173-77.3166.7-178.2159.80113.9D383 S384 T389D383-K387 HydrophobicContact CB-CD 4.2Å; D383-K387 WeakPolarHBondContact O-CB 3.31Å; D383-K387 WeakPolarHBondContact O-CD 3.37Å; D383-K387 WeakPolarHBondContact O-CG 3.48Å; D383-K387 PolarHBondContact O-N 3.13Å; D383-K387 WeakPolarHBondContact OD2-CE 3.04Å; D383-K387 IonicContact OD2-NZ 3.38Å; D383-K387 PolarHBondContact OD2-NZ 2.91Å; S384-K387 PolarHBondContact O-N 3.34Å; K387-T389 PolarHBondContact O-N 3.12Å
388L40.6Very low34.6Very low52 Ų52110.9 Ų110.927%0.27262%0.619SS.*THydrogen-bonded Turntrans-65.5-14.3166.1-74.4167.7000112.1S384 L385 M390S384-L388 WeakPolarHBondContact O-CG 3.48Å; S384-L388 PolarHBondContact O-N 2.58Å; L385-L388 HydrophobicContact CD2-CD1 3.86Å; L388-M390 PolarHBondContact O-N 2.68Å
389T38.1Very low34.2Very low69 Ų69108.3 Ų108.342%0.42361%0.614SS.*SBendtrans-86.593.8162190000110S386 K387S386-T389 PolarHBondContact O-N 3.47Å; S386-T389 PolarHBondContact O-OG1 3.02Å; K387-T389 PolarHBondContact O-N 3.12Å
390M35.9Very low33.6Very low65 Ų65109.8 Ų109.832%0.3262%0.622SS.*  trans61.2115.4162.4-49.8-160.290.900118.8F72 L388 L392F72-M390 HydrophobicContact CE2-CE 3.61Å; F72-M390 HydrophobicContact CZ-CE 4.02Å; L388-M390 PolarHBondContact O-N 2.68Å; M390-L392 HydrophobicContact CE-CD1 3.49Å; M390-L392 VanDerWaalsContact CE-CD1 3.49Å
391K22.7Very low33.2Very low206 Ų206110.5 Ų110.590%0.89663%0.626SS**  trans-98107.5132-83.4-174.9176.9-179.60107.8
392L28.2Very low32.3Very low117 Ų117110.2 Ų110.261%0.61363%0.627SS**  trans-118.7128.5148.5-112.2105.2000105.8F72 M390 T394F72-L392 HydrophobicContact CD2-CD1 4.46Å; F72-L392 HydrophobicContact CE2-CD1 4.13Å; M390-L392 HydrophobicContact CE-CD1 3.49Å; M390-L392 VanDerWaalsContact CE-CD1 3.49Å; L392-T394 PolarHBondContact O-N 3.38Å
393D26.4Very low31.8Very low158 Ų158112.7 Ų112.785%0.84563%0.63SS**  trans-54.1112173.2-69-39.4000108.6P395D393-P395 VanDerWaalsContact O-CD 3.29Å; D393-P395 WeakPolarHBondContact O-CD 3.26Å
394T26.5Very low31.3Very low128 Ų128114.9 Ų114.979%0.78565%0.648SS**PPolyproline II helixtrans-66.4122.3176.542.70000109.4L392 T396L392-T394 PolarHBondContact O-N 3.38Å; T394-T396 PolarHBondContact O-N 3.23Å
395P27.3Very low30.7Very low120 Ų120120.8 Ų120.878%0.77968%0.677SS**PPolyproline II helixtrans-71125.9156.9-7.926000107.8D393D393-P395 VanDerWaalsContact O-CD 3.29Å; D393-P395 WeakPolarHBondContact O-CD 3.26Å
396T25.7Very low30.1Very low132 Ų132123.5 Ų123.581%0.8170%0.697SS**SBendtrans-52.8147.716744.60000111.2T394T394-T396 PolarHBondContact O-N 3.23Å
397D26.1Very low29.1Very low157 Ų157129.3 Ų129.384%0.8472%0.715SS**  trans81.293.6179.5-79.5-21.5000118.1
398C28Very low28.6Very low122 Ų122132.6 Ų132.682%0.82473%0.732SS**  trans-142.1103.6145.5-840000108.9
399S27.6Very low27.9Very low106 Ų106135.6 Ų135.674%0.74176%0.757SS**  trans-62.7143.6175.548.70000112.3D401S399-D401 PolarHBondContact O-N 3.04Å
400V27.8Very low27.5Very low127 Ų127141.2 Ų141.277%0.7778%0.776SS**  trans-81.3106.2-177-179.60000110
401D30.5Very low26.9Very low147 Ų147141.8 Ų141.879%0.78680%0.798SS**  trans-90.4121.5167.1-81.8-30.2000111.2S399S399-D401 PolarHBondContact O-N 3.04Å
402N24.6Very low27.3Very low157 Ų157140 Ų14084%0.8480%0.797SS**  trans-72.9119.4174.8-76.4-52.1000110.8
403I29.3Very low27.2Very low158 Ų158140.7 Ų140.781%0.8181%0.807SS**  trans-115.4133.9167.7-60.4-178.5000108.9
404P27.8Very low27.3Very low116 Ų116141.5 Ų141.575%0.75381%0.811SS**  trans-81.3149.6-158.230-34.7000115.5T406P404-T406 PolarHBondContact O-N 2.95Å
405N24.9Very low27.4Very low151 Ų151138.6 Ų138.681%0.80781%0.807SS**  trans-46.2112.1173.7-88.9-35.1000113.9
406T28.8Very low27.5Very low135 Ų135140.6 Ų140.683%0.82881%0.811SS**  trans-90.997.5159.738.40000109.8P404 H408P404-T406 PolarHBondContact O-N 2.95Å; T406-H408 PolarHBondContact O-N 3.13Å
407K24.3Very low28.3Very low182 Ų182139.7 Ų139.779%0.79181%0.81SS**  trans-71.3103.3167-75.8-177.2176.6179.40109.8
408H29Very low29.1Very low179 Ų179138.8 Ų138.883%0.82980%0.802SS**  trans-132.367.7157.6-80.4-49.4000110.6T406T406-H408 PolarHBondContact O-N 3.13Å
409S27.1Very low30.1Very low115 Ų115134.7 Ų134.780%0.80478%0.78SS**  trans-95.286.5159.759.10000108.5
410K28.7Very low31.5Very low188 Ų188132 Ų13282%0.81776%0.76SS**  trans-91.1107.5157.6-86.3-172.2176.1-178.60106.5L412K410-L412 PolarHBondContact O-N 3.26Å; K410-L412 VanDerWaalsContact O-N 3.16Å
411G24.2Very low33Very low76 Ų76134.5 Ų134.578%0.78476%0.761SS**  trans-55.4117.4171.200000109.4
412L31.5Very low34.6Very low170 Ų170130.5 Ų130.589%0.8974%0.739SS**  trans-85.1112.9169.2-88.7108.7000108.4K410K410-L412 PolarHBondContact O-N 3.26Å; K410-L412 VanDerWaalsContact O-N 3.16Å
413T26Very low36.6Very low131 Ų131123.1 Ų123.180%0.80470%0.7SS**  trans-62.8143.5174.148.70000111.7G415T413-G415 PolarHBondContact O-N 3.41Å; T413-G415 VanDerWaalsContact O-N 3.08Å
414N28.4Very low38.2Very low174 Ų174120.9 Ų120.993%0.9368%0.681SS**  trans-39107.8171.8-75-25.1000112.9
415G27.3Very low40.1Very low68 Ų68116.2 Ų116.270%0.70165%0.648SS**  trans-151.1112.8172.200000110.1T413T413-G415 PolarHBondContact O-N 3.41Å; T413-G415 VanDerWaalsContact O-N 3.08Å
416N30.4Very low41.7Very low161 Ų161113 Ų11386%0.86164%0.636SS**  trans19.8117169.8-75.6-10.3000118.8M418N416-M418 PolarHBondContact O-N 3.12Å
417S42.9Very low43Very low113 Ų113111.2 Ų111.279%0.7961%0.614SS**SBendtrans-5682.6177.962.10000114.1
418M42.2Very low44.4Very low139 Ų139104.3 Ų104.369%0.68559%0.588SS**  trans-143.788.6164.8-76.6-64.9-135.500109.3N416 R424N416-M418 PolarHBondContact O-N 3.12Å; M418-R424 VanDerWaalsContact CA-NH2 3.34Å; M418-R424 PolarHBondContact SD-NH1 3.1Å; M418-R424 PolarHBondContact SD-NH2 3.02Å
419G48Very low45.7Very low35 Ų35103.2 Ų103.236%0.36158%0.577SS.*  trans-55.3160.4172.200000112.7K421 R424G419-K421 PolarHBondContact O-N 3.47Å; G419-R424 PolarHBondContact O-NE 3.01Å; G419-R424 PolarHBondContact O-NH2 3.43Å
420P57.3Low47.2Very low49 Ų4998 Ų9832%0.31854%0.542SS..  trans-51.4123.8-169.212.8-27000113.3C107 G110 L422C107-P420 WeakPolarHBondContact O-CD 3.29Å; G110-P420 VanDerWaalsContact CA-CG 3.45Å; P420-L422 PolarHBondContact O-N 2.82Å
421K60.6Low49.3Very low180 Ų18090.3 Ų90.378%0.78351%0.51SS*.G310 helixtrans-57.6-23.6-175.8-69.3-176.1178.9-179.40113.9G419 F423 R424G419-K421 PolarHBondContact O-N 3.47Å; K421-F423 VanDerWaalsContact C-N 3.29Å; K421-F423 PolarHBondContact O-N 2.76Å; K421-R424 PolarHBondContact O-N 3.43Å
422L63.4Low51.5Low64 Ų6486.9 Ų86.934%0.33548%0.475SS..G310 helixtrans-61.9-31.6-170.6-173.664.4000114.2R236 P420R236-L422 VanDerWaalsContact NH1-CD1 3.33Å; P420-L422 PolarHBondContact O-N 2.82Å
423F66.5Low53.2Low2 Ų280.8 Ų80.81%0.00944%0.443CS..G310 helixtrans-99.6-4.1-174.2-68.4-82.5000113.8Y103 L106 E208 K421 R425Y103-F423 HydrophobicContact CE2-CB 4.45Å; Y103-F423 VanDerWaalsContact CE2-O 3.26Å; Y103-F423 WeakPolarHBondContact CE2-O 3.18Å; Y103-F423 VanDerWaalsContact CZ-O 3.32Å; Y103-F423 PolarHBondContact OH-O 2.99Å; L106-F423 HydrophobicContact CB-CD1 3.82Å; L106-F423 HydrophobicContact CB-CD2 4.41Å; L106-F423 HydrophobicContact CB-CE1 3.93Å; L106-F423 HydrophobicContact CB-CG 4.07Å; L106-F423 HydrophobicContact CB-CZ 4.3Å; L106-F423 HydrophobicContact CD1-CD1 4.17Å; L106-F423 HydrophobicContact CD1-CE1 3.89Å; L106-F423 HydrophobicContact CD2-CE1 4.19Å; L106-F423 HydrophobicContact CD2-CZ 4.19Å; L106-F423 HydrophobicContact CG-CE1 4.22Å; L106-F423 VanDerWaalsContact O-CD2 3.29Å; L106-F423 WeakPolarHBondContact O-CD2 3.29Å; E208-F423 HydrophobicContact CG-CD1 4.39Å; E208-F423 HydrophobicContact CG-CE1 4Å; E208-F423 VanDerWaalsContact O-CE1 3.23Å; E208-F423 WeakPolarHBondContact O-CE1 3.46Å; E208-F423 WeakPolarHBondContact O-CZ 3.35Å; K421-F423 VanDerWaalsContact C-N 3.29Å; K421-F423 PolarHBondContact O-N 2.76Å; F423-R425 PolarHBondContact O-N 2.9Å
424R62.7Low54.7Low110 Ų11076.5 Ų76.542%0.41542%0.424SS..  trans-7199.5-175.9-64.4-171.6-171.6-166.21.5110M418 G419 K421M418-R424 VanDerWaalsContact CA-NH2 3.34Å; M418-R424 PolarHBondContact SD-NH1 3.1Å; M418-R424 PolarHBondContact SD-NH2 3.02Å; G419-R424 PolarHBondContact O-NE 3.01Å; G419-R424 PolarHBondContact O-NH2 3.43Å; K421-R424 PolarHBondContact O-N 3.43Å
425R68.9Low56.2Low18 Ų1874 Ų747%0.06841%0.411CS..  trans-124.9149.7168.862.8169.8178.9-127.9-12.2109.9Y103 E144 E208 E217 F423Y103-R425 HydrophobicContact CE2-CG 4.05Å; Y103-R425 PolarHBondContact OH-N 3.18Å; Y103-R425 VanDerWaalsContact OH-N 3.08Å; Y103-R425 PolarHBondContact OH-O 2.89Å; E144-R425 IonicContact OE1-CZ 3.91Å; E144-R425 IonicContact OE1-NE 2.7Å; E144-R425 PolarHBondContact OE1-NE 2.82Å; E144-R425 VanDerWaalsContact OE1-NE 3.1Å; E144-R425 IonicContact OE1-NH2 2.79Å; E144-R425 PolarHBondContact OE1-NH2 2.69Å; E144-R425 IonicContact OE2-NH2 3.78Å; E144-R425 PolarHBondContact OE2-NH2 3.01Å; E208-R425 VanDerWaalsContact CD-NH1 3.33Å; E208-R425 IonicContact OE1-CZ 3.93Å; E208-R425 IonicContact OE1-NH1 2.93Å; E208-R425 PolarHBondContact OE1-NH1 3.03Å; E208-R425 IonicContact OE1-NH2 3.46Å; E208-R425 PolarHBondContact OE1-NH2 3.24Å; E208-R425 IonicContact OE2-CZ 3.17Å; E208-R425 IonicContact OE2-NH1 3.8Å; E208-R425 PolarHBondContact OE2-NH1 3.17Å; E208-R425 IonicContact OE2-NH2 3.18Å; E217-R425 WeakPolarHBondContact OE1-CB 3.1Å; F423-R425 PolarHBondContact O-N 2.9Å
426P58.3Low57.6Low85 Ų8574.3 Ų74.355%0.55240%0.396SS*.  trans-57140160.6-12.928000108.3E217 S428E217-P426 WeakPolarHBondContact OE2-CD 3.03Å; P426-S428 VanDerWaalsContact C-N 3.34Å; P426-S428 PolarHBondContact O-N 2.95Å
427R54.8Low59.1Low96 Ų9669.7 Ų69.736%0.36237%0.372SS..  trans-61.7102164.7-74.2-169.7173.61361.9107.1D101 D104 E144D101-R427 IonicContact OD2-CZ 3.75Å; D101-R427 IonicContact OD2-NH2 2.79Å; D101-R427 PolarHBondContact OD2-NH2 3.22Å; D104-R427 IonicContact OD1-NH2 2.73Å; E144-R427 HydrophobicContact CG-CG 4.21Å
428S54Low60Low37 Ų3767.3 Ų67.326%0.25935%0.349SS..PPolyproline II helixtrans-74.3140.2173.653.60000108.8P426P426-S428 VanDerWaalsContact C-N 3.34Å; P426-S428 PolarHBondContact O-N 2.95Å
429R57.6Low61Low156 Ų15663.1 Ų63.159%0.58933%0.329SS*.PPolyproline II helixtrans-67.1137.5175-69.8176.4177172.9-1108
430G58.6Low61.8Low6 Ų664.9 Ų64.96%0.06233%0.327CS..PPolyproline II helixtrans-64.7136.8159.600000108.4R161 G178R161-G430 PolarHBondContact NH2-O 2.7Å; G178-G430 CarbonylContact O-C 3.59Å; G178-G430 VanDerWaalsContact O-CA 3.32Å; G178-G430 WeakPolarHBondContact O-CA 3.33Å
431T70.9Confident62.1Low26 Ų2665.9 Ų65.916%0.1633%0.328CS..EExtended strand (participates in β ladder)trans-129.2145-175.146.40000109.3G178 F225G178-T431 PolarHBondContact N-O 2.93Å; G178-T431 PolarHBondContact O-N 2.96Å; F225-T431 WeakPolarHBondContact CE2-OG1 3.34Å; F225-T431 VanDerWaalsContact CZ-OG1 3.27Å; F225-T431 WeakPolarHBondContact CZ-OG1 3.23Å
432S71.7Confident62.2Low5 Ų557.8 Ų57.84%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-73.3160.6167.8-179.70000111.1L173 D174 F176 G434 D435L173-S432 PolarHBondContact O-OG 3.39Å; D174-S432 VanDerWaalsContact CA-OG 3.27Å; D174-S432 WeakPolarHBondContact CA-OG 3.4Å; F176-S432 CarbonylContact O-C 3.51Å; F176-S432 WeakPolarHBondContact O-CA 3.25Å; S432-G434 PolarHBondContact OG-N 3.36Å; S432-D435 VanDerWaalsContact CB-OD2 3.23Å; S432-D435 WeakPolarHBondContact CB-OD2 3.5Å; S432-D435 PolarHBondContact N-OD2 3.12Å
433I66.9Low62.2Low42 Ų4257.3 Ų57.322%0.21529%0.292CS..SBendtrans-67.2-26.6162.5-67.9-179.8000111.1L173 F176 V187 A188 F225L173-I433 HydrophobicContact CD2-CG2 4.19Å; F176-I433 HydrophobicContact CB-CB 4.35Å; F176-I433 HydrophobicContact CB-CD1 3.67Å; F176-I433 HydrophobicContact CB-CG1 4.03Å; F176-I433 HydrophobicContact CG-CD1 4.36Å; F176-I433 PolarHBondContact O-N 3.45Å; V187-I433 VanDerWaalsContact O-CD1 3.25Å; V187-I433 WeakPolarHBondContact O-CD1 3.21Å; A188-I433 VanDerWaalsContact O-CD1 3.31Å; A188-I433 WeakPolarHBondContact O-CD1 3.37Å; F225-I433 HydrophobicContact CE1-CG1 4.03Å
434G58.2Low61.8Low41 Ų4161.9 Ų61.942%0.42332%0.316SS..  trans-81.9-16.2178.200000115.6S432S432-G434 PolarHBondContact OG-N 3.36Å
435D58.9Low61.7Low121 Ų12157.5 Ų57.565%0.64731%0.306SS*.  trans-80.90172.6-62.8-46.1000110.4S52 S432S52-D435 PolarHBondContact OG-OD1 2.83Å; S52-D435 VanDerWaalsContact OG-OD1 3.12Å; S432-D435 VanDerWaalsContact CB-OD2 3.23Å; S432-D435 WeakPolarHBondContact CB-OD2 3.5Å; S432-D435 PolarHBondContact N-OD2 3.12Å

Retrieved 435 of 435 residues in 881.3 ms (Link to these results)

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