A0A077ZJV0_TRITR Loading...

Ubiquitin activating enzyme E1

AlphaFold DB , UniProt , Accession A0A077ZJV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 506 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
1M47.2Very low65.7Low215 Ų21591.7 Ų91.7100%1.05952%0.522SS*.  0-50.20-72.6-174.4-133.900111.4A3 N4 S5M1-A3 PolarHBondContact O-N 3.47Å; M1-N4 PolarHBondContact O-N 3.49Å; M1-N4 VanDerWaalsContact O-N 3.15Å; M1-S5 PolarHBondContact O-N 3.26Å
2A43.2Very low67.5Low55 Ų5592.3 Ų92.346%0.45552%0.517SS..Hα-helixtrans-57.3-39.9-179.900000115.4N4 S5 Q6A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 2.9Å; A2-S5 PolarHBondContact O-N 3.15Å; A2-S5 PolarHBondContact O-OG 3.15Å; A2-Q6 WeakPolarHBondContact O-CG 3.25Å; A2-Q6 PolarHBondContact O-N 3.39Å
3A49.2Very low69.1Low67 Ų6790.5 Ų90.555%0.55450%0.502SS*.Hα-helixtrans-64.4-33.3177.700000113.2M1 C7M1-A3 PolarHBondContact O-N 3.47Å; A3-C7 PolarHBondContact O-N 3.49Å; A3-C7 PolarHBondContact O-SG 2.75Å; A3-C7 VanDerWaalsContact O-SG 3.35Å
4N58.2Low70.8Confident113 Ų11384.5 Ų84.560%0.60447%0.469SS*.Hα-helixtrans-73.5-39.1176.9-77.38000111.3M1 A2 C7 E8M1-N4 PolarHBondContact O-N 3.49Å; M1-N4 VanDerWaalsContact O-N 3.15Å; A2-N4 VanDerWaalsContact C-N 3.3Å; A2-N4 PolarHBondContact O-N 2.9Å; N4-C7 PolarHBondContact O-N 2.78Å; N4-E8 WeakPolarHBondContact O-CG 2.87Å; N4-E8 PolarHBondContact O-N 3.29Å
5S60.8Low72.2Confident36 Ų3679.7 Ų79.725%0.25245%0.445SS..Hα-helixtrans-65.5-40.4177.963.20000111.9M1 A2 C7 E8 E9M1-S5 PolarHBondContact O-N 3.26Å; A2-S5 PolarHBondContact O-N 3.15Å; A2-S5 PolarHBondContact O-OG 3.15Å; S5-C7 VanDerWaalsContact C-N 3.35Å; S5-C7 PolarHBondContact O-N 3.43Å; S5-E8 PolarHBondContact O-N 3.45Å; S5-E9 WeakPolarHBondContact O-CB 3.44Å; S5-E9 WeakPolarHBondContact O-CG 3.3Å; S5-E9 PolarHBondContact O-N 2.65Å
6Q61.6Low73.4Confident70 Ų7077.8 Ų77.833%0.32744%0.438SS..Hα-helixtrans-63.4-39.3175.9-71.2177.61.700112.4A2 L10A2-Q6 WeakPolarHBondContact O-CG 3.25Å; A2-Q6 PolarHBondContact O-N 3.39Å; Q6-L10 WeakPolarHBondContact O-CB 3.33Å; Q6-L10 PolarHBondContact O-N 3.08Å
7C72.4Confident74.6Confident86 Ų8673.4 Ų73.458%0.58141%0.414SS*.Hα-helixtrans-67.1-38175.1-74.90000112.4A3 N4 S5 S11A3-C7 PolarHBondContact O-N 3.49Å; A3-C7 PolarHBondContact O-SG 2.75Å; A3-C7 VanDerWaalsContact O-SG 3.35Å; N4-C7 PolarHBondContact O-N 2.78Å; S5-C7 VanDerWaalsContact C-N 3.35Å; S5-C7 PolarHBondContact O-N 3.43Å; C7-S11 WeakPolarHBondContact O-CB 3.44Å; C7-S11 PolarHBondContact O-N 3.07Å
8E77.6Confident75.9Confident137 Ų13774.7 Ų74.764%0.6441%0.414SS*.Hα-helixtrans-66.3-45.1176-74.4171.3-17100111.5N4 S5 S11 E12N4-E8 WeakPolarHBondContact O-CG 2.87Å; N4-E8 PolarHBondContact O-N 3.29Å; S5-E8 PolarHBondContact O-N 3.45Å; E8-S11 PolarHBondContact O-N 3.02Å; E8-E12 PolarHBondContact O-N 2.72Å
9E79.5Confident77Confident120 Ų12070.7 Ų70.756%0.56139%0.392SS*.Hα-helixtrans-59.1-48.4175.3-74.9168.5-168.700111.5S5 S11 E12 E13S5-E9 WeakPolarHBondContact O-CB 3.44Å; S5-E9 WeakPolarHBondContact O-CG 3.3Å; S5-E9 PolarHBondContact O-N 2.65Å; E9-S11 VanDerWaalsContact C-N 3.34Å; E9-S11 PolarHBondContact O-N 2.85Å; E9-E12 PolarHBondContact O-N 3.05Å; E9-E13 PolarHBondContact O-N 2.92Å
10L85.7Confident78.1Confident34 Ų3467.2 Ų67.218%0.17837%0.373CS..Hα-helixtrans-62.9-40.5177.1179.462.2000112.1Q6 E12 E13 V14 I385 L388 K389Q6-L10 WeakPolarHBondContact O-CB 3.33Å; Q6-L10 PolarHBondContact O-N 3.08Å; L10-E12 VanDerWaalsContact C-N 3.28Å; L10-E12 PolarHBondContact O-N 3.1Å; L10-E13 PolarHBondContact O-N 3.45Å; L10-V14 HydrophobicContact CD1-CG2 4.19Å; L10-V14 HydrophobicContact CG-CG2 4.38Å; L10-V14 WeakPolarHBondContact O-CB 3.32Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.47Å; L10-V14 PolarHBondContact O-N 3Å; L10-I385 HydrophobicContact CD1-CG2 4.37Å; L10-I385 HydrophobicContact CD2-CG2 4.01Å; L10-L388 HydrophobicContact CD1-CB 4.28Å; L10-K389 HydrophobicContact CD1-CB 4.4Å; L10-K389 HydrophobicContact CD1-CG 3.58Å; L10-K389 HydrophobicContact CD2-CD 4.16Å; L10-K389 HydrophobicContact CD2-CG 3.66Å; L10-K389 HydrophobicContact CG-CG 4.23Å
11S87.5Confident79.1Confident76 Ų7664 Ų6453%0.53136%0.355SS..Hα-helixtrans-62.3-38.8177.4-176.30000111.5C7 E8 E9 A15C7-S11 WeakPolarHBondContact O-CB 3.44Å; C7-S11 PolarHBondContact O-N 3.07Å; E8-S11 PolarHBondContact O-N 3.02Å; E9-S11 VanDerWaalsContact C-N 3.34Å; E9-S11 PolarHBondContact O-N 2.85Å; S11-A15 VanDerWaalsContact O-CB 3.28Å; S11-A15 WeakPolarHBondContact O-CB 3.11Å; S11-A15 PolarHBondContact O-N 3.38Å
12E87.1Confident81.5Confident99 Ų9953.9 Ų53.946%0.46331%0.305SS..Hα-helixtrans-72.1-38.5177.5-168.963.2-169.400111.9E8 E9 L10 A15 S16 R89E8-E12 PolarHBondContact O-N 2.72Å; E9-E12 PolarHBondContact O-N 3.05Å; L10-E12 VanDerWaalsContact C-N 3.28Å; L10-E12 PolarHBondContact O-N 3.1Å; E12-A15 PolarHBondContact O-N 2.77Å; E12-S16 VanDerWaalsContact O-CB 3.27Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 2.86Å; E12-S16 PolarHBondContact O-OG 2.95Å; E12-R89 IonicContact OE1-CZ 2.88Å; E12-R89 VanDerWaalsContact OE1-CZ 3.25Å; E12-R89 IonicContact OE1-NE 2.73Å; E12-R89 PolarHBondContact OE1-NE 2.88Å; E12-R89 IonicContact OE1-NH2 3.49Å; E12-R89 PolarHBondContact OE1-NH2 3.37Å; E12-R89 IonicContact OE2-NE 2.85Å
13E88.9Confident84.1Confident68 Ų6851.4 Ų51.432%0.31829%0.285SS..Hα-helixtrans-61.7-46.8173-175.864.9-167.700111E9 L10 A15 S16 S17 R114 L388E9-E13 PolarHBondContact O-N 2.92Å; L10-E13 PolarHBondContact O-N 3.45Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 3.21Å; E13-S16 WeakPolarHBondContact CA-OG 3.49Å; E13-S16 PolarHBondContact O-N 2.83Å; E13-S16 PolarHBondContact O-OG 2.78Å; E13-S16 VanDerWaalsContact O-OG 3.14Å; E13-S17 VanDerWaalsContact O-CB 3.26Å; E13-S17 WeakPolarHBondContact O-CB 3.17Å; E13-S17 PolarHBondContact O-N 2.82Å; E13-S17 PolarHBondContact O-OG 2.75Å; E13-R114 IonicContact OE1-NE 3.61Å; E13-R114 PolarHBondContact OE1-NE 3.43Å; E13-L388 HydrophobicContact CG-CB 4.07Å; E13-L388 HydrophobicContact CG-CD2 4.34Å
14V92.5Very high86.4Confident7 Ų748.2 Ų48.24%0.04226%0.259CS..Hα-helixtrans-60-43.6175.3167.20000111.1L10 S16 F40 L388L10-V14 HydrophobicContact CD1-CG2 4.19Å; L10-V14 HydrophobicContact CG-CG2 4.38Å; L10-V14 WeakPolarHBondContact O-CB 3.32Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.47Å; L10-V14 PolarHBondContact O-N 3Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.09Å; V14-F40 HydrophobicContact CG1-CD1 4.11Å; V14-F40 HydrophobicContact CG1-CD2 3.9Å; V14-F40 HydrophobicContact CG1-CE1 4.08Å; V14-F40 HydrophobicContact CG1-CE2 3.89Å; V14-F40 HydrophobicContact CG1-CG 4.04Å; V14-F40 HydrophobicContact CG1-CZ 4Å; V14-F40 HydrophobicContact CG2-CZ 4.33Å; V14-F40 VanDerWaalsContact O-CD1 3.28Å; V14-F40 WeakPolarHBondContact O-CD1 3.47Å; V14-L388 HydrophobicContact CG2-CD1 3.98Å
15A91.8Very high88Confident13 Ų1343.4 Ų43.411%0.10724%0.236CC..Hα-helixtrans-75.2-17.5-178.500000114S11 E12 E13 R41 R89S11-A15 VanDerWaalsContact O-CB 3.28Å; S11-A15 WeakPolarHBondContact O-CB 3.11Å; S11-A15 PolarHBondContact O-N 3.38Å; E12-A15 PolarHBondContact O-N 2.77Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 3.21Å; A15-R41 HydrophobicContact CB-CG 4.14Å; A15-R89 PolarHBondContact O-NH1 3.03Å
16S91.6Very high89.5Confident48 Ų4842.2 Ų42.234%0.33623%0.229SC..Hα-helixtrans-100.4-21.417862.70000114.3E12 E13 V14 K18 R89E12-S16 VanDerWaalsContact O-CB 3.27Å; E12-S16 WeakPolarHBondContact O-CB 3.25Å; E12-S16 PolarHBondContact O-N 2.86Å; E12-S16 PolarHBondContact O-OG 2.95Å; E13-S16 WeakPolarHBondContact CA-OG 3.49Å; E13-S16 PolarHBondContact O-N 2.83Å; E13-S16 PolarHBondContact O-OG 2.78Å; E13-S16 VanDerWaalsContact O-OG 3.14Å; V14-S16 VanDerWaalsContact C-N 3.31Å; V14-S16 PolarHBondContact O-N 3.09Å; S16-K18 PolarHBondContact O-N 2.64Å; S16-R89 VanDerWaalsContact CB-NH1 3.32Å
17S93.9Very high91.1Very high4 Ų439.3 Ų39.33%0.02822%0.216CC..  trans-64.4130.6178.8-720000112.5E13 L388E13-S17 VanDerWaalsContact O-CB 3.26Å; E13-S17 WeakPolarHBondContact O-CB 3.17Å; E13-S17 PolarHBondContact O-N 2.82Å; E13-S17 PolarHBondContact O-OG 2.75Å; S17-L388 WeakPolarHBondContact OG-CD2 3.28Å
18K96.8Very high92.3Very high96 Ų9635.2 Ų35.242%0.41719%0.188SC..EExtended strand (participates in β ladder)trans-89.5121.9170.7-55.8-163.2178.7-147.10110.3S16 D42 F113 R114S16-K18 PolarHBondContact O-N 2.64Å; K18-D42 WeakPolarHBondContact CA-O 3.37Å; K18-D42 WeakPolarHBondContact CD-OD2 3.3Å; K18-D42 WeakPolarHBondContact CE-OD2 3.26Å; K18-D42 HydrophobicContact CG-CB 4.09Å; K18-D42 WeakPolarHBondContact CG-OD2 3.27Å; K18-D42 IonicContact NZ-OD2 3.48Å; K18-D42 PolarHBondContact NZ-OD2 2.93Å; K18-F113 HydrophobicContact CB-CD1 3.96Å; K18-F113 WeakPolarHBondContact O-CA 3.42Å; K18-R114 PolarHBondContact O-N 3.04Å
19I98Very high93.2Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-112.3136.3-176.9-49.1-60.2000110.2V21 L35 F40 D42 I43 S44 L115 V117I19-V21 HydrophobicContact CG2-CG2 4.4Å; I19-L35 HydrophobicContact CB-CD1 4.5Å; I19-L35 HydrophobicContact CG2-CD1 3.85Å; I19-F40 HydrophobicContact CD1-CD1 3.8Å; I19-F40 HydrophobicContact CD1-CE1 3.5Å; I19-F40 VanDerWaalsContact CD1-CE1 3.5Å; I19-F40 HydrophobicContact CD1-CZ 4.35Å; I19-F40 HydrophobicContact CG1-CD1 3.34Å; I19-F40 HydrophobicContact CG1-CE1 3.61Å; I19-F40 HydrophobicContact CG1-CG 4.1Å; I19-D42 PolarHBondContact N-O 2.89Å; I19-I43 CarbonylContact O-C 3.57Å; I19-I43 WeakPolarHBondContact O-CA 3.32Å; I19-S44 PolarHBondContact O-N 2.75Å; I19-L115 HydrophobicContact CD1-CB 3.74Å; I19-L115 HydrophobicContact CD1-CD2 4.2Å; I19-L115 HydrophobicContact CD1-CG 4.5Å; I19-V117 HydrophobicContact CG2-CG2 4.09Å
20F98.6Very high94.1Very high0 Ų024 Ų240%014%0.136CC..EExtended strand (participates in β ladder)trans-112.2116.4173.3-173.4-141000111.3V22 S44 I46 I100 F109 I110 F113 L115 V116 V117F20-V22 HydrophobicContact CD1-CG2 3.78Å; F20-V22 HydrophobicContact CE1-CG2 3.65Å; F20-V22 HydrophobicContact CG-CG2 4.41Å; F20-V22 HydrophobicContact CZ-CG2 4.18Å; F20-S44 CarbonylContact C-O 3.55Å; F20-S44 WeakPolarHBondContact CA-O 3.34Å; F20-S44 WeakPolarHBondContact CD2-O 3.43Å; F20-I46 HydrophobicContact CE1-CG2 4.31Å; F20-I46 HydrophobicContact CE2-CB 3.93Å; F20-I46 HydrophobicContact CE2-CG2 3.62Å; F20-I46 HydrophobicContact CZ-CB 3.97Å; F20-I46 HydrophobicContact CZ-CG2 3.38Å; F20-I100 HydrophobicContact CE1-CD1 3.62Å; F20-I100 HydrophobicContact CZ-CD1 3.82Å; F20-F109 HydrophobicContact CD1-CE1 4.27Å; F20-F109 HydrophobicContact CD2-CE1 4.31Å; F20-F109 HydrophobicContact CE1-CD1 4.38Å; F20-F109 AromaticContact CE1-CE1 3.82Å; F20-F109 HydrophobicContact CE1-CE1 3.82Å; F20-F109 AromaticContact CE2-CE1 3.89Å; F20-F109 HydrophobicContact CE2-CE1 3.89Å; F20-F109 HydrophobicContact CE2-CZ 4.32Å; F20-F109 HydrophobicContact CG-CE1 4.49Å; F20-F109 HydrophobicContact CZ-CD1 4.49Å; F20-F109 AromaticContact CZ-CE1 3.61Å; F20-F109 HydrophobicContact CZ-CE1 3.61Å; F20-F109 HydrophobicContact CZ-CZ 4.38Å; F20-I110 HydrophobicContact CD1-CD1 3.71Å; F20-I110 HydrophobicContact CE1-CD1 3.7Å; F20-F113 HydrophobicContact CB-CB 4.22Å; F20-F113 HydrophobicContact CB-CD1 3.62Å; F20-F113 HydrophobicContact CB-CD2 3.83Å; F20-F113 HydrophobicContact CB-CE1 3.84Å; F20-F113 HydrophobicContact CB-CE2 4.05Å; F20-F113 HydrophobicContact CB-CG 3.6Å; F20-F113 HydrophobicContact CB-CZ 4.04Å; F20-F113 HydrophobicContact CD1-CD2 4.48Å; F20-F113 HydrophobicContact CD1-CE2 4.42Å; F20-F113 HydrophobicContact CD2-CE1 4.47Å; F20-F113 HydrophobicContact CD2-CE2 4.45Å; F20-F113 HydrophobicContact CD2-CZ 4.15Å; F20-F113 HydrophobicContact CG-CD2 4.25Å; F20-F113 HydrophobicContact CG-CE1 4.39Å; F20-F113 HydrophobicContact CG-CE2 4.09Å; F20-F113 HydrophobicContact CG-CG 4.48Å; F20-F113 HydrophobicContact CG-CZ 4.14Å; F20-L115 PolarHBondContact N-O 3.19Å; F20-V116 HydrophobicContact CB-CG2 4.26Å; F20-V116 HydrophobicContact CD1-CG1 4.31Å; F20-V116 HydrophobicContact CD1-CG2 4.35Å; F20-V116 CarbonylContact O-C 3.57Å; F20-V116 WeakPolarHBondContact O-CA 3.47Å; F20-V117 PolarHBondContact O-N 2.81Å
21V98.7Very high94.7Very high0 Ų022.5 Ų22.50%013%0.128CC..EExtended strand (participates in β ladder)trans-99.5118.6177.7-1780000109.1I19 I31 L32 L35 I43 S44 V45 I46 V117I19-V21 HydrophobicContact CG2-CG2 4.4Å; V21-I31 HydrophobicContact CG1-CG2 4.26Å; V21-I31 HydrophobicContact CG2-CG2 3.97Å; V21-L32 HydrophobicContact CG2-CD2 4.31Å; V21-L35 HydrophobicContact CG2-CD1 3.8Å; V21-I43 HydrophobicContact CG2-CG2 3.95Å; V21-S44 PolarHBondContact N-O 3.27Å; V21-V45 HydrophobicContact CB-CB 4.44Å; V21-V45 HydrophobicContact CB-CG2 4.34Å; V21-V45 HydrophobicContact CG1-CG2 4.42Å; V21-V45 WeakPolarHBondContact O-CA 3.35Å; V21-I46 PolarHBondContact O-N 2.8Å; V21-V117 WeakPolarHBondContact CA-O 3.45Å
22V98.4Very high95.1Very high2 Ų218.9 Ų18.91%0.01210%0.102CC..EExtended strand (participates in β ladder)trans-102.3105.6-179.1-167.30000109.6F20 I46 I100 V116 V117 A119 L120 V129F20-V22 HydrophobicContact CD1-CG2 3.78Å; F20-V22 HydrophobicContact CE1-CG2 3.65Å; F20-V22 HydrophobicContact CG-CG2 4.41Å; F20-V22 HydrophobicContact CZ-CG2 4.18Å; V22-I46 HydrophobicContact CB-CG2 4.13Å; V22-I46 HydrophobicContact CG1-CG2 3.75Å; V22-I46 HydrophobicContact CG2-CG2 4.24Å; V22-I100 HydrophobicContact CG1-CB 3.91Å; V22-I100 HydrophobicContact CG1-CG1 3.88Å; V22-I100 HydrophobicContact CG1-CG2 4.07Å; V22-V116 HydrophobicContact CG2-CG1 3.93Å; V22-V117 PolarHBondContact N-O 3.09Å; V22-A119 CarbonylContact O-C 3.17Å; V22-A119 WeakPolarHBondContact O-CA 3.45Å; V22-A119 PolarHBondContact O-N 3.21Å; V22-L120 HydrophobicContact CB-CG 4.47Å; V22-L120 HydrophobicContact CG1-CD1 3.82Å; V22-L120 HydrophobicContact CG1-CD2 3.89Å; V22-L120 HydrophobicContact CG1-CG 3.92Å; V22-V129 HydrophobicContact CG1-CG2 4.05Å; V22-V129 HydrophobicContact CG2-CG1 4.39Å; V22-V129 HydrophobicContact CG2-CG2 4.37Å
23G97.1Very high95.6Very high4 Ų417 Ų174%0.0419%0.093CC..  trans104.3125.9-173.300000112.1G28 I46G23-G28 VanDerWaalsContact O-CA 3.31Å; G23-G28 WeakPolarHBondContact O-CA 3.34Å; G23-I46 VanDerWaalsContact CA-O 3.31Å; G23-I46 WeakPolarHBondContact CA-O 3.46Å; G23-I46 PolarHBondContact N-O 3.21Å
24A96.7Very high96Very high0 Ų015.1 Ų15.10%09%0.085CC..  trans-11024.5176.900000112.1C29 V45 D47 F62 K71 A75A24-C29 PolarHBondContact O-SG 3.22Å; A24-C29 VanDerWaalsContact O-SG 3.37Å; A24-V45 HydrophobicContact CB-CG2 3.99Å; A24-D47 WeakPolarHBondContact CA-OD2 3.45Å; A24-D47 HydrophobicContact CB-CB 3.69Å; A24-D47 PolarHBondContact N-OD2 2.89Å; A24-F62 WeakPolarHBondContact O-CZ 3.27Å; A24-K71 HydrophobicContact CB-CB 4.13Å; A24-A75 HydrophobicContact CB-CB 4.18Å
25G93.1Very high96.2Very high12 Ų1214.8 Ų14.812%0.1248%0.083CC..SBendtrans-75.1-147.1175.100000113.7G28 C29G25-G28 PolarHBondContact O-N 2.86Å; G25-C29 WeakPolarHBondContact O-CB 3.45Å; G25-C29 PolarHBondContact O-N 2.84Å; G25-C29 PolarHBondContact O-SG 3.26Å
26G92.2Very high96.3Very high10 Ų1014.4 Ų14.410%0.1038%0.079CC..Hα-helixtrans-59.9-52.7-175.300000113.6N373G26-N373 WeakPolarHBondContact CA-ND2 3.47Å
27I95.7Very high96.4Very high10 Ų1017 Ų175%0.0519%0.088CC..Hα-helixtrans-69.6-42.7177-56.3174.1000110.2C29 E30 I31 A119 C143 T145 N373 I376I27-C29 PolarHBondContact O-N 2.83Å; I27-E30 PolarHBondContact O-N 2.97Å; I27-E30 VanDerWaalsContact O-N 3.12Å; I27-I31 HydrophobicContact CG2-CD1 3.47Å; I27-I31 VanDerWaalsContact CG2-CD1 3.47Å; I27-I31 HydrophobicContact CG2-CG1 3.96Å; I27-I31 WeakPolarHBondContact O-CG1 3.49Å; I27-I31 PolarHBondContact O-N 2.92Å; I27-A119 HydrophobicContact CB-CB 4.05Å; I27-A119 HydrophobicContact CG2-CB 4.1Å; I27-C143 HydrophobicContact CD1-CB 4.17Å; I27-C143 HydrophobicContact CG2-CB 4.03Å; I27-T145 HydrophobicContact CD1-CG2 3.81Å; I27-T145 HydrophobicContact CG1-CG2 4.14Å; I27-N373 HydrophobicContact CG1-CB 4.17Å; I27-I376 HydrophobicContact CD1-CG2 4.2Å; I27-I376 HydrophobicContact CG2-CG2 4.32Å
28G97.1Very high96.4Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-57.4-43.6-178.500000113.6G23 G25 E30 I31 L32G23-G28 VanDerWaalsContact O-CA 3.31Å; G23-G28 WeakPolarHBondContact O-CA 3.34Å; G25-G28 PolarHBondContact O-N 2.86Å; G28-E30 PolarHBondContact O-N 2.84Å; G28-I31 PolarHBondContact O-N 3.35Å; G28-L32 WeakPolarHBondContact O-CG 3.46Å; G28-L32 PolarHBondContact O-N 2.65Å
29C97.3Very high96.2Very high0 Ų014.6 Ų14.60%09%0.087CC..Hα-helixtrans-60.2-42.5175.3-74.10000112.8A24 G25 I27 K33 F60 L61A24-C29 PolarHBondContact O-SG 3.22Å; A24-C29 VanDerWaalsContact O-SG 3.37Å; G25-C29 WeakPolarHBondContact O-CB 3.45Å; G25-C29 PolarHBondContact O-N 2.84Å; G25-C29 PolarHBondContact O-SG 3.26Å; I27-C29 PolarHBondContact O-N 2.83Å; C29-K33 PolarHBondContact O-N 3.13Å; C29-F60 HydrophobicContact CB-CD1 4.27Å; C29-F60 HydrophobicContact CB-CE1 4.06Å; C29-F60 WeakPolarHBondContact O-CE1 3.43Å; C29-L61 HydrophobicContact CB-CD1 3.95Å; C29-L61 HydrophobicContact CB-CG 4.02Å
30E97.9Very high96Very high22 Ų2214.6 Ų14.610%0.1039%0.087CC..Hα-helixtrans-68.6-44.1178-71.4-74.9176.300111.5I27 G28 L32 K33 D34 F60 A374 A377I27-E30 PolarHBondContact O-N 2.97Å; I27-E30 VanDerWaalsContact O-N 3.12Å; G28-E30 PolarHBondContact O-N 2.84Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.98Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.17Å; E30-K33 WeakPolarHBondContact OE2-CE 3.48Å; E30-K33 IonicContact OE2-NZ 3.7Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; E30-D34 VanDerWaalsContact O-CG 3.28Å; E30-D34 PolarHBondContact O-N 2.77Å; E30-F60 HydrophobicContact CG-CD1 4.43Å; E30-F60 HydrophobicContact CG-CE1 4.14Å; E30-A374 HydrophobicContact CG-CB 4.22Å; E30-A377 HydrophobicContact CB-CB 3.31Å; E30-A377 HydrophobicContact CG-CB 4.49Å
31I97.3Very high95.8Very high1 Ų115.7 Ų15.71%0.0059%0.091CC..Hα-helixtrans-59.6-43.9176.9-72.8176.5000111.1V21 I27 G28 K33 D34 L35 V117 A119 A377 A380V21-I31 HydrophobicContact CG1-CG2 4.26Å; V21-I31 HydrophobicContact CG2-CG2 3.97Å; I27-I31 HydrophobicContact CG2-CD1 3.47Å; I27-I31 VanDerWaalsContact CG2-CD1 3.47Å; I27-I31 HydrophobicContact CG2-CG1 3.96Å; I27-I31 WeakPolarHBondContact O-CG1 3.49Å; I27-I31 PolarHBondContact O-N 2.92Å; G28-I31 PolarHBondContact O-N 3.35Å; I31-K33 VanDerWaalsContact C-N 3.32Å; I31-K33 PolarHBondContact O-N 2.82Å; I31-D34 PolarHBondContact O-N 2.96Å; I31-L35 HydrophobicContact CG2-CD1 3.58Å; I31-L35 HydrophobicContact CG2-CG 3.96Å; I31-L35 WeakPolarHBondContact O-CB 3.41Å; I31-L35 VanDerWaalsContact O-CG 3.26Å; I31-L35 WeakPolarHBondContact O-CG 3.31Å; I31-L35 PolarHBondContact O-N 2.88Å; I31-V117 HydrophobicContact CD1-CG1 3.61Å; I31-V117 HydrophobicContact CG2-CG1 4.35Å; I31-A119 HydrophobicContact CD1-CB 4.41Å; I31-A377 HydrophobicContact CG1-CB 3.63Å; I31-A380 HydrophobicContact CD1-CB 4.27Å
32L97.5Very high95.6Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-57.9-45.2177.1-76.7177.2000112V21 G28 E30 L36 I43 V45 L61 A75 A79 V93V21-L32 HydrophobicContact CG2-CD2 4.31Å; G28-L32 WeakPolarHBondContact O-CG 3.46Å; G28-L32 PolarHBondContact O-N 2.65Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.98Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CD1 3.48Å; L32-L36 WeakPolarHBondContact O-CG 3.28Å; L32-L36 PolarHBondContact O-N 2.87Å; L32-I43 HydrophobicContact CD2-CG2 3.73Å; L32-V45 HydrophobicContact CD1-CG1 4.47Å; L32-V45 HydrophobicContact CD1-CG2 4.22Å; L32-V45 HydrophobicContact CD2-CB 4.21Å; L32-L61 HydrophobicContact CB-CD1 4.49Å; L32-L61 HydrophobicContact CD1-CD1 4.13Å; L32-A75 HydrophobicContact CD1-CB 3.82Å; L32-A79 HydrophobicContact CB-CB 4.4Å; L32-V93 HydrophobicContact CD2-CG1 4.26Å
33K96.5Very high95.6Very high61 Ų6117.2 Ų17.227%0.26510%0.099SC..Hα-helixtrans-60.9-49.7174.6164.4-17657.566.90111C29 E30 I31 L36 I37 F60C29-K33 PolarHBondContact O-N 3.13Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.17Å; E30-K33 WeakPolarHBondContact OE2-CE 3.48Å; E30-K33 IonicContact OE2-NZ 3.7Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; I31-K33 VanDerWaalsContact C-N 3.32Å; I31-K33 PolarHBondContact O-N 2.82Å; K33-L36 PolarHBondContact O-N 2.74Å; K33-I37 HydrophobicContact CD-CD1 4.22Å; K33-I37 HydrophobicContact CG-CD1 3.59Å; K33-I37 HydrophobicContact CG-CG1 4.42Å; K33-I37 VanDerWaalsContact O-CG1 3.32Å; K33-I37 WeakPolarHBondContact O-CG1 3.46Å; K33-I37 PolarHBondContact O-N 3.22Å; K33-F60 HydrophobicContact CB-CZ 3.82Å; K33-F60 HydrophobicContact CD-CE2 4.3Å; K33-F60 HydrophobicContact CD-CZ 3.81Å; K33-F60 HydrophobicContact CG-CZ 4.38Å
34D97.2Very high95.7Very high27 Ų2717.3 Ų17.314%0.14410%0.099CC..Hα-helixtrans-65.4-42.9-173.2-68.8-15000111.8E30 I31 L36 I37 A38 A377 G378 T381E30-D34 VanDerWaalsContact O-CG 3.28Å; E30-D34 PolarHBondContact O-N 2.77Å; I31-D34 PolarHBondContact O-N 2.96Å; D34-L36 PolarHBondContact O-N 2.97Å; D34-I37 PolarHBondContact O-N 3.25Å; D34-A38 WeakPolarHBondContact O-CB 3.09Å; D34-A38 PolarHBondContact O-N 2.89Å; D34-A377 WeakPolarHBondContact OD2-CB 3.43Å; D34-G378 PolarHBondContact OD2-N 3.23Å; D34-T381 HydrophobicContact CB-CG2 4.05Å; D34-T381 WeakPolarHBondContact CB-OG1 3.47Å
35L96.2Very high95.8Very high1 Ų117.3 Ų17.31%0.00510%0.099CC..Hα-helixtrans-60.6-45.8175.3-69.1174.7000111.6I19 V21 I31 I37 A38 G39 F40 I43 T381 A384I19-L35 HydrophobicContact CB-CD1 4.5Å; I19-L35 HydrophobicContact CG2-CD1 3.85Å; V21-L35 HydrophobicContact CG2-CD1 3.8Å; I31-L35 HydrophobicContact CG2-CD1 3.58Å; I31-L35 HydrophobicContact CG2-CG 3.96Å; I31-L35 WeakPolarHBondContact O-CB 3.41Å; I31-L35 VanDerWaalsContact O-CG 3.26Å; I31-L35 WeakPolarHBondContact O-CG 3.31Å; I31-L35 PolarHBondContact O-N 2.88Å; L35-I37 PolarHBondContact O-N 3.25Å; L35-A38 PolarHBondContact O-N 2.74Å; L35-G39 PolarHBondContact O-N 3.23Å; L35-G39 VanDerWaalsContact O-N 3.14Å; L35-F40 HydrophobicContact CB-CB 4.11Å; L35-F40 HydrophobicContact CB-CD2 3.87Å; L35-F40 HydrophobicContact CB-CG 4.23Å; L35-F40 HydrophobicContact CD2-CD2 3.44Å; L35-F40 VanDerWaalsContact CD2-CD2 3.44Å; L35-F40 HydrophobicContact CD2-CE2 3.5Å; L35-F40 VanDerWaalsContact CD2-CE2 3.5Å; L35-F40 HydrophobicContact CD2-CG 4.08Å; L35-F40 HydrophobicContact CD2-CZ 4.18Å; L35-F40 HydrophobicContact CG-CD2 4.26Å; L35-F40 WeakPolarHBondContact O-CB 3.42Å; L35-F40 WeakPolarHBondContact O-CD2 3.46Å; L35-F40 PolarHBondContact O-N 2.85Å; L35-I43 HydrophobicContact CB-CD1 3.69Å; L35-I43 HydrophobicContact CD1-CD1 4.21Å; L35-T381 HydrophobicContact CD2-CG2 4.31Å; L35-A384 HydrophobicContact CD2-CB 4.45Å
36L95.2Very high96Very high4 Ų416.8 Ų16.82%0.0219%0.094CC..Hα-helixtrans-62.7-43.6179.2-72.4171.2000112.1L32 K33 D34 A38 G39 R41 I43 A79 A83 V91 V93L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CD1 3.48Å; L32-L36 WeakPolarHBondContact O-CG 3.28Å; L32-L36 PolarHBondContact O-N 2.87Å; K33-L36 PolarHBondContact O-N 2.74Å; D34-L36 PolarHBondContact O-N 2.97Å; L36-A38 VanDerWaalsContact C-N 3.35Å; L36-G39 PolarHBondContact O-N 2.82Å; L36-R41 PolarHBondContact O-NH1 2.91Å; L36-I43 HydrophobicContact CD2-CD1 3.89Å; L36-I43 HydrophobicContact CG-CD1 4Å; L36-A79 HydrophobicContact CD1-CB 3.73Å; L36-A83 HydrophobicContact CD1-CB 4.11Å; L36-A83 HydrophobicContact CD2-CB 4.15Å; L36-V91 HydrophobicContact CD2-CG1 3.51Å; L36-V93 HydrophobicContact CD1-CG2 4.33Å; L36-V93 HydrophobicContact CD2-CG2 4.06Å
37I93.8Very high96.3Very high104 Ų10416.9 Ų16.953%0.5339%0.092SC..Hα-helixtrans-64.1-41.3175.4-68.1172000110.7K33 D34 L35 G39K33-I37 HydrophobicContact CD-CD1 4.22Å; K33-I37 HydrophobicContact CG-CD1 3.59Å; K33-I37 HydrophobicContact CG-CG1 4.42Å; K33-I37 VanDerWaalsContact O-CG1 3.32Å; K33-I37 WeakPolarHBondContact O-CG1 3.46Å; K33-I37 PolarHBondContact O-N 3.22Å; D34-I37 PolarHBondContact O-N 3.25Å; L35-I37 PolarHBondContact O-N 3.25Å; I37-G39 VanDerWaalsContact C-N 3.27Å; I37-G39 PolarHBondContact O-N 2.79Å
38A92.7Very high96.1Very high40 Ų4020.7 Ų20.733%0.33111%0.112SC..Hα-helixtrans-67.2-23.6-177.800000114D34 L35 L36 F40 T381 I385D34-A38 WeakPolarHBondContact O-CB 3.09Å; D34-A38 PolarHBondContact O-N 2.89Å; L35-A38 PolarHBondContact O-N 2.74Å; L36-A38 VanDerWaalsContact C-N 3.35Å; A38-F40 HydrophobicContact CB-CD2 4.19Å; A38-F40 HydrophobicContact CB-CE2 4.31Å; A38-T381 HydrophobicContact CB-CG2 3.87Å; A38-I385 HydrophobicContact CB-CD1 4.11Å
39G93Very high95.8Very high9 Ų923.7 Ų23.79%0.09313%0.128CC..THydrogen-bonded Turntrans130.7-7.2177.300000115.3L35 L36 I37 R41L35-G39 PolarHBondContact O-N 3.23Å; L35-G39 VanDerWaalsContact O-N 3.14Å; L36-G39 PolarHBondContact O-N 2.82Å; I37-G39 VanDerWaalsContact C-N 3.27Å; I37-G39 PolarHBondContact O-N 2.79Å; G39-R41 VanDerWaalsContact CA-NH1 3.32Å; G39-R41 WeakPolarHBondContact O-CG 3.31Å; G39-R41 PolarHBondContact O-NE 2.79Å; G39-R41 PolarHBondContact O-NH1 2.77Å; G39-R41 VanDerWaalsContact O-NH1 3.12Å
40F94.5Very high95.5Very high0 Ų026.5 Ų26.50%015%0.145CC..  trans-67.5142-178.8-67.7-82.8000111.4V14 I19 L35 A38 I43 A384 I385 L388V14-F40 HydrophobicContact CG1-CD1 4.11Å; V14-F40 HydrophobicContact CG1-CD2 3.9Å; V14-F40 HydrophobicContact CG1-CE1 4.08Å; V14-F40 HydrophobicContact CG1-CE2 3.89Å; V14-F40 HydrophobicContact CG1-CG 4.04Å; V14-F40 HydrophobicContact CG1-CZ 4Å; V14-F40 HydrophobicContact CG2-CZ 4.33Å; V14-F40 VanDerWaalsContact O-CD1 3.28Å; V14-F40 WeakPolarHBondContact O-CD1 3.47Å; I19-F40 HydrophobicContact CD1-CD1 3.8Å; I19-F40 HydrophobicContact CD1-CE1 3.5Å; I19-F40 VanDerWaalsContact CD1-CE1 3.5Å; I19-F40 HydrophobicContact CD1-CZ 4.35Å; I19-F40 HydrophobicContact CG1-CD1 3.34Å; I19-F40 HydrophobicContact CG1-CE1 3.61Å; I19-F40 HydrophobicContact CG1-CG 4.1Å; L35-F40 HydrophobicContact CB-CB 4.11Å; L35-F40 HydrophobicContact CB-CD2 3.87Å; L35-F40 HydrophobicContact CB-CG 4.23Å; L35-F40 HydrophobicContact CD2-CD2 3.44Å; L35-F40 VanDerWaalsContact CD2-CD2 3.44Å; L35-F40 HydrophobicContact CD2-CE2 3.5Å; L35-F40 VanDerWaalsContact CD2-CE2 3.5Å; L35-F40 HydrophobicContact CD2-CG 4.08Å; L35-F40 HydrophobicContact CD2-CZ 4.18Å; L35-F40 HydrophobicContact CG-CD2 4.26Å; L35-F40 WeakPolarHBondContact O-CB 3.42Å; L35-F40 WeakPolarHBondContact O-CD2 3.46Å; L35-F40 PolarHBondContact O-N 2.85Å; A38-F40 HydrophobicContact CB-CD2 4.19Å; A38-F40 HydrophobicContact CB-CE2 4.31Å; F40-I43 HydrophobicContact CB-CD1 4.1Å; F40-I43 HydrophobicContact CB-CG1 4.23Å; F40-A384 HydrophobicContact CZ-CB 4.35Å; F40-I385 HydrophobicContact CE2-CG1 4.3Å; F40-L388 HydrophobicContact CE1-CD1 3.41Å; F40-L388 VanDerWaalsContact CE1-CD1 3.41Å; F40-L388 HydrophobicContact CZ-CD1 3.47Å; F40-L388 VanDerWaalsContact CZ-CD1 3.47Å
41R94.1Very high95.1Very high22 Ų2225.5 Ų25.58%0.08314%0.141CC..  trans-125.6-23.7-172.7-54.4-62.7171.3-115.5-0.6114.6A15 L36 G39 R89 E92A15-R41 HydrophobicContact CB-CG 4.14Å; L36-R41 PolarHBondContact O-NH1 2.91Å; G39-R41 VanDerWaalsContact CA-NH1 3.32Å; G39-R41 WeakPolarHBondContact O-CG 3.31Å; G39-R41 PolarHBondContact O-NE 2.79Å; G39-R41 PolarHBondContact O-NH1 2.77Å; G39-R41 VanDerWaalsContact O-NH1 3.12Å; R41-R89 HydrophobicContact CG-CB 4.17Å; R41-E92 PolarHBondContact O-N 3.1Å; R41-E92 VanDerWaalsContact O-O 3.12Å
42D95.3Very high94.2Very high34 Ų3427.8 Ų27.818%0.18215%0.151CC..EExtended strand (participates in β ladder)trans-119.696.5177-172-16000108.8K18 I19K18-D42 WeakPolarHBondContact CA-O 3.37Å; K18-D42 WeakPolarHBondContact CD-OD2 3.3Å; K18-D42 WeakPolarHBondContact CE-OD2 3.26Å; K18-D42 HydrophobicContact CG-CB 4.09Å; K18-D42 WeakPolarHBondContact CG-OD2 3.27Å; K18-D42 IonicContact NZ-OD2 3.48Å; K18-D42 PolarHBondContact NZ-OD2 2.93Å; I19-D42 PolarHBondContact N-O 2.89Å
43I97.8Very high93.3Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-118.6126.6-178.2-54.5172.8000109I19 V21 L32 L35 L36 F40 E92 V93 K94I19-I43 CarbonylContact O-C 3.57Å; I19-I43 WeakPolarHBondContact O-CA 3.32Å; V21-I43 HydrophobicContact CG2-CG2 3.95Å; L32-I43 HydrophobicContact CD2-CG2 3.73Å; L35-I43 HydrophobicContact CB-CD1 3.69Å; L35-I43 HydrophobicContact CD1-CD1 4.21Å; L36-I43 HydrophobicContact CD2-CD1 3.89Å; L36-I43 HydrophobicContact CG-CD1 4Å; F40-I43 HydrophobicContact CB-CD1 4.1Å; F40-I43 HydrophobicContact CB-CG1 4.23Å; I43-E92 PolarHBondContact N-O 3.27Å; I43-V93 CarbonylContact O-C 3.46Å; I43-V93 VanDerWaalsContact O-CA 3.22Å; I43-V93 WeakPolarHBondContact O-CA 3.31Å; I43-K94 PolarHBondContact O-N 2.97Å
44S98.5Very high92.5Very high6 Ų631.6 Ų31.64%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-100.9137.3165.9-72.30000109.5I19 F20 V21 K94 F113I19-S44 PolarHBondContact O-N 2.75Å; F20-S44 CarbonylContact C-O 3.55Å; F20-S44 WeakPolarHBondContact CA-O 3.34Å; F20-S44 WeakPolarHBondContact CD2-O 3.43Å; V21-S44 PolarHBondContact N-O 3.27Å; S44-K94 CarbonylContact C-O 3.47Å; S44-K94 WeakPolarHBondContact CA-O 3.4Å; S44-F113 WeakPolarHBondContact OG-CE1 3.33Å
45V98.6Very high91.9Very high0 Ų030.6 Ų30.60%018%0.179CC..EExtended strand (participates in β ladder)trans-129.3133.1177.159.70000110.8V21 A24 L32 A76 V93 K94 P95 F96V21-V45 HydrophobicContact CB-CB 4.44Å; V21-V45 HydrophobicContact CB-CG2 4.34Å; V21-V45 HydrophobicContact CG1-CG2 4.42Å; V21-V45 WeakPolarHBondContact O-CA 3.35Å; A24-V45 HydrophobicContact CB-CG2 3.99Å; L32-V45 HydrophobicContact CD1-CG1 4.47Å; L32-V45 HydrophobicContact CD1-CG2 4.22Å; L32-V45 HydrophobicContact CD2-CB 4.21Å; V45-A76 HydrophobicContact CG1-CB 4.13Å; V45-V93 HydrophobicContact CG1-CG1 4.16Å; V45-K94 PolarHBondContact N-O 3.5Å; V45-P95 HydrophobicContact CG1-CB 4.48Å; V45-P95 CarbonylContact O-C 3.57Å; V45-P95 WeakPolarHBondContact O-CA 3.34Å; V45-F96 PolarHBondContact O-N 3.27Å
46I98.5Very high91.5Very high2 Ų232.8 Ų32.81%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-121.2139.5177.8-173.5167.6000111.5F20 V21 V22 G23 F96 A98 I100 F105F20-I46 HydrophobicContact CE1-CG2 4.31Å; F20-I46 HydrophobicContact CE2-CB 3.93Å; F20-I46 HydrophobicContact CE2-CG2 3.62Å; F20-I46 HydrophobicContact CZ-CB 3.97Å; F20-I46 HydrophobicContact CZ-CG2 3.38Å; V21-I46 PolarHBondContact O-N 2.8Å; V22-I46 HydrophobicContact CB-CG2 4.13Å; V22-I46 HydrophobicContact CG1-CG2 3.75Å; V22-I46 HydrophobicContact CG2-CG2 4.24Å; G23-I46 VanDerWaalsContact CA-O 3.31Å; G23-I46 WeakPolarHBondContact CA-O 3.46Å; G23-I46 PolarHBondContact N-O 3.21Å; I46-F96 WeakPolarHBondContact CA-O 3.36Å; I46-F96 HydrophobicContact CB-CB 3.98Å; I46-F96 HydrophobicContact CD1-CB 4.2Å; I46-F96 HydrophobicContact CG1-CB 3.87Å; I46-A98 HydrophobicContact CD1-CB 4.38Å; I46-A98 VanDerWaalsContact CG1-O 3.24Å; I46-A98 WeakPolarHBondContact CG1-O 3.29Å; I46-I100 HydrophobicContact CD1-CB 4.32Å; I46-I100 HydrophobicContact CD1-CD1 4.32Å; I46-F105 HydrophobicContact CD1-CD1 4.17Å; I46-F105 HydrophobicContact CD1-CD2 3.75Å; I46-F105 HydrophobicContact CD1-CE1 3.86Å; I46-F105 HydrophobicContact CD1-CE2 3.43Å; I46-F105 VanDerWaalsContact CD1-CE2 3.43Å; I46-F105 HydrophobicContact CD1-CG 4.12Å; I46-F105 HydrophobicContact CD1-CZ 3.49Å; I46-F105 VanDerWaalsContact CD1-CZ 3.49Å
47D97.4Very high90.9Very high12 Ų1237.8 Ų37.86%0.06422%0.217CC..  trans-157136170.2-161.2-63.7000109.8A24 D49 K71 A72 F96 H97 A98A24-D47 WeakPolarHBondContact CA-OD2 3.45Å; A24-D47 HydrophobicContact CB-CB 3.69Å; A24-D47 PolarHBondContact N-OD2 2.89Å; D47-D49 WeakPolarHBondContact OD1-CB 3.07Å; D47-D49 PolarHBondContact OD1-N 3.43Å; D47-K71 HydrophobicContact CB-CB 4.11Å; D47-A72 HydrophobicContact CB-CB 4Å; D47-F96 PolarHBondContact N-O 2.95Å; D47-H97 VanDerWaalsContact O-CA 3.31Å; D47-H97 WeakPolarHBondContact O-CA 3.46Å; D47-H97 PolarHBondContact O-ND1 2.98Å; D47-A98 CarbonylContact C-O 3.46Å; D47-A98 PolarHBondContact O-N 3.49Å
48L92.3Very high90.6Very high90 Ų9035.6 Ų35.647%0.47120%0.202SC..  trans-82.7-18.8-178.770150.7000113.5H97 A98L48-H97 PolarHBondContact O-CE1 3.49Å; L48-A98 WeakPolarHBondContact CA-O 3.21Å; L48-A98 PolarHBondContact N-O 2.88Å
49D89.9Confident90.5Very high63 Ų6334.1 Ų34.134%0.33719%0.189SC..PPolyproline II helixtrans-93.7166.1-168.5-65.2-22.1000113.4D47 K71 H97D47-D49 WeakPolarHBondContact OD1-CB 3.07Å; D47-D49 PolarHBondContact OD1-N 3.43Å; D49-K71 HydrophobicContact CB-CD 3.83Å; D49-K71 HydrophobicContact CB-CG 4.39Å; D49-K71 PolarHBondContact O-N 2.96Å; D49-K71 IonicContact OD2-NZ 3.93Å; D49-K71 PolarHBondContact OD2-NZ 2.88Å; D49-H97 PolarHBondContact O-CE1 3.48Å; D49-H97 VanDerWaalsContact O-CE1 3.3Å
50T90.9Very high90.7Very high59 Ų5937.1 Ų37.136%0.36220%0.199SC..BIsolated β-bridgetrans-99.7160.3164.7540000111.8M69 K71T50-M69 CarbonylContact C-O 3.51Å; T50-M69 WeakPolarHBondContact CA-O 3.4Å; T50-M69 WeakPolarHBondContact CB-O 3.48Å; T50-K71 WeakPolarHBondContact O-CE 3.43Å
51I89.5Confident90.8Very high1 Ų137.4 Ų37.41%0.00520%0.201CC..PPolyproline II helixtrans-76.5133.8-178.2-63.8161.4000110.4L56 F62 H66 V67 G68 M69 K71 V74I51-L56 HydrophobicContact CG2-CD2 4.25Å; I51-F62 HydrophobicContact CD1-CB 4.15Å; I51-F62 HydrophobicContact CD1-CD1 3.45Å; I51-F62 VanDerWaalsContact CD1-CD1 3.45Å; I51-F62 HydrophobicContact CD1-CD2 4.19Å; I51-F62 HydrophobicContact CD1-CE1 3.88Å; I51-F62 HydrophobicContact CD1-CG 3.66Å; I51-F62 HydrophobicContact CD1-CZ 4.42Å; I51-F62 HydrophobicContact CG1-CB 4.44Å; I51-F62 HydrophobicContact CG1-CD1 4.02Å; I51-F62 HydrophobicContact CG1-CD2 3.85Å; I51-F62 HydrophobicContact CG1-CE1 4.27Å; I51-F62 HydrophobicContact CG1-CE2 4.1Å; I51-F62 HydrophobicContact CG1-CG 3.83Å; I51-F62 HydrophobicContact CG1-CZ 4.32Å; I51-F62 HydrophobicContact CG2-CB 3.92Å; I51-F62 HydrophobicContact CG2-CD2 4.23Å; I51-F62 HydrophobicContact CG2-CG 4.15Å; I51-H66 HydrophobicContact CD1-CB 3.65Å; I51-V67 HydrophobicContact CG2-CG2 4.46Å; I51-V67 CarbonylContact O-C 3.58Å; I51-V67 WeakPolarHBondContact O-CA 3.2Å; I51-G68 PolarHBondContact O-N 3.26Å; I51-M69 PolarHBondContact N-O 3.46Å; I51-K71 HydrophobicContact CG1-CB 4.43Å; I51-K71 HydrophobicContact CG1-CG 3.79Å; I51-V74 HydrophobicContact CD1-CB 3.7Å; I51-V74 HydrophobicContact CD1-CG1 3.83Å; I51-V74 HydrophobicContact CD1-CG2 3.77Å
52E79.9Confident90.9Very high48 Ų4836.5 Ų36.522%0.22420%0.198CC..  trans-116.8161.2174.6-65.5154.8-177.800112S54 N55E52-S54 PolarHBondContact O-N 3.46Å; E52-S54 PolarHBondContact OE2-OG 3.28Å; E52-N55 PolarHBondContact N-OD1 2.95Å; E52-N55 VanDerWaalsContact O-CB 3.24Å; E52-N55 WeakPolarHBondContact O-CB 3.16Å; E52-N55 PolarHBondContact O-N 3.34Å; E52-N55 PolarHBondContact OE2-ND2 2.97Å
53C78.7Confident90.9Very high89 Ų8940.5 Ų40.560%0.60121%0.21SC*.G310 helixtrans-56.4-37.8174.1-67.50000112.4N55 L56C53-N55 PolarHBondContact O-N 3.2Å; C53-N55 VanDerWaalsContact O-N 3.13Å; C53-L56 PolarHBondContact O-N 3.14Å
54S77.7Confident90.7Very high53 Ų5345.7 Ų45.737%0.37124%0.242SC..G310 helixtrans-62.9-17.9179.573.50000113.4E52 N57 R58E52-S54 PolarHBondContact O-N 3.46Å; E52-S54 PolarHBondContact OE2-OG 3.28Å; S54-N57 PolarHBondContact O-OD1 3.17Å; S54-R58 PolarHBondContact O-NH1 3.37Å
55N85.3Confident90.5Very high5 Ų552.8 Ų52.83%0.02727%0.274CS..G310 helixtrans-84.7-26.3-176-60176000112.5E52 C53 N57 R58 Q59 K71E52-N55 PolarHBondContact N-OD1 2.95Å; E52-N55 VanDerWaalsContact O-CB 3.24Å; E52-N55 WeakPolarHBondContact O-CB 3.16Å; E52-N55 PolarHBondContact O-N 3.34Å; E52-N55 PolarHBondContact OE2-ND2 2.97Å; C53-N55 PolarHBondContact O-N 3.2Å; C53-N55 VanDerWaalsContact O-N 3.13Å; N55-N57 PolarHBondContact O-N 3.01Å; N55-N57 VanDerWaalsContact O-N 3.14Å; N55-R58 PolarHBondContact O-N 3.06Å; N55-Q59 HydrophobicContact CB-CG 4.38Å; N55-Q59 WeakPolarHBondContact O-CB 3.36Å; N55-Q59 PolarHBondContact O-N 3.4Å; N55-K71 WeakPolarHBondContact OD1-CE 3.37Å
56L88.8Confident90.3Very high48 Ų4854.1 Ų54.125%0.25128%0.28SS..THydrogen-bonded Turntrans-66.2-20-166.6-58.9-177.5000114.4I51 C53 R58 F62I51-L56 HydrophobicContact CG2-CD2 4.25Å; C53-L56 PolarHBondContact O-N 3.14Å; L56-R58 VanDerWaalsContact C-N 3.25Å; L56-R58 PolarHBondContact O-N 2.92Å; L56-F62 HydrophobicContact CD2-CB 3.74Å
57N81.7Confident89.8Confident108 Ų10856.8 Ų56.858%0.57830%0.297SS*.THydrogen-bonded Turntrans-72.5-14.8178.272.2-26.9000114S54 N55S54-N57 PolarHBondContact O-OD1 3.17Å; N55-N57 PolarHBondContact O-N 3.01Å; N55-N57 VanDerWaalsContact O-N 3.14Å
58R86.9Confident89.4Confident58 Ų5858.7 Ų58.722%0.21932%0.319CS..THydrogen-bonded Turntrans-145.1-5.3-172.470.5-171.3174.3-81.75.6115.5S54 N55 L56 A370S54-R58 PolarHBondContact O-NH1 3.37Å; N55-R58 PolarHBondContact O-N 3.06Å; L56-R58 VanDerWaalsContact C-N 3.25Å; L56-R58 PolarHBondContact O-N 2.92Å; R58-A370 HydrophobicContact CB-CB 4.21Å
59Q92.3Very high89.6Confident9 Ų959 Ų594%0.04232%0.319CS..  trans-113.475.5178.7-61178.911.900108.2N55 L61 F62N55-Q59 HydrophobicContact CB-CG 4.38Å; N55-Q59 WeakPolarHBondContact O-CB 3.36Å; N55-Q59 PolarHBondContact O-N 3.4Å; Q59-L61 PolarHBondContact O-N 3.3Å; Q59-F62 HydrophobicContact CB-CD2 3.4Å; Q59-F62 VanDerWaalsContact CB-CD2 3.4Å; Q59-F62 HydrophobicContact CB-CE2 3.73Å; Q59-F62 HydrophobicContact CB-CG 4.33Å; Q59-F62 HydrophobicContact CG-CD2 4.33Å; Q59-F62 HydrophobicContact CG-CE2 4.33Å; Q59-F62 WeakPolarHBondContact O-CB 3.26Å; Q59-F62 PolarHBondContact O-N 3.01Å; Q59-F62 VanDerWaalsContact OE1-CD2 3.25Å
60F95.3Very high90Very high73 Ų7356.5 Ų56.532%0.3231%0.307SS..THydrogen-bonded Turntrans-67.4-6.6-164.779.1-83.5000114.8C29 E30 K33 R63C29-F60 HydrophobicContact CB-CD1 4.27Å; C29-F60 HydrophobicContact CB-CE1 4.06Å; C29-F60 WeakPolarHBondContact O-CE1 3.43Å; E30-F60 HydrophobicContact CG-CD1 4.43Å; E30-F60 HydrophobicContact CG-CE1 4.14Å; K33-F60 HydrophobicContact CB-CZ 3.82Å; K33-F60 HydrophobicContact CD-CE2 4.3Å; K33-F60 HydrophobicContact CD-CZ 3.81Å; K33-F60 HydrophobicContact CG-CZ 4.38Å; F60-R63 PolarHBondContact O-NH1 3.24Å
61L97Very high90.3Very high5 Ų554.3 Ų54.33%0.02629%0.293CS..THydrogen-bonded Turntrans-77.7-13170.2-63.1178.4000112.1C29 L32 Q59 A75 T78 A79C29-L61 HydrophobicContact CB-CD1 3.95Å; C29-L61 HydrophobicContact CB-CG 4.02Å; L32-L61 HydrophobicContact CB-CD1 4.49Å; L32-L61 HydrophobicContact CD1-CD1 4.13Å; Q59-L61 PolarHBondContact O-N 3.3Å; L61-A75 HydrophobicContact CD1-CB 3.97Å; L61-T78 HydrophobicContact CB-CG2 4.29Å; L61-T78 HydrophobicContact CD2-CG2 3.92Å; L61-T78 PolarHBondContact O-OG1 3.23Å; L61-A79 HydrophobicContact CD1-CB 4.27Å
62F96.2Very high90.7Very high4 Ų454.3 Ų54.32%0.01829%0.292CS..  trans-101.8150.8-175.6-51.1-31.3000111.9A24 I51 L56 Q59 K71 V74 A75A24-F62 WeakPolarHBondContact O-CZ 3.27Å; I51-F62 HydrophobicContact CD1-CB 4.15Å; I51-F62 HydrophobicContact CD1-CD1 3.45Å; I51-F62 VanDerWaalsContact CD1-CD1 3.45Å; I51-F62 HydrophobicContact CD1-CD2 4.19Å; I51-F62 HydrophobicContact CD1-CE1 3.88Å; I51-F62 HydrophobicContact CD1-CG 3.66Å; I51-F62 HydrophobicContact CD1-CZ 4.42Å; I51-F62 HydrophobicContact CG1-CB 4.44Å; I51-F62 HydrophobicContact CG1-CD1 4.02Å; I51-F62 HydrophobicContact CG1-CD2 3.85Å; I51-F62 HydrophobicContact CG1-CE1 4.27Å; I51-F62 HydrophobicContact CG1-CE2 4.1Å; I51-F62 HydrophobicContact CG1-CG 3.83Å; I51-F62 HydrophobicContact CG1-CZ 4.32Å; I51-F62 HydrophobicContact CG2-CB 3.92Å; I51-F62 HydrophobicContact CG2-CD2 4.23Å; I51-F62 HydrophobicContact CG2-CG 4.15Å; L56-F62 HydrophobicContact CD2-CB 3.74Å; Q59-F62 HydrophobicContact CB-CD2 3.4Å; Q59-F62 VanDerWaalsContact CB-CD2 3.4Å; Q59-F62 HydrophobicContact CB-CE2 3.73Å; Q59-F62 HydrophobicContact CB-CG 4.33Å; Q59-F62 HydrophobicContact CG-CD2 4.33Å; Q59-F62 HydrophobicContact CG-CE2 4.33Å; Q59-F62 WeakPolarHBondContact O-CB 3.26Å; Q59-F62 PolarHBondContact O-N 3.01Å; Q59-F62 VanDerWaalsContact OE1-CD2 3.25Å; F62-K71 HydrophobicContact CE2-CB 4.24Å; F62-K71 HydrophobicContact CE2-CD 4.43Å; F62-K71 HydrophobicContact CE2-CG 4.04Å; F62-K71 HydrophobicContact CZ-CB 3.91Å; F62-K71 HydrophobicContact CZ-CG 4.2Å; F62-V74 HydrophobicContact CD1-CB 4.25Å; F62-V74 HydrophobicContact CD1-CG1 3.74Å; F62-V74 HydrophobicContact CE1-CB 4.18Å; F62-V74 HydrophobicContact CE1-CG1 4.11Å; F62-A75 HydrophobicContact CE1-CB 3.81Å; F62-A75 HydrophobicContact CZ-CB 4.03Å
63R96.1Very high91.6Very high118 Ų11857.6 Ų57.645%0.44531%0.306SS..  trans-134.9163.5-179-63.8-66.9177.9-82.6-3.3107.8F60 E65 H66F60-R63 PolarHBondContact O-NH1 3.24Å; R63-E65 HydrophobicContact CB-CG 4.04Å; R63-E65 PolarHBondContact O-N 2.91Å; R63-H66 PolarHBondContact N-ND1 3.47Å; R63-H66 WeakPolarHBondContact O-CB 3.35Å; R63-H66 PolarHBondContact O-N 3.08Å
64T93.2Very high92.5Very high109 Ų10953.7 Ų53.767%0.66928%0.279SS*.G310 helixtrans-56.2-35.4-179.9-480000112.8H66 V67T64-H66 PolarHBondContact O-N 3.06Å; T64-V67 VanDerWaalsContact O-CG2 3.31Å; T64-V67 WeakPolarHBondContact O-CG2 3.36Å; T64-V67 PolarHBondContact O-N 3.44Å
65E95.3Very high93.5Very high154 Ų15451.1 Ų51.172%0.7226%0.262SS*.G310 helixtrans-66.4-15.8176.165.3-172.5-158.100114.3R63R63-E65 HydrophobicContact CB-CG 4.04Å; R63-E65 PolarHBondContact O-N 2.91Å
66H94.3Very high94.1Very high28 Ų2851 Ų5113%0.1326%0.261CS..G310 helixtrans-92.7-3.2179.6-55.8147.7000113.5I51 R63 T64 G68 M69 V74I51-H66 HydrophobicContact CD1-CB 3.65Å; R63-H66 PolarHBondContact N-ND1 3.47Å; R63-H66 WeakPolarHBondContact O-CB 3.35Å; R63-H66 PolarHBondContact O-N 3.08Å; T64-H66 PolarHBondContact O-N 3.06Å; H66-G68 PolarHBondContact O-N 2.97Å; H66-M69 HydrophobicContact CB-SD 4.32Å; H66-M69 WeakPolarHBondContact O-CB 3.3Å; H66-M69 WeakPolarHBondContact O-CG 3.5Å; H66-M69 PolarHBondContact O-N 3.21Å; H66-V74 HydrophobicContact CB-CG1 4Å; H66-V74 HydrophobicContact CB-CG2 4.34Å; H66-V74 WeakPolarHBondContact ND1-CG1 3.37Å
67V87.8Confident94.5Very high59 Ų5952.8 Ų52.836%0.35827%0.274SS..THydrogen-bonded Turntrans-59.3132.9-179173.60000110.2I51 T64 M69I51-V67 HydrophobicContact CG2-CG2 4.46Å; I51-V67 CarbonylContact O-C 3.58Å; I51-V67 WeakPolarHBondContact O-CA 3.2Å; T64-V67 VanDerWaalsContact O-CG2 3.31Å; T64-V67 WeakPolarHBondContact O-CG2 3.36Å; T64-V67 PolarHBondContact O-N 3.44Å; V67-M69 VanDerWaalsContact C-N 3.3Å
68G89.2Confident95.2Very high52 Ų5248.2 Ų48.254%0.53625%0.25SS..THydrogen-bonded Turntrans83.9-6.7-173.600000115I51 H66I51-G68 PolarHBondContact O-N 3.26Å; H66-G68 PolarHBondContact O-N 2.97Å
69M96.6Very high95.7Very high95 Ų9545.7 Ų45.747%0.46824%0.242SC..SBendtrans-88.7158.4174.9-56178.568.800111.5T50 I51 H66 V67 K71 V74T50-M69 CarbonylContact C-O 3.51Å; T50-M69 WeakPolarHBondContact CA-O 3.4Å; T50-M69 WeakPolarHBondContact CB-O 3.48Å; I51-M69 PolarHBondContact N-O 3.46Å; H66-M69 HydrophobicContact CB-SD 4.32Å; H66-M69 WeakPolarHBondContact O-CB 3.3Å; H66-M69 WeakPolarHBondContact O-CG 3.5Å; H66-M69 PolarHBondContact O-N 3.21Å; V67-M69 VanDerWaalsContact C-N 3.3Å; M69-K71 PolarHBondContact O-N 2.85Å; M69-V74 HydrophobicContact CB-CG2 3.75Å; M69-V74 HydrophobicContact CE-CG2 4.02Å; M69-V74 HydrophobicContact SD-CG2 4.24Å
70S97.6Very high95.7Very high12 Ų1249.1 Ų49.18%0.08426%0.26CS..BIsolated β-bridgetrans-59.9128.5176.7165.60000112.7A72 K73 V74 H97S70-A72 PolarHBondContact O-N 2.83Å; S70-K73 PolarHBondContact O-N 3.31Å; S70-K73 PolarHBondContact OG-N 3.21Å; S70-V74 WeakPolarHBondContact O-CG2 3.43Å; S70-V74 PolarHBondContact O-N 3.03Å; S70-V74 VanDerWaalsContact O-N 3.12Å; S70-H97 WeakPolarHBondContact CB-ND1 3.27Å; S70-H97 VanDerWaalsContact OG-CB 3.32Å; S70-H97 WeakPolarHBondContact OG-CB 3.29Å; S70-H97 VanDerWaalsContact OG-CG 3.25Å; S70-H97 PolarHBondContact OG-ND1 2.93Å
71K97.6Very high95.5Very high13 Ų1354 Ų546%0.05728%0.276CS..Hα-helixtrans-56.3-52176.1-70.1-175.8-171.1157.10111.4A24 D47 D49 T50 I51 N55 F62 M69 K73 V74 A75A24-K71 HydrophobicContact CB-CB 4.13Å; D47-K71 HydrophobicContact CB-CB 4.11Å; D49-K71 HydrophobicContact CB-CD 3.83Å; D49-K71 HydrophobicContact CB-CG 4.39Å; D49-K71 PolarHBondContact O-N 2.96Å; D49-K71 IonicContact OD2-NZ 3.93Å; D49-K71 PolarHBondContact OD2-NZ 2.88Å; T50-K71 WeakPolarHBondContact O-CE 3.43Å; I51-K71 HydrophobicContact CG1-CB 4.43Å; I51-K71 HydrophobicContact CG1-CG 3.79Å; N55-K71 WeakPolarHBondContact OD1-CE 3.37Å; F62-K71 HydrophobicContact CE2-CB 4.24Å; F62-K71 HydrophobicContact CE2-CD 4.43Å; F62-K71 HydrophobicContact CE2-CG 4.04Å; F62-K71 HydrophobicContact CZ-CB 3.91Å; F62-K71 HydrophobicContact CZ-CG 4.2Å; M69-K71 PolarHBondContact O-N 2.85Å; K71-K73 PolarHBondContact O-N 3.15Å; K71-V74 PolarHBondContact O-N 3.33Å; K71-A75 WeakPolarHBondContact O-CB 3.4Å; K71-A75 PolarHBondContact O-N 3.29Å
72A98.1Very high95.2Very high0 Ų061.2 Ų61.20%030%0.304CS..Hα-helixtrans-58.2-47-178.700000112.9D47 S70 A75 A76 P95 F96D47-A72 HydrophobicContact CB-CB 4Å; S70-A72 PolarHBondContact O-N 2.83Å; A72-A75 PolarHBondContact O-N 2.81Å; A72-A76 WeakPolarHBondContact O-CB 3.43Å; A72-A76 PolarHBondContact O-N 2.89Å; A72-P95 HydrophobicContact CB-CB 4.25Å; A72-P95 WeakPolarHBondContact O-CB 3.48Å; A72-F96 WeakPolarHBondContact CB-O 3.37Å
73K98.4Very high94.8Very high117 Ų11761.9 Ų61.951%0.50931%0.311SS..Hα-helixtrans-65.5-45.4-177.8-69.5-179.8-179.4173.50112.3S70 K71 T77 P95S70-K73 PolarHBondContact O-N 3.31Å; S70-K73 PolarHBondContact OG-N 3.21Å; K71-K73 PolarHBondContact O-N 3.15Å; K73-T77 WeakPolarHBondContact O-CB 3.39Å; K73-T77 PolarHBondContact O-N 3.07Å; K73-T77 VanDerWaalsContact O-N 3.07Å; K73-T77 PolarHBondContact O-OG1 2.96Å; K73-P95 HydrophobicContact CB-CB 4.47Å; K73-P95 HydrophobicContact CG-CB 4.12Å; K73-P95 HydrophobicContact CG-CG 4.22Å
74V98.3Very high94.1Very high7 Ų758.2 Ų58.24%0.04230%0.302CS..Hα-helixtrans-70-40179.7175.80000110.5I51 F62 H66 M69 S70 K71 T77 T78I51-V74 HydrophobicContact CD1-CB 3.7Å; I51-V74 HydrophobicContact CD1-CG1 3.83Å; I51-V74 HydrophobicContact CD1-CG2 3.77Å; F62-V74 HydrophobicContact CD1-CB 4.25Å; F62-V74 HydrophobicContact CD1-CG1 3.74Å; F62-V74 HydrophobicContact CE1-CB 4.18Å; F62-V74 HydrophobicContact CE1-CG1 4.11Å; H66-V74 HydrophobicContact CB-CG1 4Å; H66-V74 HydrophobicContact CB-CG2 4.34Å; H66-V74 WeakPolarHBondContact ND1-CG1 3.37Å; M69-V74 HydrophobicContact CB-CG2 3.75Å; M69-V74 HydrophobicContact CE-CG2 4.02Å; M69-V74 HydrophobicContact SD-CG2 4.24Å; S70-V74 WeakPolarHBondContact O-CG2 3.43Å; S70-V74 PolarHBondContact O-N 3.03Å; S70-V74 VanDerWaalsContact O-N 3.12Å; K71-V74 PolarHBondContact O-N 3.33Å; V74-T77 PolarHBondContact O-N 2.95Å; V74-T78 VanDerWaalsContact O-CB 3.25Å; V74-T78 WeakPolarHBondContact O-CB 3.35Å; V74-T78 PolarHBondContact O-N 2.7Å; V74-T78 PolarHBondContact O-OG1 3.3Å
75A98.2Very high93.2Very high0 Ų058.7 Ų58.70%031%0.308CS..Hα-helixtrans-59.7-50.9177.200000110.8A24 L32 L61 F62 K71 A72 T77 T78 A79A24-A75 HydrophobicContact CB-CB 4.18Å; L32-A75 HydrophobicContact CD1-CB 3.82Å; L61-A75 HydrophobicContact CD1-CB 3.97Å; F62-A75 HydrophobicContact CE1-CB 3.81Å; F62-A75 HydrophobicContact CZ-CB 4.03Å; K71-A75 WeakPolarHBondContact O-CB 3.4Å; K71-A75 PolarHBondContact O-N 3.29Å; A72-A75 PolarHBondContact O-N 2.81Å; A75-T77 PolarHBondContact O-N 3.4Å; A75-T78 PolarHBondContact O-N 2.86Å; A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 2.76Å
76A97.9Very high91.9Very high2 Ų256.8 Ų56.82%0.01730%0.298CS..Hα-helixtrans-58.8-49.2177.600000112.4V45 A72 T78 A79 L80 V93 P95V45-A76 HydrophobicContact CG1-CB 4.13Å; A72-A76 WeakPolarHBondContact O-CB 3.43Å; A72-A76 PolarHBondContact O-N 2.89Å; A76-T78 PolarHBondContact O-N 3.3Å; A76-A79 PolarHBondContact O-N 2.95Å; A76-L80 VanDerWaalsContact O-CB 3.31Å; A76-L80 WeakPolarHBondContact O-CB 3.34Å; A76-L80 PolarHBondContact O-N 3.15Å; A76-V93 HydrophobicContact CB-CB 4.14Å; A76-V93 HydrophobicContact CB-CG1 3.64Å; A76-P95 HydrophobicContact CB-CB 3.78Å; A76-P95 HydrophobicContact CB-CG 4.01Å
77T97.2Very high90.5Very high86 Ų8660.9 Ų60.953%0.52833%0.327SS..Hα-helixtrans-62.3-42.9-179.3-54.40000112K73 V74 A75 R81K73-T77 WeakPolarHBondContact O-CB 3.39Å; K73-T77 PolarHBondContact O-N 3.07Å; K73-T77 VanDerWaalsContact O-N 3.07Å; K73-T77 PolarHBondContact O-OG1 2.96Å; V74-T77 PolarHBondContact O-N 2.95Å; A75-T77 PolarHBondContact O-N 3.4Å; T77-R81 PolarHBondContact O-N 3.42Å
78T97Very high89.5Confident12 Ų1264.3 Ų64.37%0.07435%0.351CS..Hα-helixtrans-72.3-44.1-178.6-54.90000111L61 V74 A75 A76 L80 R81 Y82L61-T78 HydrophobicContact CB-CG2 4.29Å; L61-T78 HydrophobicContact CD2-CG2 3.92Å; L61-T78 PolarHBondContact O-OG1 3.23Å; V74-T78 VanDerWaalsContact O-CB 3.25Å; V74-T78 WeakPolarHBondContact O-CB 3.35Å; V74-T78 PolarHBondContact O-N 2.7Å; V74-T78 PolarHBondContact O-OG1 3.3Å; A75-T78 PolarHBondContact O-N 2.86Å; A76-T78 PolarHBondContact O-N 3.3Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 3.39Å; T78-R81 WeakPolarHBondContact O-CB 3.4Å; T78-R81 PolarHBondContact O-N 3Å; T78-Y82 HydrophobicContact CG2-CD2 4.24Å; T78-Y82 HydrophobicContact CG2-CE2 3.98Å; T78-Y82 VanDerWaalsContact O-CD2 3.24Å; T78-Y82 WeakPolarHBondContact O-CD2 3.46Å; T78-Y82 PolarHBondContact O-N 2.93Å
79A95.5Very high88.8Confident5 Ų566.2 Ų66.24%0.04134%0.342CS..Hα-helixtrans-60-44177.300000111.2L32 L36 L61 A75 A76 R81 Y82 A83L32-A79 HydrophobicContact CB-CB 4.4Å; L36-A79 HydrophobicContact CD1-CB 3.73Å; L61-A79 HydrophobicContact CD1-CB 4.27Å; A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 2.76Å; A76-A79 PolarHBondContact O-N 2.95Å; A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 3.12Å; A79-Y82 CarbonylContact O-C 3.58Å; A79-Y82 PolarHBondContact O-N 3.28Å; A79-Y82 VanDerWaalsContact O-N 3.13Å; A79-A83 PolarHBondContact O-N 2.99Å
80L92.9Very high88.3Confident80 Ų8069.9 Ų69.942%0.41936%0.355SS..Hα-helixtrans-62-34.3177.5-171.264.7000112.8A76 T78 Y82 A83 V91A76-L80 VanDerWaalsContact O-CB 3.31Å; A76-L80 WeakPolarHBondContact O-CB 3.34Å; A76-L80 PolarHBondContact O-N 3.15Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 3.39Å; L80-Y82 PolarHBondContact O-N 2.9Å; L80-A83 WeakPolarHBondContact O-CB 3.38Å; L80-A83 PolarHBondContact O-N 3.32Å; L80-V91 HydrophobicContact CD1-CB 3.99Å; L80-V91 HydrophobicContact CD1-CG1 3.75Å
81R92.4Very high88.1Confident176 Ų17670.4 Ų70.466%0.66436%0.358SS*.Hα-helixtrans-61.5-31.8176.2-174.3-176.7-66176.40.8112.7T77 T78 A79T77-R81 PolarHBondContact O-N 3.42Å; T78-R81 WeakPolarHBondContact O-CB 3.4Å; T78-R81 PolarHBondContact O-N 3Å; A79-R81 VanDerWaalsContact C-N 3.29Å; A79-R81 PolarHBondContact O-N 3.12Å
82Y88.7Confident87.9Confident156 Ų15674 Ų7461%0.61238%0.375SS*.Hα-helixtrans-104.30.1-178.7-63.9-72.3000113.3T78 A79 L80 P84T78-Y82 HydrophobicContact CG2-CD2 4.24Å; T78-Y82 HydrophobicContact CG2-CE2 3.98Å; T78-Y82 VanDerWaalsContact O-CD2 3.24Å; T78-Y82 WeakPolarHBondContact O-CD2 3.46Å; T78-Y82 PolarHBondContact O-N 2.93Å; A79-Y82 CarbonylContact O-C 3.58Å; A79-Y82 PolarHBondContact O-N 3.28Å; A79-Y82 VanDerWaalsContact O-N 3.13Å; L80-Y82 PolarHBondContact O-N 2.9Å; Y82-P84 WeakPolarHBondContact O-CD 3.48Å
83A88Confident87.9Confident19 Ų1974.6 Ų74.616%0.15738%0.378CS..SBendtrans-62.4128.8-179.900000110.1L36 A79 L80 C85 V91L36-A83 HydrophobicContact CD1-CB 4.11Å; L36-A83 HydrophobicContact CD2-CB 4.15Å; A79-A83 PolarHBondContact O-N 2.99Å; L80-A83 WeakPolarHBondContact O-CB 3.38Å; L80-A83 PolarHBondContact O-N 3.32Å; A83-C85 PolarHBondContact O-N 3.29Å; A83-V91 HydrophobicContact CB-CG1 4Å
84P83.1Confident87.8Confident40 Ų4073.7 Ų73.726%0.2637%0.374SS..  trans-57.3125.5171.8-27.136.9000111.2Y82 F86Y82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-F86 HydrophobicContact CB-CD2 3.58Å; P84-F86 HydrophobicContact CB-CE2 3.16Å; P84-F86 HydrophobicContact CB-CZ 3.91Å; P84-F86 HydrophobicContact CG-CE2 4.08Å; P84-F86 PolarHBondContact O-N 3.48Å
85C72.7Confident87.8Confident119 Ų11975.7 Ų75.780%0.80439%0.387SS*.  trans-83.599.5175.7-170.50000109.3A83A83-C85 PolarHBondContact O-N 3.29Å
86F67.8Low87.9Confident114 Ų11477.5 Ų77.550%0.540%0.395SS..  trans-109.3104.7173.3-65.9-73.7000109.4P84P84-F86 HydrophobicContact CB-CD2 3.58Å; P84-F86 HydrophobicContact CB-CE2 3.16Å; P84-F86 HydrophobicContact CB-CZ 3.91Å; P84-F86 HydrophobicContact CG-CE2 4.08Å; P84-F86 PolarHBondContact O-N 3.48Å
87P65Low87.8Confident114 Ų11481.4 Ų81.474%0.7441%0.413SS*.THydrogen-bonded Turntrans-61.9151.5172.523.6-30.3000111
88P66.8Low87.8Confident131 Ų13178.5 Ų78.585%0.85140%0.398SS*.THydrogen-bonded Turncis-96.7-68.336.6-35000115.1
89R75.2Confident87.8Confident92 Ų9279.7 Ų79.735%0.34741%0.407SS..SBendtrans-83.1126.8-170.4-72.7171172.3-99.5-4.2111.1E12 A15 S16 R41E12-R89 IonicContact OE1-CZ 2.88Å; E12-R89 VanDerWaalsContact OE1-CZ 3.25Å; E12-R89 IonicContact OE1-NE 2.73Å; E12-R89 PolarHBondContact OE1-NE 2.88Å; E12-R89 IonicContact OE1-NH2 3.49Å; E12-R89 PolarHBondContact OE1-NH2 3.37Å; E12-R89 IonicContact OE2-NE 2.85Å; A15-R89 PolarHBondContact O-NH1 3.03Å; S16-R89 VanDerWaalsContact CB-NH1 3.32Å; R41-R89 HydrophobicContact CG-CB 4.17Å
90K87Confident87.8Confident173 Ų17379.8 Ų79.875%0.75241%0.406SS*.PPolyproline II helixtrans-64.7133.3171.8-176.9-175.3174.9-165.20109.3
91V92.5Very high87.9Confident23 Ų2379.4 Ų79.414%0.13941%0.408CS..PPolyproline II helixtrans-83.4128.6171.1-173.60000109L36 L80 A83L36-V91 HydrophobicContact CD2-CG1 3.51Å; L80-V91 HydrophobicContact CD1-CB 3.99Å; L80-V91 HydrophobicContact CD1-CG1 3.75Å; A83-V91 HydrophobicContact CB-CG1 4Å
92E94Very high88.1Confident89 Ų8974.1 Ų74.142%0.41639%0.392SS..EExtended strand (participates in β ladder)trans-127.4129.3174.7-174.8168.2173.800110.1R41 I43R41-E92 PolarHBondContact O-N 3.1Å; R41-E92 VanDerWaalsContact O-O 3.12Å; I43-E92 PolarHBondContact N-O 3.27Å
93V96.8Very high88.4Confident12 Ų1272.1 Ų72.17%0.07340%0.398CS..EExtended strand (participates in β ladder)trans-124.1106.3169.3-170.90000107.8L32 L36 I43 V45 A76 P95L32-V93 HydrophobicContact CD2-CG1 4.26Å; L36-V93 HydrophobicContact CD1-CG2 4.33Å; L36-V93 HydrophobicContact CD2-CG2 4.06Å; I43-V93 CarbonylContact O-C 3.46Å; I43-V93 VanDerWaalsContact O-CA 3.22Å; I43-V93 WeakPolarHBondContact O-CA 3.31Å; V45-V93 HydrophobicContact CG1-CG1 4.16Å; A76-V93 HydrophobicContact CB-CB 4.14Å; A76-V93 HydrophobicContact CB-CG1 3.64Å; V93-P95 WeakPolarHBondContact O-CD 3.21Å
94K97.8Very high88.7Confident97 Ų9775.8 Ų75.842%0.42242%0.419SS..EExtended strand (participates in β ladder)trans-95.8113.9-173.6-173.3174.9-178.51780111.3I43 S44 V45 F96I43-K94 PolarHBondContact O-N 2.97Å; S44-K94 CarbonylContact C-O 3.47Å; S44-K94 WeakPolarHBondContact CA-O 3.4Å; V45-K94 PolarHBondContact N-O 3.5Å; K94-F96 HydrophobicContact CB-CE2 4.42Å; K94-F96 HydrophobicContact CD-CE2 3.98Å; K94-F96 HydrophobicContact CD-CZ 3.66Å; K94-F96 VanDerWaalsContact CE-CZ 3.43Å; K94-F96 HydrophobicContact CG-CE2 3.87Å; K94-F96 HydrophobicContact CG-CZ 3.94Å
95P98.4Very high89.3Confident49 Ų4974.3 Ų74.332%0.31841%0.409SS..EExtended strand (participates in β ladder)trans-88.4142.5-179.333.3-33.5000113V45 A72 K73 A76 V93V45-P95 HydrophobicContact CG1-CB 4.48Å; V45-P95 CarbonylContact O-C 3.57Å; V45-P95 WeakPolarHBondContact O-CA 3.34Å; A72-P95 HydrophobicContact CB-CB 4.25Å; A72-P95 WeakPolarHBondContact O-CB 3.48Å; K73-P95 HydrophobicContact CB-CB 4.47Å; K73-P95 HydrophobicContact CG-CB 4.12Å; K73-P95 HydrophobicContact CG-CG 4.22Å; A76-P95 HydrophobicContact CB-CB 3.78Å; A76-P95 HydrophobicContact CB-CG 4.01Å; V93-P95 WeakPolarHBondContact O-CD 3.21Å
96F98.4Very high90.4Very high38 Ų3872 Ų7217%0.16739%0.388CS..EExtended strand (participates in β ladder)trans-124.8119.2169.2-61.1-86.9000109.2V45 I46 D47 A72 K94 F105 F109V45-F96 PolarHBondContact O-N 3.27Å; I46-F96 WeakPolarHBondContact CA-O 3.36Å; I46-F96 HydrophobicContact CB-CB 3.98Å; I46-F96 HydrophobicContact CD1-CB 4.2Å; I46-F96 HydrophobicContact CG1-CB 3.87Å; D47-F96 PolarHBondContact N-O 2.95Å; A72-F96 WeakPolarHBondContact CB-O 3.37Å; K94-F96 HydrophobicContact CB-CE2 4.42Å; K94-F96 HydrophobicContact CD-CE2 3.98Å; K94-F96 HydrophobicContact CD-CZ 3.66Å; K94-F96 VanDerWaalsContact CE-CZ 3.43Å; K94-F96 HydrophobicContact CG-CE2 3.87Å; K94-F96 HydrophobicContact CG-CZ 3.94Å; F96-F105 HydrophobicContact CB-CE1 4.2Å; F96-F105 HydrophobicContact CB-CZ 4.05Å; F96-F105 AromaticContact CD1-CE1 3.71Å; F96-F105 HydrophobicContact CD1-CE1 3.71Å; F96-F105 HydrophobicContact CD1-CZ 4.01Å; F96-F105 HydrophobicContact CE1-CE1 4.2Å; F96-F105 AromaticContact CG-CE1 3.93Å; F96-F105 HydrophobicContact CG-CE1 3.93Å; F96-F105 HydrophobicContact CG-CZ 4.22Å; F96-F109 HydrophobicContact CE1-CE2 4.31Å; F96-F109 HydrophobicContact CE1-CZ 4.44Å; F96-F109 HydrophobicContact CE2-CE2 4.49Å; F96-F109 AromaticContact CE2-CZ 3.94Å; F96-F109 HydrophobicContact CE2-CZ 3.94Å; F96-F109 AromaticContact CZ-CE2 3.93Å; F96-F109 HydrophobicContact CZ-CE2 3.93Å; F96-F109 AromaticContact CZ-CZ 3.84Å; F96-F109 HydrophobicContact CZ-CZ 3.84Å
97H97.8Very high91.8Very high84 Ų8468.9 Ų68.939%0.38938%0.379SS..  trans-98.587.9173-176.260.8000109D47 L48 D49 S70D47-H97 VanDerWaalsContact O-CA 3.31Å; D47-H97 WeakPolarHBondContact O-CA 3.46Å; D47-H97 PolarHBondContact O-ND1 2.98Å; L48-H97 PolarHBondContact O-CE1 3.49Å; D49-H97 PolarHBondContact O-CE1 3.48Å; D49-H97 VanDerWaalsContact O-CE1 3.3Å; S70-H97 WeakPolarHBondContact CB-ND1 3.27Å; S70-H97 VanDerWaalsContact OG-CB 3.32Å; S70-H97 WeakPolarHBondContact OG-CB 3.29Å; S70-H97 VanDerWaalsContact OG-CG 3.25Å; S70-H97 PolarHBondContact OG-ND1 2.93Å
98A97.1Very high93.2Very high26 Ų2668 Ų6822%0.21537%0.367CS..SBendtrans-166.9164.7-174.800000110.1I46 D47 L48 F105I46-A98 HydrophobicContact CD1-CB 4.38Å; I46-A98 VanDerWaalsContact CG1-O 3.24Å; I46-A98 WeakPolarHBondContact CG1-O 3.29Å; D47-A98 CarbonylContact C-O 3.46Å; D47-A98 PolarHBondContact O-N 3.49Å; L48-A98 WeakPolarHBondContact CA-O 3.21Å; L48-A98 PolarHBondContact N-O 2.88Å; A98-F105 HydrophobicContact CB-CE2 3.59Å; A98-F105 HydrophobicContact CB-CZ 3.91Å
99S95.9Very high94.7Very high36 Ų3662.2 Ų62.225%0.25233%0.329SS..  trans-72.5141.6166.2-176.90000110.3T101 D102 F105S99-T101 PolarHBondContact O-N 3.03Å; S99-T101 PolarHBondContact OG-N 3.13Å; S99-T101 VanDerWaalsContact OG-N 3.16Å; S99-T101 PolarHBondContact OG-OG1 3.12Å; S99-D102 VanDerWaalsContact O-CB 3.25Å; S99-D102 WeakPolarHBondContact O-CB 3.47Å; S99-D102 PolarHBondContact O-N 3.25Å; S99-F105 WeakPolarHBondContact O-CD2 3.37Å; S99-F105 WeakPolarHBondContact O-CE2 3.42Å
100I96.2Very high95.8Very high7 Ų757.9 Ų57.94%0.03631%0.313CS..THydrogen-bonded Turntrans-65.4-15170.3-171.149.5000112.8F20 V22 I46 D102 F105 A125 H128 V129F20-I100 HydrophobicContact CE1-CD1 3.62Å; F20-I100 HydrophobicContact CZ-CD1 3.82Å; V22-I100 HydrophobicContact CG1-CB 3.91Å; V22-I100 HydrophobicContact CG1-CG1 3.88Å; V22-I100 HydrophobicContact CG1-CG2 4.07Å; I46-I100 HydrophobicContact CD1-CB 4.32Å; I46-I100 HydrophobicContact CD1-CD1 4.32Å; I100-D102 VanDerWaalsContact C-N 3.31Å; I100-F105 HydrophobicContact CD1-CB 3.77Å; I100-F105 HydrophobicContact CD1-CG 4.18Å; I100-A125 HydrophobicContact CG2-CB 3.88Å; I100-H128 PolarHBondContact O-CD2 3.05Å; I100-H128 PolarHBondContact O-NE2 3.45Å; I100-V129 HydrophobicContact CB-CG2 4.42Å; I100-V129 HydrophobicContact CG1-CG2 3.53Å; I100-V129 HydrophobicContact CG2-CG2 4.03Å
101T94.4Very high96.2Very high73 Ų7355.3 Ų55.345%0.44830%0.302SS..THydrogen-bonded Turntrans-85.2-2.4173.9640000113.4S99 H128S99-T101 PolarHBondContact O-N 3.03Å; S99-T101 PolarHBondContact OG-N 3.13Å; S99-T101 VanDerWaalsContact OG-N 3.16Å; S99-T101 PolarHBondContact OG-OG1 3.12Å; T101-H128 HydrophobicContact CG2-CB 4.27Å
102D95.7Very high96.4Very high64 Ų6461.1 Ų61.134%0.34232%0.321SS..SBendtrans-63.4134.2173.1-175.6-70.6000109.6S99 I100 T104 F105S99-D102 VanDerWaalsContact O-CB 3.25Å; S99-D102 WeakPolarHBondContact O-CB 3.47Å; S99-D102 PolarHBondContact O-N 3.25Å; I100-D102 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact O-N 3.46Å; D102-T104 WeakPolarHBondContact OD1-CB 3.42Å; D102-T104 PolarHBondContact OD1-N 3.04Å; D102-T104 PolarHBondContact OD1-OG1 3.27Å; D102-F105 HydrophobicContact CB-CD2 3.85Å; D102-F105 HydrophobicContact CB-CE2 3.93Å; D102-F105 PolarHBondContact O-N 2.9Å
103P95.1Very high96.5Very high114 Ų11457.6 Ų57.674%0.7430%0.304SS*.THydrogen-bonded Turntrans-55.8-18-178-26.935.1000115.3F105P103-F105 PolarHBondContact O-N 3.23Å
104T95.6Very high96.4Very high96 Ų9661 Ų6159%0.58932%0.316SS*.THydrogen-bonded Turntrans-64.8-24.2175.4-50.20000112.9D102 D106D102-T104 PolarHBondContact O-N 3.46Å; D102-T104 WeakPolarHBondContact OD1-CB 3.42Å; D102-T104 PolarHBondContact OD1-N 3.04Å; D102-T104 PolarHBondContact OD1-OG1 3.27Å; T104-D106 PolarHBondContact O-N 3.3Å
105F96.2Very high96.4Very high9 Ų956.3 Ų56.34%0.03930%0.296CS..SBendtrans-100.553.4-179-52.3-71.9000111.8I46 F96 A98 S99 I100 D102 P103 F109 L132I46-F105 HydrophobicContact CD1-CD1 4.17Å; I46-F105 HydrophobicContact CD1-CD2 3.75Å; I46-F105 HydrophobicContact CD1-CE1 3.86Å; I46-F105 HydrophobicContact CD1-CE2 3.43Å; I46-F105 VanDerWaalsContact CD1-CE2 3.43Å; I46-F105 HydrophobicContact CD1-CG 4.12Å; I46-F105 HydrophobicContact CD1-CZ 3.49Å; I46-F105 VanDerWaalsContact CD1-CZ 3.49Å; F96-F105 HydrophobicContact CB-CE1 4.2Å; F96-F105 HydrophobicContact CB-CZ 4.05Å; F96-F105 AromaticContact CD1-CE1 3.71Å; F96-F105 HydrophobicContact CD1-CE1 3.71Å; F96-F105 HydrophobicContact CD1-CZ 4.01Å; F96-F105 HydrophobicContact CE1-CE1 4.2Å; F96-F105 AromaticContact CG-CE1 3.93Å; F96-F105 HydrophobicContact CG-CE1 3.93Å; F96-F105 HydrophobicContact CG-CZ 4.22Å; A98-F105 HydrophobicContact CB-CE2 3.59Å; A98-F105 HydrophobicContact CB-CZ 3.91Å; S99-F105 WeakPolarHBondContact O-CD2 3.37Å; S99-F105 WeakPolarHBondContact O-CE2 3.42Å; I100-F105 HydrophobicContact CD1-CB 3.77Å; I100-F105 HydrophobicContact CD1-CG 4.18Å; D102-F105 HydrophobicContact CB-CD2 3.85Å; D102-F105 HydrophobicContact CB-CE2 3.93Å; D102-F105 PolarHBondContact O-N 2.9Å; P103-F105 PolarHBondContact O-N 3.23Å; F105-F109 HydrophobicContact CB-CD1 4.29Å; F105-F109 AromaticContact CD1-CD1 3.88Å; F105-F109 HydrophobicContact CD1-CD1 3.88Å; F105-F109 HydrophobicContact CD1-CD2 4.16Å; F105-F109 AromaticContact CD1-CE1 3.73Å; F105-F109 HydrophobicContact CD1-CE1 3.73Å; F105-F109 HydrophobicContact CD1-CE2 4.02Å; F105-F109 HydrophobicContact CD1-CG 4.1Å; F105-F109 AromaticContact CD1-CZ 3.81Å; F105-F109 HydrophobicContact CD1-CZ 3.81Å; F105-F109 HydrophobicContact CE1-CE1 4.42Å; F105-F109 HydrophobicContact CE1-CE2 4.26Å; F105-F109 HydrophobicContact CE1-CZ 4.09Å; F105-L132 WeakPolarHBondContact O-CD1 3.26Å
106D95.4Very high96.4Very high70 Ų7054 Ų5437%0.37428%0.28SS..  trans-77.4-172.1-17865.714.7000114.1T104 D108 F109 I110T104-D106 PolarHBondContact O-N 3.3Å; D106-D108 PolarHBondContact O-N 3.37Å; D106-D108 WeakPolarHBondContact OD1-CA 3.42Å; D106-D108 PolarHBondContact OD1-N 3.15Å; D106-F109 WeakPolarHBondContact O-CB 3.26Å; D106-F109 PolarHBondContact O-N 3.08Å; D106-F109 VanDerWaalsContact O-N 3.11Å; D106-F109 PolarHBondContact OD1-N 2.89Å; D106-I110 PolarHBondContact O-N 3.07Å
107V95.9Very high96.4Very high50 Ų5052.3 Ų52.330%0.30327%0.273SS..Hα-helixtrans-55.6-38.5176.11780000111.4F109 I110 K111 L132 A135 T136V107-F109 VanDerWaalsContact C-N 3.34Å; V107-I110 PolarHBondContact O-N 3.32Å; V107-K111 WeakPolarHBondContact O-CG 3.39Å; V107-K111 PolarHBondContact O-N 3.23Å; V107-L132 HydrophobicContact CG2-CD2 4.02Å; V107-A135 HydrophobicContact CG2-CB 4.28Å; V107-T136 HydrophobicContact CB-CG2 4.28Å; V107-T136 HydrophobicContact CG1-CG2 3.49Å; V107-T136 VanDerWaalsContact CG1-CG2 3.49Å; V107-T136 VanDerWaalsContact O-CG2 3.27Å; V107-T136 WeakPolarHBondContact O-CG2 3.48Å
108D96.1Very high96.4Very high94 Ų9448.3 Ų48.350%0.50326%0.255SS..Hα-helixtrans-77-22.3-179.5-67.2-26.4000112.4D106 K111 R112D106-D108 PolarHBondContact O-N 3.37Å; D106-D108 WeakPolarHBondContact OD1-CA 3.42Å; D106-D108 PolarHBondContact OD1-N 3.15Å; D108-K111 IonicContact OD1-NZ 3.6Å; D108-K111 PolarHBondContact OD1-NZ 2.96Å; D108-R112 WeakPolarHBondContact O-CG 3.47Å; D108-R112 PolarHBondContact O-NE 3.35Å
109F97.6Very high96.3Very high11 Ų1147.7 Ų47.75%0.04825%0.249CC..Hα-helixtrans-66.8-51.4164.1-171.1-92.5000112.1F20 F96 F105 D106 V107 K111 R112 F113F20-F109 HydrophobicContact CD1-CE1 4.27Å; F20-F109 HydrophobicContact CD2-CE1 4.31Å; F20-F109 HydrophobicContact CE1-CD1 4.38Å; F20-F109 AromaticContact CE1-CE1 3.82Å; F20-F109 HydrophobicContact CE1-CE1 3.82Å; F20-F109 AromaticContact CE2-CE1 3.89Å; F20-F109 HydrophobicContact CE2-CE1 3.89Å; F20-F109 HydrophobicContact CE2-CZ 4.32Å; F20-F109 HydrophobicContact CG-CE1 4.49Å; F20-F109 HydrophobicContact CZ-CD1 4.49Å; F20-F109 AromaticContact CZ-CE1 3.61Å; F20-F109 HydrophobicContact CZ-CE1 3.61Å; F20-F109 HydrophobicContact CZ-CZ 4.38Å; F96-F109 HydrophobicContact CE1-CE2 4.31Å; F96-F109 HydrophobicContact CE1-CZ 4.44Å; F96-F109 HydrophobicContact CE2-CE2 4.49Å; F96-F109 AromaticContact CE2-CZ 3.94Å; F96-F109 HydrophobicContact CE2-CZ 3.94Å; F96-F109 AromaticContact CZ-CE2 3.93Å; F96-F109 HydrophobicContact CZ-CE2 3.93Å; F96-F109 AromaticContact CZ-CZ 3.84Å; F96-F109 HydrophobicContact CZ-CZ 3.84Å; F105-F109 HydrophobicContact CB-CD1 4.29Å; F105-F109 AromaticContact CD1-CD1 3.88Å; F105-F109 HydrophobicContact CD1-CD1 3.88Å; F105-F109 HydrophobicContact CD1-CD2 4.16Å; F105-F109 AromaticContact CD1-CE1 3.73Å; F105-F109 HydrophobicContact CD1-CE1 3.73Å; F105-F109 HydrophobicContact CD1-CE2 4.02Å; F105-F109 HydrophobicContact CD1-CG 4.1Å; F105-F109 AromaticContact CD1-CZ 3.81Å; F105-F109 HydrophobicContact CD1-CZ 3.81Å; F105-F109 HydrophobicContact CE1-CE1 4.42Å; F105-F109 HydrophobicContact CE1-CE2 4.26Å; F105-F109 HydrophobicContact CE1-CZ 4.09Å; D106-F109 WeakPolarHBondContact O-CB 3.26Å; D106-F109 PolarHBondContact O-N 3.08Å; D106-F109 VanDerWaalsContact O-N 3.11Å; D106-F109 PolarHBondContact OD1-N 2.89Å; V107-F109 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 2.92Å; F109-R112 VanDerWaalsContact CA-NH2 3.35Å; F109-R112 WeakPolarHBondContact O-CB 3.32Å; F109-R112 WeakPolarHBondContact O-CG 3.4Å; F109-R112 PolarHBondContact O-N 3.3Å; F109-F113 AromaticContact CD1-CE2 3.75Å; F109-F113 HydrophobicContact CD1-CE2 3.75Å; F109-F113 HydrophobicContact CE1-CD2 4.46Å; F109-F113 AromaticContact CE1-CE2 3.36Å; F109-F113 HydrophobicContact CE1-CE2 3.36Å; F109-F113 AromaticContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CG-CE2 4.47Å; F109-F113 AromaticContact CZ-CE2 3.79Å; F109-F113 HydrophobicContact CZ-CE2 3.79Å; F109-F113 AromaticContact CZ-CZ 3.81Å; F109-F113 HydrophobicContact CZ-CZ 3.81Å; F109-F113 WeakPolarHBondContact O-CD2 3.34Å; F109-F113 WeakPolarHBondContact O-CE2 3.49Å
110I97.6Very high96.2Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-67.3-35.8-174.2-62.4-62.8000112.8F20 D106 V107 R112 F113 V116 L132 T136 T138F20-I110 HydrophobicContact CD1-CD1 3.71Å; F20-I110 HydrophobicContact CE1-CD1 3.7Å; D106-I110 PolarHBondContact O-N 3.07Å; V107-I110 PolarHBondContact O-N 3.32Å; I110-R112 PolarHBondContact O-N 2.85Å; I110-F113 PolarHBondContact O-N 3.35Å; I110-F113 VanDerWaalsContact O-N 3.08Å; I110-V116 HydrophobicContact CG2-CG2 4.17Å; I110-L132 HydrophobicContact CG1-CB 3.96Å; I110-L132 HydrophobicContact CG1-CD1 4.02Å; I110-T136 HydrophobicContact CB-CG2 4.05Å; I110-T136 HydrophobicContact CG2-CG2 4.06Å; I110-T136 WeakPolarHBondContact CG2-OG1 3.4Å; I110-T138 HydrophobicContact CG2-CG2 4.46Å
111K95.2Very high95.7Very high120 Ų12053.2 Ų53.252%0.52228%0.276SS..THydrogen-bonded Turntrans-54.3-21175.9-78.8173.7-171.9154.90114.7V107 D108 F109 F113 T136V107-K111 WeakPolarHBondContact O-CG 3.39Å; V107-K111 PolarHBondContact O-N 3.23Å; D108-K111 IonicContact OD1-NZ 3.6Å; D108-K111 PolarHBondContact OD1-NZ 2.96Å; F109-K111 PolarHBondContact O-N 2.92Å; K111-F113 PolarHBondContact O-N 3.34Å; K111-T136 HydrophobicContact CG-CG2 3.58Å
112R96.6Very high95.2Very high144 Ų14452.5 Ų52.554%0.54327%0.27SS..THydrogen-bonded Turntrans-75.6-13.7-177.9-55.3174.8-144.6172.110.7113D108 F109 I110D108-R112 WeakPolarHBondContact O-CG 3.47Å; D108-R112 PolarHBondContact O-NE 3.35Å; F109-R112 VanDerWaalsContact CA-NH2 3.35Å; F109-R112 WeakPolarHBondContact O-CB 3.32Å; F109-R112 WeakPolarHBondContact O-CG 3.4Å; F109-R112 PolarHBondContact O-N 3.3Å; I110-R112 PolarHBondContact O-N 2.85Å
113F97.3Very high94.8Very high15 Ų1551.3 Ų51.37%0.06627%0.269CS..  trans-105.2140.1-173.8-59.3-79.3000111.1K18 F20 S44 F109 I110 K111 L115 T138K18-F113 HydrophobicContact CB-CD1 3.96Å; K18-F113 WeakPolarHBondContact O-CA 3.42Å; F20-F113 HydrophobicContact CB-CB 4.22Å; F20-F113 HydrophobicContact CB-CD1 3.62Å; F20-F113 HydrophobicContact CB-CD2 3.83Å; F20-F113 HydrophobicContact CB-CE1 3.84Å; F20-F113 HydrophobicContact CB-CE2 4.05Å; F20-F113 HydrophobicContact CB-CG 3.6Å; F20-F113 HydrophobicContact CB-CZ 4.04Å; F20-F113 HydrophobicContact CD1-CD2 4.48Å; F20-F113 HydrophobicContact CD1-CE2 4.42Å; F20-F113 HydrophobicContact CD2-CE1 4.47Å; F20-F113 HydrophobicContact CD2-CE2 4.45Å; F20-F113 HydrophobicContact CD2-CZ 4.15Å; F20-F113 HydrophobicContact CG-CD2 4.25Å; F20-F113 HydrophobicContact CG-CE1 4.39Å; F20-F113 HydrophobicContact CG-CE2 4.09Å; F20-F113 HydrophobicContact CG-CG 4.48Å; F20-F113 HydrophobicContact CG-CZ 4.14Å; S44-F113 WeakPolarHBondContact OG-CE1 3.33Å; F109-F113 AromaticContact CD1-CE2 3.75Å; F109-F113 HydrophobicContact CD1-CE2 3.75Å; F109-F113 HydrophobicContact CE1-CD2 4.46Å; F109-F113 AromaticContact CE1-CE2 3.36Å; F109-F113 HydrophobicContact CE1-CE2 3.36Å; F109-F113 AromaticContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CE1-CZ 3.8Å; F109-F113 HydrophobicContact CG-CE2 4.47Å; F109-F113 AromaticContact CZ-CE2 3.79Å; F109-F113 HydrophobicContact CZ-CE2 3.79Å; F109-F113 AromaticContact CZ-CZ 3.81Å; F109-F113 HydrophobicContact CZ-CZ 3.81Å; F109-F113 WeakPolarHBondContact O-CD2 3.34Å; F109-F113 WeakPolarHBondContact O-CE2 3.49Å; I110-F113 PolarHBondContact O-N 3.35Å; I110-F113 VanDerWaalsContact O-N 3.08Å; K111-F113 PolarHBondContact O-N 3.34Å; F113-L115 VanDerWaalsContact C-N 3.33Å; F113-T138 WeakPolarHBondContact O-CG2 3.47Å
114R95Very high94.6Very high83 Ų8351.4 Ų51.431%0.31326%0.263SS..SBendtrans-75-28.3175.3178.861.7178.785.81.2111.8E13 K18 L387 L388E13-R114 IonicContact OE1-NE 3.61Å; E13-R114 PolarHBondContact OE1-NE 3.43Å; K18-R114 PolarHBondContact O-N 3.04Å; R114-L387 PolarHBondContact NH2-O 2.97Å; R114-L387 VanDerWaalsContact NH2-O 3.12Å; R114-L388 HydrophobicContact CG-CD2 3.45Å; R114-L388 VanDerWaalsContact CG-CD2 3.45Å
115L96.5Very high94.5Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-154.8140.1-177.8178.570.6000110.3I19 F20 F113 V117 P139 I141 A384 L387I19-L115 HydrophobicContact CD1-CB 3.74Å; I19-L115 HydrophobicContact CD1-CD2 4.2Å; I19-L115 HydrophobicContact CD1-CG 4.5Å; F20-L115 PolarHBondContact N-O 3.19Å; F113-L115 VanDerWaalsContact C-N 3.33Å; L115-V117 HydrophobicContact CD2-CG2 4.09Å; L115-V117 HydrophobicContact CG-CG2 4.19Å; L115-P139 HydrophobicContact CD1-CB 3.74Å; L115-I141 HydrophobicContact CD1-CD1 4.13Å; L115-I141 HydrophobicContact CD1-CG1 4.08Å; L115-I141 HydrophobicContact CD2-CD1 3.95Å; L115-A384 HydrophobicContact CD2-CB 3.33Å; L115-L387 HydrophobicContact CD1-CD1 3.62Å
116V98.3Very high94.4Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-109.8136170.9177.80000109.5F20 V22 I110 V129 T138 P139 M140 I141F20-V116 HydrophobicContact CB-CG2 4.26Å; F20-V116 HydrophobicContact CD1-CG1 4.31Å; F20-V116 HydrophobicContact CD1-CG2 4.35Å; F20-V116 CarbonylContact O-C 3.57Å; F20-V116 WeakPolarHBondContact O-CA 3.47Å; V22-V116 HydrophobicContact CG2-CG1 3.93Å; I110-V116 HydrophobicContact CG2-CG2 4.17Å; V116-V129 HydrophobicContact CG1-CG1 3.8Å; V116-T138 HydrophobicContact CG2-CG2 3.86Å; V116-P139 PolarHBondContact N-O 2.72Å; V116-M140 CarbonylContact O-C 3.45Å; V116-M140 VanDerWaalsContact O-CA 3.28Å; V116-M140 WeakPolarHBondContact O-CA 3.31Å; V116-I141 PolarHBondContact O-N 3.11Å
117V98.4Very high94.4Very high2 Ų245 Ų451%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-122.1113.1176.8-169.50000109.5I19 F20 V21 V22 I31 L115 I141I19-V117 HydrophobicContact CG2-CG2 4.09Å; F20-V117 PolarHBondContact O-N 2.81Å; V21-V117 WeakPolarHBondContact CA-O 3.45Å; V22-V117 PolarHBondContact N-O 3.09Å; I31-V117 HydrophobicContact CD1-CG1 3.61Å; I31-V117 HydrophobicContact CG2-CG1 4.35Å; L115-V117 HydrophobicContact CD2-CG2 4.09Å; L115-V117 HydrophobicContact CG-CG2 4.19Å; V117-I141 CarbonylContact C-O 3.6Å; V117-I141 WeakPolarHBondContact CA-O 3.36Å; V117-I141 HydrophobicContact CG1-CB 4.26Å; V117-I141 HydrophobicContact CG1-CG2 4.43Å; V117-I141 HydrophobicContact CG2-CB 4.49Å
118S97.8Very high94.5Very high0 Ų044.7 Ų44.70%022%0.221CC..EExtended strand (participates in β ladder)trans-90.1120.3-180164.10000110.9M140 I141 D142 C143S118-M140 VanDerWaalsContact CB-CE 3.43Å; S118-I141 PolarHBondContact N-O 3.36Å; S118-D142 WeakPolarHBondContact CB-OD1 3.45Å; S118-D142 PolarHBondContact OG-OD1 3.33Å; S118-C143 VanDerWaalsContact O-CB 3.3Å; S118-C143 WeakPolarHBondContact O-CB 3.27Å; S118-C143 PolarHBondContact O-N 2.98Å
119A96.1Very high94.5Very high13 Ų1340.2 Ų40.211%0.10720%0.197CC..  trans-122.534176.600000111.1V22 I27 I31V22-A119 CarbonylContact O-C 3.17Å; V22-A119 WeakPolarHBondContact O-CA 3.45Å; V22-A119 PolarHBondContact O-N 3.21Å; I27-A119 HydrophobicContact CB-CB 4.05Å; I27-A119 HydrophobicContact CG2-CB 4.1Å; I31-A119 HydrophobicContact CD1-CB 4.41Å
120L93.3Very high94.5Very high16 Ų1639.8 Ų39.88%0.08420%0.195CC..  trans-83.8160.1-174.9-69.5171.4000112.7V22 A125 R126 V129V22-L120 HydrophobicContact CB-CG 4.47Å; V22-L120 HydrophobicContact CG1-CD1 3.82Å; V22-L120 HydrophobicContact CG1-CD2 3.89Å; V22-L120 HydrophobicContact CG1-CG 3.92Å; L120-A125 HydrophobicContact CD1-CB 3.72Å; L120-A125 HydrophobicContact CD2-CB 4.48Å; L120-R126 HydrophobicContact CB-CG 3.76Å; L120-R126 HydrophobicContact CD1-CG 4.1Å; L120-R126 VanDerWaalsContact O-CZ 3.25Å; L120-R126 PolarHBondContact O-NE 2.72Å; L120-R126 PolarHBondContact O-NH2 3.43Å; L120-V129 HydrophobicContact CD1-CG2 4.1Å
121D85.4Confident94.5Very high143 Ų14346.5 Ų46.577%0.76522%0.22SC*.SBendtrans-114.1-5.9177.762.1-9.4000113.9
122N83.5Confident94.6Very high59 Ų5941.7 Ų41.732%0.31620%0.2SC..  trans-113.9136.5-17972.989.4000111.5D124 A125 R126N122-D124 PolarHBondContact O-N 2.96Å; N122-A125 WeakPolarHBondContact OD1-CA 3.26Å; N122-A125 WeakPolarHBondContact OD1-CB 3.38Å; N122-A125 PolarHBondContact OD1-N 3.23Å; N122-R126 WeakPolarHBondContact O-CG 3.38Å; N122-R126 PolarHBondContact O-N 3.12Å
123A88.4Confident94.7Very high38 Ų3834.9 Ų34.931%0.31418%0.175SC..Hα-helixtrans-67.9-34.8-173.400000112.8R126 S127A123-R126 PolarHBondContact O-N 3.45Å; A123-S127 PolarHBondContact O-N 3.08Å
124D90.4Very high94.5Very high116 Ų11636.1 Ų36.162%0.6218%0.182SC*.Hα-helixtrans-70.7-43-175.6-66.6-27.2000112.1N122 S127 H128N122-D124 PolarHBondContact O-N 2.96Å; D124-S127 PolarHBondContact O-N 3.41Å; D124-H128 WeakPolarHBondContact O-CB 3.45Å; D124-H128 PolarHBondContact O-N 3.3Å
125A93.2Very high94.5Very high6 Ų635 Ų355%0.0519%0.19CC..Hα-helixtrans-66.9-36.5173.400000111.6I100 L120 N122 H128 V129I100-A125 HydrophobicContact CG2-CB 3.88Å; L120-A125 HydrophobicContact CD1-CB 3.72Å; L120-A125 HydrophobicContact CD2-CB 4.48Å; N122-A125 WeakPolarHBondContact OD1-CA 3.26Å; N122-A125 WeakPolarHBondContact OD1-CB 3.38Å; N122-A125 PolarHBondContact OD1-N 3.23Å; A125-H128 WeakPolarHBondContact O-CB 3.34Å; A125-H128 PolarHBondContact O-N 3.42Å; A125-V129 VanDerWaalsContact O-CG2 3.31Å; A125-V129 WeakPolarHBondContact O-CG2 3.49Å; A125-V129 PolarHBondContact O-N 2.88Å
126R95.1Very high94.4Very high24 Ų2436 Ų369%0.09120%0.197CC..Hα-helixtrans-60-46.4172.6-72.8176.2177.9-136.24111.6L120 N122 A123 H128 V129 N130 D142 C143 Y163L120-R126 HydrophobicContact CB-CG 3.76Å; L120-R126 HydrophobicContact CD1-CG 4.1Å; L120-R126 VanDerWaalsContact O-CZ 3.25Å; L120-R126 PolarHBondContact O-NE 2.72Å; L120-R126 PolarHBondContact O-NH2 3.43Å; N122-R126 WeakPolarHBondContact O-CG 3.38Å; N122-R126 PolarHBondContact O-N 3.12Å; A123-R126 PolarHBondContact O-N 3.45Å; R126-H128 VanDerWaalsContact C-N 3.32Å; R126-H128 PolarHBondContact O-N 3.23Å; R126-V129 PolarHBondContact O-N 3.49Å; R126-N130 VanDerWaalsContact O-CB 3.25Å; R126-N130 WeakPolarHBondContact O-CB 3.34Å; R126-N130 PolarHBondContact O-N 2.86Å; R126-D142 IonicContact CZ-OD1 3.82Å; R126-D142 IonicContact CZ-OD2 2.79Å; R126-D142 IonicContact NE-OD1 3.4Å; R126-D142 IonicContact NH1-OD1 2.72Å; R126-D142 IonicContact NH1-OD2 3.94Å; R126-D142 PolarHBondContact NH1-OD2 3.03Å; R126-C143 PolarHBondContact NH1-O 3.22Å; R126-C143 PolarHBondContact NH2-O 3.18Å; R126-Y163 HydrophobicContact CB-CD1 4.1Å; R126-Y163 HydrophobicContact CB-CD2 4.44Å; R126-Y163 HydrophobicContact CB-CE1 3.6Å; R126-Y163 HydrophobicContact CB-CE2 4Å; R126-Y163 HydrophobicContact CB-CG 4.49Å; R126-Y163 VanDerWaalsContact CD-OH 3.29Å; R126-Y163 WeakPolarHBondContact CD-OH 3.34Å; R126-Y163 HydrophobicContact CG-CE2 4.47Å
127S95.4Very high94.1Very high12 Ų1240.1 Ų40.18%0.08422%0.218CC..Hα-helixtrans-62.7-37.5174.9176.70000112.2A123 D124 R131 D164A123-S127 PolarHBondContact O-N 3.08Å; D124-S127 PolarHBondContact O-N 3.41Å; S127-R131 WeakPolarHBondContact O-CG 3.48Å; S127-R131 PolarHBondContact O-N 3.14Å; S127-R131 PolarHBondContact O-NE 3.27Å; S127-D164 WeakPolarHBondContact CB-OD1 3.42Å; S127-D164 WeakPolarHBondContact CB-OD2 3.47Å; S127-D164 VanDerWaalsContact OG-CG 3.27Å; S127-D164 PolarHBondContact OG-OD1 3.29Å; S127-D164 VanDerWaalsContact OG-OD1 3.12Å; S127-D164 PolarHBondContact OG-OD2 2.92Å
128H96.9Very high93.9Very high43 Ų4340.6 Ų40.620%0.19922%0.221CC..Hα-helixtrans-63.2-50.9175.4-175.974.1000112I100 T101 D124 A125 R126 N130 R131 L132I100-H128 PolarHBondContact O-CD2 3.05Å; I100-H128 PolarHBondContact O-NE2 3.45Å; T101-H128 HydrophobicContact CG2-CB 4.27Å; D124-H128 WeakPolarHBondContact O-CB 3.45Å; D124-H128 PolarHBondContact O-N 3.3Å; A125-H128 WeakPolarHBondContact O-CB 3.34Å; A125-H128 PolarHBondContact O-N 3.42Å; R126-H128 VanDerWaalsContact C-N 3.32Å; R126-H128 PolarHBondContact O-N 3.23Å; H128-N130 VanDerWaalsContact C-N 3.34Å; H128-N130 PolarHBondContact O-N 2.7Å; H128-R131 PolarHBondContact O-N 2.82Å; H128-L132 PolarHBondContact O-N 3.42Å
129V97.4Very high93.8Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-61-43.3177177.10000111.3V22 I100 V116 L120 A125 R126 R131 L132 C133 M140V22-V129 HydrophobicContact CG1-CG2 4.05Å; V22-V129 HydrophobicContact CG2-CG1 4.39Å; V22-V129 HydrophobicContact CG2-CG2 4.37Å; I100-V129 HydrophobicContact CB-CG2 4.42Å; I100-V129 HydrophobicContact CG1-CG2 3.53Å; I100-V129 HydrophobicContact CG2-CG2 4.03Å; V116-V129 HydrophobicContact CG1-CG1 3.8Å; L120-V129 HydrophobicContact CD1-CG2 4.1Å; A125-V129 VanDerWaalsContact O-CG2 3.31Å; A125-V129 WeakPolarHBondContact O-CG2 3.49Å; A125-V129 PolarHBondContact O-N 2.88Å; R126-V129 PolarHBondContact O-N 3.49Å; V129-R131 VanDerWaalsContact C-N 3.35Å; V129-R131 PolarHBondContact O-N 2.87Å; V129-L132 PolarHBondContact O-N 2.93Å; V129-C133 WeakPolarHBondContact O-CB 3.39Å; V129-C133 PolarHBondContact O-N 3.08Å; V129-C133 PolarHBondContact O-SG 2.85Å; V129-M140 HydrophobicContact CB-CE 4.21Å; V129-M140 HydrophobicContact CG1-CE 3.83Å; V129-M140 HydrophobicContact CG1-SD 3.97Å
130N97.4Very high93.8Very high1 Ų140.9 Ų40.91%0.00522%0.222CC..Hα-helixtrans-53-51.5174.2172.561.8000111.2R126 H128 L132 C133 L134 M140 C162 Y163 D164R126-N130 VanDerWaalsContact O-CB 3.25Å; R126-N130 WeakPolarHBondContact O-CB 3.34Å; R126-N130 PolarHBondContact O-N 2.86Å; H128-N130 VanDerWaalsContact C-N 3.34Å; H128-N130 PolarHBondContact O-N 2.7Å; N130-L132 PolarHBondContact O-N 3.33Å; N130-C133 PolarHBondContact O-N 3.24Å; N130-L134 VanDerWaalsContact O-CG 3.26Å; N130-L134 WeakPolarHBondContact O-CG 3.25Å; N130-L134 PolarHBondContact O-N 2.77Å; N130-M140 HydrophobicContact CB-SD 4.21Å; N130-C162 WeakPolarHBondContact OD1-CB 3.28Å; N130-Y163 PolarHBondContact OD1-N 3.31Å; N130-D164 PolarHBondContact ND2-OD2 2.61Å
131R97.5Very high94.1Very high142 Ų14240.1 Ų40.154%0.53622%0.218SC..Hα-helixtrans-61.4-41.4179.1-76.6-179.8-78.1149.9-8.3112.8S127 H128 V129 A135S127-R131 WeakPolarHBondContact O-CG 3.48Å; S127-R131 PolarHBondContact O-N 3.14Å; S127-R131 PolarHBondContact O-NE 3.27Å; H128-R131 PolarHBondContact O-N 2.82Å; V129-R131 VanDerWaalsContact C-N 3.35Å; V129-R131 PolarHBondContact O-N 2.87Å; R131-A135 WeakPolarHBondContact O-CB 3.28Å; R131-A135 PolarHBondContact O-N 3.15Å
132L97.7Very high94.6Very high18 Ų1833.6 Ų33.69%0.09418%0.183CC..Hα-helixtrans-62.8-47.4176.3-68.3172.9000111.5F105 V107 I110 H128 V129 N130 L134 A135 T136F105-L132 WeakPolarHBondContact O-CD1 3.26Å; V107-L132 HydrophobicContact CG2-CD2 4.02Å; I110-L132 HydrophobicContact CG1-CB 3.96Å; I110-L132 HydrophobicContact CG1-CD1 4.02Å; H128-L132 PolarHBondContact O-N 3.42Å; V129-L132 PolarHBondContact O-N 2.93Å; N130-L132 PolarHBondContact O-N 3.33Å; L132-L134 VanDerWaalsContact C-N 3.35Å; L132-L134 PolarHBondContact O-N 2.73Å; L132-A135 WeakPolarHBondContact O-CB 3.34Å; L132-A135 PolarHBondContact O-N 3.28Å; L132-A135 VanDerWaalsContact O-N 3.1Å; L132-T136 WeakPolarHBondContact O-CG2 3.27Å; L132-T136 PolarHBondContact O-N 2.87Å; L132-T136 PolarHBondContact O-OG1 3.02Å
133C97Very high95.2Very high2 Ų230.8 Ų30.81%0.01417%0.168CC..Hα-helixtrans-62.4-40.6179.5-650000112.1V129 N130 A135 T136 N137 T138 M140V129-C133 WeakPolarHBondContact O-CB 3.39Å; V129-C133 PolarHBondContact O-N 3.08Å; V129-C133 PolarHBondContact O-SG 2.85Å; N130-C133 PolarHBondContact O-N 3.24Å; C133-A135 VanDerWaalsContact C-N 3.34Å; C133-A135 PolarHBondContact O-N 3.3Å; C133-T136 PolarHBondContact O-N 3.36Å; C133-T136 PolarHBondContact O-OG1 2.9Å; C133-N137 CarbonylContact O-C 3.59Å; C133-N137 WeakPolarHBondContact O-CA 3.4Å; C133-N137 PolarHBondContact O-N 2.98Å; C133-T138 WeakPolarHBondContact CB-O 3.44Å; C133-T138 PolarHBondContact O-N 3.43Å; C133-M140 HydrophobicContact CB-CB 3.99Å; C133-M140 HydrophobicContact CB-SD 4.43Å
134L94.8Very high95.3Very high40 Ų4029.1 Ų29.121%0.20915%0.154CC..Hα-helixtrans-65.7-35.2173.5-67.4173.4000112.6N130 L132 T136 I155 K157 C162N130-L134 VanDerWaalsContact O-CG 3.26Å; N130-L134 WeakPolarHBondContact O-CG 3.25Å; N130-L134 PolarHBondContact O-N 2.77Å; L132-L134 VanDerWaalsContact C-N 3.35Å; L132-L134 PolarHBondContact O-N 2.73Å; L134-T136 VanDerWaalsContact C-N 3.33Å; L134-I155 HydrophobicContact CD2-CG2 4.32Å; L134-K157 HydrophobicContact CD2-CB 3.94Å; L134-K157 HydrophobicContact CD2-CG 4.15Å; L134-K157 VanDerWaalsContact O-CD 3.27Å; L134-K157 WeakPolarHBondContact O-CD 3.31Å; L134-K157 VanDerWaalsContact O-CE 3.29Å; L134-K157 WeakPolarHBondContact O-CE 3.39Å; L134-K157 PolarHBondContact O-NZ 3.07Å; L134-C162 HydrophobicContact CD1-CB 3.74Å; L134-C162 HydrophobicContact CD2-CB 4.25Å; L134-C162 HydrophobicContact CG-CB 4.48Å
135A95Very high95.3Very high59 Ų5925.2 Ų25.249%0.48814%0.135SC..Hα-helixtrans-67.9-35.3177.400000111.8V107 R131 L132 C133V107-A135 HydrophobicContact CG2-CB 4.28Å; R131-A135 WeakPolarHBondContact O-CB 3.28Å; R131-A135 PolarHBondContact O-N 3.15Å; L132-A135 WeakPolarHBondContact O-CB 3.34Å; L132-A135 PolarHBondContact O-N 3.28Å; L132-A135 VanDerWaalsContact O-N 3.1Å; C133-A135 VanDerWaalsContact C-N 3.34Å; C133-A135 PolarHBondContact O-N 3.3Å
136T93.9Very high94.7Very high23 Ų2333.3 Ų33.314%0.14116%0.164CC..Hα-helixtrans-94.1-5.5-178.760.20000114.5V107 I110 K111 L132 C133 L134 T138V107-T136 HydrophobicContact CB-CG2 4.28Å; V107-T136 HydrophobicContact CG1-CG2 3.49Å; V107-T136 VanDerWaalsContact CG1-CG2 3.49Å; V107-T136 VanDerWaalsContact O-CG2 3.27Å; V107-T136 WeakPolarHBondContact O-CG2 3.48Å; I110-T136 HydrophobicContact CB-CG2 4.05Å; I110-T136 HydrophobicContact CG2-CG2 4.06Å; I110-T136 WeakPolarHBondContact CG2-OG1 3.4Å; K111-T136 HydrophobicContact CG-CG2 3.58Å; L132-T136 WeakPolarHBondContact O-CG2 3.27Å; L132-T136 PolarHBondContact O-N 2.87Å; L132-T136 PolarHBondContact O-OG1 3.02Å; C133-T136 PolarHBondContact O-N 3.36Å; C133-T136 PolarHBondContact O-OG1 2.9Å; L134-T136 VanDerWaalsContact C-N 3.33Å; T136-T138 WeakPolarHBondContact CB-OG1 3.25Å; T136-T138 PolarHBondContact O-N 3.44Å; T136-T138 VanDerWaalsContact OG1-CB 3.26Å; T136-T138 WeakPolarHBondContact OG1-CB 3.34Å; T136-T138 PolarHBondContact OG1-N 3.23Å; T136-T138 PolarHBondContact OG1-OG1 2.97Å
137N92.2Very high94Very high85 Ų8532.8 Ų32.846%0.45517%0.166SC..THydrogen-bonded Turntrans58.422.8-168.5-154.232.7000113.4C133 P139 K157C133-N137 CarbonylContact O-C 3.59Å; C133-N137 WeakPolarHBondContact O-CA 3.4Å; C133-N137 PolarHBondContact O-N 2.98Å; N137-P139 WeakPolarHBondContact O-CD 3.35Å; N137-K157 VanDerWaalsContact OD1-CB 3.29Å; N137-K157 WeakPolarHBondContact OD1-CB 3.47Å
138T93.9Very high93.6Very high13 Ų1343.4 Ų43.48%0.0820%0.204CC..  trans-80.2126.1178.1-56.80000109.1I110 F113 V116 C133 T136 M140I110-T138 HydrophobicContact CG2-CG2 4.46Å; F113-T138 WeakPolarHBondContact O-CG2 3.47Å; V116-T138 HydrophobicContact CG2-CG2 3.86Å; C133-T138 WeakPolarHBondContact CB-O 3.44Å; C133-T138 PolarHBondContact O-N 3.43Å; T136-T138 WeakPolarHBondContact CB-OG1 3.25Å; T136-T138 PolarHBondContact O-N 3.44Å; T136-T138 VanDerWaalsContact OG1-CB 3.26Å; T136-T138 WeakPolarHBondContact OG1-CB 3.34Å; T136-T138 PolarHBondContact OG1-N 3.23Å; T136-T138 PolarHBondContact OG1-OG1 2.97Å; T138-M140 PolarHBondContact O-N 3.27Å
139P95.4Very high93.1Very high19 Ų1946 Ų4612%0.12322%0.223CC..  trans-55.3139.2173.2-28.537.1000112.2L115 V116 N137 L156 L387L115-P139 HydrophobicContact CD1-CB 3.74Å; V116-P139 PolarHBondContact N-O 2.72Å; N137-P139 WeakPolarHBondContact O-CD 3.35Å; P139-L156 HydrophobicContact CB-CD2 3.58Å; P139-L156 HydrophobicContact CG-CD2 3.78Å; P139-L387 HydrophobicContact CB-CD1 4.21Å
140M97.1Very high92.7Very high0 Ų047.6 Ų47.60%024%0.24CC..EExtended strand (participates in β ladder)trans-124.8137.6176.9177.2-174.4174.200110.6V116 S118 V129 N130 C133 T138 D142 I155V116-M140 CarbonylContact O-C 3.45Å; V116-M140 VanDerWaalsContact O-CA 3.28Å; V116-M140 WeakPolarHBondContact O-CA 3.31Å; S118-M140 VanDerWaalsContact CB-CE 3.43Å; V129-M140 HydrophobicContact CB-CE 4.21Å; V129-M140 HydrophobicContact CG1-CE 3.83Å; V129-M140 HydrophobicContact CG1-SD 3.97Å; N130-M140 HydrophobicContact CB-SD 4.21Å; C133-M140 HydrophobicContact CB-CB 3.99Å; C133-M140 HydrophobicContact CB-SD 4.43Å; T138-M140 PolarHBondContact O-N 3.27Å; M140-D142 HydrophobicContact CE-CB 4.18Å; M140-I155 HydrophobicContact CB-CB 4.2Å; M140-I155 PolarHBondContact N-O 2.98Å; M140-I155 PolarHBondContact O-N 3.02Å; M140-I155 HydrophobicContact SD-CD1 4.06Å
141I97.9Very high92.4Very high0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-110.2114.6167.7-62.6172.6000107.8L115 V116 V117 S118 V152 T153 V154 A380 K383 A384 L387L115-I141 HydrophobicContact CD1-CD1 4.13Å; L115-I141 HydrophobicContact CD1-CG1 4.08Å; L115-I141 HydrophobicContact CD2-CD1 3.95Å; V116-I141 PolarHBondContact O-N 3.11Å; V117-I141 CarbonylContact C-O 3.6Å; V117-I141 WeakPolarHBondContact CA-O 3.36Å; V117-I141 HydrophobicContact CG1-CB 4.26Å; V117-I141 HydrophobicContact CG1-CG2 4.43Å; V117-I141 HydrophobicContact CG2-CB 4.49Å; S118-I141 PolarHBondContact N-O 3.36Å; I141-V152 HydrophobicContact CG2-CG1 3.57Å; I141-T153 CarbonylContact C-O 3.41Å; I141-T153 WeakPolarHBondContact CA-O 3.45Å; I141-V154 HydrophobicContact CG1-CG2 4.37Å; I141-A380 WeakPolarHBondContact CD1-O 3.36Å; I141-A380 HydrophobicContact CG2-CB 4.07Å; I141-K383 HydrophobicContact CD1-CB 3.88Å; I141-A384 HydrophobicContact CD1-CB 3.97Å; I141-L387 HydrophobicContact CD1-CD1 4.07Å; I141-L387 HydrophobicContact CG1-CD1 4.02Å
142D97.3Very high92.3Very high6 Ų647 Ų473%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-93.5126.5173.7-16961.1000110.7S118 R126 M140 V152 T153 I155S118-D142 WeakPolarHBondContact CB-OD1 3.45Å; S118-D142 PolarHBondContact OG-OD1 3.33Å; R126-D142 IonicContact CZ-OD1 3.82Å; R126-D142 IonicContact CZ-OD2 2.79Å; R126-D142 IonicContact NE-OD1 3.4Å; R126-D142 IonicContact NH1-OD1 2.72Å; R126-D142 IonicContact NH1-OD2 3.94Å; R126-D142 PolarHBondContact NH1-OD2 3.03Å; M140-D142 HydrophobicContact CE-CB 4.18Å; D142-V152 WeakPolarHBondContact O-CA 3.42Å; D142-T153 PolarHBondContact N-O 3.29Å; D142-T153 PolarHBondContact O-N 2.83Å; D142-I155 HydrophobicContact CB-CD1 4.28Å
143C95.8Very high92.2Very high0 Ų048.8 Ų48.80%026%0.257CS..EExtended strand (participates in β ladder)trans-116.2144.1-179.6-56.30000110.3I27 S118 R126 Q151 I376 A380I27-C143 HydrophobicContact CD1-CB 4.17Å; I27-C143 HydrophobicContact CG2-CB 4.03Å; S118-C143 VanDerWaalsContact O-CB 3.3Å; S118-C143 WeakPolarHBondContact O-CB 3.27Å; S118-C143 PolarHBondContact O-N 2.98Å; R126-C143 PolarHBondContact NH1-O 3.22Å; R126-C143 PolarHBondContact NH2-O 3.18Å; C143-Q151 WeakPolarHBondContact CA-O 3.44Å; C143-I376 HydrophobicContact CB-CG2 3.81Å; C143-A380 WeakPolarHBondContact SG-CB 3.41Å
144G90.9Very high92.1Very high2 Ų250.1 Ų50.12%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-151.5149.8172.800000112.8G150 Q151G144-G150 CarbonylContact O-C 3.55Å; G144-G150 WeakPolarHBondContact O-CA 3.36Å; G144-Q151 PolarHBondContact N-O 2.93Å; G144-Q151 PolarHBondContact O-N 3.49Å; G144-Q151 PolarHBondContact O-OE1 3.07Å
145T88.8Confident92Very high34 Ų3448.6 Ų48.621%0.20926%0.257CS..EExtended strand (participates in β ladder)trans-136.2148.6174.753.70000111.2I27 V149 A372 N373 I376I27-T145 HydrophobicContact CD1-CG2 3.81Å; I27-T145 HydrophobicContact CG1-CG2 4.14Å; T145-V149 CarbonylContact C-O 3.21Å; T145-V149 WeakPolarHBondContact CA-O 3.45Å; T145-A372 HydrophobicContact CG2-CB 4.44Å; T145-N373 WeakPolarHBondContact CG2-OD1 3.49Å; T145-N373 PolarHBondContact OG1-OD1 3.29Å; T145-I376 HydrophobicContact CG2-CB 4.04Å; T145-I376 HydrophobicContact CG2-CG1 3.52Å; T145-I376 HydrophobicContact CG2-CG2 4.44Å
146R82Confident91.9Very high176 Ų17647.5 Ų47.566%0.66424%0.243SC*.EExtended strand (participates in β ladder)trans-146.5109169.1171.9164.1-173.5-149.53.5108.8R148 V149 V366R146-R148 PolarHBondContact O-N 3.47Å; R146-V149 HydrophobicContact CB-CG2 4.06Å; R146-V149 PolarHBondContact N-O 3.36Å; R146-V149 WeakPolarHBondContact O-CG2 3.21Å; R146-V149 PolarHBondContact O-N 3.36Å; R146-V366 HydrophobicContact CB-CG1 3.79Å; R146-V366 HydrophobicContact CG-CG1 3.66Å
147G79.8Confident91.6Very high13 Ų1351.3 Ų51.313%0.13426%0.258CS..BIsolated β-bridgetrans58.3-109.3-176.500000111.3P367 V369 A372G147-P367 VanDerWaalsContact CA-O 3.31Å; G147-P367 WeakPolarHBondContact CA-O 3.41Å; G147-P367 PolarHBondContact N-O 2.78Å; G147-V369 WeakPolarHBondContact O-CG2 3.49Å; G147-A372 WeakPolarHBondContact O-CB 3Å
148R87.1Confident91.3Very high235 Ų23552.4 Ų52.489%0.88728%0.279SS*.THydrogen-bonded Turntrans-100.7-1.6179.8-61.7-178.7-177.31671113.9R146R146-R148 PolarHBondContact O-N 3.47Å
149V86Confident90.9Very high98 Ų9857.7 Ų57.759%0.59430%0.3SS*.EExtended strand (participates in β ladder)trans-105.7155.1177.6-59.10000110.2T145 R146T145-V149 CarbonylContact C-O 3.21Å; T145-V149 WeakPolarHBondContact CA-O 3.45Å; R146-V149 HydrophobicContact CB-CG2 4.06Å; R146-V149 PolarHBondContact N-O 3.36Å; R146-V149 WeakPolarHBondContact O-CG2 3.21Å; R146-V149 PolarHBondContact O-N 3.36Å
150G88.9Confident90.6Very high34 Ų3459.5 Ų59.535%0.35131%0.311SS..EExtended strand (participates in β ladder)trans-170.1171.6173.200000111.4G144G144-G150 CarbonylContact O-C 3.55Å; G144-G150 WeakPolarHBondContact O-CA 3.36Å
151Q92.4Very high90.4Very high92 Ų9264.7 Ų64.743%0.4334%0.335SS..EExtended strand (participates in β ladder)trans-145156.2-178.574.3-77-8.300111.4C143 G144C143-Q151 WeakPolarHBondContact CA-O 3.44Å; G144-Q151 PolarHBondContact N-O 2.93Å; G144-Q151 PolarHBondContact O-N 3.49Å; G144-Q151 PolarHBondContact O-OE1 3.07Å
152V95.6Very high90.2Very high38 Ų3866 Ų6623%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-130122.3169.4177.70000107.2I141 D142 I376 L379 A380 K383I141-V152 HydrophobicContact CG2-CG1 3.57Å; D142-V152 WeakPolarHBondContact O-CA 3.42Å; V152-I376 HydrophobicContact CG2-CD1 4.39Å; V152-I376 HydrophobicContact CG2-CG2 3.73Å; V152-I376 WeakPolarHBondContact CG2-O 3.4Å; V152-L379 HydrophobicContact CB-CB 4.49Å; V152-L379 HydrophobicContact CG2-CB 3.76Å; V152-A380 HydrophobicContact CG1-CB 4.24Å; V152-A380 HydrophobicContact CG2-CB 4.3Å; V152-K383 HydrophobicContact CG1-CG 4.25Å
153T94.2Very high90.1Very high55 Ų5568.3 Ų68.334%0.33735%0.353SS..EExtended strand (participates in β ladder)trans-122.8132.4179.4-58.30000109.7I141 D142 I155I141-T153 CarbonylContact C-O 3.41Å; I141-T153 WeakPolarHBondContact CA-O 3.45Å; D142-T153 PolarHBondContact N-O 3.29Å; D142-T153 PolarHBondContact O-N 2.83Å; T153-I155 HydrophobicContact CG2-CG1 4.42Å
154V95Very high90Very high31 Ų3170.8 Ų70.819%0.18837%0.366CS..EExtended strand (participates in β ladder)trans-92.7129173.6173.90000108.4I141 L156 T160 K383 L387I141-V154 HydrophobicContact CG1-CG2 4.37Å; V154-L156 HydrophobicContact CG1-CD1 4.18Å; V154-L156 HydrophobicContact CG1-CD2 4.39Å; V154-L156 HydrophobicContact CG1-CG 3.9Å; V154-T160 PolarHBondContact O-OG1 3.36Å; V154-K383 HydrophobicContact CG2-CB 4.06Å; V154-K383 HydrophobicContact CG2-CD 4.17Å; V154-K383 HydrophobicContact CG2-CG 4.08Å; V154-L387 HydrophobicContact CG1-CD1 4.01Å; V154-L387 HydrophobicContact CG1-CD2 3.98Å; V154-L387 HydrophobicContact CG1-CG 4.43Å
155I93.1Very high89.9Confident7 Ų774.3 Ų74.34%0.03639%0.389CS..EExtended strand (participates in β ladder)trans-115.5115.8178.6-61168.9000108.7L134 M140 D142 T153 T160 C162L134-I155 HydrophobicContact CD2-CG2 4.32Å; M140-I155 HydrophobicContact CB-CB 4.2Å; M140-I155 PolarHBondContact N-O 2.98Å; M140-I155 PolarHBondContact O-N 3.02Å; M140-I155 HydrophobicContact SD-CD1 4.06Å; D142-I155 HydrophobicContact CB-CD1 4.28Å; T153-I155 HydrophobicContact CG2-CG1 4.42Å; I155-T160 VanDerWaalsContact CA-OG1 3.32Å; I155-T160 WeakPolarHBondContact CA-OG1 3.39Å; I155-C162 HydrophobicContact CG2-CB 4.25Å
156L91.9Very high89.8Confident37 Ų3777.8 Ų77.819%0.19441%0.406CS..  trans-128.1124.4176.9-61.8175000108.6P139 V154 A158 K159 T160 L387P139-L156 HydrophobicContact CB-CD2 3.58Å; P139-L156 HydrophobicContact CG-CD2 3.78Å; V154-L156 HydrophobicContact CG1-CD1 4.18Å; V154-L156 HydrophobicContact CG1-CD2 4.39Å; V154-L156 HydrophobicContact CG1-CG 3.9Å; L156-A158 PolarHBondContact O-N 3.11Å; L156-K159 HydrophobicContact CB-CB 3.82Å; L156-K159 HydrophobicContact CD1-CB 4.41Å; L156-K159 HydrophobicContact CD1-CD 4.24Å; L156-K159 PolarHBondContact O-N 3.25Å; L156-K159 VanDerWaalsContact O-N 3.12Å; L156-T160 HydrophobicContact CB-CG2 4.24Å; L156-T160 HydrophobicContact CG-CG2 4.5Å; L156-T160 PolarHBondContact N-OG1 3.33Å; L156-T160 PolarHBondContact O-N 2.72Å; L156-T160 PolarHBondContact O-OG1 2.86Å; L156-L387 HydrophobicContact CD1-CD2 4.13Å; L156-L387 HydrophobicContact CD2-CD2 4.09Å
157K88.5Confident89.8Confident103 Ų10375.3 Ų75.345%0.44841%0.413SS..THydrogen-bonded Turntrans-54.8133179.3-169.8-172.6-168.5160.90110.1L134 N137 K159L134-K157 HydrophobicContact CD2-CB 3.94Å; L134-K157 HydrophobicContact CD2-CG 4.15Å; L134-K157 VanDerWaalsContact O-CD 3.27Å; L134-K157 WeakPolarHBondContact O-CD 3.31Å; L134-K157 VanDerWaalsContact O-CE 3.29Å; L134-K157 WeakPolarHBondContact O-CE 3.39Å; L134-K157 PolarHBondContact O-NZ 3.07Å; N137-K157 VanDerWaalsContact OD1-CB 3.29Å; N137-K157 WeakPolarHBondContact OD1-CB 3.47Å; K157-K159 PolarHBondContact O-N 3.43Å
158A86.1Confident89.7Confident108 Ų10880 Ų8089%0.89343%0.426SS*.THydrogen-bonded Turntrans59.51179.900000116.5L156L156-A158 PolarHBondContact O-N 3.11Å
159K85.7Confident89Confident123 Ų12375 Ų7554%0.53542%0.424SS..THydrogen-bonded Turntrans-111.3-36.8176.6-68-171.1175.5-168.40112.8L156 K157 E391L156-K159 HydrophobicContact CB-CB 3.82Å; L156-K159 HydrophobicContact CD1-CB 4.41Å; L156-K159 HydrophobicContact CD1-CD 4.24Å; L156-K159 PolarHBondContact O-N 3.25Å; L156-K159 VanDerWaalsContact O-N 3.12Å; K157-K159 PolarHBondContact O-N 3.43Å; K159-E391 IonicContact NZ-OE2 3.05Å
160T88.5Confident88.1Confident57 Ų5774.9 Ų74.935%0.3543%0.434SS..SBendtrans-124.4168177.570.10000111V154 I155 L156V154-T160 PolarHBondContact O-OG1 3.36Å; I155-T160 VanDerWaalsContact CA-OG1 3.32Å; I155-T160 WeakPolarHBondContact CA-OG1 3.39Å; L156-T160 HydrophobicContact CB-CG2 4.24Å; L156-T160 HydrophobicContact CG-CG2 4.5Å; L156-T160 PolarHBondContact N-OG1 3.33Å; L156-T160 PolarHBondContact O-N 2.72Å; L156-T160 PolarHBondContact O-OG1 2.86Å
161E92.4Very high87.2Confident109 Ų10979.7 Ų79.751%0.50945%0.447SS..  trans-62.7146.8164.665.8-179.6-171.600110.5C165E161-C165 HydrophobicContact CB-CB 3.95Å
162C94.9Very high86.1Confident27 Ų2782 Ų8218%0.18246%0.458CS..  trans-91.6167.6173.384.70000111N130 L134 I155 D164 C165N130-C162 WeakPolarHBondContact OD1-CB 3.28Å; L134-C162 HydrophobicContact CD1-CB 3.74Å; L134-C162 HydrophobicContact CD2-CB 4.25Å; L134-C162 HydrophobicContact CG-CB 4.48Å; I155-C162 HydrophobicContact CG2-CB 4.25Å; C162-D164 PolarHBondContact O-N 3.41Å; C162-D164 VanDerWaalsContact O-N 3.08Å; C162-D164 PolarHBondContact SG-N 2.97Å; C162-C165 PolarHBondContact N-SG 3.34Å; C162-C165 WeakPolarHBondContact O-CB 3.34Å; C162-C165 PolarHBondContact O-N 3.04Å
163Y93.7Very high85Confident56 Ų5688.9 Ų88.922%0.2249%0.488CS..THydrogen-bonded Turntrans-54.8-32.1-178.8-176.1-101.8000113.5R126 N130R126-Y163 HydrophobicContact CB-CD1 4.1Å; R126-Y163 HydrophobicContact CB-CD2 4.44Å; R126-Y163 HydrophobicContact CB-CE1 3.6Å; R126-Y163 HydrophobicContact CB-CE2 4Å; R126-Y163 HydrophobicContact CB-CG 4.49Å; R126-Y163 VanDerWaalsContact CD-OH 3.29Å; R126-Y163 WeakPolarHBondContact CD-OH 3.34Å; R126-Y163 HydrophobicContact CG-CE2 4.47Å; N130-Y163 PolarHBondContact OD1-N 3.31Å
164D93.8Very high84.3Confident52 Ų5289 Ų8928%0.27848%0.482SS..THydrogen-bonded Turntrans-98.26.4-176.8-63.4-58.6000113.7S127 N130 C162 L166 R168S127-D164 WeakPolarHBondContact CB-OD1 3.42Å; S127-D164 WeakPolarHBondContact CB-OD2 3.47Å; S127-D164 VanDerWaalsContact OG-CG 3.27Å; S127-D164 PolarHBondContact OG-OD1 3.29Å; S127-D164 VanDerWaalsContact OG-OD1 3.12Å; S127-D164 PolarHBondContact OG-OD2 2.92Å; N130-D164 PolarHBondContact ND2-OD2 2.61Å; C162-D164 PolarHBondContact O-N 3.41Å; C162-D164 VanDerWaalsContact O-N 3.08Å; C162-D164 PolarHBondContact SG-N 2.97Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L166 PolarHBondContact O-N 3.5Å; D164-R168 IonicContact OD1-CZ 3.63Å; D164-R168 IonicContact OD1-NH1 2.7Å; D164-R168 PolarHBondContact OD1-NH1 3.4Å
165C90.7Very high83.6Confident75 Ų7590.1 Ų90.151%0.50750%0.495SS..SBendtrans-67.1-32.9179.1-84.10000113E161 C162E161-C165 HydrophobicContact CB-CB 3.95Å; C162-C165 PolarHBondContact N-SG 3.34Å; C162-C165 WeakPolarHBondContact O-CB 3.34Å; C162-C165 PolarHBondContact O-N 3.04Å
166L86.3Confident82.6Confident107 Ų10792.6 Ų92.656%0.5651%0.513SS*.SBendtrans-105.3138.5179.8-61.3178.4000110.6D164 R168D164-L166 VanDerWaalsContact C-N 3.33Å; D164-L166 PolarHBondContact O-N 3.5Å; L166-R168 PolarHBondContact O-N 2.87Å
167P81.5Confident81.6Confident124 Ų12492.6 Ų92.681%0.80552%0.515SS*.PPolyproline II helixtrans-62.7131.8177.625.8-32.9000110.3
168R77.3Confident81.2Confident112 Ų11289.2 Ų89.242%0.42350%0.504SS..PPolyproline II helixtrans-71.7144.8174.3-65.2-172.9-71.5-89.58.4109.8D164 L166 A170D164-R168 IonicContact OD1-CZ 3.63Å; D164-R168 IonicContact OD1-NH1 2.7Å; D164-R168 PolarHBondContact OD1-NH1 3.4Å; L166-R168 PolarHBondContact O-N 2.87Å; R168-A170 PolarHBondContact O-N 2.9Å; R168-A170 VanDerWaalsContact O-N 3.11Å
169P73Confident81Confident129 Ų12984.3 Ų84.384%0.83846%0.462SS*.PPolyproline II helixtrans-53.8121.6163.8-21.232.2000108.5
170A67.7Low80.6Confident96 Ų9680.2 Ų80.279%0.79344%0.443SS*.PPolyproline II helixtrans-59.2141.3176.600000109.3R168 Q172R168-A170 PolarHBondContact O-N 2.9Å; R168-A170 VanDerWaalsContact O-N 3.11Å; A170-Q172 PolarHBondContact O-N 3.23Å
171E68.5Low79.9Confident136 Ų13677.9 Ų77.964%0.63643%0.429SS*.PPolyproline II helixtrans-58.1138.3167.7-68.2-156.6148.100109.1Q173 K364E171-Q173 PolarHBondContact O-N 2.94Å; E171-K364 IonicContact OE1-NZ 3.61Å; E171-K364 PolarHBondContact OE1-NZ 3.45Å; E171-K364 IonicContact OE2-NZ 3.86Å; E171-K364 PolarHBondContact OE2-NZ 2.79Å
172Q69.7Low79Confident141 Ų14175.1 Ų75.166%0.65942%0.419SS*.  trans-66.3104.8-179.3-172.2169.90.400109.4A170 Y174A170-Q172 PolarHBondContact O-N 3.23Å; Q172-Y174 HydrophobicContact CG-CE1 4.14Å; Q172-Y174 HydrophobicContact CG-CE2 4.02Å; Q172-Y174 PolarHBondContact NE2-OH 3.04Å; Q172-Y174 PolarHBondContact OE1-OH 2.95Å
173Q73.3Confident78.4Confident182 Ų18274.1 Ų74.185%0.8541%0.413SS*.  trans-90.9138.9173.6-67.8-179.1-4.300109.8E171E171-Q173 PolarHBondContact O-N 2.94Å
174Y79.3Confident77.9Confident56 Ų5674.9 Ų74.922%0.2243%0.426CS..  trans-112.4138.7177-59.3-87.6000108.9Q172 I179 I187 H188 I191Q172-Y174 HydrophobicContact CG-CE1 4.14Å; Q172-Y174 HydrophobicContact CG-CE2 4.02Å; Q172-Y174 PolarHBondContact NE2-OH 3.04Å; Q172-Y174 PolarHBondContact OE1-OH 2.95Å; Y174-I179 HydrophobicContact CG-CD1 4.36Å; Y174-I187 HydrophobicContact CE1-CG2 4.15Å; Y174-I187 HydrophobicContact CE2-CG1 4.17Å; Y174-I187 WeakPolarHBondContact OH-CG2 3.28Å; Y174-H188 AromaticContact CD1-CD2 3.33Å; Y174-H188 WeakPolarHBondContact CD1-CD2 3.43Å; Y174-H188 AromaticContact CD1-NE2 3.12Å; Y174-H188 WeakPolarHBondContact CD1-NE2 3.33Å; Y174-H188 AromaticContact CE1-CD2 3.53Å; Y174-H188 AromaticContact CE1-NE2 3.21Å; Y174-H188 WeakPolarHBondContact CE1-NE2 3.39Å; Y174-H188 AromaticContact CG-CD2 3.86Å; Y174-I191 HydrophobicContact CD2-CD1 3.16Å; Y174-I191 HydrophobicContact CE2-CD1 3.41Å; Y174-I191 VanDerWaalsContact CE2-CD1 3.41Å; Y174-I191 HydrophobicContact CG-CD1 4.12Å
175A79.7Confident77.7Confident55 Ų5577.1 Ų77.146%0.45544%0.435SS..  trans-61.3141.1177.900000111.3C177 T178 I179A175-C177 VanDerWaalsContact C-N 3.25Å; A175-C177 PolarHBondContact O-N 2.82Å; A175-T178 WeakPolarHBondContact O-CB 3.32Å; A175-T178 PolarHBondContact O-N 3.44Å; A175-I179 PolarHBondContact O-N 3.18Å
176S72.1Confident77.7Confident60 Ų6074.8 Ų74.842%0.4242%0.419SS..Hα-helixtrans-52.5-43.5178.858.50000112T178 I179 R180 E213S176-T178 VanDerWaalsContact C-N 3.3Å; S176-T178 PolarHBondContact O-N 2.91Å; S176-I179 PolarHBondContact O-N 3.38Å; S176-I179 VanDerWaalsContact O-N 3.1Å; S176-R180 WeakPolarHBondContact O-CB 3.29Å; S176-R180 VanDerWaalsContact O-CG 3.26Å; S176-R180 WeakPolarHBondContact O-CG 3.5Å; S176-R180 PolarHBondContact O-N 3.28Å; S176-E213 PolarHBondContact OG-OE2 2.69Å
177C70.1Confident78Confident36 Ų3671.2 Ų71.224%0.24340%0.4CS..Hα-helixtrans-59.6-37.5178.260.70000112.7A175 N181 T182A175-C177 VanDerWaalsContact C-N 3.25Å; A175-C177 PolarHBondContact O-N 2.82Å; C177-N181 WeakPolarHBondContact O-CA 3.45Å; C177-N181 VanDerWaalsContact O-CB 3.31Å; C177-N181 WeakPolarHBondContact O-CB 3.5Å; C177-N181 PolarHBondContact O-N 2.73Å; C177-T182 PolarHBondContact O-N 2.79Å
178T80.8Confident78.4Confident33 Ų3365.7 Ų65.720%0.20236%0.364CS..Hα-helixtrans-65.9-43.2174.9-56.20000111A175 S176 T182 P183A175-T178 WeakPolarHBondContact O-CB 3.32Å; A175-T178 PolarHBondContact O-N 3.44Å; S176-T178 VanDerWaalsContact C-N 3.3Å; S176-T178 PolarHBondContact O-N 2.91Å; T178-T182 CarbonylContact O-C 3.54Å; T178-T182 PolarHBondContact O-N 2.89Å; T178-P183 WeakPolarHBondContact O-CA 3.42Å; T178-P183 WeakPolarHBondContact O-CD 3.4Å
179I82Confident79.1Confident4 Ų460.4 Ų60.42%0.02134%0.343CS..Hα-helixtrans-68.6-45.1180-59.6-53.4000111.2Y174 A175 S176 H188 I191 W192 F195 R344Y174-I179 HydrophobicContact CG-CD1 4.36Å; A175-I179 PolarHBondContact O-N 3.18Å; S176-I179 PolarHBondContact O-N 3.38Å; S176-I179 VanDerWaalsContact O-N 3.1Å; I179-H188 HydrophobicContact CD1-CB 3.8Å; I179-I191 HydrophobicContact CD1-CB 4.01Å; I179-I191 HydrophobicContact CD1-CD1 4.19Å; I179-I191 HydrophobicContact CD1-CG2 3.98Å; I179-I191 HydrophobicContact CG1-CG2 4.16Å; I179-I191 HydrophobicContact CG2-CG2 4.21Å; I179-W192 HydrophobicContact CG2-CB 3.84Å; I179-W192 HydrophobicContact CG2-CG 4.5Å; I179-F195 HydrophobicContact CG2-CD2 4.01Å; I179-F195 HydrophobicContact CG2-CE2 4.06Å; I179-R344 PolarHBondContact O-NH2 3Å
180R77.8Confident80.1Confident38 Ų3854.3 Ų54.314%0.14330%0.304CS..Hα-helixtrans-79.8-43.7-173.1-64.7170.867.7169.614.1113S176 D209 S211 P212 E213 R344S176-R180 WeakPolarHBondContact O-CB 3.29Å; S176-R180 VanDerWaalsContact O-CG 3.26Å; S176-R180 WeakPolarHBondContact O-CG 3.5Å; S176-R180 PolarHBondContact O-N 3.28Å; R180-D209 WeakPolarHBondContact CD-O 3.47Å; R180-D209 VanDerWaalsContact CG-O 3.29Å; R180-D209 WeakPolarHBondContact CG-O 3.48Å; R180-D209 IonicContact CZ-OD2 3.18Å; R180-D209 IonicContact NH1-OD2 2.66Å; R180-D209 IonicContact NH2-OD2 2.78Å; R180-D209 PolarHBondContact NH2-OD2 3.04Å; R180-S211 PolarHBondContact NE-O 2.9Å; R180-S211 PolarHBondContact NH2-O 3.39Å; R180-P212 PolarHBondContact NH2-O 3.03Å; R180-E213 IonicContact NH1-OE2 2.97Å; R180-R344 PolarHBondContact O-NH2 3.47Å
181N72.9Confident81.2Confident7 Ų751.4 Ų51.44%0.03728%0.275CS..THydrogen-bonded Turntrans-113.4-36.1-167.4-64.8-21.9000115.3C177 P212 E213 D216 F251C177-N181 WeakPolarHBondContact O-CA 3.45Å; C177-N181 VanDerWaalsContact O-CB 3.31Å; C177-N181 WeakPolarHBondContact O-CB 3.5Å; C177-N181 PolarHBondContact O-N 2.73Å; N181-P212 WeakPolarHBondContact OD1-CA 3.01Å; N181-E213 PolarHBondContact ND2-O 3.34Å; N181-E213 PolarHBondContact OD1-N 3.46Å; N181-D216 WeakPolarHBondContact ND2-CB 3.39Å; N181-D216 PolarHBondContact ND2-OD2 2.91Å; N181-D216 VanDerWaalsContact ND2-OD2 3.11Å; N181-F251 WeakPolarHBondContact O-CB 3.37Å; N181-F251 PolarHBondContact O-N 2.98Å
182T74.5Confident82.2Confident51 Ų5145.4 Ų45.431%0.31325%0.246SC..  trans-139.255.4-168.455.80000114.2C177 T178 S184 T250C177-T182 PolarHBondContact O-N 2.79Å; T178-T182 CarbonylContact O-C 3.54Å; T178-T182 PolarHBondContact O-N 2.89Å; T182-S184 PolarHBondContact O-N 2.85Å; T182-S184 VanDerWaalsContact O-N 3.12Å; T182-T250 HydrophobicContact CG2-CG2 4.02Å
183P81.6Confident83.3Confident7 Ų738.7 Ų38.75%0.04522%0.215CC..  trans-61.8120.5177.327.8-36.2000110.3T178 H188 F348 L350T178-P183 WeakPolarHBondContact O-CA 3.42Å; T178-P183 WeakPolarHBondContact O-CD 3.4Å; P183-H188 HydrophobicContact CB-CB 3.64Å; P183-F348 VanDerWaalsContact CD-CE1 3.43Å; P183-F348 VanDerWaalsContact CD-CZ 3.45Å; P183-F348 HydrophobicContact CG-CB 4.3Å; P183-F348 HydrophobicContact CG-CD1 3.71Å; P183-F348 HydrophobicContact CG-CD2 3.42Å; P183-F348 VanDerWaalsContact CG-CD2 3.42Å; P183-F348 HydrophobicContact CG-CE1 3.69Å; P183-F348 HydrophobicContact CG-CE2 3.42Å; P183-F348 VanDerWaalsContact CG-CE2 3.42Å; P183-F348 HydrophobicContact CG-CG 3.55Å; P183-F348 HydrophobicContact CG-CZ 3.51Å; P183-L350 HydrophobicContact CB-CD1 4.39Å
184S83.5Confident84.2Confident72 Ų7232.5 Ų32.550%0.50319%0.185SC..  trans-105.7-5.5178.257.20000115.1T182 H188 L350T182-S184 PolarHBondContact O-N 2.85Å; T182-S184 VanDerWaalsContact O-N 3.12Å; S184-H188 PolarHBondContact N-ND1 3.25Å; S184-H188 VanDerWaalsContact N-ND1 3.11Å; S184-H188 PolarHBondContact OG-CE1 3.46Å; S184-L350 WeakPolarHBondContact O-CD2 3.37Å
185Q89.7Confident84.6Confident99 Ų9931.8 Ų31.846%0.46318%0.183SC..SBendtrans-141.7149.4-179.5-63.1-175.616.800109.9I187 H188Q185-I187 HydrophobicContact CB-CG2 3.93Å; Q185-I187 PolarHBondContact O-N 3.27Å; Q185-I187 VanDerWaalsContact O-N 3.13Å; Q185-H188 PolarHBondContact N-ND1 3.41Å; Q185-H188 WeakPolarHBondContact O-CB 3.25Å; Q185-H188 PolarHBondContact O-N 3.49Å
186P90.9Very high85Confident26 Ų2629.9 Ų29.917%0.16917%0.165CC..Hα-helixtrans-53.7-33.5178.6-29.336.1000114.2H188 C189 I190 L353P186-H188 PolarHBondContact O-N 3.37Å; P186-C189 WeakPolarHBondContact O-CA 3.48Å; P186-C189 WeakPolarHBondContact O-CB 3.43Å; P186-C189 PolarHBondContact O-N 3.06Å; P186-I190 WeakPolarHBondContact O-CG1 3.12Å; P186-I190 PolarHBondContact O-N 3.48Å; P186-L353 HydrophobicContact CB-CD1 3.57Å; P186-L353 HydrophobicContact CB-CG 4.1Å; P186-L353 HydrophobicContact CG-CD1 4.23Å; P186-L353 HydrophobicContact CG-CG 4.4Å
187I91.9Very high85.8Confident32 Ų3227.1 Ų27.116%0.16415%0.146CC..Hα-helixtrans-59.7-32.4176.8-170.461.3000113.1Y174 Q185 C189 I190 I191 L361Y174-I187 HydrophobicContact CE1-CG2 4.15Å; Y174-I187 HydrophobicContact CE2-CG1 4.17Å; Y174-I187 WeakPolarHBondContact OH-CG2 3.28Å; Q185-I187 HydrophobicContact CB-CG2 3.93Å; Q185-I187 PolarHBondContact O-N 3.27Å; Q185-I187 VanDerWaalsContact O-N 3.13Å; I187-C189 VanDerWaalsContact C-N 3.31Å; I187-C189 PolarHBondContact O-N 2.93Å; I187-I190 HydrophobicContact CD1-CB 4.34Å; I187-I190 HydrophobicContact CD1-CD1 4.3Å; I187-I190 PolarHBondContact O-N 2.9Å; I187-I191 HydrophobicContact CG1-CD1 4.32Å; I187-I191 WeakPolarHBondContact O-CG1 2.91Å; I187-I191 PolarHBondContact O-N 3.33Å; I187-L361 HydrophobicContact CD1-CB 4.21Å
188H89.5Confident86.5Confident8 Ų827.1 Ų27.14%0.03714%0.143CC..Hα-helixtrans-66.4-36.2174.7-53.7152.8000111.3Y174 I179 P183 S184 Q185 P186 W192Y174-H188 AromaticContact CD1-CD2 3.33Å; Y174-H188 WeakPolarHBondContact CD1-CD2 3.43Å; Y174-H188 AromaticContact CD1-NE2 3.12Å; Y174-H188 WeakPolarHBondContact CD1-NE2 3.33Å; Y174-H188 AromaticContact CE1-CD2 3.53Å; Y174-H188 AromaticContact CE1-NE2 3.21Å; Y174-H188 WeakPolarHBondContact CE1-NE2 3.39Å; Y174-H188 AromaticContact CG-CD2 3.86Å; I179-H188 HydrophobicContact CD1-CB 3.8Å; P183-H188 HydrophobicContact CB-CB 3.64Å; S184-H188 PolarHBondContact N-ND1 3.25Å; S184-H188 VanDerWaalsContact N-ND1 3.11Å; S184-H188 PolarHBondContact OG-CE1 3.46Å; Q185-H188 PolarHBondContact N-ND1 3.41Å; Q185-H188 WeakPolarHBondContact O-CB 3.25Å; Q185-H188 PolarHBondContact O-N 3.49Å; P186-H188 PolarHBondContact O-N 3.37Å; H188-W192 WeakPolarHBondContact O-CB 3.43Å; H188-W192 PolarHBondContact O-N 3.01Å
189C92Very high86.4Confident0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-70.4-34.1174.5-61.30000112.2P186 I187 S193 T341 R344 S345P186-C189 WeakPolarHBondContact O-CA 3.48Å; P186-C189 WeakPolarHBondContact O-CB 3.43Å; P186-C189 PolarHBondContact O-N 3.06Å; I187-C189 VanDerWaalsContact C-N 3.31Å; I187-C189 PolarHBondContact O-N 2.93Å; C189-S193 WeakPolarHBondContact O-CB 3.33Å; C189-S193 PolarHBondContact O-N 2.85Å; C189-S193 PolarHBondContact O-OG 2.94Å; C189-T341 HydrophobicContact CB-CG2 3.93Å; C189-R344 HydrophobicContact CB-CB 4.2Å; C189-R344 HydrophobicContact CB-CG 4.29Å; C189-S345 PolarHBondContact SG-OG 3Å
190I94.4Very high86.3Confident1 Ų132.6 Ų32.61%0.00517%0.168CC..Hα-helixtrans-63.9-49.2174.2-65.5174.7000110.3P186 I187 W192 S193 K194 I337 T341 I358 L361 A362P186-I190 WeakPolarHBondContact O-CG1 3.12Å; P186-I190 PolarHBondContact O-N 3.48Å; I187-I190 HydrophobicContact CD1-CB 4.34Å; I187-I190 HydrophobicContact CD1-CD1 4.3Å; I187-I190 PolarHBondContact O-N 2.9Å; I190-W192 PolarHBondContact O-N 2.64Å; I190-S193 PolarHBondContact O-N 2.98Å; I190-S193 VanDerWaalsContact O-N 3.12Å; I190-K194 PolarHBondContact O-N 3.16Å; I190-I337 HydrophobicContact CG2-CG2 4.4Å; I190-T341 WeakPolarHBondContact CA-OG1 3.34Å; I190-T341 HydrophobicContact CB-CG2 4.48Å; I190-T341 HydrophobicContact CD1-CG2 4.49Å; I190-T341 HydrophobicContact CG1-CG2 3.47Å; I190-T341 VanDerWaalsContact CG1-CG2 3.47Å; I190-I358 HydrophobicContact CD1-CG1 4.3Å; I190-I358 HydrophobicContact CD1-CG2 4.28Å; I190-I358 HydrophobicContact CG1-CG2 4.18Å; I190-L361 HydrophobicContact CD1-CB 3.51Å; I190-L361 HydrophobicContact CD1-CD1 3.64Å; I190-L361 HydrophobicContact CD1-CG 4.24Å; I190-A362 HydrophobicContact CG2-CB 3.67Å
191I90.6Very high86.5Confident36 Ų3631.3 Ų31.319%0.18516%0.164CC..Hα-helixtrans-60.8-46.1177.8-67167.5000110.6Y174 I179 I187 S193 K194 F195Y174-I191 HydrophobicContact CD2-CD1 3.16Å; Y174-I191 HydrophobicContact CE2-CD1 3.41Å; Y174-I191 VanDerWaalsContact CE2-CD1 3.41Å; Y174-I191 HydrophobicContact CG-CD1 4.12Å; I179-I191 HydrophobicContact CD1-CB 4.01Å; I179-I191 HydrophobicContact CD1-CD1 4.19Å; I179-I191 HydrophobicContact CD1-CG2 3.98Å; I179-I191 HydrophobicContact CG1-CG2 4.16Å; I179-I191 HydrophobicContact CG2-CG2 4.21Å; I187-I191 HydrophobicContact CG1-CD1 4.32Å; I187-I191 WeakPolarHBondContact O-CG1 2.91Å; I187-I191 PolarHBondContact O-N 3.33Å; I191-S193 PolarHBondContact O-N 2.89Å; I191-K194 PolarHBondContact O-N 3.3Å; I191-K194 VanDerWaalsContact O-N 3.09Å; I191-F195 HydrophobicContact CG2-CD1 4.33Å; I191-F195 HydrophobicContact CG2-CD2 4.22Å; I191-F195 HydrophobicContact CG2-CE1 3.87Å; I191-F195 HydrophobicContact CG2-CE2 3.75Å; I191-F195 HydrophobicContact CG2-CG 4.49Å; I191-F195 HydrophobicContact CG2-CZ 3.56Å; I191-F195 WeakPolarHBondContact O-CG 3.46Å; I191-F195 PolarHBondContact O-N 2.83Å
192W90.5Very high86.7Confident10 Ų1031.9 Ų31.94%0.03817%0.171CC..Hα-helixtrans-57.2-38.3174.8-177.289.2000112.6I179 H188 I190 F195 L196 V210 F340 R344I179-W192 HydrophobicContact CG2-CB 3.84Å; I179-W192 HydrophobicContact CG2-CG 4.5Å; H188-W192 WeakPolarHBondContact O-CB 3.43Å; H188-W192 PolarHBondContact O-N 3.01Å; I190-W192 PolarHBondContact O-N 2.64Å; W192-F195 PolarHBondContact O-N 2.85Å; W192-L196 HydrophobicContact CH2-CD1 4.46Å; W192-L196 HydrophobicContact CH2-CD2 3.75Å; W192-L196 HydrophobicContact CH2-CG 4.49Å; W192-L196 HydrophobicContact CZ3-CB 4.39Å; W192-L196 HydrophobicContact CZ3-CD2 3.71Å; W192-L196 WeakPolarHBondContact O-CB 3.38Å; W192-L196 PolarHBondContact O-N 3.05Å; W192-V210 HydrophobicContact CZ2-CB 4.15Å; W192-V210 PolarHBondContact NE1-O 3.39Å; W192-V210 VanDerWaalsContact NE1-O 3.13Å; W192-F340 HydrophobicContact CZ3-CB 4.33Å; W192-F340 HydrophobicContact CZ3-CD1 4.26Å; W192-R344 VanDerWaalsContact CG-CZ 3.41Å; W192-R344 VanDerWaalsContact CG-NE 3.28Å; W192-R344 VanDerWaalsContact NE1-CZ 3.3Å
193S92.6Very high86.5Confident0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-70.7-33.3178.4-56.30000112.1C189 I190 I191 L196 F197 I337 T341C189-S193 WeakPolarHBondContact O-CB 3.33Å; C189-S193 PolarHBondContact O-N 2.85Å; C189-S193 PolarHBondContact O-OG 2.94Å; I190-S193 PolarHBondContact O-N 2.98Å; I190-S193 VanDerWaalsContact O-N 3.12Å; I191-S193 PolarHBondContact O-N 2.89Å; S193-L196 PolarHBondContact O-N 2.79Å; S193-F197 PolarHBondContact O-N 3.02Å; S193-I337 VanDerWaalsContact O-CD1 3.26Å; S193-I337 WeakPolarHBondContact O-CD1 3.44Å; S193-T341 VanDerWaalsContact OG-CA 3.32Å; S193-T341 WeakPolarHBondContact OG-CA 3.46Å; S193-T341 PolarHBondContact OG-N 3.06Å; S193-T341 PolarHBondContact OG-OG1 2.73Å; S193-T341 VanDerWaalsContact OG-OG1 3.1Å
194K91.2Very high85.6Confident52 Ų5239.9 Ų39.923%0.22622%0.224CC..Hα-helixtrans-67-44.2172.8-68.9-175.269.9167.90111.6I190 I191 L196 F197 N198 I337 A362I190-K194 PolarHBondContact O-N 3.16Å; I191-K194 PolarHBondContact O-N 3.3Å; I191-K194 VanDerWaalsContact O-N 3.09Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 2.83Å; K194-F197 WeakPolarHBondContact O-CB 3.42Å; K194-F197 PolarHBondContact O-N 3.47Å; K194-F197 VanDerWaalsContact O-N 3.13Å; K194-N198 PolarHBondContact O-N 3.32Å; K194-I337 HydrophobicContact CB-CD1 4.31Å; K194-I337 HydrophobicContact CG-CD1 3.8Å; K194-A362 PolarHBondContact NZ-O 3.21Å; K194-A362 VanDerWaalsContact NZ-O 3.17Å
195F87.8Confident84.9Confident40 Ų4040.4 Ų40.418%0.17522%0.221CC..Hα-helixtrans-58.7-42.7172.8-72.51.1000111.4I179 I191 W192 F197 N198 Q199 E208 V210I179-F195 HydrophobicContact CG2-CD2 4.01Å; I179-F195 HydrophobicContact CG2-CE2 4.06Å; I191-F195 HydrophobicContact CG2-CD1 4.33Å; I191-F195 HydrophobicContact CG2-CD2 4.22Å; I191-F195 HydrophobicContact CG2-CE1 3.87Å; I191-F195 HydrophobicContact CG2-CE2 3.75Å; I191-F195 HydrophobicContact CG2-CG 4.49Å; I191-F195 HydrophobicContact CG2-CZ 3.56Å; I191-F195 WeakPolarHBondContact O-CG 3.46Å; I191-F195 PolarHBondContact O-N 2.83Å; W192-F195 PolarHBondContact O-N 2.85Å; F195-F197 VanDerWaalsContact C-N 3.34Å; F195-F197 PolarHBondContact O-N 2.81Å; F195-N198 PolarHBondContact O-N 3.49Å; F195-Q199 VanDerWaalsContact O-CB 3.31Å; F195-Q199 WeakPolarHBondContact O-CB 3.44Å; F195-Q199 PolarHBondContact O-N 3.12Å; F195-E208 HydrophobicContact CB-CB 4.07Å; F195-E208 VanDerWaalsContact CB-O 3.31Å; F195-E208 WeakPolarHBondContact CB-O 3.17Å; F195-E208 HydrophobicContact CD1-CB 3.61Å; F195-E208 VanDerWaalsContact CD1-CD 3.47Å; F195-E208 HydrophobicContact CD1-CG 3.56Å; F195-E208 HydrophobicContact CD2-CB 4.13Å; F195-E208 HydrophobicContact CE1-CB 4.03Å; F195-E208 HydrophobicContact CE1-CG 3.53Å; F195-E208 WeakPolarHBondContact CE1-OE1 3.46Å; F195-E208 HydrophobicContact CE2-CB 4.5Å; F195-E208 HydrophobicContact CG-CB 3.68Å; F195-E208 HydrophobicContact CG-CG 4.15Å; F195-E208 HydrophobicContact CZ-CB 4.45Å; F195-E208 HydrophobicContact CZ-CG 4.08Å; F195-V210 HydrophobicContact CB-CG1 3.66Å
196L88.6Confident84Confident16 Ų1643.3 Ų43.38%0.08424%0.239CC..Hα-helixtrans-62-40.9174.5-175.268.9000112W192 S193 K194 L200 V210 F336 F340W192-L196 HydrophobicContact CH2-CD1 4.46Å; W192-L196 HydrophobicContact CH2-CD2 3.75Å; W192-L196 HydrophobicContact CH2-CG 4.49Å; W192-L196 HydrophobicContact CZ3-CB 4.39Å; W192-L196 HydrophobicContact CZ3-CD2 3.71Å; W192-L196 WeakPolarHBondContact O-CB 3.38Å; W192-L196 PolarHBondContact O-N 3.05Å; S193-L196 PolarHBondContact O-N 2.79Å; K194-L196 VanDerWaalsContact C-N 3.3Å; K194-L196 PolarHBondContact O-N 2.83Å; L196-L200 HydrophobicContact CD1-CD1 3.98Å; L196-L200 HydrophobicContact CD1-CG 4.16Å; L196-L200 HydrophobicContact CD2-CD1 4.47Å; L196-L200 HydrophobicContact CG-CD1 3.9Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CB 3.4Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.26Å; L196-L200 PolarHBondContact O-N 3Å; L196-V210 HydrophobicContact CB-CG1 4.01Å; L196-V210 HydrophobicContact CD1-CG1 4.49Å; L196-V210 HydrophobicContact CD1-CG2 3.97Å; L196-V210 VanDerWaalsContact N-CG1 3.34Å; L196-F336 HydrophobicContact CB-CZ 4.42Å; L196-F336 HydrophobicContact CD2-CE1 4.43Å; L196-F336 HydrophobicContact CD2-CZ 3.84Å; L196-F336 HydrophobicContact CG-CE1 4.49Å; L196-F336 HydrophobicContact CG-CZ 3.92Å; L196-F340 HydrophobicContact CD2-CB 4.31Å; L196-F340 HydrophobicContact CD2-CD1 3.43Å; L196-F340 VanDerWaalsContact CD2-CD1 3.43Å; L196-F340 HydrophobicContact CD2-CD2 4.2Å; L196-F340 HydrophobicContact CD2-CE1 3.69Å; L196-F340 HydrophobicContact CD2-CE2 4.43Å; L196-F340 HydrophobicContact CD2-CG 3.71Å; L196-F340 HydrophobicContact CD2-CZ 4.19Å
197F89.7Confident83.2Confident1 Ų146.1 Ų46.10%0.00426%0.26CS..Hα-helixtrans-60-50.6176.3-177.6-81.9000110.9S193 K194 F195 Q199 L200 F201 L311 L324 W326 A333 F336 I337S193-F197 PolarHBondContact O-N 3.02Å; K194-F197 WeakPolarHBondContact O-CB 3.42Å; K194-F197 PolarHBondContact O-N 3.47Å; K194-F197 VanDerWaalsContact O-N 3.13Å; F195-F197 VanDerWaalsContact C-N 3.34Å; F195-F197 PolarHBondContact O-N 2.81Å; F197-Q199 PolarHBondContact O-N 3.04Å; F197-L200 PolarHBondContact O-N 3.25Å; F197-F201 HydrophobicContact CD2-CD2 4.14Å; F197-F201 HydrophobicContact CE2-CD2 4.29Å; F197-F201 HydrophobicContact CG-CD2 4.48Å; F197-F201 PolarHBondContact O-N 3.23Å; F197-L311 HydrophobicContact CD2-CD1 4.15Å; F197-L311 HydrophobicContact CE2-CD1 3.7Å; F197-L311 HydrophobicContact CE2-CD2 3.93Å; F197-L311 HydrophobicContact CE2-CG 4.47Å; F197-L311 HydrophobicContact CZ-CD2 4.33Å; F197-L324 HydrophobicContact CE1-CB 4.37Å; F197-L324 HydrophobicContact CZ-CB 4.22Å; F197-W326 HydrophobicContact CD1-CB 3.84Å; F197-W326 HydrophobicContact CE1-CB 3.83Å; F197-W326 HydrophobicContact CZ-CB 4.48Å; F197-A333 HydrophobicContact CE2-CB 3.83Å; F197-A333 HydrophobicContact CZ-CB 4.24Å; F197-F336 HydrophobicContact CB-CD1 3.97Å; F197-F336 HydrophobicContact CB-CE1 3.57Å; F197-F336 HydrophobicContact CB-CZ 4.36Å; F197-F336 AromaticContact CD2-CD1 3.68Å; F197-F336 HydrophobicContact CD2-CD1 3.68Å; F197-F336 HydrophobicContact CD2-CE1 4.03Å; F197-F336 HydrophobicContact CD2-CG 4.13Å; F197-F336 HydrophobicContact CG-CD1 4.33Å; F197-F336 HydrophobicContact CG-CE1 4.3Å; F197-I337 HydrophobicContact CB-CD1 4.15Å
198N83.1Confident82.4Confident36 Ų3646.5 Ų46.519%0.19326%0.261CS..Hα-helixtrans-64.1-40.5-179.3-73.5-12.4000111.7K194 F195 L200 G202 E208K194-N198 PolarHBondContact O-N 3.32Å; F195-N198 PolarHBondContact O-N 3.49Å; N198-L200 VanDerWaalsContact C-N 3.33Å; N198-L200 PolarHBondContact O-N 3.14Å; N198-G202 CarbonylContact O-C 3.6Å; N198-G202 WeakPolarHBondContact O-CA 3.39Å; N198-G202 PolarHBondContact O-N 3.49Å; N198-E208 WeakPolarHBondContact CB-OE2 3.16Å; N198-E208 PolarHBondContact ND2-OE2 2.75Å
199Q79Confident81.8Confident88 Ų8848.3 Ų48.341%0.41127%0.271SS..Hα-helixtrans-66.8-31.1177.2-172.7173.6-20.400113.3F195 F197F195-Q199 VanDerWaalsContact O-CB 3.31Å; F195-Q199 WeakPolarHBondContact O-CB 3.44Å; F195-Q199 PolarHBondContact O-N 3.12Å; F197-Q199 PolarHBondContact O-N 3.04Å
200L80.9Confident81Confident64 Ų6448.9 Ų48.934%0.33527%0.274SS..Hα-helixtrans-88.9-35.6-179.2-70.4179.2000113.9L196 F197 N198 L308 F336L196-L200 HydrophobicContact CD1-CD1 3.98Å; L196-L200 HydrophobicContact CD1-CG 4.16Å; L196-L200 HydrophobicContact CD2-CD1 4.47Å; L196-L200 HydrophobicContact CG-CD1 3.9Å; L196-L200 HydrophobicContact CG-CG 4.37Å; L196-L200 WeakPolarHBondContact O-CB 3.4Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.26Å; L196-L200 PolarHBondContact O-N 3Å; F197-L200 PolarHBondContact O-N 3.25Å; N198-L200 VanDerWaalsContact C-N 3.33Å; N198-L200 PolarHBondContact O-N 3.14Å; L200-L308 HydrophobicContact CD1-CD2 4.02Å; L200-F336 HydrophobicContact CD1-CE2 4.16Å; L200-F336 HydrophobicContact CD1-CZ 4.04Å
201F82.5Confident80Confident12 Ų1250.5 Ų50.55%0.05329%0.286CS..Hα-helixtrans-130.5-19.2-169.8-54.2-68.7000114F197 L308 L311 K312 L315 C323 L324 F336F197-F201 HydrophobicContact CD2-CD2 4.14Å; F197-F201 HydrophobicContact CE2-CD2 4.29Å; F197-F201 HydrophobicContact CG-CD2 4.48Å; F197-F201 PolarHBondContact O-N 3.23Å; F201-L308 HydrophobicContact CE2-CD2 4.14Å; F201-L308 HydrophobicContact CZ-CD2 3.77Å; F201-L311 HydrophobicContact CD1-CB 4.06Å; F201-L311 HydrophobicContact CD2-CB 4.25Å; F201-L311 HydrophobicContact CD2-CD1 4.02Å; F201-L311 HydrophobicContact CE1-CB 3.69Å; F201-L311 HydrophobicContact CE2-CB 3.89Å; F201-L311 HydrophobicContact CE2-CD1 3.63Å; F201-L311 HydrophobicContact CE2-CG 4.4Å; F201-L311 HydrophobicContact CG-CB 4.33Å; F201-L311 HydrophobicContact CZ-CB 3.6Å; F201-L311 HydrophobicContact CZ-CD1 4.13Å; F201-K312 HydrophobicContact CE1-CB 4.48Å; F201-L315 HydrophobicContact CD1-CD2 4.26Å; F201-C323 CarbonylContact O-C 3.51Å; F201-C323 WeakPolarHBondContact O-CA 3.13Å; F201-L324 HydrophobicContact CB-CB 4.03Å; F201-L324 HydrophobicContact CB-CD1 4.05Å; F201-L324 HydrophobicContact CB-CG 4.25Å; F201-L324 HydrophobicContact CD1-CD1 4.42Å; F201-L324 HydrophobicContact CG-CD1 4.34Å; F201-L324 PolarHBondContact O-N 3.25Å; F201-F336 HydrophobicContact CE2-CD2 4.17Å; F201-F336 AromaticContact CE2-CE2 3.79Å; F201-F336 HydrophobicContact CE2-CE2 3.79Å; F201-F336 HydrophobicContact CE2-CZ 4.33Å
202G76Confident79.1Confident19 Ų1950.4 Ų50.420%0.19629%0.287CS..SBendtrans-95.8-164.7-177.100000113.3N198 L324N198-G202 CarbonylContact O-C 3.6Å; N198-G202 WeakPolarHBondContact O-CA 3.39Å; N198-G202 PolarHBondContact O-N 3.49Å; G202-L324 VanDerWaalsContact CA-O 3.31Å; G202-L324 WeakPolarHBondContact CA-O 3.3Å
203L70.6Confident77.9Confident135 Ų13552.1 Ų52.171%0.70730%0.296SS*.  trans-76.7128.4168.7-66.7170.6000108.6D205 C323L203-D205 PolarHBondContact O-N 3.34Å; L203-C323 HydrophobicContact CD2-CB 4.22Å; L203-C323 HydrophobicContact CG-CB 4.19Å
204A63.7Low76.2Confident91 Ų9159.8 Ų59.875%0.75233%0.332SS*.  trans-65.3126.7176.700000110.7
205D68.9Low74.4Confident82 Ų8262.9 Ų62.944%0.43936%0.355SS..  trans-123.1120.4172.3-176.4-20.3000108.3L203 S207 E208L203-D205 PolarHBondContact O-N 3.34Å; D205-S207 PolarHBondContact O-N 3.47Å; D205-S207 VanDerWaalsContact O-N 3.15Å; D205-S207 VanDerWaalsContact OD1-CB 3.31Å; D205-S207 WeakPolarHBondContact OD1-CB 3.4Å; D205-S207 PolarHBondContact OD1-N 3.24Å; D205-S207 PolarHBondContact OD1-OG 2.96Å; D205-S207 PolarHBondContact OD2-OG 2.94Å; D205-E208 HydrophobicContact CB-CB 4.3Å; D205-E208 HydrophobicContact CB-CG 4.04Å; D205-E208 PolarHBondContact O-N 2.73Å
206D70.8Confident72.7Confident160 Ų16062 Ų6286%0.85635%0.352SS*.G310 helixtrans-59.8-24.7-179.5-70.1-21.5000112.5E208D206-E208 VanDerWaalsContact C-N 3.26Å; D206-E208 PolarHBondContact O-N 2.74Å
207S72.2Confident70.7Confident85 Ų8565.4 Ų65.459%0.59438%0.382SS*.G310 helixtrans-75.3-15.2176.474.20000113.5D205D205-S207 PolarHBondContact O-N 3.47Å; D205-S207 VanDerWaalsContact O-N 3.15Å; D205-S207 VanDerWaalsContact OD1-CB 3.31Å; D205-S207 WeakPolarHBondContact OD1-CB 3.4Å; D205-S207 PolarHBondContact OD1-N 3.24Å; D205-S207 PolarHBondContact OD1-OG 2.96Å; D205-S207 PolarHBondContact OD2-OG 2.94Å
208E76.9Confident68.7Low41 Ų4170.6 Ų70.619%0.19241%0.414CS..G310 helixtrans-105.122.2-179.8-58.2-163.2155.700112.6F195 N198 D205 D206 V210F195-E208 HydrophobicContact CB-CB 4.07Å; F195-E208 VanDerWaalsContact CB-O 3.31Å; F195-E208 WeakPolarHBondContact CB-O 3.17Å; F195-E208 HydrophobicContact CD1-CB 3.61Å; F195-E208 VanDerWaalsContact CD1-CD 3.47Å; F195-E208 HydrophobicContact CD1-CG 3.56Å; F195-E208 HydrophobicContact CD2-CB 4.13Å; F195-E208 HydrophobicContact CE1-CB 4.03Å; F195-E208 HydrophobicContact CE1-CG 3.53Å; F195-E208 WeakPolarHBondContact CE1-OE1 3.46Å; F195-E208 HydrophobicContact CE2-CB 4.5Å; F195-E208 HydrophobicContact CG-CB 3.68Å; F195-E208 HydrophobicContact CG-CG 4.15Å; F195-E208 HydrophobicContact CZ-CB 4.45Å; F195-E208 HydrophobicContact CZ-CG 4.08Å; N198-E208 WeakPolarHBondContact CB-OE2 3.16Å; N198-E208 PolarHBondContact ND2-OE2 2.75Å; D205-E208 HydrophobicContact CB-CB 4.3Å; D205-E208 HydrophobicContact CB-CG 4.04Å; D205-E208 PolarHBondContact O-N 2.73Å; D206-E208 VanDerWaalsContact C-N 3.26Å; D206-E208 PolarHBondContact O-N 2.74Å; E208-V210 PolarHBondContact O-N 3.2Å
209D75.3Confident66.8Low45 Ų4570.7 Ų70.724%0.24142%0.42CS..  trans-64128178.4-179.115.4000112.1R180 S211R180-D209 WeakPolarHBondContact CD-O 3.47Å; R180-D209 VanDerWaalsContact CG-O 3.29Å; R180-D209 WeakPolarHBondContact CG-O 3.48Å; R180-D209 IonicContact CZ-OD2 3.18Å; R180-D209 IonicContact NH1-OD2 2.66Å; R180-D209 IonicContact NH2-OD2 2.78Å; R180-D209 PolarHBondContact NH2-OD2 3.04Å; D209-S211 WeakPolarHBondContact OD1-CB 3.39Å; D209-S211 PolarHBondContact OD1-N 2.86Å; D209-S211 PolarHBondContact OD1-OG 2.68Å
210V76.9Confident64.9Low12 Ų1270.3 Ų70.37%0.07343%0.432CS..  trans-89.7-11.9179.6-59.50000114.3W192 F195 L196 E208W192-V210 HydrophobicContact CZ2-CB 4.15Å; W192-V210 PolarHBondContact NE1-O 3.39Å; W192-V210 VanDerWaalsContact NE1-O 3.13Å; F195-V210 HydrophobicContact CB-CG1 3.66Å; L196-V210 HydrophobicContact CB-CG1 4.01Å; L196-V210 HydrophobicContact CD1-CG1 4.49Å; L196-V210 HydrophobicContact CD1-CG2 3.97Å; L196-V210 VanDerWaalsContact N-CG1 3.34Å; E208-V210 PolarHBondContact O-N 3.2Å
211S72.6Confident62.7Low36 Ų3674 Ų7425%0.25245%0.452SS..SBendtrans-66.4151.7-177.3-50.10000110.7R180 D209 E213R180-S211 PolarHBondContact NE-O 2.9Å; R180-S211 PolarHBondContact NH2-O 3.39Å; D209-S211 WeakPolarHBondContact OD1-CB 3.39Å; D209-S211 PolarHBondContact OD1-N 2.86Å; D209-S211 PolarHBondContact OD1-OG 2.68Å; S211-E213 PolarHBondContact O-N 2.82Å
212P71Confident60.2Low33 Ų3379.5 Ų79.521%0.21448%0.482CS..PPolyproline II helixtrans-57.5136.8174.1-22.933.3000112.2R180 N181 F251 Y260R180-P212 PolarHBondContact NH2-O 3.03Å; N181-P212 WeakPolarHBondContact OD1-CA 3.01Å; P212-F251 HydrophobicContact CB-CD1 4.39Å; P212-F251 HydrophobicContact CG-CD1 3.86Å; P212-F251 HydrophobicContact CG-CE1 3.79Å; P212-Y260 HydrophobicContact CG-CD1 4.27Å; P212-Y260 HydrophobicContact CG-CE1 3.71Å
213E65.3Low58.1Low46 Ų4688.4 Ų88.422%0.21551%0.511CS..PPolyproline II helixtrans-84.7121177-162.4174.6158.800109.7S176 R180 N181 S211S176-E213 PolarHBondContact OG-OE2 2.69Å; R180-E213 IonicContact NH1-OE2 2.97Å; N181-E213 PolarHBondContact ND2-O 3.34Å; N181-E213 PolarHBondContact OD1-N 3.46Å; S211-E213 PolarHBondContact O-N 2.82Å
214E57.1Low56.1Low162 Ų16291.5 Ų91.576%0.75752%0.522SS*.THydrogen-bonded Turntrans-73.8-26.4-174.2-65.2-166.5165.700113.8D216 R252E214-D216 PolarHBondContact O-N 3.36Å; E214-R252 PolarHBondContact O-NH1 3.46Å
215T53.7Low54.5Low116 Ų11695.3 Ų95.371%0.71253%0.529SS*.THydrogen-bonded Turntrans-88.49.1-170.741.40000115.1A217T215-A217 PolarHBondContact O-N 3.05Å
216D51.1Low52.7Low23 Ų2397.1 Ų97.112%0.12355%0.548CS..  trans-74.294.3-178.9-160.9-11.8000111.3N181 E214 T218 A219N181-D216 WeakPolarHBondContact ND2-CB 3.39Å; N181-D216 PolarHBondContact ND2-OD2 2.91Å; N181-D216 VanDerWaalsContact ND2-OD2 3.11Å; E214-D216 PolarHBondContact O-N 3.36Å; D216-T218 PolarHBondContact O-N 3.36Å; D216-T218 PolarHBondContact OD1-N 3.27Å; D216-T218 PolarHBondContact OD1-OG1 3.4Å; D216-A219 PolarHBondContact O-N 3Å
217A47.1Very low50.9Low86 Ų8698.3 Ų98.371%0.71155%0.549SS*.G310 helixtrans-58.9-14.3-179.500000113.8T215 A219T215-A217 PolarHBondContact O-N 3.05Å; A217-A219 PolarHBondContact O-N 3.05Å
218T47.7Very low49Very low110 Ų110103.7 Ų103.768%0.67556%0.564SS**G310 helixtrans-75.6-8.8179.265.60000114D216 A220D216-T218 PolarHBondContact O-N 3.36Å; D216-T218 PolarHBondContact OD1-N 3.27Å; D216-T218 PolarHBondContact OD1-OG1 3.4Å; T218-A220 VanDerWaalsContact C-N 3.34Å; T218-A220 PolarHBondContact O-N 3.45Å
219A44.1Very low46.9Very low39 Ų39106.6 Ų106.632%0.32260%0.595SS.*G310 helixtrans-82.9-3.7179.200000114.6D216 A217D216-A219 PolarHBondContact O-N 3Å; A217-A219 PolarHBondContact O-N 3.05Å
220A37.7Very low44.8Very low80 Ų80111.1 Ų111.166%0.66163%0.625SS**SBendtrans-96.1-11.6-164.300000117.1T218T218-A220 VanDerWaalsContact C-N 3.34Å; T218-A220 PolarHBondContact O-N 3.45Å
221D34.6Very low43Very low140 Ų140117.7 Ų117.775%0.74966%0.659SS**  trans-115.7123.7-168.5-72.6-26.6000115.9
222N30.7Very low41.2Very low128 Ų128121.2 Ų121.268%0.68468%0.684SS**  trans78.7112.8155.6-58.7-29000119.3
223Y32.5Very low39.6Very low206 Ų206121.7 Ų121.781%0.80870%0.695SS**  170.1119.5111.8-93.5-77.4000109.9
224E28.6Very low38.4Very low200 Ų200126 Ų12694%0.93572%0.72SS**PPolyproline II helixtrans-65.1135.9171.4-71175.7149.200111
225L30.7Very low37.5Very low171 Ų171121.6 Ų121.690%0.89571%0.711SS**PPolyproline II helixtrans-98.1116.1175.2-77.3161.2000109.4
226S30.9Very low36.9Very low121 Ų121119.7 Ų119.785%0.84671%0.707SS**PPolyproline II helixtrans-81.9122.4164.757.60000109.9
227E31.7Very low36.6Very low185 Ų185123.6 Ų123.686%0.86473%0.728SS**PPolyproline II helixtrans-78.8128.3172.2-66.5-177.5151.700110.3
228E31.9Very low36.5Very low198 Ų198123.9 Ų123.993%0.92572%0.717SS**  trans169.5119.2141.7-96.3172.3-163.400110.9
229A34.1Very low36.1Very low101 Ų101125.3 Ų125.384%0.83571%0.714SS**  164.9111.3129.600000111
230T31.8Very low35.9Very low141 Ų141129 Ų12987%0.86573%0.726SS**  trans-62.8138.8162.448.20000111.6
231D37.1Very low36.2Very low149 Ų149131.7 Ų131.780%0.79773%0.725SS**  173.7149.3114.9-151.5-8.4000111.8
232S35.1Very low36.5Very low110 Ų110131.7 Ų131.777%0.76972%0.72SS**  trans-21.2117.2174.249.80000120.1
233G37.7Very low36.9Very low44 Ų44131.9 Ų131.945%0.45471%0.711SS.*SBendtrans172.6135164.200000108.9A235G233-A235 WeakPolarHBondContact O-CA 3.47Å; G233-A235 PolarHBondContact O-N 2.9Å
234N41Very low37.3Very low136 Ų136126.2 Ų126.273%0.72770%0.698SS**  trans-22.799.8-169.3-83.9-9.5000114.6A236 D237 L238N234-A236 PolarHBondContact O-N 2.99Å; N234-D237 PolarHBondContact O-N 3.33Å; N234-L238 PolarHBondContact O-N 3.28Å
235A38.7Very low37.9Very low70 Ų70120.9 Ų120.958%0.57968%0.683SS**THydrogen-bonded Turntrans-65.9-10.3-162.500000115.3G233 K239G233-A235 WeakPolarHBondContact O-CA 3.47Å; G233-A235 PolarHBondContact O-N 2.9Å; A235-K239 VanDerWaalsContact O-CB 3.23Å; A235-K239 WeakPolarHBondContact O-CB 3.24Å; A235-K239 VanDerWaalsContact O-CD 3.29Å; A235-K239 WeakPolarHBondContact O-CD 3.18Å; A235-K239 WeakPolarHBondContact O-CG 3.49Å
236A40.4Very low38.1Very low76 Ų76120.5 Ų120.563%0.62867%0.674SS**THydrogen-bonded Turntrans-86.6-42.6176.900000112.2N234 M240N234-A236 PolarHBondContact O-N 2.99Å; A236-M240 WeakPolarHBondContact O-CB 3.31Å; A236-M240 PolarHBondContact O-N 2.79Å; A236-M240 VanDerWaalsContact O-N 3.09Å
237D44.9Very low38.6Very low105 Ų105121.1 Ų121.156%0.56167%0.667SS**Hα-helixtrans-81.3-38.3-174.1-73.4-31.3000112.5N234 M240 Q241N234-D237 PolarHBondContact O-N 3.33Å; D237-M240 PolarHBondContact O-N 2.88Å; D237-Q241 WeakPolarHBondContact O-CB 3.38Å; D237-Q241 WeakPolarHBondContact O-CG 3.09Å; D237-Q241 PolarHBondContact O-N 2.79Å
238L44.4Very low39.1Very low91 Ų91124.2 Ų124.248%0.47667%0.671SS.*Hα-helixtrans-71.6-33.4174-103.2115000112.4N234 Q241 Q242N234-L238 PolarHBondContact O-N 3.28Å; L238-Q241 PolarHBondContact O-N 3.05Å; L238-Q242 WeakPolarHBondContact O-CB 3.32Å; L238-Q242 WeakPolarHBondContact O-CG 3.34Å; L238-Q242 PolarHBondContact O-N 2.76Å
239K40.3Very low39.9Very low140 Ų140117.8 Ų117.861%0.60964%0.641SS**Hα-helixtrans-66.8-41172.8-80.3-173.6179.8-178.80111.3A235 W243A235-K239 VanDerWaalsContact O-CB 3.23Å; A235-K239 WeakPolarHBondContact O-CB 3.24Å; A235-K239 VanDerWaalsContact O-CD 3.29Å; A235-K239 WeakPolarHBondContact O-CD 3.18Å; A235-K239 WeakPolarHBondContact O-CG 3.49Å; K239-W243 WeakPolarHBondContact O-CB 3.4Å; K239-W243 PolarHBondContact O-N 2.95Å
240M40.2Very low40.6Very low118 Ų118114.5 Ų114.558%0.58161%0.611SS**Hα-helixtrans-67.9-36.7176.2-169.16678.600112.2A236 D237 W243 T244A236-M240 WeakPolarHBondContact O-CB 3.31Å; A236-M240 PolarHBondContact O-N 2.79Å; A236-M240 VanDerWaalsContact O-N 3.09Å; D237-M240 PolarHBondContact O-N 2.88Å; M240-W243 WeakPolarHBondContact O-CB 3.39Å; M240-W243 PolarHBondContact O-N 3.15Å; M240-T244 WeakPolarHBondContact O-CB 3.31Å; M240-T244 WeakPolarHBondContact O-CG2 3.31Å; M240-T244 PolarHBondContact O-N 2.85Å; M240-T244 PolarHBondContact O-OG1 3.16Å
241Q43.8Very low41.4Very low136 Ų136108.3 Ų108.364%0.63657%0.572SS**Hα-helixtrans-75.9-34.9177.3-74.8-179.3-600113.4D237 L238 T244D237-Q241 WeakPolarHBondContact O-CB 3.38Å; D237-Q241 WeakPolarHBondContact O-CG 3.09Å; D237-Q241 PolarHBondContact O-N 2.79Å; L238-Q241 PolarHBondContact O-N 3.05Å; Q241-T244 WeakPolarHBondContact CA-OG1 3.22Å; Q241-T244 PolarHBondContact O-OG1 2.71Å
242Q40Very low41.8Very low139 Ų139106.6 Ų106.665%0.6555%0.554SS**Hα-helixtrans-69.1-35.7168.4-76.8-179.1-10.800111.5L238 S245L238-Q242 WeakPolarHBondContact O-CB 3.32Å; L238-Q242 WeakPolarHBondContact O-CG 3.34Å; L238-Q242 PolarHBondContact O-N 2.76Å; Q242-S245 PolarHBondContact O-OG 3.48Å
243W39.8Very low42.5Very low132 Ų132107 Ų10750%0.554%0.542SS..Hα-helixtrans-62.9-36.1175.4-108.964000114.4K239 M240 I257K239-W243 WeakPolarHBondContact O-CB 3.4Å; K239-W243 PolarHBondContact O-N 2.95Å; M240-W243 WeakPolarHBondContact O-CB 3.39Å; M240-W243 PolarHBondContact O-N 3.15Å; W243-I257 HydrophobicContact CH2-CD1 3.78Å; W243-I257 HydrophobicContact CH2-CG2 4.17Å; W243-I257 HydrophobicContact CZ2-CD1 4.28Å
244T40.5Very low43.2Very low87 Ų87109.1 Ų109.153%0.53454%0.537SS..Hα-helixtrans-84.5-14.7-171.341.90000113.7M240 Q241M240-T244 WeakPolarHBondContact O-CB 3.31Å; M240-T244 WeakPolarHBondContact O-CG2 3.31Å; M240-T244 PolarHBondContact O-N 2.85Å; M240-T244 PolarHBondContact O-OG1 3.16Å; Q241-T244 WeakPolarHBondContact CA-OG1 3.22Å; Q241-T244 PolarHBondContact O-OG1 2.71Å
245S41.8Very low43.7Very low88 Ų88103.3 Ų103.362%0.61551%0.508SS*.SBendtrans-88.4-11.8-173.5710000115.3Q242Q242-S245 PolarHBondContact O-OG 3.48Å
246K35Very low44.5Very low164 Ų164105.2 Ų105.271%0.71351%0.512SS*.SBendtrans-146.6123.8-177.7-68.1-179.5-179.7175.40110.3
247L40.1Very low45.1Very low133 Ų133106.1 Ų106.170%0.69651%0.506SS*.  trans100.5111.2163.9-54.1158.6000116.6Q249L247-Q249 PolarHBondContact O-N 2.82Å
248R42.5Very low45.5Very low250 Ų250102.8 Ų102.894%0.94349%0.489SS*.  trans-52.7106.3152.7-80.7176.3171.5158.4-3108.1
249Q49.7Very low45.9Very low63 Ų63103.7 Ų103.729%0.29450%0.495SS..  trans-88.6137.7173.6-63.7-174.11200109.9L247L247-Q249 PolarHBondContact O-N 2.82Å
250T48.3Very low46.3Very low33 Ų3398.8 Ų98.820%0.20247%0.473CS..  trans-73.9152.3173.356.60000110.4T182 R252 K253 Y254T182-T250 HydrophobicContact CG2-CG2 4.02Å; T250-R252 PolarHBondContact O-N 3.41Å; T250-R252 VanDerWaalsContact O-N 3.08Å; T250-K253 PolarHBondContact O-N 3.26Å; T250-K253 PolarHBondContact OG1-N 2.73Å; T250-Y254 PolarHBondContact O-N 3.46Å
251F47.9Very low46.8Very low10 Ų1095.8 Ų95.84%0.04446%0.459CS..Hα-helixtrans-56.5-27.9173.8-164.7-118.9000111.8N181 P212 Y254 A255 Y260 F348N181-F251 WeakPolarHBondContact O-CB 3.37Å; N181-F251 PolarHBondContact O-N 2.98Å; P212-F251 HydrophobicContact CB-CD1 4.39Å; P212-F251 HydrophobicContact CG-CD1 3.86Å; P212-F251 HydrophobicContact CG-CE1 3.79Å; F251-Y254 AromaticContact CD2-CD1 3.99Å; F251-Y254 HydrophobicContact CD2-CD1 3.99Å; F251-Y254 AromaticContact CE2-CD1 3.92Å; F251-Y254 HydrophobicContact CE2-CD1 3.92Å; F251-Y254 HydrophobicContact CE2-CE1 4.23Å; F251-A255 WeakPolarHBondContact O-CA 3.43Å; F251-A255 WeakPolarHBondContact O-CB 3.21Å; F251-A255 PolarHBondContact O-N 3.22Å; F251-Y260 HydrophobicContact CE1-CD1 4.26Å; F251-Y260 AromaticContact CE1-CE1 3.68Å; F251-Y260 HydrophobicContact CE1-CE1 3.68Å; F251-Y260 AromaticContact CE1-CE2 3.96Å; F251-Y260 HydrophobicContact CE1-CE2 3.96Å; F251-Y260 AromaticContact CE1-CZ 3.52Å; F251-Y260 HydrophobicContact CE2-CE2 4.48Å; F251-Y260 HydrophobicContact CZ-CD2 4.09Å; F251-Y260 HydrophobicContact CZ-CE1 4.1Å; F251-Y260 AromaticContact CZ-CE2 3.48Å; F251-Y260 HydrophobicContact CZ-CE2 3.48Å; F251-Y260 VanDerWaalsContact CZ-CE2 3.48Å; F251-Y260 AromaticContact CZ-CZ 3.5Å; F251-F348 HydrophobicContact CB-CE1 3.81Å; F251-F348 HydrophobicContact CB-CZ 3.61Å; F251-F348 AromaticContact CD2-CE1 3.91Å; F251-F348 HydrophobicContact CD2-CE1 3.91Å; F251-F348 AromaticContact CD2-CE2 3.75Å; F251-F348 HydrophobicContact CD2-CE2 3.75Å; F251-F348 AromaticContact CD2-CZ 3.15Å; F251-F348 HydrophobicContact CD2-CZ 3.15Å; F251-F348 HydrophobicContact CE2-CE2 4.1Å; F251-F348 AromaticContact CE2-CZ 3.95Å; F251-F348 HydrophobicContact CE2-CZ 3.95Å; F251-F348 HydrophobicContact CG-CE1 4.29Å; F251-F348 AromaticContact CG-CZ 3.65Å; F251-F348 HydrophobicContact CG-CZ 3.65Å
252R46.4Very low47Very low114 Ų11492 Ų9243%0.4345%0.446SS..Hα-helixtrans-63.6-47.9172.3-167.3179.4-167.9139.54.1112.3E214 T250 A255 T256E214-R252 PolarHBondContact O-NH1 3.46Å; T250-R252 PolarHBondContact O-N 3.41Å; T250-R252 VanDerWaalsContact O-N 3.08Å; R252-A255 WeakPolarHBondContact O-CB 3.48Å; R252-A255 PolarHBondContact O-N 3.41Å; R252-T256 PolarHBondContact O-N 3.11Å; R252-T256 PolarHBondContact O-OG1 3.33Å
253K48.7Very low47.3Very low119 Ų11993.6 Ų93.652%0.51745%0.45SS..Hα-helixtrans-64-44.4175.2-92.9-176.1177.21760111T250 A255 T256 I257T250-K253 PolarHBondContact O-N 3.26Å; T250-K253 PolarHBondContact OG1-N 2.73Å; K253-A255 VanDerWaalsContact C-N 3.3Å; K253-A255 PolarHBondContact O-N 3.24Å; K253-T256 PolarHBondContact O-N 3.16Å; K253-I257 VanDerWaalsContact O-CB 3.3Å; K253-I257 WeakPolarHBondContact O-CB 3.33Å; K253-I257 WeakPolarHBondContact O-CD1 3.31Å; K253-I257 WeakPolarHBondContact O-CG1 3.41Å; K253-I257 PolarHBondContact O-N 2.81Å
254Y52.4Low47.7Very low88 Ų8892.5 Ų92.535%0.34545%0.446SS..Hα-helixtrans-55.1-50172.3175.4-98.5000110.5T250 F251 T256 I257 V258T250-Y254 PolarHBondContact O-N 3.46Å; F251-Y254 AromaticContact CD2-CD1 3.99Å; F251-Y254 HydrophobicContact CD2-CD1 3.99Å; F251-Y254 AromaticContact CE2-CD1 3.92Å; F251-Y254 HydrophobicContact CE2-CD1 3.92Å; F251-Y254 HydrophobicContact CE2-CE1 4.23Å; Y254-T256 PolarHBondContact O-N 3.25Å; Y254-I257 PolarHBondContact O-N 3.1Å; Y254-V258 HydrophobicContact CD1-CG2 4.07Å; Y254-V258 HydrophobicContact CD2-CG1 4.01Å; Y254-V258 HydrophobicContact CE1-CG1 4.41Å; Y254-V258 HydrophobicContact CE1-CG2 3.77Å; Y254-V258 HydrophobicContact CE2-CG1 3.69Å; Y254-V258 HydrophobicContact CG-CG1 4.5Å; Y254-V258 WeakPolarHBondContact O-CG1 3.45Å; Y254-V258 WeakPolarHBondContact O-CG2 3.37Å; Y254-V258 PolarHBondContact O-N 3.21Å
255A52Low48.1Very low13 Ų1391 Ų9111%0.10743%0.434CS..Hα-helixtrans-58.8-48-179.400000112.2F251 R252 K253 N259 Y260F251-A255 WeakPolarHBondContact O-CA 3.43Å; F251-A255 WeakPolarHBondContact O-CB 3.21Å; F251-A255 PolarHBondContact O-N 3.22Å; R252-A255 WeakPolarHBondContact O-CB 3.48Å; R252-A255 PolarHBondContact O-N 3.41Å; K253-A255 VanDerWaalsContact C-N 3.3Å; K253-A255 PolarHBondContact O-N 3.24Å; A255-N259 CarbonylContact O-C 3.58Å; A255-N259 VanDerWaalsContact O-CA 3.31Å; A255-N259 WeakPolarHBondContact O-CA 3.26Å; A255-N259 PolarHBondContact O-N 3.36Å; A255-Y260 VanDerWaalsContact CB-CB 3.49Å; A255-Y260 HydrophobicContact CB-CD1 3.9Å; A255-Y260 HydrophobicContact CB-CG 3.92Å; A255-Y260 WeakPolarHBondContact O-CB 3.5Å; A255-Y260 PolarHBondContact O-N 3.42Å
256T55.4Low48.3Very low110 Ų11090.5 Ų90.568%0.67543%0.425SS*.Hα-helixtrans-63.5-44.4176.3-540000111.5R252 K253 Y254 V258 N259R252-T256 PolarHBondContact O-N 3.11Å; R252-T256 PolarHBondContact O-OG1 3.33Å; K253-T256 PolarHBondContact O-N 3.16Å; Y254-T256 PolarHBondContact O-N 3.25Å; T256-V258 PolarHBondContact O-N 2.84Å; T256-N259 PolarHBondContact O-N 2.96Å
257I52.7Low48.5Very low95 Ų9587.9 Ų87.949%0.48742%0.415SS..Hα-helixtrans-65.2-41.7-178.4-69.4166.9000111.2W243 K253 Y254 N259W243-I257 HydrophobicContact CH2-CD1 3.78Å; W243-I257 HydrophobicContact CH2-CG2 4.17Å; W243-I257 HydrophobicContact CZ2-CD1 4.28Å; K253-I257 VanDerWaalsContact O-CB 3.3Å; K253-I257 WeakPolarHBondContact O-CB 3.33Å; K253-I257 WeakPolarHBondContact O-CD1 3.31Å; K253-I257 WeakPolarHBondContact O-CG1 3.41Å; K253-I257 PolarHBondContact O-N 2.81Å; Y254-I257 PolarHBondContact O-N 3.1Å; I257-N259 VanDerWaalsContact C-N 3.33Å
258V53.1Low48.9Very low36 Ų3687.6 Ų87.622%0.21841%0.405CS..Hα-helixtrans-90.83.5-178.6-51.90000113.4Y254 T256 Y260 R268Y254-V258 HydrophobicContact CD1-CG2 4.07Å; Y254-V258 HydrophobicContact CD2-CG1 4.01Å; Y254-V258 HydrophobicContact CE1-CG1 4.41Å; Y254-V258 HydrophobicContact CE1-CG2 3.77Å; Y254-V258 HydrophobicContact CE2-CG1 3.69Å; Y254-V258 HydrophobicContact CG-CG1 4.5Å; Y254-V258 WeakPolarHBondContact O-CG1 3.45Å; Y254-V258 WeakPolarHBondContact O-CG2 3.37Å; Y254-V258 PolarHBondContact O-N 3.21Å; T256-V258 PolarHBondContact O-N 2.84Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 2.88Å; V258-R268 PolarHBondContact O-NH1 3Å; V258-R268 PolarHBondContact O-NH2 3.42Å
259N52.6Low49.3Very low110 Ų11077.1 Ų77.159%0.58837%0.368SS*.THydrogen-bonded Turntrans47.853.6-170.3-166.826.2000111.7A255 T256 I257 D261A255-N259 CarbonylContact O-C 3.58Å; A255-N259 VanDerWaalsContact O-CA 3.31Å; A255-N259 WeakPolarHBondContact O-CA 3.26Å; A255-N259 PolarHBondContact O-N 3.36Å; T256-N259 PolarHBondContact O-N 2.96Å; I257-N259 VanDerWaalsContact C-N 3.33Å; N259-D261 PolarHBondContact O-N 3.12Å
260Y49.2Very low49.1Very low37 Ų3778 Ų7815%0.14538%0.377CS..  trans-67.5114177.4176.6-90.3000109.3P212 F251 A255 V258 P262 I265P212-Y260 HydrophobicContact CG-CD1 4.27Å; P212-Y260 HydrophobicContact CG-CE1 3.71Å; F251-Y260 HydrophobicContact CE1-CD1 4.26Å; F251-Y260 AromaticContact CE1-CE1 3.68Å; F251-Y260 HydrophobicContact CE1-CE1 3.68Å; F251-Y260 AromaticContact CE1-CE2 3.96Å; F251-Y260 HydrophobicContact CE1-CE2 3.96Å; F251-Y260 AromaticContact CE1-CZ 3.52Å; F251-Y260 HydrophobicContact CE2-CE2 4.48Å; F251-Y260 HydrophobicContact CZ-CD2 4.09Å; F251-Y260 HydrophobicContact CZ-CE1 4.1Å; F251-Y260 AromaticContact CZ-CE2 3.48Å; F251-Y260 HydrophobicContact CZ-CE2 3.48Å; F251-Y260 VanDerWaalsContact CZ-CE2 3.48Å; F251-Y260 AromaticContact CZ-CZ 3.5Å; A255-Y260 VanDerWaalsContact CB-CB 3.49Å; A255-Y260 HydrophobicContact CB-CD1 3.9Å; A255-Y260 HydrophobicContact CB-CG 3.92Å; A255-Y260 WeakPolarHBondContact O-CB 3.5Å; A255-Y260 PolarHBondContact O-N 3.42Å; V258-Y260 VanDerWaalsContact C-N 3.3Å; V258-Y260 PolarHBondContact O-N 2.88Å; Y260-P262 HydrophobicContact CD1-CG 4.29Å; Y260-P262 HydrophobicContact CE1-CB 4.04Å; Y260-P262 HydrophobicContact CE1-CG 3.73Å; Y260-I265 HydrophobicContact CD2-CG1 4.45Å; Y260-I265 HydrophobicContact CE2-CD1 3.46Å; Y260-I265 VanDerWaalsContact CE2-CD1 3.46Å; Y260-I265 HydrophobicContact CE2-CG1 3.59Å; Y260-I265 WeakPolarHBondContact OH-CD1 3.35Å
261D51.6Low49.2Very low55 Ų5585.1 Ų85.129%0.29441%0.406SS..  trans-105.1120.2163.9173.7-5.6000105.3N259 K263 R264 I265N259-D261 PolarHBondContact O-N 3.12Å; D261-K263 PolarHBondContact O-N 3.5Å; D261-K263 VanDerWaalsContact O-N 3.16Å; D261-K263 VanDerWaalsContact OD1-CB 3.25Å; D261-K263 WeakPolarHBondContact OD1-CB 3.32Å; D261-K263 PolarHBondContact OD1-N 3.23Å; D261-R264 HydrophobicContact CB-CB 3.87Å; D261-R264 HydrophobicContact CB-CG 3.63Å; D261-R264 CarbonylContact O-C 3.55Å; D261-R264 VanDerWaalsContact O-CA 3.31Å; D261-R264 WeakPolarHBondContact O-CA 3.33Å; D261-R264 WeakPolarHBondContact O-CB 3.48Å; D261-R264 PolarHBondContact O-N 2.91Å; D261-R264 WeakPolarHBondContact OD2-CG 3.49Å; D261-R264 IonicContact OD2-NE 2.75Å; D261-I265 PolarHBondContact O-N 3.19Å
262P47.5Very low49.5Very low55 Ų5587.8 Ų87.836%0.35742%0.42SS..Hα-helixtrans-53.1-33.9177-16.622.5000112Y260 R264 I265Y260-P262 HydrophobicContact CD1-CG 4.29Å; Y260-P262 HydrophobicContact CE1-CB 4.04Å; Y260-P262 HydrophobicContact CE1-CG 3.73Å; P262-R264 PolarHBondContact O-N 3.37Å; P262-I265 PolarHBondContact O-N 3Å
263K46.6Very low50.1Low173 Ų17385.1 Ų85.175%0.75242%0.416SS*.Hα-helixtrans-67.1-24.2174.9-60.7-176.5175.8-177.80112.3D261D261-K263 PolarHBondContact O-N 3.5Å; D261-K263 VanDerWaalsContact O-N 3.16Å; D261-K263 VanDerWaalsContact OD1-CB 3.25Å; D261-K263 WeakPolarHBondContact OD1-CB 3.32Å; D261-K263 PolarHBondContact OD1-N 3.23Å
264R47.3Very low50.7Low110 Ų11086 Ų8642%0.41543%0.427SS..Hα-helixtrans-92-3.8176.8-62.3-172.5172.2171.8-2.3114.7D261 P262 L266 E267 R268D261-R264 HydrophobicContact CB-CB 3.87Å; D261-R264 HydrophobicContact CB-CG 3.63Å; D261-R264 CarbonylContact O-C 3.55Å; D261-R264 VanDerWaalsContact O-CA 3.31Å; D261-R264 WeakPolarHBondContact O-CA 3.33Å; D261-R264 WeakPolarHBondContact O-CB 3.48Å; D261-R264 PolarHBondContact O-N 2.91Å; D261-R264 WeakPolarHBondContact OD2-CG 3.49Å; D261-R264 IonicContact OD2-NE 2.75Å; P262-R264 PolarHBondContact O-N 3.37Å; R264-L266 PolarHBondContact O-N 3.3Å; R264-E267 HydrophobicContact CB-CB 4.24Å; R264-E267 WeakPolarHBondContact CG-OE2 2.87Å; R264-E267 IonicContact NE-OE2 2.73Å; R264-E267 CarbonylContact O-C 3.54Å; R264-E267 PolarHBondContact O-N 3.37Å; R264-E267 VanDerWaalsContact O-N 3.14Å; R264-R268 PolarHBondContact O-N 3.26Å
265I50Low51.5Low54 Ų5483 Ų8328%0.27742%0.417SS..Hα-helixtrans-59.2-44.4171.8-121.6-174.2000109Y260 D261 P262 R268 V269Y260-I265 HydrophobicContact CD2-CG1 4.45Å; Y260-I265 HydrophobicContact CE2-CD1 3.46Å; Y260-I265 VanDerWaalsContact CE2-CD1 3.46Å; Y260-I265 HydrophobicContact CE2-CG1 3.59Å; Y260-I265 WeakPolarHBondContact OH-CD1 3.35Å; D261-I265 PolarHBondContact O-N 3.19Å; P262-I265 PolarHBondContact O-N 3Å; I265-R268 PolarHBondContact O-N 2.97Å; I265-V269 WeakPolarHBondContact O-CB 3.45Å; I265-V269 VanDerWaalsContact O-CG2 3.29Å; I265-V269 WeakPolarHBondContact O-CG2 3.31Å; I265-V269 PolarHBondContact O-N 3.11Å
266L44.6Very low52.5Low79 Ų7984.8 Ų84.841%0.41443%0.426SS..Hα-helixtrans-62.9-48.8172.2-76.1165.4000109.2R264 R268 V269 V270R264-L266 PolarHBondContact O-N 3.3Å; L266-R268 VanDerWaalsContact C-N 3.3Å; L266-R268 PolarHBondContact O-N 3.46Å; L266-V269 CarbonylContact O-C 3.58Å; L266-V269 PolarHBondContact O-N 2.83Å; L266-V270 WeakPolarHBondContact O-CA 3.21Å; L266-V270 WeakPolarHBondContact O-CB 3.12Å; L266-V270 WeakPolarHBondContact O-CG2 3.33Å; L266-V270 PolarHBondContact O-N 2.82Å
267E40.9Very low53.6Low109 Ų10981.1 Ų81.151%0.50940%0.403SS..Hα-helixtrans-60.1-32.3179.2-62.3-176.5177.300114.8R264 K271R264-E267 HydrophobicContact CB-CB 4.24Å; R264-E267 WeakPolarHBondContact CG-OE2 2.87Å; R264-E267 IonicContact NE-OE2 2.73Å; R264-E267 CarbonylContact O-C 3.54Å; R264-E267 PolarHBondContact O-N 3.37Å; R264-E267 VanDerWaalsContact O-N 3.14Å; E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 3.12Å
268R46.7Very low54.9Low127 Ų12782.4 Ų82.448%0.47941%0.411SS..Hα-helixtrans-79.2-38.4176.9-76.8-174.1175.1175.13.5112.7V258 R264 I265 L266 V270 K271V258-R268 PolarHBondContact O-NH1 3Å; V258-R268 PolarHBondContact O-NH2 3.42Å; R264-R268 PolarHBondContact O-N 3.26Å; I265-R268 PolarHBondContact O-N 2.97Å; L266-R268 VanDerWaalsContact C-N 3.3Å; L266-R268 PolarHBondContact O-N 3.46Å; R268-V270 VanDerWaalsContact C-N 3.28Å; R268-K271 PolarHBondContact O-N 3.21Å
269V50.9Low56.2Low30 Ų3084.1 Ų84.118%0.18242%0.417CS..Hα-helixtrans-68.5-33.1169.9175.80000110.3I265 L266 K271 L272 V305I265-V269 WeakPolarHBondContact O-CB 3.45Å; I265-V269 VanDerWaalsContact O-CG2 3.29Å; I265-V269 WeakPolarHBondContact O-CG2 3.31Å; I265-V269 PolarHBondContact O-N 3.11Å; L266-V269 CarbonylContact O-C 3.58Å; L266-V269 PolarHBondContact O-N 2.83Å; V269-K271 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.25Å; V269-L272 WeakPolarHBondContact O-CA 3.31Å; V269-L272 WeakPolarHBondContact O-CB 3.49Å; V269-L272 PolarHBondContact O-N 3.25Å; V269-V305 HydrophobicContact CG1-CG2 4.25Å
270V45.6Very low57.6Low80 Ų8084.6 Ų84.649%0.48543%0.426SS..Hα-helixtrans-72.3-26.4177.9165.60000111.5L266 R268 L272 V273L266-V270 WeakPolarHBondContact O-CA 3.21Å; L266-V270 WeakPolarHBondContact O-CB 3.12Å; L266-V270 WeakPolarHBondContact O-CG2 3.33Å; L266-V270 PolarHBondContact O-N 2.82Å; R268-V270 VanDerWaalsContact C-N 3.28Å; V270-L272 PolarHBondContact O-N 3.19Å; V270-V273 HydrophobicContact CB-CG2 4.16Å; V270-V273 HydrophobicContact CG1-CG2 3.85Å; V270-V273 HydrophobicContact CG2-CG2 4.45Å; V270-V273 WeakPolarHBondContact O-CB 3.37Å; V270-V273 WeakPolarHBondContact O-CG2 3.38Å; V270-V273 PolarHBondContact O-N 2.78Å
271K50.8Low59.2Low183 Ų18384.9 Ų84.980%0.79644%0.44SS*.THydrogen-bonded Turntrans-66.8-10.1167.8-80-178.4-178-173.10113.8E267 R268 V269E267-K271 WeakPolarHBondContact O-CG 3.38Å; E267-K271 PolarHBondContact O-N 3.12Å; R268-K271 PolarHBondContact O-N 3.21Å; V269-K271 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.25Å
272L54Low60.8Low67 Ų6782.2 Ų82.235%0.35143%0.426SS..THydrogen-bonded Turntrans-101.414.7171.4-59.8164.6000111.8V269 V270 D274 L275 I301V269-L272 WeakPolarHBondContact O-CA 3.31Å; V269-L272 WeakPolarHBondContact O-CB 3.49Å; V269-L272 PolarHBondContact O-N 3.25Å; V270-L272 PolarHBondContact O-N 3.19Å; L272-D274 PolarHBondContact O-N 2.71Å; L272-L275 HydrophobicContact CB-CD1 4Å; L272-L275 HydrophobicContact CD2-CD1 3.83Å; L272-L275 HydrophobicContact CG-CD1 4.44Å; L272-L275 WeakPolarHBondContact O-CB 3.31Å; L272-L275 PolarHBondContact O-N 3.02Å; L272-I301 HydrophobicContact CB-CG2 3.87Å; L272-I301 HydrophobicContact CD1-CD1 3.71Å; L272-I301 HydrophobicContact CD1-CG1 4.19Å; L272-I301 HydrophobicContact CD1-CG2 3.71Å; L272-I301 HydrophobicContact CG-CG2 4.36Å
273V58.7Low62.6Low58 Ų5885.6 Ų85.635%0.35244%0.437SS..THydrogen-bonded Turntrans-52.7-24.7-177.6151.70000114.3V270 L275 R309V270-V273 HydrophobicContact CB-CG2 4.16Å; V270-V273 HydrophobicContact CG1-CG2 3.85Å; V270-V273 HydrophobicContact CG2-CG2 4.45Å; V270-V273 WeakPolarHBondContact O-CB 3.37Å; V270-V273 WeakPolarHBondContact O-CG2 3.38Å; V270-V273 PolarHBondContact O-N 2.78Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-R309 PolarHBondContact O-NH2 3.11Å
274D62.4Low64.7Low137 Ų13780.1 Ų80.173%0.73341%0.411SS*.THydrogen-bonded Turntrans-78.5-18.6-179.5-63.1-26.8000113.1L272 T276L272-D274 PolarHBondContact O-N 2.71Å; D274-T276 PolarHBondContact O-N 3.35Å
275L69Low66.7Low26 Ų2680.2 Ų80.214%0.13643%0.425CS..  trans-68.9129.9174.6-84.4143.2000110.8L272 V273 E279 T282 L298 I301L272-L275 HydrophobicContact CB-CD1 4Å; L272-L275 HydrophobicContact CD2-CD1 3.83Å; L272-L275 HydrophobicContact CG-CD1 4.44Å; L272-L275 WeakPolarHBondContact O-CB 3.31Å; L272-L275 PolarHBondContact O-N 3.02Å; V273-L275 VanDerWaalsContact C-N 3.35Å; L275-E279 WeakPolarHBondContact CA-OE2 3.32Å; L275-E279 WeakPolarHBondContact CD2-OE2 3.34Å; L275-E279 WeakPolarHBondContact CG-OE2 3.42Å; L275-T282 HydrophobicContact CD2-CG2 4.29Å; L275-L298 HydrophobicContact CD2-CD2 4.34Å; L275-I301 HydrophobicContact CD1-CG2 4.16Å
276T72.8Confident68.6Low50 Ų5081 Ų8131%0.30743%0.429SS..  trans-123.3157173.569.20000109.9D274 N278 E279 T282D274-T276 PolarHBondContact O-N 3.35Å; T276-N278 PolarHBondContact O-N 3.37Å; T276-E279 PolarHBondContact O-N 3.09Å; T276-T282 PolarHBondContact O-OG1 3.03Å; T276-T282 VanDerWaalsContact O-OG1 3.13Å
277V78.6Confident70.6Confident32 Ų3285.9 Ų85.919%0.19444%0.442CS..THydrogen-bonded Turntrans-59.2-11.8176.6-69.70000113.6T282 A302 V303 D306V277-T282 PolarHBondContact O-OG1 3.3Å; V277-A302 HydrophobicContact CG1-CB 4.07Å; V277-V303 HydrophobicContact CG1-CG2 3.87Å; V277-D306 HydrophobicContact CG1-CB 4.17Å
278N80.8Confident72.8Confident122 Ų12283.9 Ų83.965%0.65244%0.435SS*.THydrogen-bonded Turntrans-93.8-6.6178.3-64.1-42.6000114.3T276 Q283T276-N278 PolarHBondContact O-N 3.37Å; N278-Q283 PolarHBondContact O-NE2 2.74Å
279E79.7Confident74.9Confident72 Ų7279.1 Ų79.134%0.33642%0.419SS..SBendtrans-71155.4-178.9-67.6-156.5145.300113.1L275 T276 G281 T282L275-E279 WeakPolarHBondContact CA-OE2 3.32Å; L275-E279 WeakPolarHBondContact CD2-OE2 3.34Å; L275-E279 WeakPolarHBondContact CG-OE2 3.42Å; T276-E279 PolarHBondContact O-N 3.09Å; E279-G281 PolarHBondContact O-N 3.3Å; E279-T282 HydrophobicContact CB-CG2 4.4Å; E279-T282 PolarHBondContact N-OG1 3.02Å; E279-T282 PolarHBondContact O-N 3.05Å; E279-T282 VanDerWaalsContact O-N 3.11Å; E279-T282 PolarHBondContact O-OG1 3.37Å
280P82.8Confident76.9Confident121 Ų12180 Ų8079%0.78642%0.419SS*.THydrogen-bonded Turntrans-55.3129.3173.3-24.734.7000111.7
281G82.6Confident79.1Confident42 Ų4277.7 Ų77.743%0.43340%0.403SS..THydrogen-bonded Turntrans92.7-11.3-178.100000115.2E279 N296E279-G281 PolarHBondContact O-N 3.3Å; G281-N296 PolarHBondContact O-ND2 3.27Å
282T84.1Confident81Confident0 Ų075.3 Ų75.30%039%0.394CS..THydrogen-bonded Turntrans-98.9-11.9172.568.10000113L275 T276 V277 E279 L298 A302L275-T282 HydrophobicContact CD2-CG2 4.29Å; T276-T282 PolarHBondContact O-OG1 3.03Å; T276-T282 VanDerWaalsContact O-OG1 3.13Å; V277-T282 PolarHBondContact O-OG1 3.3Å; E279-T282 HydrophobicContact CB-CG2 4.4Å; E279-T282 PolarHBondContact N-OG1 3.02Å; E279-T282 PolarHBondContact O-N 3.05Å; E279-T282 VanDerWaalsContact O-N 3.11Å; E279-T282 PolarHBondContact O-OG1 3.37Å; T282-L298 HydrophobicContact CG2-CB 4.39Å; T282-A302 HydrophobicContact CG2-CB 3.63Å
283Q86.3Confident82.9Confident125 Ų12577.2 Ų77.258%0.58440%0.4SS*.  trans-77.6143.8-177.7-62.1-179.90.600112.3N278 Q299N278-Q283 PolarHBondContact O-NE2 2.74Å; Q283-Q299 PolarHBondContact O-NE2 2.66Å
284W90.2Very high84.6Confident58 Ų5878 Ų7822%0.2241%0.406CS..  trans-99.4151.4167.9-58.9-92.2000110N286 D289 R290 W295 Q299 V303W284-N286 VanDerWaalsContact C-N 3.3Å; W284-N286 PolarHBondContact O-N 2.73Å; W284-D289 HydrophobicContact CB-CB 4.36Å; W284-R290 HydrophobicContact CB-CB 4.14Å; W284-R290 HydrophobicContact CD2-CB 3.81Å; W284-R290 HydrophobicContact CD2-CG 3.81Å; W284-R290 HydrophobicContact CE3-CB 4.45Å; W284-R290 HydrophobicContact CE3-CG 4.22Å; W284-R290 HydrophobicContact CG-CB 3.63Å; W284-R290 HydrophobicContact CG-CG 4.17Å; W284-R290 HydrophobicContact CH2-CG 4.45Å; W284-R290 HydrophobicContact CZ2-CG 4.05Å; W284-W295 AromaticContact CE2-NE1 3.88Å; W284-W295 HydrophobicContact CZ2-CD2 4.09Å; W284-W295 AromaticContact CZ2-CE2 3.75Å; W284-W295 HydrophobicContact CZ2-CG 4.32Å; W284-W295 HydrophobicContact CZ2-CZ2 4.05Å; W284-W295 AromaticContact CZ2-NE1 3.85Å; W284-W295 AromaticContact NE1-CD1 3.46Å; W284-W295 AromaticContact NE1-NE1 3.46Å; W284-Q299 HydrophobicContact CZ2-CB 4.21Å; W284-Q299 HydrophobicContact CZ2-CG 4.29Å; W284-V303 HydrophobicContact CH2-CG2 3.54Å; W284-V303 HydrophobicContact CZ2-CG2 4.12Å
285T88.7Confident86.1Confident113 Ų11371.8 Ų71.869%0.69337%0.372SS*.SBendtrans-70.4-31.7179.673.30000112.3D289T285-D289 PolarHBondContact OG1-OD2 2.86Å
286N90.1Very high87.2Confident70 Ų7073.8 Ų73.837%0.37438%0.383SS..SBendtrans-160.217817963.964.7000109.6W284 L288 D289 R290W284-N286 VanDerWaalsContact C-N 3.3Å; W284-N286 PolarHBondContact O-N 2.73Å; N286-L288 WeakPolarHBondContact OD1-CA 3.37Å; N286-L288 VanDerWaalsContact OD1-CB 3.28Å; N286-L288 WeakPolarHBondContact OD1-CB 3.42Å; N286-L288 PolarHBondContact OD1-N 3.41Å; N286-D289 WeakPolarHBondContact O-CB 3.42Å; N286-D289 PolarHBondContact O-N 3.48Å; N286-D289 PolarHBondContact OD1-N 3.45Å; N286-R290 PolarHBondContact O-N 3.07Å
287W86.9Confident87.9Confident181 Ų18174.5 Ų74.569%0.68639%0.385SS*.Hα-helixtrans-67.5-37-178.977-86.5000113.3D289 R290 E291W287-D289 VanDerWaalsContact C-N 3.31Å; W287-D289 PolarHBondContact O-N 3.07Å; W287-R290 WeakPolarHBondContact O-CB 3.13Å; W287-R290 PolarHBondContact O-N 2.84Å; W287-R290 VanDerWaalsContact O-N 3.08Å; W287-E291 HydrophobicContact CE3-CG 3.9Å; W287-E291 HydrophobicContact CZ3-CG 4.1Å; W287-E291 PolarHBondContact O-N 3.43Å; W287-E291 VanDerWaalsContact O-N 3.07Å
288L88.1Confident88.4Confident67 Ų6776.9 Ų76.935%0.35140%0.396SS..Hα-helixtrans-63.1-40.7176.9-73157000111N286 R290 E291 E292N286-L288 WeakPolarHBondContact OD1-CA 3.37Å; N286-L288 VanDerWaalsContact OD1-CB 3.28Å; N286-L288 WeakPolarHBondContact OD1-CB 3.42Å; N286-L288 PolarHBondContact OD1-N 3.41Å; L288-R290 PolarHBondContact O-N 3.42Å; L288-E291 PolarHBondContact O-N 3.48Å; L288-E291 VanDerWaalsContact O-N 3.11Å; L288-E292 WeakPolarHBondContact O-CB 3.31Å; L288-E292 PolarHBondContact O-N 2.98Å
289D89.2Confident89Confident28 Ų2872 Ų7215%0.1537%0.37CS..Hα-helixtrans-59.9-30.8174.7-9122000112.3W284 T285 N286 W287 K293W284-D289 HydrophobicContact CB-CB 4.36Å; T285-D289 PolarHBondContact OG1-OD2 2.86Å; N286-D289 WeakPolarHBondContact O-CB 3.42Å; N286-D289 PolarHBondContact O-N 3.48Å; N286-D289 PolarHBondContact OD1-N 3.45Å; W287-D289 VanDerWaalsContact C-N 3.31Å; W287-D289 PolarHBondContact O-N 3.07Å; D289-K293 HydrophobicContact CB-CD 4.3Å; D289-K293 WeakPolarHBondContact O-CB 3.48Å; D289-K293 WeakPolarHBondContact OD1-CE 3.29Å; D289-K293 IonicContact OD1-NZ 3.88Å; D289-K293 PolarHBondContact OD1-NZ 3.49Å; D289-K293 IonicContact OD2-NZ 2.74Å; D289-K293 PolarHBondContact OD2-NZ 2.98Å
290R92.5Very high89.5Confident48 Ų4868.7 Ų68.718%0.18135%0.354CS..Hα-helixtrans-76.1-36174.4-179178.8175.5-84.78.1112.7W284 N286 W287 L288 W295 D335 R355W284-R290 HydrophobicContact CB-CB 4.14Å; W284-R290 HydrophobicContact CD2-CB 3.81Å; W284-R290 HydrophobicContact CD2-CG 3.81Å; W284-R290 HydrophobicContact CE3-CB 4.45Å; W284-R290 HydrophobicContact CE3-CG 4.22Å; W284-R290 HydrophobicContact CG-CB 3.63Å; W284-R290 HydrophobicContact CG-CG 4.17Å; W284-R290 HydrophobicContact CH2-CG 4.45Å; W284-R290 HydrophobicContact CZ2-CG 4.05Å; N286-R290 PolarHBondContact O-N 3.07Å; W287-R290 WeakPolarHBondContact O-CB 3.13Å; W287-R290 PolarHBondContact O-N 2.84Å; W287-R290 VanDerWaalsContact O-N 3.08Å; L288-R290 PolarHBondContact O-N 3.42Å; R290-W295 HydrophobicContact CG-CZ2 4.06Å; R290-W295 PolarHBondContact O-NE1 3.44Å; R290-D335 IonicContact CZ-OD1 2.93Å; R290-D335 IonicContact CZ-OD2 3.74Å; R290-D335 IonicContact NH1-OD1 2.92Å; R290-D335 IonicContact NH2-OD1 3.82Å; R290-D335 PolarHBondContact NH2-OD1 2.88Å; R290-D335 IonicContact NH2-OD2 3.87Å; R290-D335 PolarHBondContact NH2-OD2 3.13Å; R290-R355 VanDerWaalsContact NH1-CD 3.35Å
291E91.7Very high89.7Confident32 Ų3264.2 Ų64.215%0.1532%0.323CS..Hα-helixtrans-81.5-46.9-177.5-65.5-52.2130.800113.2W287 L288 S354 R355 F356W287-E291 HydrophobicContact CE3-CG 3.9Å; W287-E291 HydrophobicContact CZ3-CG 4.1Å; W287-E291 PolarHBondContact O-N 3.43Å; W287-E291 VanDerWaalsContact O-N 3.07Å; L288-E291 PolarHBondContact O-N 3.48Å; L288-E291 VanDerWaalsContact O-N 3.11Å; E291-S354 WeakPolarHBondContact O-CB 3.3Å; E291-R355 PolarHBondContact O-N 2.7Å; E291-R355 WeakPolarHBondContact OE1-CD 3.44Å; E291-R355 IonicContact OE1-CZ 3.89Å; E291-R355 IonicContact OE1-NE 3.77Å; E291-R355 IonicContact OE1-NH1 3.45Å; E291-R355 PolarHBondContact OE1-NH1 3.45Å; E291-R355 IonicContact OE2-CZ 3.74Å; E291-R355 IonicContact OE2-NH1 2.78Å; E291-R355 PolarHBondContact OE2-NH1 2.78Å; E291-F356 VanDerWaalsContact O-CB 3.25Å; E291-F356 WeakPolarHBondContact O-CB 3.16Å; E291-F356 PolarHBondContact O-N 3.47Å
292E91.4Very high90.1Very high132 Ų13262.3 Ų62.362%0.61730%0.303SS*.Hα-helixtrans-95.4-22.2-167.5-63.3-173.3166.500114.1L288 S354L288-E292 WeakPolarHBondContact O-CB 3.31Å; L288-E292 PolarHBondContact O-N 2.98Å; E292-S354 VanDerWaalsContact O-CB 3.3Å; E292-S354 WeakPolarHBondContact O-CB 3.41Å
293K93.8Very high90.5Very high108 Ų10862.5 Ų62.547%0.4730%0.304SS..SBendtrans-96.3140.3-179.6-61.2177.1177.4164.90111.3D289 W295D289-K293 HydrophobicContact CB-CD 4.3Å; D289-K293 WeakPolarHBondContact O-CB 3.48Å; D289-K293 WeakPolarHBondContact OD1-CE 3.29Å; D289-K293 IonicContact OD1-NZ 3.88Å; D289-K293 PolarHBondContact OD1-NZ 3.49Å; D289-K293 IonicContact OD2-NZ 2.74Å; D289-K293 PolarHBondContact OD2-NZ 2.98Å; K293-W295 PolarHBondContact O-N 3.44Å
294P94.9Very high90.7Very high73 Ų7356.5 Ų56.547%0.47428%0.276SS..BIsolated β-bridgetrans-57.1132.8169-25.235000111.5I352P294-I352 HydrophobicContact CB-CB 4.32Å; P294-I352 HydrophobicContact CB-CG2 3.87Å
295W94.5Very high90.5Very high7 Ų754.2 Ų54.23%0.02727%0.269CS..PPolyproline II helixtrans-73.8139.5177.2-64.5-4.9000110.8W284 R290 K293 Q299 C300 V303 T338 A339 R355W284-W295 AromaticContact CE2-NE1 3.88Å; W284-W295 HydrophobicContact CZ2-CD2 4.09Å; W284-W295 AromaticContact CZ2-CE2 3.75Å; W284-W295 HydrophobicContact CZ2-CG 4.32Å; W284-W295 HydrophobicContact CZ2-CZ2 4.05Å; W284-W295 AromaticContact CZ2-NE1 3.85Å; W284-W295 AromaticContact NE1-CD1 3.46Å; W284-W295 AromaticContact NE1-NE1 3.46Å; R290-W295 HydrophobicContact CG-CZ2 4.06Å; R290-W295 PolarHBondContact O-NE1 3.44Å; K293-W295 PolarHBondContact O-N 3.44Å; W295-Q299 HydrophobicContact CB-CB 3.98Å; W295-Q299 HydrophobicContact CG-CB 4.44Å; W295-C300 VanDerWaalsContact CB-SG 3.56Å; W295-V303 HydrophobicContact CE3-CG2 4.4Å; W295-V303 HydrophobicContact CH2-CB 4.35Å; W295-V303 HydrophobicContact CH2-CG1 3.82Å; W295-V303 HydrophobicContact CH2-CG2 4.13Å; W295-V303 HydrophobicContact CZ3-CB 3.87Å; W295-V303 HydrophobicContact CZ3-CG1 3.64Å; W295-V303 HydrophobicContact CZ3-CG2 3.94Å; W295-T338 HydrophobicContact CD2-CG2 4.07Å; W295-T338 HydrophobicContact CE3-CG2 3.66Å; W295-T338 HydrophobicContact CH2-CG2 3.66Å; W295-T338 HydrophobicContact CZ2-CG2 4.08Å; W295-T338 HydrophobicContact CZ3-CG2 3.41Å; W295-T338 VanDerWaalsContact CZ3-CG2 3.41Å; W295-A339 HydrophobicContact CZ3-CB 4.31Å; W295-R355 HydrophobicContact CH2-CG 4.49Å; W295-R355 HydrophobicContact CZ2-CB 3.89Å; W295-R355 HydrophobicContact CZ2-CG 4.14Å
296N91.7Very high90.6Very high68 Ų6852.3 Ų52.336%0.36425%0.254SS..PPolyproline II helixtrans-71.3168.7168.474.651.6000110.6G281 L298 Q299 C300G281-N296 PolarHBondContact O-ND2 3.27Å; N296-L298 VanDerWaalsContact C-N 3.34Å; N296-L298 PolarHBondContact O-N 3.49Å; N296-L298 WeakPolarHBondContact OD1-CA 3.47Å; N296-L298 WeakPolarHBondContact OD1-CB 3.41Å; N296-L298 PolarHBondContact OD1-N 3.32Å; N296-Q299 VanDerWaalsContact ND2-CD 3.26Å; N296-Q299 PolarHBondContact ND2-OE1 3.2Å; N296-Q299 WeakPolarHBondContact O-CB 3.31Å; N296-Q299 PolarHBondContact O-N 3.49Å; N296-Q299 PolarHBondContact OD1-N 2.81Å; N296-C300 PolarHBondContact O-N 3.43Å; N296-C300 PolarHBondContact O-SG 2.85Å
297L87.7Confident90.7Very high66 Ų6649.1 Ų49.135%0.34624%0.237SC..Hα-helixtrans-64.4-36-176.3-64.2176.6000113.7C300 I301 L343 H346L297-C300 PolarHBondContact O-N 3.33Å; L297-I301 WeakPolarHBondContact O-CB 3.19Å; L297-I301 WeakPolarHBondContact O-CD1 3.13Å; L297-I301 VanDerWaalsContact O-CG1 3.24Å; L297-I301 WeakPolarHBondContact O-CG1 3.44Å; L297-I301 PolarHBondContact O-N 3.32Å; L297-L343 HydrophobicContact CD2-CD2 4.45Å; L297-H346 VanDerWaalsContact CD1-CE1 3.47Å; L297-H346 WeakPolarHBondContact CD1-CE1 3.41Å; L297-H346 HydrophobicContact CD2-CB 3.74Å
298L88.5Confident90.8Very high82 Ų8242 Ų4243%0.42921%0.213SC..Hα-helixtrans-64.9-43177-66.7171.2000110.5L275 T282 N296 I301 A302L275-L298 HydrophobicContact CD2-CD2 4.34Å; T282-L298 HydrophobicContact CG2-CB 4.39Å; N296-L298 VanDerWaalsContact C-N 3.34Å; N296-L298 PolarHBondContact O-N 3.49Å; N296-L298 WeakPolarHBondContact OD1-CA 3.47Å; N296-L298 WeakPolarHBondContact OD1-CB 3.41Å; N296-L298 PolarHBondContact OD1-N 3.32Å; L298-I301 PolarHBondContact O-N 2.73Å; L298-A302 WeakPolarHBondContact O-CB 3.5Å; L298-A302 PolarHBondContact O-N 3.45Å
299Q92.9Very high90.7Very high20 Ų2044 Ų449%0.09322%0.216CC..Hα-helixtrans-58.8-47.8172.6-73.3170.3-25.400111.2Q283 W284 W295 N296 I301 A302 V303Q283-Q299 PolarHBondContact O-NE2 2.66Å; W284-Q299 HydrophobicContact CZ2-CB 4.21Å; W284-Q299 HydrophobicContact CZ2-CG 4.29Å; W295-Q299 HydrophobicContact CB-CB 3.98Å; W295-Q299 HydrophobicContact CG-CB 4.44Å; N296-Q299 VanDerWaalsContact ND2-CD 3.26Å; N296-Q299 PolarHBondContact ND2-OE1 3.2Å; N296-Q299 WeakPolarHBondContact O-CB 3.31Å; N296-Q299 PolarHBondContact O-N 3.49Å; N296-Q299 PolarHBondContact OD1-N 2.81Å; Q299-I301 PolarHBondContact O-N 3.33Å; Q299-A302 PolarHBondContact O-N 2.96Å; Q299-V303 VanDerWaalsContact O-CG2 3.3Å; Q299-V303 WeakPolarHBondContact O-CG2 3.21Å; Q299-V303 PolarHBondContact O-N 2.78Å
300C91.8Very high90.8Very high1 Ų144.5 Ų44.51%0.00722%0.221CC..Hα-helixtrans-61-44.5178.1-63.60000112.2W295 N296 L297 A304 A339 L343W295-C300 VanDerWaalsContact CB-SG 3.56Å; N296-C300 PolarHBondContact O-N 3.43Å; N296-C300 PolarHBondContact O-SG 2.85Å; L297-C300 PolarHBondContact O-N 3.33Å; C300-A304 VanDerWaalsContact O-CB 3.27Å; C300-A304 WeakPolarHBondContact O-CB 3.41Å; C300-A304 PolarHBondContact O-N 2.84Å; C300-A339 WeakPolarHBondContact O-CB 3.48Å; C300-L343 HydrophobicContact CB-CD2 3.85Å; C300-L343 HydrophobicContact CB-CG 3.92Å
301I87.1Confident90.7Very high28 Ų2842.2 Ų42.214%0.14421%0.213CC..Hα-helixtrans-62.1-48.7177.8-70.4162.8000110.6L272 L275 L297 L298 Q299 V303 A304 V305 L343L272-I301 HydrophobicContact CB-CG2 3.87Å; L272-I301 HydrophobicContact CD1-CD1 3.71Å; L272-I301 HydrophobicContact CD1-CG1 4.19Å; L272-I301 HydrophobicContact CD1-CG2 3.71Å; L272-I301 HydrophobicContact CG-CG2 4.36Å; L275-I301 HydrophobicContact CD1-CG2 4.16Å; L297-I301 WeakPolarHBondContact O-CB 3.19Å; L297-I301 WeakPolarHBondContact O-CD1 3.13Å; L297-I301 VanDerWaalsContact O-CG1 3.24Å; L297-I301 WeakPolarHBondContact O-CG1 3.44Å; L297-I301 PolarHBondContact O-N 3.32Å; L298-I301 PolarHBondContact O-N 2.73Å; Q299-I301 PolarHBondContact O-N 3.33Å; I301-V303 PolarHBondContact O-N 3.37Å; I301-A304 WeakPolarHBondContact O-CB 3.37Å; I301-A304 PolarHBondContact O-N 2.98Å; I301-V305 WeakPolarHBondContact O-CG2 3.24Å; I301-V305 PolarHBondContact O-N 3.5Å; I301-L343 HydrophobicContact CG1-CD2 3.91Å
302A89.3Confident90.4Very high1 Ų145.3 Ų45.31%0.00823%0.225CC..Hα-helixtrans-60.9-44.3-178.400000111.9V277 T282 L298 Q299 V305 D306V277-A302 HydrophobicContact CG1-CB 4.07Å; T282-A302 HydrophobicContact CG2-CB 3.63Å; L298-A302 WeakPolarHBondContact O-CB 3.5Å; L298-A302 PolarHBondContact O-N 3.45Å; Q299-A302 PolarHBondContact O-N 2.96Å; A302-V305 PolarHBondContact O-N 3.06Å; A302-D306 WeakPolarHBondContact O-CB 3.41Å; A302-D306 PolarHBondContact O-N 2.86Å
303V92.6Very high90.3Very high4 Ų446.7 Ų46.72%0.02423%0.229CC..Hα-helixtrans-68.7-37.4176.2177.70000111.9V277 W284 W295 Q299 I301 V305 D306 S307 D335 A339V277-V303 HydrophobicContact CG1-CG2 3.87Å; W284-V303 HydrophobicContact CH2-CG2 3.54Å; W284-V303 HydrophobicContact CZ2-CG2 4.12Å; W295-V303 HydrophobicContact CE3-CG2 4.4Å; W295-V303 HydrophobicContact CH2-CB 4.35Å; W295-V303 HydrophobicContact CH2-CG1 3.82Å; W295-V303 HydrophobicContact CH2-CG2 4.13Å; W295-V303 HydrophobicContact CZ3-CB 3.87Å; W295-V303 HydrophobicContact CZ3-CG1 3.64Å; W295-V303 HydrophobicContact CZ3-CG2 3.94Å; Q299-V303 VanDerWaalsContact O-CG2 3.3Å; Q299-V303 WeakPolarHBondContact O-CG2 3.21Å; Q299-V303 PolarHBondContact O-N 2.78Å; I301-V303 PolarHBondContact O-N 3.37Å; V303-V305 VanDerWaalsContact C-N 3.35Å; V303-V305 PolarHBondContact O-N 3.28Å; V303-D306 PolarHBondContact O-N 2.94Å; V303-S307 VanDerWaalsContact O-CB 3.26Å; V303-S307 WeakPolarHBondContact O-CB 3.49Å; V303-S307 PolarHBondContact O-N 2.75Å; V303-S307 PolarHBondContact O-OG 3.01Å; V303-D335 HydrophobicContact CG1-CB 3.6Å; V303-A339 HydrophobicContact CB-CB 4.27Å; V303-A339 HydrophobicContact CG1-CB 4.19Å
304A90.6Very high90.2Very high0 Ų046.1 Ų46.10%022%0.224CC..Hα-helixtrans-59.4-46.1174.700000111.2C300 I301 S307 L308 A339 F340 L343C300-A304 VanDerWaalsContact O-CB 3.27Å; C300-A304 WeakPolarHBondContact O-CB 3.41Å; C300-A304 PolarHBondContact O-N 2.84Å; I301-A304 WeakPolarHBondContact O-CB 3.37Å; I301-A304 PolarHBondContact O-N 2.98Å; A304-S307 PolarHBondContact O-OG 3.13Å; A304-S307 VanDerWaalsContact O-OG 3.11Å; A304-L308 VanDerWaalsContact O-CB 3.3Å; A304-L308 WeakPolarHBondContact O-CB 3.44Å; A304-L308 WeakPolarHBondContact O-CD1 3.11Å; A304-L308 WeakPolarHBondContact O-CG 3.5Å; A304-L308 PolarHBondContact O-N 3.09Å; A304-A339 HydrophobicContact CB-CB 3.89Å; A304-F340 HydrophobicContact CB-CD2 4.49Å; A304-F340 HydrophobicContact CB-CE2 3.99Å; A304-F340 HydrophobicContact CB-CZ 4.19Å; A304-L343 HydrophobicContact CB-CD1 4.15Å
305V86.9Confident89.6Confident9 Ų944.2 Ų44.26%0.05521%0.21CC..Hα-helixtrans-64.1-45178.1172.50000111.3V269 I301 A302 V303 R309V269-V305 HydrophobicContact CG1-CG2 4.25Å; I301-V305 WeakPolarHBondContact O-CG2 3.24Å; I301-V305 PolarHBondContact O-N 3.5Å; A302-V305 PolarHBondContact O-N 3.06Å; V303-V305 VanDerWaalsContact C-N 3.35Å; V303-V305 PolarHBondContact O-N 3.28Å; V305-R309 VanDerWaalsContact CG1-CZ 3.44Å; V305-R309 WeakPolarHBondContact O-CG 3.36Å; V305-R309 PolarHBondContact O-N 3.17Å; V305-R309 VanDerWaalsContact O-N 3.12Å
306D90.1Very high89.2Confident73 Ų7348.7 Ų48.739%0.3924%0.235SC..Hα-helixtrans-69.7-43.7-177.3-158.955.4000112.5V277 A302 V303 L308 R309 S310V277-D306 HydrophobicContact CG1-CB 4.17Å; A302-D306 WeakPolarHBondContact O-CB 3.41Å; A302-D306 PolarHBondContact O-N 2.86Å; V303-D306 PolarHBondContact O-N 2.94Å; D306-L308 PolarHBondContact O-N 3.28Å; D306-R309 PolarHBondContact O-N 3.35Å; D306-S310 WeakPolarHBondContact O-CB 3.36Å; D306-S310 PolarHBondContact O-N 3.24Å
307S92.7Very high89.1Confident3 Ų349.6 Ų49.62%0.02125%0.251CS..Hα-helixtrans-62.8-42.4175.659.20000112.1V303 A304 R309 S310 L311V303-S307 VanDerWaalsContact O-CB 3.26Å; V303-S307 WeakPolarHBondContact O-CB 3.49Å; V303-S307 PolarHBondContact O-N 2.75Å; V303-S307 PolarHBondContact O-OG 3.01Å; A304-S307 PolarHBondContact O-OG 3.13Å; A304-S307 VanDerWaalsContact O-OG 3.11Å; S307-R309 PolarHBondContact O-N 3.48Å; S307-S310 PolarHBondContact O-N 2.91Å; S307-L311 WeakPolarHBondContact O-CB 3.46Å; S307-L311 VanDerWaalsContact O-CG 3.25Å; S307-L311 WeakPolarHBondContact O-CG 3.47Å; S307-L311 PolarHBondContact O-N 3.13Å
308L87.9Confident88.9Confident32 Ų3251.4 Ų51.417%0.16826%0.261CS..Hα-helixtrans-57-47.5172.8-80.5172.5000112.3L200 F201 A304 D306 K312 F336 F340L200-L308 HydrophobicContact CD1-CD2 4.02Å; F201-L308 HydrophobicContact CE2-CD2 4.14Å; F201-L308 HydrophobicContact CZ-CD2 3.77Å; A304-L308 VanDerWaalsContact O-CB 3.3Å; A304-L308 WeakPolarHBondContact O-CB 3.44Å; A304-L308 WeakPolarHBondContact O-CD1 3.11Å; A304-L308 WeakPolarHBondContact O-CG 3.5Å; A304-L308 PolarHBondContact O-N 3.09Å; D306-L308 PolarHBondContact O-N 3.28Å; L308-K312 VanDerWaalsContact O-CB 3.27Å; L308-K312 WeakPolarHBondContact O-CB 3.46Å; L308-K312 PolarHBondContact O-N 2.98Å; L308-F336 HydrophobicContact CD2-CD2 4.28Å; L308-F336 HydrophobicContact CD2-CE2 3.71Å; L308-F336 HydrophobicContact CG-CE2 4.33Å; L308-F340 HydrophobicContact CD1-CE2 4.37Å; L308-F340 HydrophobicContact CD1-CZ 3.98Å; L308-F340 HydrophobicContact CD2-CE2 4.42Å; L308-F340 HydrophobicContact CD2-CZ 4.47Å; L308-F340 HydrophobicContact CG-CE2 4.19Å; L308-F340 HydrophobicContact CG-CZ 4.28Å
309R87.4Confident88.4Confident110 Ų11049.4 Ų49.442%0.41526%0.26SS..Hα-helixtrans-62.2-45178.4-73.9174.5-173.3160.24.2111.5V273 V305 D306 S307 K313V273-R309 PolarHBondContact O-NH2 3.11Å; V305-R309 VanDerWaalsContact CG1-CZ 3.44Å; V305-R309 WeakPolarHBondContact O-CG 3.36Å; V305-R309 PolarHBondContact O-N 3.17Å; V305-R309 VanDerWaalsContact O-N 3.12Å; D306-R309 PolarHBondContact O-N 3.35Å; S307-R309 PolarHBondContact O-N 3.48Å; R309-K313 WeakPolarHBondContact O-CB 3.37Å; R309-K313 PolarHBondContact O-N 3.08Å
310S91.4Very high87.2Confident38 Ų3856.1 Ų56.127%0.26630%0.296SS..Hα-helixtrans-65.3-47.5-178.9-173.90000111.7D306 S307 K313 R314D306-S310 WeakPolarHBondContact O-CB 3.36Å; D306-S310 PolarHBondContact O-N 3.24Å; S307-S310 PolarHBondContact O-N 2.91Å; S310-K313 PolarHBondContact O-N 3.02Å; S310-R314 WeakPolarHBondContact O-CG 3.33Å; S310-R314 PolarHBondContact O-N 3.47Å
311L89Confident86.1Confident0 Ų064.2 Ų64.20%034%0.339CS..Hα-helixtrans-63.8-41.9176.7-68.9167.5000111.7F197 F201 S307 K313 R314 L315 L324 V332 F336F197-L311 HydrophobicContact CD2-CD1 4.15Å; F197-L311 HydrophobicContact CE2-CD1 3.7Å; F197-L311 HydrophobicContact CE2-CD2 3.93Å; F197-L311 HydrophobicContact CE2-CG 4.47Å; F197-L311 HydrophobicContact CZ-CD2 4.33Å; F201-L311 HydrophobicContact CD1-CB 4.06Å; F201-L311 HydrophobicContact CD2-CB 4.25Å; F201-L311 HydrophobicContact CD2-CD1 4.02Å; F201-L311 HydrophobicContact CE1-CB 3.69Å; F201-L311 HydrophobicContact CE2-CB 3.89Å; F201-L311 HydrophobicContact CE2-CD1 3.63Å; F201-L311 HydrophobicContact CE2-CG 4.4Å; F201-L311 HydrophobicContact CG-CB 4.33Å; F201-L311 HydrophobicContact CZ-CB 3.6Å; F201-L311 HydrophobicContact CZ-CD1 4.13Å; S307-L311 WeakPolarHBondContact O-CB 3.46Å; S307-L311 VanDerWaalsContact O-CG 3.25Å; S307-L311 WeakPolarHBondContact O-CG 3.47Å; S307-L311 PolarHBondContact O-N 3.13Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 3.4Å; L311-R314 WeakPolarHBondContact O-CB 3.37Å; L311-R314 PolarHBondContact O-N 2.99Å; L311-R314 VanDerWaalsContact O-N 3.16Å; L311-L315 PolarHBondContact O-N 3.25Å; L311-L324 HydrophobicContact CB-CD1 4.16Å; L311-L324 HydrophobicContact CD2-CD1 3.84Å; L311-V332 HydrophobicContact CD1-CG1 4.48Å; L311-V332 HydrophobicContact CD2-CG1 4.08Å; L311-V332 HydrophobicContact CG-CG1 3.84Å; L311-F336 HydrophobicContact CD1-CB 3.89Å; L311-F336 HydrophobicContact CD1-CD2 3.86Å; L311-F336 HydrophobicContact CD1-CG 3.99Å
312K85.6Confident85.5Confident96 Ų9664.5 Ų64.542%0.41735%0.346SS..Hα-helixtrans-59.1-44.9174.8-177.265.4177.286.80111.9F201 L308 R314 L315 D316F201-K312 HydrophobicContact CE1-CB 4.48Å; L308-K312 VanDerWaalsContact O-CB 3.27Å; L308-K312 WeakPolarHBondContact O-CB 3.46Å; L308-K312 PolarHBondContact O-N 2.98Å; K312-R314 VanDerWaalsContact C-N 3.31Å; K312-R314 PolarHBondContact O-N 3.26Å; K312-L315 WeakPolarHBondContact O-CB 3.32Å; K312-L315 PolarHBondContact O-N 3Å; K312-D316 IonicContact NZ-OD1 3.59Å; K312-D316 PolarHBondContact NZ-OD1 3.45Å; K312-D316 IonicContact NZ-OD2 3.25Å; K312-D316 PolarHBondContact NZ-OD2 3.25Å; K312-D316 PolarHBondContact O-N 2.79Å
313K90.3Very high85Confident161 Ų16166.6 Ų66.670%0.736%0.36SS*.Hα-helixtrans-62.6-37.5176.9-175.3-178.7177.7-176.40112.1R309 S310 L311 A317R309-K313 WeakPolarHBondContact O-CB 3.37Å; R309-K313 PolarHBondContact O-N 3.08Å; S310-K313 PolarHBondContact O-N 3.02Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 3.4Å; K313-A317 PolarHBondContact O-N 3.28Å
314R92.2Very high84.6Confident96 Ų9667.5 Ų67.536%0.36237%0.365SS..Hα-helixtrans-66.8-44.1175.2-70.4175.2-173.6-169.7-0.5111.5S310 L311 K312 A317 L318 L324 D330S310-R314 WeakPolarHBondContact O-CG 3.33Å; S310-R314 PolarHBondContact O-N 3.47Å; L311-R314 WeakPolarHBondContact O-CB 3.37Å; L311-R314 PolarHBondContact O-N 2.99Å; L311-R314 VanDerWaalsContact O-N 3.16Å; K312-R314 VanDerWaalsContact C-N 3.31Å; K312-R314 PolarHBondContact O-N 3.26Å; R314-A317 PolarHBondContact O-N 3.01Å; R314-L318 PolarHBondContact O-N 3.37Å; R314-L324 HydrophobicContact CB-CD1 4.33Å; R314-L324 HydrophobicContact CB-CD2 4.37Å; R314-D330 IonicContact CZ-OD1 2.61Å; R314-D330 IonicContact NH1-OD1 3.18Å; R314-D330 PolarHBondContact NH1-OD1 2.97Å; R314-D330 IonicContact NH1-OD2 2.67Å; R314-D330 PolarHBondContact NH1-OD2 3.48Å; R314-D330 IonicContact NH2-OD1 3.74Å
315L82.3Confident84.4Confident34 Ų3472.9 Ų72.918%0.17840%0.398CS..Hα-helixtrans-58.3-48.4175.4-176.167.4000111.1F201 L311 K312 A317 L318 A322 L324F201-L315 HydrophobicContact CD1-CD2 4.26Å; L311-L315 PolarHBondContact O-N 3.25Å; K312-L315 WeakPolarHBondContact O-CB 3.32Å; K312-L315 PolarHBondContact O-N 3Å; L315-A317 PolarHBondContact O-N 2.9Å; L315-L318 PolarHBondContact O-N 3.45Å; L315-L318 VanDerWaalsContact O-N 3.1Å; L315-A322 WeakPolarHBondContact CD1-O 3.31Å; L315-L324 HydrophobicContact CB-CD1 4.41Å; L315-L324 HydrophobicContact CB-CG 4.47Å; L315-L324 HydrophobicContact CD1-CG 4.31Å
316D84.5Confident84.4Confident101 Ų10175 Ų7554%0.5441%0.405SS..Hα-helixtrans-60.5-28.2178-73.2-30.1000113.5K312K312-D316 IonicContact NZ-OD1 3.59Å; K312-D316 PolarHBondContact NZ-OD1 3.45Å; K312-D316 IonicContact NZ-OD2 3.25Å; K312-D316 PolarHBondContact NZ-OD2 3.25Å; K312-D316 PolarHBondContact O-N 2.79Å
317A90.4Very high84.1Confident86 Ų8675 Ų7571%0.71141%0.405SS*.Hα-helixtrans-78-19.2179.300000113.7K313 R314 L315K313-A317 PolarHBondContact O-N 3.28Å; R314-A317 PolarHBondContact O-N 3.01Å; L315-A317 PolarHBondContact O-N 2.9Å
318L84.5Confident83.8Confident105 Ų10579 Ų7955%0.5542%0.422SS..Hα-helixtrans-84.2-16.4179.6-66.2172.2000113.1R314 L315 A322 L324R314-L318 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 3.45Å; L315-L318 VanDerWaalsContact O-N 3.1Å; L318-A322 HydrophobicContact CB-CB 3.3Å; L318-A322 HydrophobicContact CD1-CB 4.17Å; L318-A322 HydrophobicContact CG-CB 4.36Å; L318-L324 HydrophobicContact CD1-CD2 3.54Å
319G76.4Confident83.6Confident39 Ų3980.4 Ų80.440%0.40243%0.429SS..  trans95.6175.1-177.700000113.4A322G319-A322 WeakPolarHBondContact O-CB 3.44Å; G319-A322 PolarHBondContact O-N 3.13Å
320D69.1Low83.7Confident161 Ų16176.9 Ų76.986%0.86142%0.419SS*.THydrogen-bonded Turntrans-62.1144.7178.3-62-32.6000110.5A322D320-A322 PolarHBondContact O-N 3.43Å
321D67.8Low83.8Confident171 Ų17179.9 Ų79.991%0.91443%0.432SS*.THydrogen-bonded Turntrans66.31.6-176.5-54.6-35.3000117
322A74Confident84Confident35 Ų3581 Ų8129%0.28944%0.439SS..  trans-74148.7171.800000111.7L315 L318 G319 D320L315-A322 WeakPolarHBondContact CD1-O 3.31Å; L318-A322 HydrophobicContact CB-CB 3.3Å; L318-A322 HydrophobicContact CD1-CB 4.17Å; L318-A322 HydrophobicContact CG-CB 4.36Å; G319-A322 WeakPolarHBondContact O-CB 3.44Å; G319-A322 PolarHBondContact O-N 3.13Å; D320-A322 PolarHBondContact O-N 3.43Å
323C79.8Confident84.4Confident45 Ų4576.4 Ų76.430%0.30442%0.419SS..  trans-124.6148.5174.2630000110.7F201 L203F201-C323 CarbonylContact O-C 3.51Å; F201-C323 WeakPolarHBondContact O-CA 3.13Å; L203-C323 HydrophobicContact CD2-CB 4.22Å; L203-C323 HydrophobicContact CG-CB 4.19Å
324L84.4Confident84.7Confident23 Ų2369 Ų6912%0.1239%0.387CS..PPolyproline II helixtrans-87.1140.8167.4-58.3-177.6000109.7F197 F201 G202 L311 R314 L315 L318F197-L324 HydrophobicContact CE1-CB 4.37Å; F197-L324 HydrophobicContact CZ-CB 4.22Å; F201-L324 HydrophobicContact CB-CB 4.03Å; F201-L324 HydrophobicContact CB-CD1 4.05Å; F201-L324 HydrophobicContact CB-CG 4.25Å; F201-L324 HydrophobicContact CD1-CD1 4.42Å; F201-L324 HydrophobicContact CG-CD1 4.34Å; F201-L324 PolarHBondContact O-N 3.25Å; G202-L324 VanDerWaalsContact CA-O 3.31Å; G202-L324 WeakPolarHBondContact CA-O 3.3Å; L311-L324 HydrophobicContact CB-CD1 4.16Å; L311-L324 HydrophobicContact CD2-CD1 3.84Å; R314-L324 HydrophobicContact CB-CD1 4.33Å; R314-L324 HydrophobicContact CB-CD2 4.37Å; L315-L324 HydrophobicContact CB-CD1 4.41Å; L315-L324 HydrophobicContact CB-CG 4.47Å; L315-L324 HydrophobicContact CD1-CG 4.31Å; L318-L324 HydrophobicContact CD1-CD2 3.54Å
325T85.8Confident84.8Confident112 Ų11265.5 Ų65.569%0.68738%0.376SS*.PPolyproline II helixtrans-101136.1170.951.20000109.4D327T325-D327 PolarHBondContact O-N 3.06Å
326W86.3Confident85.4Confident55 Ų5563.9 Ų63.921%0.20837%0.367CS..PPolyproline II helixtrans-65127.7174.3178.379.3000110.5F197 K328 A362F197-W326 HydrophobicContact CD1-CB 3.84Å; F197-W326 HydrophobicContact CE1-CB 3.83Å; F197-W326 HydrophobicContact CZ-CB 4.48Å; W326-K328 HydrophobicContact CH2-CB 3.65Å; W326-K328 HydrophobicContact CZ2-CB 4.01Å; W326-K328 HydrophobicContact CZ3-CB 4.37Å; W326-A362 HydrophobicContact CH2-CB 4.35Å; W326-A362 VanDerWaalsContact CH2-O 3.24Å; W326-A362 WeakPolarHBondContact CH2-O 3.26Å; W326-A362 HydrophobicContact CZ2-CB 3.88Å
327D84.7Confident86Confident73 Ų7359.2 Ų59.239%0.3934%0.342SS..  trans-129.6134.7175.6-171.4-6.1000109.3T325 D329 D330T325-D327 PolarHBondContact O-N 3.06Å; D327-D329 PolarHBondContact O-N 2.78Å; D327-D329 PolarHBondContact OD1-N 3.41Å; D327-D330 HydrophobicContact CB-CB 4.09Å; D327-D330 PolarHBondContact O-N 2.83Å
328K85.6Confident86.3Confident85 Ų8555.1 Ų55.137%0.3731%0.308SS..THydrogen-bonded Turntrans-73.9-19.5178.174.4-169.4176.9-163.50112.2W326 V334W326-K328 HydrophobicContact CH2-CB 3.65Å; W326-K328 HydrophobicContact CZ2-CB 4.01Å; W326-K328 HydrophobicContact CZ3-CB 4.37Å; K328-V334 WeakPolarHBondContact O-CG2 3.4Å
329D83.9Confident86.8Confident62 Ų6250.1 Ų50.133%0.33228%0.282SS..THydrogen-bonded Turntrans-94-4178.9-65.5-76.8000111.4D327 D331D327-D329 PolarHBondContact O-N 2.78Å; D327-D329 PolarHBondContact OD1-N 3.41Å; D329-D331 PolarHBondContact O-N 2.88Å
330D90.2Very high87.6Confident36 Ų3649 Ų4919%0.19327%0.266CS..  trans-85.5104.4167.5179.24.5000111.1R314 D327 V332 A333 V334R314-D330 IonicContact CZ-OD1 2.61Å; R314-D330 IonicContact NH1-OD1 3.18Å; R314-D330 PolarHBondContact NH1-OD1 2.97Å; R314-D330 IonicContact NH1-OD2 2.67Å; R314-D330 PolarHBondContact NH1-OD2 3.48Å; R314-D330 IonicContact NH2-OD1 3.74Å; D327-D330 HydrophobicContact CB-CB 4.09Å; D327-D330 PolarHBondContact O-N 2.83Å; D330-V332 PolarHBondContact O-N 3.26Å; D330-V332 VanDerWaalsContact O-N 3.09Å; D330-V332 PolarHBondContact OD1-N 3.32Å; D330-A333 HydrophobicContact CB-CB 3.88Å; D330-A333 PolarHBondContact O-N 3.36Å; D330-V334 WeakPolarHBondContact O-CG2 3.31Å; D330-V334 PolarHBondContact O-N 3.04Å
331D92.4Very high88.9Confident102 Ų10241.3 Ų41.355%0.54523%0.225SC..Hα-helixtrans-52-36.6-179.2-87-36.6000113.8D329 D335 R355D329-D331 PolarHBondContact O-N 2.88Å; D331-D335 VanDerWaalsContact O-CB 3.31Å; D331-D335 WeakPolarHBondContact O-CB 3.37Å; D331-D335 PolarHBondContact O-N 3.12Å; D331-D335 VanDerWaalsContact O-OD1 3.12Å; D331-R355 PolarHBondContact O-NH2 3.29Å; D331-R355 IonicContact OD1-CZ 3.97Å; D331-R355 IonicContact OD1-NH1 2.76Å; D331-R355 IonicContact OD1-NH2 2.74Å; D331-R355 PolarHBondContact OD1-NH2 3Å
332V94.5Very high90.2Very high23 Ų2333.2 Ų33.214%0.13918%0.182CC..Hα-helixtrans-75.9-36.4-178.3179.70000111.1L311 D330 D335 F336L311-V332 HydrophobicContact CD1-CG1 4.48Å; L311-V332 HydrophobicContact CD2-CG1 4.08Å; L311-V332 HydrophobicContact CG-CG1 3.84Å; D330-V332 PolarHBondContact O-N 3.26Å; D330-V332 VanDerWaalsContact O-N 3.09Å; D330-V332 PolarHBondContact OD1-N 3.32Å; V332-D335 WeakPolarHBondContact O-CB 3.45Å; V332-D335 PolarHBondContact O-N 3Å; V332-F336 PolarHBondContact O-N 2.89Å
333A94.2Very high91Very high0 Ų033.4 Ų33.40%018%0.177CC..Hα-helixtrans-67.9-40.7173.500000111.1F197 D330 D335 F336 I337F197-A333 HydrophobicContact CE2-CB 3.83Å; F197-A333 HydrophobicContact CZ-CB 4.24Å; D330-A333 HydrophobicContact CB-CB 3.88Å; D330-A333 PolarHBondContact O-N 3.36Å; A333-D335 VanDerWaalsContact C-N 3.33Å; A333-D335 PolarHBondContact O-N 2.8Å; A333-F336 WeakPolarHBondContact O-CB 3.25Å; A333-F336 PolarHBondContact O-N 3.42Å; A333-I337 WeakPolarHBondContact O-CG1 3.36Å; A333-I337 PolarHBondContact O-N 3.44Å
334V95Very high91.4Very high6 Ų631.9 Ų31.94%0.03617%0.165CC..Hα-helixtrans-63.3-40.4174.3175.20000111.4K328 D330 I337 T338 R355K328-V334 WeakPolarHBondContact O-CG2 3.4Å; D330-V334 WeakPolarHBondContact O-CG2 3.31Å; D330-V334 PolarHBondContact O-N 3.04Å; V334-I337 PolarHBondContact O-N 3.42Å; V334-T338 VanDerWaalsContact O-CB 3.29Å; V334-T338 WeakPolarHBondContact O-CB 3.2Å; V334-T338 PolarHBondContact O-N 3.48Å; V334-T338 PolarHBondContact O-OG1 3.41Å; V334-R355 HydrophobicContact CG1-CG 4.14Å
335D95.9Very high91.7Very high22 Ų2230.8 Ų30.812%0.11816%0.16CC..Hα-helixtrans-61-45175.3-80.57.2000112.2R290 V303 D331 V332 A333 T338 A339 R355R290-D335 IonicContact CZ-OD1 2.93Å; R290-D335 IonicContact CZ-OD2 3.74Å; R290-D335 IonicContact NH1-OD1 2.92Å; R290-D335 IonicContact NH2-OD1 3.82Å; R290-D335 PolarHBondContact NH2-OD1 2.88Å; R290-D335 IonicContact NH2-OD2 3.87Å; R290-D335 PolarHBondContact NH2-OD2 3.13Å; V303-D335 HydrophobicContact CG1-CB 3.6Å; D331-D335 VanDerWaalsContact O-CB 3.31Å; D331-D335 WeakPolarHBondContact O-CB 3.37Å; D331-D335 PolarHBondContact O-N 3.12Å; D331-D335 VanDerWaalsContact O-OD1 3.12Å; V332-D335 WeakPolarHBondContact O-CB 3.45Å; V332-D335 PolarHBondContact O-N 3Å; A333-D335 VanDerWaalsContact C-N 3.33Å; A333-D335 PolarHBondContact O-N 2.8Å; D335-T338 PolarHBondContact O-N 2.98Å; D335-A339 VanDerWaalsContact O-CB 3.27Å; D335-A339 WeakPolarHBondContact O-CB 3.24Å; D335-A339 PolarHBondContact O-N 2.79Å; D335-R355 IonicContact OD1-CZ 3.56Å; D335-R355 IonicContact OD1-NE 2.85Å; D335-R355 PolarHBondContact OD1-NE 3.4Å; D335-R355 IonicContact OD1-NH2 2.73Å; D335-R355 PolarHBondContact OD1-NH2 3.16Å
336F94.7Very high91.7Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-56.4-53.4174176.1-84.1000110.9L196 F197 L200 F201 L308 L311 V332 A333 T338 A339 F340L196-F336 HydrophobicContact CB-CZ 4.42Å; L196-F336 HydrophobicContact CD2-CE1 4.43Å; L196-F336 HydrophobicContact CD2-CZ 3.84Å; L196-F336 HydrophobicContact CG-CE1 4.49Å; L196-F336 HydrophobicContact CG-CZ 3.92Å; F197-F336 HydrophobicContact CB-CD1 3.97Å; F197-F336 HydrophobicContact CB-CE1 3.57Å; F197-F336 HydrophobicContact CB-CZ 4.36Å; F197-F336 AromaticContact CD2-CD1 3.68Å; F197-F336 HydrophobicContact CD2-CD1 3.68Å; F197-F336 HydrophobicContact CD2-CE1 4.03Å; F197-F336 HydrophobicContact CD2-CG 4.13Å; F197-F336 HydrophobicContact CG-CD1 4.33Å; F197-F336 HydrophobicContact CG-CE1 4.3Å; L200-F336 HydrophobicContact CD1-CE2 4.16Å; L200-F336 HydrophobicContact CD1-CZ 4.04Å; F201-F336 HydrophobicContact CE2-CD2 4.17Å; F201-F336 AromaticContact CE2-CE2 3.79Å; F201-F336 HydrophobicContact CE2-CE2 3.79Å; F201-F336 HydrophobicContact CE2-CZ 4.33Å; L308-F336 HydrophobicContact CD2-CD2 4.28Å; L308-F336 HydrophobicContact CD2-CE2 3.71Å; L308-F336 HydrophobicContact CG-CE2 4.33Å; L311-F336 HydrophobicContact CD1-CB 3.89Å; L311-F336 HydrophobicContact CD1-CD2 3.86Å; L311-F336 HydrophobicContact CD1-CG 3.99Å; V332-F336 PolarHBondContact O-N 2.89Å; A333-F336 WeakPolarHBondContact O-CB 3.25Å; A333-F336 PolarHBondContact O-N 3.42Å; F336-T338 VanDerWaalsContact C-N 3.32Å; F336-T338 PolarHBondContact O-N 3.13Å; F336-A339 PolarHBondContact O-N 2.96Å; F336-F340 HydrophobicContact CD1-CD2 4.18Å; F336-F340 AromaticContact CD2-CD2 3.71Å; F336-F340 HydrophobicContact CD2-CD2 3.71Å; F336-F340 AromaticContact CD2-CE2 3.56Å; F336-F340 HydrophobicContact CD2-CE2 3.56Å; F336-F340 AromaticContact CE1-CD2 3.99Å; F336-F340 HydrophobicContact CE1-CD2 3.99Å; F336-F340 AromaticContact CE2-CD2 3.52Å; F336-F340 HydrophobicContact CE2-CD2 3.52Å; F336-F340 AromaticContact CE2-CE2 3.24Å; F336-F340 HydrophobicContact CE2-CE2 3.24Å; F336-F340 HydrophobicContact CE2-CZ 4.14Å; F336-F340 HydrophobicContact CG-CD2 4.03Å; F336-F340 HydrophobicContact CG-CE2 4.35Å; F336-F340 AromaticContact CZ-CD2 3.67Å; F336-F340 HydrophobicContact CZ-CD2 3.67Å; F336-F340 AromaticContact CZ-CE2 3.79Å; F336-F340 HydrophobicContact CZ-CE2 3.79Å; F336-F340 HydrophobicContact CZ-CG 4.41Å; F336-F340 WeakPolarHBondContact O-CD2 2.99Å; F336-F340 PolarHBondContact O-N 3.32Å
337I96.2Very high91.3Very high2 Ų228.9 Ų28.91%0.0115%0.151CC..Hα-helixtrans-60.8-43.6-179.5-63.7-60.4000111I190 S193 K194 F197 A333 V334 T341 I358 A362I190-I337 HydrophobicContact CG2-CG2 4.4Å; S193-I337 VanDerWaalsContact O-CD1 3.26Å; S193-I337 WeakPolarHBondContact O-CD1 3.44Å; K194-I337 HydrophobicContact CB-CD1 4.31Å; K194-I337 HydrophobicContact CG-CD1 3.8Å; F197-I337 HydrophobicContact CB-CD1 4.15Å; A333-I337 WeakPolarHBondContact O-CG1 3.36Å; A333-I337 PolarHBondContact O-N 3.44Å; V334-I337 PolarHBondContact O-N 3.42Å; I337-T341 WeakPolarHBondContact O-CB 3.43Å; I337-T341 PolarHBondContact O-N 2.89Å; I337-T341 PolarHBondContact O-OG1 3.41Å; I337-I358 HydrophobicContact CG2-CG2 3.82Å; I337-A362 HydrophobicContact CG2-CB 4.1Å
338T97Very high91Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-61.4-49.4-179.7-59.10000111.3W295 V334 D335 F336 N342 R355 I358W295-T338 HydrophobicContact CD2-CG2 4.07Å; W295-T338 HydrophobicContact CE3-CG2 3.66Å; W295-T338 HydrophobicContact CH2-CG2 3.66Å; W295-T338 HydrophobicContact CZ2-CG2 4.08Å; W295-T338 HydrophobicContact CZ3-CG2 3.41Å; W295-T338 VanDerWaalsContact CZ3-CG2 3.41Å; V334-T338 VanDerWaalsContact O-CB 3.29Å; V334-T338 WeakPolarHBondContact O-CB 3.2Å; V334-T338 PolarHBondContact O-N 3.48Å; V334-T338 PolarHBondContact O-OG1 3.41Å; D335-T338 PolarHBondContact O-N 2.98Å; F336-T338 VanDerWaalsContact C-N 3.32Å; F336-T338 PolarHBondContact O-N 3.13Å; T338-N342 WeakPolarHBondContact O-CB 3.26Å; T338-N342 PolarHBondContact O-N 3.5Å; T338-R355 HydrophobicContact CG2-CB 3.88Å; T338-R355 HydrophobicContact CG2-CG 4.13Å; T338-I358 HydrophobicContact CG2-CD1 3.93Å
339A95.3Very high90.8Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-62.8-52.8-178.500000111.8W295 C300 V303 A304 D335 F336 T341 N342 L343W295-A339 HydrophobicContact CZ3-CB 4.31Å; C300-A339 WeakPolarHBondContact O-CB 3.48Å; V303-A339 HydrophobicContact CB-CB 4.27Å; V303-A339 HydrophobicContact CG1-CB 4.19Å; A304-A339 HydrophobicContact CB-CB 3.89Å; D335-A339 VanDerWaalsContact O-CB 3.27Å; D335-A339 WeakPolarHBondContact O-CB 3.24Å; D335-A339 PolarHBondContact O-N 2.79Å; F336-A339 PolarHBondContact O-N 2.96Å; A339-T341 VanDerWaalsContact C-N 3.34Å; A339-T341 PolarHBondContact O-N 3.3Å; A339-N342 PolarHBondContact O-N 2.94Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 VanDerWaalsContact O-CG 3.24Å; A339-L343 WeakPolarHBondContact O-CG 3.37Å; A339-L343 PolarHBondContact O-N 3.1Å
340F93.6Very high90.8Very high16 Ų1628.8 Ų28.87%0.0715%0.147CC..Hα-helixtrans-67.3-34.1-178.9-81.3-78.3000113W192 L196 A304 L308 F336 R344W192-F340 HydrophobicContact CZ3-CB 4.33Å; W192-F340 HydrophobicContact CZ3-CD1 4.26Å; L196-F340 HydrophobicContact CD2-CB 4.31Å; L196-F340 HydrophobicContact CD2-CD1 3.43Å; L196-F340 VanDerWaalsContact CD2-CD1 3.43Å; L196-F340 HydrophobicContact CD2-CD2 4.2Å; L196-F340 HydrophobicContact CD2-CE1 3.69Å; L196-F340 HydrophobicContact CD2-CE2 4.43Å; L196-F340 HydrophobicContact CD2-CG 3.71Å; L196-F340 HydrophobicContact CD2-CZ 4.19Å; A304-F340 HydrophobicContact CB-CD2 4.49Å; A304-F340 HydrophobicContact CB-CE2 3.99Å; A304-F340 HydrophobicContact CB-CZ 4.19Å; L308-F340 HydrophobicContact CD1-CE2 4.37Å; L308-F340 HydrophobicContact CD1-CZ 3.98Å; L308-F340 HydrophobicContact CD2-CE2 4.42Å; L308-F340 HydrophobicContact CD2-CZ 4.47Å; L308-F340 HydrophobicContact CG-CE2 4.19Å; L308-F340 HydrophobicContact CG-CZ 4.28Å; F336-F340 HydrophobicContact CD1-CD2 4.18Å; F336-F340 AromaticContact CD2-CD2 3.71Å; F336-F340 HydrophobicContact CD2-CD2 3.71Å; F336-F340 AromaticContact CD2-CE2 3.56Å; F336-F340 HydrophobicContact CD2-CE2 3.56Å; F336-F340 AromaticContact CE1-CD2 3.99Å; F336-F340 HydrophobicContact CE1-CD2 3.99Å; F336-F340 AromaticContact CE2-CD2 3.52Å; F336-F340 HydrophobicContact CE2-CD2 3.52Å; F336-F340 AromaticContact CE2-CE2 3.24Å; F336-F340 HydrophobicContact CE2-CE2 3.24Å; F336-F340 HydrophobicContact CE2-CZ 4.14Å; F336-F340 HydrophobicContact CG-CD2 4.03Å; F336-F340 HydrophobicContact CG-CE2 4.35Å; F336-F340 AromaticContact CZ-CD2 3.67Å; F336-F340 HydrophobicContact CZ-CD2 3.67Å; F336-F340 AromaticContact CZ-CE2 3.79Å; F336-F340 HydrophobicContact CZ-CE2 3.79Å; F336-F340 HydrophobicContact CZ-CG 4.41Å; F336-F340 WeakPolarHBondContact O-CD2 2.99Å; F336-F340 PolarHBondContact O-N 3.32Å; F340-R344 WeakPolarHBondContact O-CB 3.17Å; F340-R344 PolarHBondContact O-N 3.12Å
341T95.7Very high91Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-61.3-51.2174.4-660000110.2C189 I190 S193 I337 A339 R344 S345 I358C189-T341 HydrophobicContact CB-CG2 3.93Å; I190-T341 WeakPolarHBondContact CA-OG1 3.34Å; I190-T341 HydrophobicContact CB-CG2 4.48Å; I190-T341 HydrophobicContact CD1-CG2 4.49Å; I190-T341 HydrophobicContact CG1-CG2 3.47Å; I190-T341 VanDerWaalsContact CG1-CG2 3.47Å; S193-T341 VanDerWaalsContact OG-CA 3.32Å; S193-T341 WeakPolarHBondContact OG-CA 3.46Å; S193-T341 PolarHBondContact OG-N 3.06Å; S193-T341 PolarHBondContact OG-OG1 2.73Å; S193-T341 VanDerWaalsContact OG-OG1 3.1Å; I337-T341 WeakPolarHBondContact O-CB 3.43Å; I337-T341 PolarHBondContact O-N 2.89Å; I337-T341 PolarHBondContact O-OG1 3.41Å; A339-T341 VanDerWaalsContact C-N 3.34Å; A339-T341 PolarHBondContact O-N 3.3Å; T341-R344 PolarHBondContact O-N 2.96Å; T341-S345 WeakPolarHBondContact O-CB 3.48Å; T341-S345 PolarHBondContact O-N 3.13Å; T341-S345 PolarHBondContact O-OG 3.06Å; T341-S345 VanDerWaalsContact O-OG 3.1Å; T341-I358 HydrophobicContact CG2-CD1 3.78Å; T341-I358 HydrophobicContact CG2-CG1 4.12Å
342N95.6Very high91.1Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-69.6-36.4-176.7-81-25.8000112.5T338 A339 R344 S345 H346 I352 L353 I358T338-N342 WeakPolarHBondContact O-CB 3.26Å; T338-N342 PolarHBondContact O-N 3.5Å; A339-N342 PolarHBondContact O-N 2.94Å; N342-R344 VanDerWaalsContact C-N 3.33Å; N342-R344 PolarHBondContact O-N 3.3Å; N342-S345 PolarHBondContact O-N 3.06Å; N342-H346 WeakPolarHBondContact O-CB 3.24Å; N342-H346 PolarHBondContact O-N 3.02Å; N342-I352 HydrophobicContact CB-CD1 4.43Å; N342-I352 HydrophobicContact CB-CG2 4.04Å; N342-I352 VanDerWaalsContact CG-CG2 3.47Å; N342-I352 WeakPolarHBondContact O-CD1 3.32Å; N342-I352 WeakPolarHBondContact OD1-CG2 3.11Å; N342-L353 PolarHBondContact ND2-O 2.9Å; N342-L353 PolarHBondContact OD1-N 3Å; N342-L353 PolarHBondContact OD1-O 3.02Å; N342-I358 WeakPolarHBondContact OD1-CD1 3.23Å
343L90.2Very high91.2Very high39 Ų3928.5 Ų28.520%0.20415%0.149CC..Hα-helixtrans-60.2-44.1171.8-70.4172000111.6L297 C300 I301 A304 A339 A347L297-L343 HydrophobicContact CD2-CD2 4.45Å; C300-L343 HydrophobicContact CB-CD2 3.85Å; C300-L343 HydrophobicContact CB-CG 3.92Å; I301-L343 HydrophobicContact CG1-CD2 3.91Å; A304-L343 HydrophobicContact CB-CD1 4.15Å; A339-L343 WeakPolarHBondContact O-CB 3.45Å; A339-L343 VanDerWaalsContact O-CG 3.24Å; A339-L343 WeakPolarHBondContact O-CG 3.37Å; A339-L343 PolarHBondContact O-N 3.1Å; L343-A347 PolarHBondContact O-N 2.77Å; L343-A347 VanDerWaalsContact O-N 3.17Å
344R88.9Confident91.3Very high13 Ų1328.7 Ų28.75%0.04915%0.151CC..Hα-helixtrans-68.4-47.2176.9-169.7172.6-178.288-2.2111.4I179 R180 C189 W192 F340 T341 N342 H346 A347 F348I179-R344 PolarHBondContact O-NH2 3Å; R180-R344 PolarHBondContact O-NH2 3.47Å; C189-R344 HydrophobicContact CB-CB 4.2Å; C189-R344 HydrophobicContact CB-CG 4.29Å; W192-R344 VanDerWaalsContact CG-CZ 3.41Å; W192-R344 VanDerWaalsContact CG-NE 3.28Å; W192-R344 VanDerWaalsContact NE1-CZ 3.3Å; F340-R344 WeakPolarHBondContact O-CB 3.17Å; F340-R344 PolarHBondContact O-N 3.12Å; T341-R344 PolarHBondContact O-N 2.96Å; N342-R344 VanDerWaalsContact C-N 3.33Å; N342-R344 PolarHBondContact O-N 3.3Å; R344-H346 VanDerWaalsContact C-N 3.27Å; R344-H346 PolarHBondContact O-N 3.18Å; R344-A347 WeakPolarHBondContact O-CB 3.38Å; R344-A347 PolarHBondContact O-N 3.14Å; R344-F348 HydrophobicContact CG-CD2 3.92Å; R344-F348 HydrophobicContact CG-CE2 3.81Å; R344-F348 VanDerWaalsContact O-CD2 3.3Å; R344-F348 WeakPolarHBondContact O-CD2 3.3Å; R344-F348 PolarHBondContact O-N 3.05Å; R344-F348 VanDerWaalsContact O-N 3.16Å
345S89.3Confident91.3Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-54.5-44.2176.4-70.50000111.6C189 T341 N342 A347 F348 H349 L350C189-S345 PolarHBondContact SG-OG 3Å; T341-S345 WeakPolarHBondContact O-CB 3.48Å; T341-S345 PolarHBondContact O-N 3.13Å; T341-S345 PolarHBondContact O-OG 3.06Å; T341-S345 VanDerWaalsContact O-OG 3.1Å; N342-S345 PolarHBondContact O-N 3.06Å; S345-A347 PolarHBondContact O-N 2.82Å; S345-F348 CarbonylContact O-C 3.51Å; S345-F348 PolarHBondContact O-N 2.68Å; S345-H349 PolarHBondContact O-N 2.82Å; S345-H349 VanDerWaalsContact O-N 3.13Å; S345-L350 PolarHBondContact O-N 3.23Å
346H85.7Confident91.1Very high93 Ų9333.9 Ų33.943%0.43117%0.172SC..Hα-helixtrans-59-45.1174.4-178.1-100.7000112.5L297 N342 R344 F348 H349 I352L297-H346 VanDerWaalsContact CD1-CE1 3.47Å; L297-H346 WeakPolarHBondContact CD1-CE1 3.41Å; L297-H346 HydrophobicContact CD2-CB 3.74Å; N342-H346 WeakPolarHBondContact O-CB 3.24Å; N342-H346 PolarHBondContact O-N 3.02Å; R344-H346 VanDerWaalsContact C-N 3.27Å; R344-H346 PolarHBondContact O-N 3.18Å; H346-F348 PolarHBondContact O-N 2.96Å; H346-H349 PolarHBondContact O-N 3.46Å; H346-H349 VanDerWaalsContact O-N 3.1Å; H346-I352 HydrophobicContact CB-CD1 3.87Å
347A78.9Confident91Very high35 Ų3537.8 Ų37.829%0.28919%0.19SC..Hα-helixtrans-62.1-25.5-179.900000113.6L343 R344 S345L343-A347 PolarHBondContact O-N 2.77Å; L343-A347 VanDerWaalsContact O-N 3.17Å; R344-A347 WeakPolarHBondContact O-CB 3.38Å; R344-A347 PolarHBondContact O-N 3.14Å; S345-A347 PolarHBondContact O-N 2.82Å
348F77.7Confident91Very high33 Ų3337.7 Ų37.715%0.14519%0.189CC..THydrogen-bonded Turntrans-105.112.8177.2-70.1-86.7000113.8P183 F251 R344 S345 H346 L350P183-F348 VanDerWaalsContact CD-CE1 3.43Å; P183-F348 VanDerWaalsContact CD-CZ 3.45Å; P183-F348 HydrophobicContact CG-CB 4.3Å; P183-F348 HydrophobicContact CG-CD1 3.71Å; P183-F348 HydrophobicContact CG-CD2 3.42Å; P183-F348 VanDerWaalsContact CG-CD2 3.42Å; P183-F348 HydrophobicContact CG-CE1 3.69Å; P183-F348 HydrophobicContact CG-CE2 3.42Å; P183-F348 VanDerWaalsContact CG-CE2 3.42Å; P183-F348 HydrophobicContact CG-CG 3.55Å; P183-F348 HydrophobicContact CG-CZ 3.51Å; F251-F348 HydrophobicContact CB-CE1 3.81Å; F251-F348 HydrophobicContact CB-CZ 3.61Å; F251-F348 AromaticContact CD2-CE1 3.91Å; F251-F348 HydrophobicContact CD2-CE1 3.91Å; F251-F348 AromaticContact CD2-CE2 3.75Å; F251-F348 HydrophobicContact CD2-CE2 3.75Å; F251-F348 AromaticContact CD2-CZ 3.15Å; F251-F348 HydrophobicContact CD2-CZ 3.15Å; F251-F348 HydrophobicContact CE2-CE2 4.1Å; F251-F348 AromaticContact CE2-CZ 3.95Å; F251-F348 HydrophobicContact CE2-CZ 3.95Å; F251-F348 HydrophobicContact CG-CE1 4.29Å; F251-F348 AromaticContact CG-CZ 3.65Å; F251-F348 HydrophobicContact CG-CZ 3.65Å; R344-F348 HydrophobicContact CG-CD2 3.92Å; R344-F348 HydrophobicContact CG-CE2 3.81Å; R344-F348 VanDerWaalsContact O-CD2 3.3Å; R344-F348 WeakPolarHBondContact O-CD2 3.3Å; R344-F348 PolarHBondContact O-N 3.05Å; R344-F348 VanDerWaalsContact O-N 3.16Å; S345-F348 CarbonylContact O-C 3.51Å; S345-F348 PolarHBondContact O-N 2.68Å; H346-F348 PolarHBondContact O-N 2.96Å; F348-L350 HydrophobicContact CB-CD1 4.17Å; F348-L350 HydrophobicContact CB-CG 4.05Å; F348-L350 PolarHBondContact O-N 3.4Å
349H81.6Confident90.7Very high158 Ų15838.7 Ų38.773%0.73120%0.196SC*.THydrogen-bonded Turntrans55.136-177.9-52.8-67.2000113.6S345 H346S345-H349 PolarHBondContact O-N 2.82Å; S345-H349 VanDerWaalsContact O-N 3.13Å; H346-H349 PolarHBondContact O-N 3.46Å; H346-H349 VanDerWaalsContact O-N 3.1Å
350L84.9Confident90.3Very high26 Ų2640.1 Ų40.114%0.13621%0.206CC..PPolyproline II helixtrans-92.2156.3173.7-60.1175.7000110.6P183 S184 S345 F348 I352P183-L350 HydrophobicContact CB-CD1 4.39Å; S184-L350 WeakPolarHBondContact O-CD2 3.37Å; S345-L350 PolarHBondContact O-N 3.23Å; F348-L350 HydrophobicContact CB-CD1 4.17Å; F348-L350 HydrophobicContact CB-CG 4.05Å; F348-L350 PolarHBondContact O-N 3.4Å; L350-I352 PolarHBondContact O-N 2.98Å
351P93.3Very high90.1Very high85 Ų8543.2 Ų43.255%0.55222%0.223SC*.PPolyproline II helixtrans-55.1133.6174.5-25.334.7000112.3
352I94.3Very high89.8Confident47 Ų4743.5 Ų43.524%0.24123%0.225CC..PPolyproline II helixtrans-79.1129.9170.1-54.1-56.7000107.8P294 N342 H346 L350P294-I352 HydrophobicContact CB-CB 4.32Å; P294-I352 HydrophobicContact CB-CG2 3.87Å; N342-I352 HydrophobicContact CB-CD1 4.43Å; N342-I352 HydrophobicContact CB-CG2 4.04Å; N342-I352 VanDerWaalsContact CG-CG2 3.47Å; N342-I352 WeakPolarHBondContact O-CD1 3.32Å; N342-I352 WeakPolarHBondContact OD1-CG2 3.11Å; H346-I352 HydrophobicContact CB-CD1 3.87Å; L350-I352 PolarHBondContact O-N 2.98Å
353L96.6Very high89Confident23 Ų2344.1 Ų44.112%0.1223%0.232CC..  trans-104.2156-179.3-61.7-175.7000110.3P186 N342 E357 I358 L361P186-L353 HydrophobicContact CB-CD1 3.57Å; P186-L353 HydrophobicContact CB-CG 4.1Å; P186-L353 HydrophobicContact CG-CD1 4.23Å; P186-L353 HydrophobicContact CG-CG 4.4Å; N342-L353 PolarHBondContact ND2-O 2.9Å; N342-L353 PolarHBondContact OD1-N 3Å; N342-L353 PolarHBondContact OD1-O 3.02Å; L353-E357 HydrophobicContact CB-CB 4.1Å; L353-E357 HydrophobicContact CD1-CB 4.47Å; L353-I358 HydrophobicContact CB-CD1 3.97Å; L353-I358 HydrophobicContact CB-CG1 3.74Å; L353-I358 HydrophobicContact CD1-CG1 4.34Å; L353-L361 HydrophobicContact CD1-CD1 3.95Å
354S96.6Very high88.4Confident4 Ų448.5 Ų48.53%0.02825%0.249CC..BIsolated β-bridgetrans-68.316217164.30000111.7E291 E292 F356 E357 I358E291-S354 WeakPolarHBondContact O-CB 3.3Å; E292-S354 VanDerWaalsContact O-CB 3.3Å; E292-S354 WeakPolarHBondContact O-CB 3.41Å; S354-F356 PolarHBondContact O-N 2.96Å; S354-E357 WeakPolarHBondContact CB-OE2 3.35Å; S354-E357 PolarHBondContact N-OE2 3.43Å; S354-E357 PolarHBondContact O-N 3.39Å; S354-E357 WeakPolarHBondContact OG-CB 3.32Å; S354-E357 VanDerWaalsContact OG-CG 3.23Å; S354-E357 WeakPolarHBondContact OG-CG 3.3Å; S354-E357 PolarHBondContact OG-N 3.39Å; S354-E357 PolarHBondContact OG-OE2 3.26Å; S354-I358 PolarHBondContact O-N 2.97Å
355R95.3Very high87.2Confident13 Ų1351.6 Ų51.65%0.04927%0.266CS..Hα-helixtrans-58-40.5173.7-178.6176.4-175.2-90.86.3111.3R290 E291 W295 D331 V334 D335 T338 I358 S359R290-R355 VanDerWaalsContact NH1-CD 3.35Å; E291-R355 PolarHBondContact O-N 2.7Å; E291-R355 WeakPolarHBondContact OE1-CD 3.44Å; E291-R355 IonicContact OE1-CZ 3.89Å; E291-R355 IonicContact OE1-NE 3.77Å; E291-R355 IonicContact OE1-NH1 3.45Å; E291-R355 PolarHBondContact OE1-NH1 3.45Å; E291-R355 IonicContact OE2-CZ 3.74Å; E291-R355 IonicContact OE2-NH1 2.78Å; E291-R355 PolarHBondContact OE2-NH1 2.78Å; W295-R355 HydrophobicContact CH2-CG 4.49Å; W295-R355 HydrophobicContact CZ2-CB 3.89Å; W295-R355 HydrophobicContact CZ2-CG 4.14Å; D331-R355 PolarHBondContact O-NH2 3.29Å; D331-R355 IonicContact OD1-CZ 3.97Å; D331-R355 IonicContact OD1-NH1 2.76Å; D331-R355 IonicContact OD1-NH2 2.74Å; D331-R355 PolarHBondContact OD1-NH2 3Å; V334-R355 HydrophobicContact CG1-CG 4.14Å; D335-R355 IonicContact OD1-CZ 3.56Å; D335-R355 IonicContact OD1-NE 2.85Å; D335-R355 PolarHBondContact OD1-NE 3.4Å; D335-R355 IonicContact OD1-NH2 2.73Å; D335-R355 PolarHBondContact OD1-NH2 3.16Å; T338-R355 HydrophobicContact CG2-CB 3.88Å; T338-R355 HydrophobicContact CG2-CG 4.13Å; R355-I358 PolarHBondContact O-N 2.87Å; R355-S359 VanDerWaalsContact O-CB 3.3Å; R355-S359 WeakPolarHBondContact O-CB 3.46Å; R355-S359 PolarHBondContact O-N 3.4Å
356F91.9Very high86.1Confident125 Ų12555.2 Ų55.255%0.54829%0.288SS..Hα-helixtrans-61.8-45.5178.6179.8-96.9000112.6E291 S354 S360E291-F356 VanDerWaalsContact O-CB 3.25Å; E291-F356 WeakPolarHBondContact O-CB 3.16Å; E291-F356 PolarHBondContact O-N 3.47Å; S354-F356 PolarHBondContact O-N 2.96Å; F356-S360 VanDerWaalsContact O-CB 3.32Å; F356-S360 WeakPolarHBondContact O-CB 3.17Å; F356-S360 PolarHBondContact O-N 3.07Å; F356-S360 PolarHBondContact O-OG 3.13Å
357E93.2Very high85.3Confident82 Ų8254.7 Ų54.738%0.38329%0.293SS..Hα-helixtrans-64.3-43.7177.6-73.9167.8120.600111.7L353 S354 S360 L361L353-E357 HydrophobicContact CB-CB 4.1Å; L353-E357 HydrophobicContact CD1-CB 4.47Å; S354-E357 WeakPolarHBondContact CB-OE2 3.35Å; S354-E357 PolarHBondContact N-OE2 3.43Å; S354-E357 PolarHBondContact O-N 3.39Å; S354-E357 WeakPolarHBondContact OG-CB 3.32Å; S354-E357 VanDerWaalsContact OG-CG 3.23Å; S354-E357 WeakPolarHBondContact OG-CG 3.3Å; S354-E357 PolarHBondContact OG-N 3.39Å; S354-E357 PolarHBondContact OG-OE2 3.26Å; E357-S360 PolarHBondContact O-N 2.79Å; E357-L361 WeakPolarHBondContact O-CG 3.46Å; E357-L361 PolarHBondContact O-N 3.26Å
358I94.7Very high84.8Confident0 Ų054.5 Ų54.50%029%0.291CS..Hα-helixtrans-66.3-46.1179.3-69.4167.1000110.9I190 I337 T338 T341 N342 L353 S354 R355 S360 L361 A362I190-I358 HydrophobicContact CD1-CG1 4.3Å; I190-I358 HydrophobicContact CD1-CG2 4.28Å; I190-I358 HydrophobicContact CG1-CG2 4.18Å; I337-I358 HydrophobicContact CG2-CG2 3.82Å; T338-I358 HydrophobicContact CG2-CD1 3.93Å; T341-I358 HydrophobicContact CG2-CD1 3.78Å; T341-I358 HydrophobicContact CG2-CG1 4.12Å; N342-I358 WeakPolarHBondContact OD1-CD1 3.23Å; L353-I358 HydrophobicContact CB-CD1 3.97Å; L353-I358 HydrophobicContact CB-CG1 3.74Å; L353-I358 HydrophobicContact CD1-CG1 4.34Å; S354-I358 PolarHBondContact O-N 2.97Å; R355-I358 PolarHBondContact O-N 2.87Å; I358-S360 VanDerWaalsContact C-N 3.29Å; I358-S360 PolarHBondContact O-N 3.37Å; I358-L361 PolarHBondContact O-N 3.22Å; I358-A362 WeakPolarHBondContact O-CB 3.25Å; I358-A362 PolarHBondContact O-N 2.84Å
359S91.4Very high84.9Confident20 Ų2055.5 Ų55.514%0.1430%0.3CS..Hα-helixtrans-58.2-43.5175.9-179.10000111.5R355 L361 A362 G363R355-S359 VanDerWaalsContact O-CB 3.3Å; R355-S359 WeakPolarHBondContact O-CB 3.46Å; R355-S359 PolarHBondContact O-N 3.4Å; S359-L361 PolarHBondContact O-N 3.23Å; S359-A362 PolarHBondContact O-N 3.44Å; S359-G363 PolarHBondContact O-N 3.22Å
360S87.3Confident85.2Confident30 Ų3049.8 Ų49.821%0.2128%0.28CS..Hα-helixtrans-61-44.5177.6-62.80000112.9F356 E357 I358 K364 I365F356-S360 VanDerWaalsContact O-CB 3.32Å; F356-S360 WeakPolarHBondContact O-CB 3.17Å; F356-S360 PolarHBondContact O-N 3.07Å; F356-S360 PolarHBondContact O-OG 3.13Å; E357-S360 PolarHBondContact O-N 2.79Å; I358-S360 VanDerWaalsContact C-N 3.29Å; I358-S360 PolarHBondContact O-N 3.37Å; S360-K364 PolarHBondContact O-N 3.39Å; S360-I365 PolarHBondContact O-N 3.1Å
361L89.8Confident85.6Confident82 Ų8253.4 Ų53.443%0.42930%0.303SS..Hα-helixtrans-73-42.4178.7-71.6172.2000112.2I187 I190 L353 E357 I358 S359 K364I187-L361 HydrophobicContact CD1-CB 4.21Å; I190-L361 HydrophobicContact CD1-CB 3.51Å; I190-L361 HydrophobicContact CD1-CD1 3.64Å; I190-L361 HydrophobicContact CD1-CG 4.24Å; L353-L361 HydrophobicContact CD1-CD1 3.95Å; E357-L361 WeakPolarHBondContact O-CG 3.46Å; E357-L361 PolarHBondContact O-N 3.26Å; I358-L361 PolarHBondContact O-N 3.22Å; S359-L361 PolarHBondContact O-N 3.23Å; L361-K364 PolarHBondContact O-N 3.2Å
362A88.6Confident85.4Confident5 Ų549.9 Ų49.94%0.04128%0.282CS..Hα-helixtrans-66.9-39.3-178.900000112.5I190 K194 W326 I337 I358 S359I190-A362 HydrophobicContact CG2-CB 3.67Å; K194-A362 PolarHBondContact NZ-O 3.21Å; K194-A362 VanDerWaalsContact NZ-O 3.17Å; W326-A362 HydrophobicContact CH2-CB 4.35Å; W326-A362 VanDerWaalsContact CH2-O 3.24Å; W326-A362 WeakPolarHBondContact CH2-O 3.26Å; W326-A362 HydrophobicContact CZ2-CB 3.88Å; I337-A362 HydrophobicContact CG2-CB 4.1Å; I358-A362 WeakPolarHBondContact O-CB 3.25Å; I358-A362 PolarHBondContact O-N 2.84Å; S359-A362 PolarHBondContact O-N 3.44Å
363G79.8Confident85.4Confident14 Ų1447.9 Ų47.914%0.14427%0.271CS..THydrogen-bonded Turntrans-88.34.8177.100000115.6S359 I365S359-G363 PolarHBondContact O-N 3.22Å; G363-I365 PolarHBondContact O-N 3.32Å; G363-I365 VanDerWaalsContact O-N 3.13Å
364K76.8Confident85.4Confident131 Ų13148.3 Ų48.357%0.5728%0.278SS*.THydrogen-bonded Turntrans48.140.9-176.8-62176.2173175.90110.9E171 S360 L361 V366E171-K364 IonicContact OE1-NZ 3.61Å; E171-K364 PolarHBondContact OE1-NZ 3.45Å; E171-K364 IonicContact OE2-NZ 3.86Å; E171-K364 PolarHBondContact OE2-NZ 2.79Å; S360-K364 PolarHBondContact O-N 3.39Å; L361-K364 PolarHBondContact O-N 3.2Å; K364-V366 PolarHBondContact O-N 3.43Å; K364-V366 VanDerWaalsContact O-N 3.11Å
365I64.6Low85.4Confident77 Ų7752.5 Ų52.540%0.39530%0.304SS..PPolyproline II helixtrans-65116.5-170.3-60.7-174.9000109.3S360 G363 P367S360-I365 PolarHBondContact O-N 3.1Å; G363-I365 PolarHBondContact O-N 3.32Å; G363-I365 VanDerWaalsContact O-N 3.13Å; I365-P367 WeakPolarHBondContact O-CD 3.38Å
366V66.3Low85.4Confident76 Ų7652.4 Ų52.446%0.46130%0.304SS..PPolyproline II helixtrans-85.3118.9170.1-1760000107.7R146 K364 A368R146-V366 HydrophobicContact CB-CG1 3.79Å; R146-V366 HydrophobicContact CG-CG1 3.66Å; K364-V366 PolarHBondContact O-N 3.43Å; K364-V366 VanDerWaalsContact O-N 3.11Å; V366-A368 PolarHBondContact O-N 2.74Å
367P67Low85.7Confident83 Ų8346.4 Ų46.454%0.53928%0.278SS..PPolyproline II helixtrans-55.1138.1174-2433.4000109.6G147 I365G147-P367 VanDerWaalsContact CA-O 3.31Å; G147-P367 WeakPolarHBondContact CA-O 3.41Å; G147-P367 PolarHBondContact N-O 2.78Å; I365-P367 WeakPolarHBondContact O-CD 3.38Å
368A69.2Low85.9Confident30 Ų3043.8 Ų43.825%0.24827%0.272CS..BIsolated β-bridgetrans-133.5129.8-17900000109.8V366V366-A368 PolarHBondContact O-N 2.74Å
369V79.2Confident86.1Confident54 Ų5447.5 Ų47.533%0.32729%0.292SS..  trans-115.9128.7-176.9-174.30000108.4G147 T371 A372 N373G147-V369 WeakPolarHBondContact O-CG2 3.49Å; V369-T371 VanDerWaalsContact C-N 3.26Å; V369-T371 WeakPolarHBondContact CG1-OG1 3.22Å; V369-T371 PolarHBondContact O-N 2.83Å; V369-A372 HydrophobicContact CB-CB 4.3Å; V369-A372 PolarHBondContact O-N 2.89Å; V369-A372 VanDerWaalsContact O-N 3.09Å; V369-N373 PolarHBondContact O-N 2.77Å
370A88.3Confident86.3Confident38 Ų3846.6 Ų46.631%0.31429%0.286SS..Hα-helixtrans-54.4-42.2-177.600000112.5R58 A372 N373 A374R58-A370 HydrophobicContact CB-CB 4.21Å; A370-A372 PolarHBondContact O-N 2.99Å; A370-N373 PolarHBondContact O-N 3.23Å; A370-A374 PolarHBondContact O-N 3.26Å
371T94.1Very high86.8Confident102 Ų10245.7 Ų45.763%0.62628%0.279SS*.Hα-helixtrans-64.9-36.2179.355.90000113.1V369 A374 V375V369-T371 VanDerWaalsContact C-N 3.26Å; V369-T371 WeakPolarHBondContact CG1-OG1 3.22Å; V369-T371 PolarHBondContact O-N 2.83Å; T371-A374 PolarHBondContact O-N 3.33Å; T371-V375 WeakPolarHBondContact O-CG2 3.38Å; T371-V375 PolarHBondContact O-N 3.39Å
372A89.2Confident87.1Confident12 Ų1247.2 Ų47.210%0.09929%0.285CS..Hα-helixtrans-66-43.1175.400000110.8T145 G147 V369 A370 A374 V375 I376T145-A372 HydrophobicContact CG2-CB 4.44Å; G147-A372 WeakPolarHBondContact O-CB 3Å; V369-A372 HydrophobicContact CB-CB 4.3Å; V369-A372 PolarHBondContact O-N 2.89Å; V369-A372 VanDerWaalsContact O-N 3.09Å; A370-A372 PolarHBondContact O-N 2.99Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A372-A374 PolarHBondContact O-N 3.03Å; A372-V375 PolarHBondContact O-N 3.16Å; A372-I376 WeakPolarHBondContact O-CG1 3.31Å; A372-I376 PolarHBondContact O-N 3.09Å
373N93Very high87.3Confident4 Ų450.5 Ų50.52%0.02130%0.298CS..Hα-helixtrans-60.9-42.9175.5-64.4-23.1000111.8G26 I27 T145 V369 A370 I376 A377G26-N373 WeakPolarHBondContact CA-ND2 3.47Å; I27-N373 HydrophobicContact CG1-CB 4.17Å; T145-N373 WeakPolarHBondContact CG2-OD1 3.49Å; T145-N373 PolarHBondContact OG1-OD1 3.29Å; V369-N373 PolarHBondContact O-N 2.77Å; A370-N373 PolarHBondContact O-N 3.23Å; N373-I376 PolarHBondContact O-N 2.92Å; N373-A377 VanDerWaalsContact O-CB 3.31Å; N373-A377 WeakPolarHBondContact O-CB 3.47Å; N373-A377 PolarHBondContact O-N 3.29Å
374A96.7Very high88Confident33 Ų3349.8 Ų49.827%0.27329%0.291SS..Hα-helixtrans-63-42.7177.700000112.6E30 A370 T371 A372 A377 G378E30-A374 HydrophobicContact CG-CB 4.22Å; A370-A374 PolarHBondContact O-N 3.26Å; T371-A374 PolarHBondContact O-N 3.33Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A372-A374 PolarHBondContact O-N 3.03Å; A374-A377 PolarHBondContact O-N 2.9Å; A374-G378 PolarHBondContact O-N 3.2Å
375V96.9Very high88.7Confident92 Ų9245.6 Ų45.656%0.55828%0.275SS*.Hα-helixtrans-62.3-47.1176.2170.10000111T371 A372 G378 L379T371-V375 WeakPolarHBondContact O-CG2 3.38Å; T371-V375 PolarHBondContact O-N 3.39Å; A372-V375 PolarHBondContact O-N 3.16Å; V375-G378 PolarHBondContact O-N 3.2Å; V375-L379 HydrophobicContact CG1-CD1 4.28Å; V375-L379 WeakPolarHBondContact O-CG 3.45Å; V375-L379 PolarHBondContact O-N 3.44Å
376I96.4Very high89.9Confident10 Ų1047 Ų475%0.05128%0.28CS..Hα-helixtrans-64.8-40.3179.5-66.4-48.7000111.6I27 C143 T145 V152 A372 N373 L379 A380I27-I376 HydrophobicContact CD1-CG2 4.2Å; I27-I376 HydrophobicContact CG2-CG2 4.32Å; C143-I376 HydrophobicContact CB-CG2 3.81Å; T145-I376 HydrophobicContact CG2-CB 4.04Å; T145-I376 HydrophobicContact CG2-CG1 3.52Å; T145-I376 HydrophobicContact CG2-CG2 4.44Å; V152-I376 HydrophobicContact CG2-CD1 4.39Å; V152-I376 HydrophobicContact CG2-CG2 3.73Å; V152-I376 WeakPolarHBondContact CG2-O 3.4Å; A372-I376 WeakPolarHBondContact O-CG1 3.31Å; A372-I376 PolarHBondContact O-N 3.09Å; N373-I376 PolarHBondContact O-N 2.92Å; I376-L379 HydrophobicContact CD1-CD1 4.23Å; I376-L379 PolarHBondContact O-N 3.47Å; I376-A380 WeakPolarHBondContact O-CB 3.42Å; I376-A380 PolarHBondContact O-N 3.34Å
377A97.8Very high90.9Very high0 Ų045 Ų450%027%0.266CS..Hα-helixtrans-62.9-41.8175.700000113E30 I31 D34 N373 A374 A380 T381E30-A377 HydrophobicContact CB-CB 3.31Å; E30-A377 HydrophobicContact CG-CB 4.49Å; I31-A377 HydrophobicContact CG1-CB 3.63Å; D34-A377 WeakPolarHBondContact OD2-CB 3.43Å; N373-A377 VanDerWaalsContact O-CB 3.31Å; N373-A377 WeakPolarHBondContact O-CB 3.47Å; N373-A377 PolarHBondContact O-N 3.29Å; A374-A377 PolarHBondContact O-N 2.9Å; A377-A380 PolarHBondContact O-N 3.03Å; A377-T381 WeakPolarHBondContact O-CB 3.31Å; A377-T381 PolarHBondContact O-N 3.38Å; A377-T381 PolarHBondContact O-OG1 2.92Å
378G97.6Very high91.7Very high26 Ų2641.5 Ų41.527%0.26824%0.243SC..Hα-helixtrans-62.7-44.417500000112.3D34 A374 V375 T381 M382D34-G378 PolarHBondContact OD2-N 3.23Å; A374-G378 PolarHBondContact O-N 3.2Å; V375-G378 PolarHBondContact O-N 3.2Å; G378-T381 PolarHBondContact O-N 2.85Å; G378-M382 WeakPolarHBondContact O-CG 3.31Å; G378-M382 PolarHBondContact O-N 2.75Å
379L97.4Very high92Very high78 Ų7846.7 Ų46.741%0.40826%0.26SS..Hα-helixtrans-61.3-44.1174.5-70176.4000112V152 V375 I376 T381 M382 K383V152-L379 HydrophobicContact CB-CB 4.49Å; V152-L379 HydrophobicContact CG2-CB 3.76Å; V375-L379 HydrophobicContact CG1-CD1 4.28Å; V375-L379 WeakPolarHBondContact O-CG 3.45Å; V375-L379 PolarHBondContact O-N 3.44Å; I376-L379 HydrophobicContact CD1-CD1 4.23Å; I376-L379 PolarHBondContact O-N 3.47Å; L379-T381 VanDerWaalsContact C-N 3.34Å; L379-T381 PolarHBondContact O-N 3.37Å; L379-M382 HydrophobicContact CD2-CE 3.57Å; L379-M382 HydrophobicContact CG-CE 4.45Å; L379-M382 PolarHBondContact O-N 2.97Å; L379-K383 PolarHBondContact O-N 2.65Å
380A97.2Very high91.1Very high2 Ų246 Ų462%0.01726%0.264CS..Hα-helixtrans-62.1-42177.500000111.9I31 I141 C143 V152 I376 A377 K383 A384I31-A380 HydrophobicContact CD1-CB 4.27Å; I141-A380 WeakPolarHBondContact CD1-O 3.36Å; I141-A380 HydrophobicContact CG2-CB 4.07Å; C143-A380 WeakPolarHBondContact SG-CB 3.41Å; V152-A380 HydrophobicContact CG1-CB 4.24Å; V152-A380 HydrophobicContact CG2-CB 4.3Å; I376-A380 WeakPolarHBondContact O-CB 3.42Å; I376-A380 PolarHBondContact O-N 3.34Å; A377-A380 PolarHBondContact O-N 3.03Å; A380-K383 PolarHBondContact O-N 3.37Å; A380-A384 PolarHBondContact O-N 2.73Å
381T96.9Very high89.4Confident11 Ų1150.7 Ų50.77%0.06728%0.279CS..Hα-helixtrans-65.2-39.5176.9-580000111.6D34 L35 A38 A377 G378 L379 A384 I385D34-T381 HydrophobicContact CB-CG2 4.05Å; D34-T381 WeakPolarHBondContact CB-OG1 3.47Å; L35-T381 HydrophobicContact CD2-CG2 4.31Å; A38-T381 HydrophobicContact CB-CG2 3.87Å; A377-T381 WeakPolarHBondContact O-CB 3.31Å; A377-T381 PolarHBondContact O-N 3.38Å; A377-T381 PolarHBondContact O-OG1 2.92Å; G378-T381 PolarHBondContact O-N 2.85Å; L379-T381 VanDerWaalsContact C-N 3.34Å; L379-T381 PolarHBondContact O-N 3.37Å; T381-A384 WeakPolarHBondContact O-CB 3.1Å; T381-A384 PolarHBondContact O-N 3.49Å; T381-I385 HydrophobicContact CG2-CD1 4.46Å; T381-I385 WeakPolarHBondContact O-CG1 3.29Å; T381-I385 PolarHBondContact O-N 3.26Å; T381-I385 VanDerWaalsContact O-N 3.07Å
382M95Very high87.6Confident114 Ų11450.7 Ų50.756%0.56227%0.27SS*.Hα-helixtrans-62.9-42.5173.2-72-171.2-64.800112G378 L379 A384 I385 E386G378-M382 WeakPolarHBondContact O-CG 3.31Å; G378-M382 PolarHBondContact O-N 2.75Å; L379-M382 HydrophobicContact CD2-CE 3.57Å; L379-M382 HydrophobicContact CG-CE 4.45Å; L379-M382 PolarHBondContact O-N 2.97Å; M382-A384 VanDerWaalsContact C-N 3.32Å; M382-A384 PolarHBondContact O-N 2.93Å; M382-I385 PolarHBondContact O-N 3.5Å; M382-E386 WeakPolarHBondContact O-CB 3.11Å; M382-E386 PolarHBondContact O-N 2.85Å
383K93.6Very high86.3Confident73 Ų7351.4 Ų51.432%0.31727%0.273SS..Hα-helixtrans-64.7-34.8174.3-73.4-53.7-171.1-174.70112.9I141 V152 V154 L379 A380 E386 L387I141-K383 HydrophobicContact CD1-CB 3.88Å; V152-K383 HydrophobicContact CG1-CG 4.25Å; V154-K383 HydrophobicContact CG2-CB 4.06Å; V154-K383 HydrophobicContact CG2-CD 4.17Å; V154-K383 HydrophobicContact CG2-CG 4.08Å; L379-K383 PolarHBondContact O-N 2.65Å; A380-K383 PolarHBondContact O-N 3.37Å; K383-E386 VanDerWaalsContact CD-OE2 3.31Å; K383-E386 WeakPolarHBondContact CD-OE2 3.36Å; K383-E386 IonicContact NZ-OE1 3.68Å; K383-E386 PolarHBondContact NZ-OE1 3.28Å; K383-E386 IonicContact NZ-OE2 3.58Å; K383-E386 PolarHBondContact NZ-OE2 3.33Å; K383-E386 PolarHBondContact O-N 3.36Å; K383-L387 WeakPolarHBondContact O-CG 3.45Å; K383-L387 PolarHBondContact O-N 3.02Å
384A94.6Very high85.3Confident0 Ų057.1 Ų57.10%030%0.299CS..Hα-helixtrans-60.1-48.2172.800000111.2L35 F40 L115 I141 A380 T381 M382 E386 L387 L388L35-A384 HydrophobicContact CD2-CB 4.45Å; F40-A384 HydrophobicContact CZ-CB 4.35Å; L115-A384 HydrophobicContact CD2-CB 3.33Å; I141-A384 HydrophobicContact CD1-CB 3.97Å; A380-A384 PolarHBondContact O-N 2.73Å; T381-A384 WeakPolarHBondContact O-CB 3.1Å; T381-A384 PolarHBondContact O-N 3.49Å; M382-A384 VanDerWaalsContact C-N 3.32Å; M382-A384 PolarHBondContact O-N 2.93Å; A384-E386 PolarHBondContact O-N 3.22Å; A384-L387 PolarHBondContact O-N 2.99Å; A384-L388 WeakPolarHBondContact O-CG 3.22Å; A384-L388 PolarHBondContact O-N 3.35Å
385I92.5Very high84.4Confident43 Ų4356.9 Ų56.922%0.22129%0.293CS..Hα-helixtrans-64.4-40.6177.4-62.4166.4000111.1L10 A38 F40 T381 M382 L387 L388 K389L10-I385 HydrophobicContact CD1-CG2 4.37Å; L10-I385 HydrophobicContact CD2-CG2 4.01Å; A38-I385 HydrophobicContact CB-CD1 4.11Å; F40-I385 HydrophobicContact CE2-CG1 4.3Å; T381-I385 HydrophobicContact CG2-CD1 4.46Å; T381-I385 WeakPolarHBondContact O-CG1 3.29Å; T381-I385 PolarHBondContact O-N 3.26Å; T381-I385 VanDerWaalsContact O-N 3.07Å; M382-I385 PolarHBondContact O-N 3.5Å; I385-L387 PolarHBondContact O-N 3.17Å; I385-L388 PolarHBondContact O-N 3.06Å; I385-L388 VanDerWaalsContact O-N 3.15Å; I385-K389 PolarHBondContact O-N 3.44Å; I385-K389 VanDerWaalsContact O-N 3.08Å
386E88.7Confident83.6Confident107 Ų10753.6 Ų53.650%0.527%0.274SS..Hα-helixtrans-58.9-44.1176.4-171.1-178.9137.800112M382 K383 A384 L388 K389M382-E386 WeakPolarHBondContact O-CB 3.11Å; M382-E386 PolarHBondContact O-N 2.85Å; K383-E386 VanDerWaalsContact CD-OE2 3.31Å; K383-E386 WeakPolarHBondContact CD-OE2 3.36Å; K383-E386 IonicContact NZ-OE1 3.68Å; K383-E386 PolarHBondContact NZ-OE1 3.28Å; K383-E386 IonicContact NZ-OE2 3.58Å; K383-E386 PolarHBondContact NZ-OE2 3.33Å; K383-E386 PolarHBondContact O-N 3.36Å; A384-E386 PolarHBondContact O-N 3.22Å; E386-L388 PolarHBondContact O-N 3.1Å; E386-K389 PolarHBondContact O-N 3.48Å
387L87.4Confident82.8Confident33 Ų3355.4 Ų55.417%0.17329%0.291CS..Hα-helixtrans-66.2-22.2176.6-74171.6000114R114 L115 P139 I141 V154 L156 K383 A384 I385R114-L387 PolarHBondContact NH2-O 2.97Å; R114-L387 VanDerWaalsContact NH2-O 3.12Å; L115-L387 HydrophobicContact CD1-CD1 3.62Å; P139-L387 HydrophobicContact CB-CD1 4.21Å; I141-L387 HydrophobicContact CD1-CD1 4.07Å; I141-L387 HydrophobicContact CG1-CD1 4.02Å; V154-L387 HydrophobicContact CG1-CD1 4.01Å; V154-L387 HydrophobicContact CG1-CD2 3.98Å; V154-L387 HydrophobicContact CG1-CG 4.43Å; L156-L387 HydrophobicContact CD1-CD2 4.13Å; L156-L387 HydrophobicContact CD2-CD2 4.09Å; K383-L387 WeakPolarHBondContact O-CG 3.45Å; K383-L387 PolarHBondContact O-N 3.02Å; A384-L387 PolarHBondContact O-N 2.99Å; I385-L387 PolarHBondContact O-N 3.17Å
388L83.5Confident82Confident9 Ų955.4 Ų55.45%0.04729%0.291CS..Hα-helixtrans-89.1-23.9177.7-65.7176.9000113.3L10 E13 V14 S17 F40 R114 A384 I385 E386 G390L10-L388 HydrophobicContact CD1-CB 4.28Å; E13-L388 HydrophobicContact CG-CB 4.07Å; E13-L388 HydrophobicContact CG-CD2 4.34Å; V14-L388 HydrophobicContact CG2-CD1 3.98Å; S17-L388 WeakPolarHBondContact OG-CD2 3.28Å; F40-L388 HydrophobicContact CE1-CD1 3.41Å; F40-L388 VanDerWaalsContact CE1-CD1 3.41Å; F40-L388 HydrophobicContact CZ-CD1 3.47Å; F40-L388 VanDerWaalsContact CZ-CD1 3.47Å; R114-L388 HydrophobicContact CG-CD2 3.45Å; R114-L388 VanDerWaalsContact CG-CD2 3.45Å; A384-L388 WeakPolarHBondContact O-CG 3.22Å; A384-L388 PolarHBondContact O-N 3.35Å; I385-L388 PolarHBondContact O-N 3.06Å; I385-L388 VanDerWaalsContact O-N 3.15Å; E386-L388 PolarHBondContact O-N 3.1Å; L388-G390 PolarHBondContact O-N 2.91Å; L388-G390 VanDerWaalsContact O-N 3.13Å
389K75.4Confident81.4Confident140 Ų14054.2 Ų54.261%0.60928%0.278SS*.Hα-helixtrans-57.8-25.1171-74.8179.7176.8-176.10112.2L10 I385 E386L10-K389 HydrophobicContact CD1-CB 4.4Å; L10-K389 HydrophobicContact CD1-CG 3.58Å; L10-K389 HydrophobicContact CD2-CD 4.16Å; L10-K389 HydrophobicContact CD2-CG 3.66Å; L10-K389 HydrophobicContact CG-CG 4.23Å; I385-K389 PolarHBondContact O-N 3.44Å; I385-K389 VanDerWaalsContact O-N 3.08Å; E386-K389 PolarHBondContact O-N 3.48Å
390G60.3Low80.8Confident40 Ų4054.3 Ų54.341%0.41228%0.279SS..  trans69.1149.5-170.400000110.8L388L388-G390 PolarHBondContact O-N 2.91Å; L388-G390 VanDerWaalsContact O-N 3.13Å
391E53.7Low80.1Confident136 Ų13660.8 Ų60.864%0.63631%0.306SS*.  trans-80.8117.7160.9-71.6176.4153.200106.2K159 L393 S472K159-E391 IonicContact NZ-OE2 3.05Å; E391-L393 PolarHBondContact O-N 3.35Å; E391-S472 WeakPolarHBondContact O-CA 3.48Å; E391-S472 WeakPolarHBondContact O-CB 3.4Å
392K55.9Low79.4Confident101 Ų10163.3 Ų63.344%0.43932%0.318SS..  trans-62127.5170.8-70.9-173.9-176.3175.60107.8E394 E434K392-E394 PolarHBondContact O-N 3.06Å; K392-E394 VanDerWaalsContact O-N 3.15Å; K392-E434 PolarHBondContact NZ-O 3.47Å; K392-E434 IonicContact NZ-OE2 2.78Å; K392-E434 PolarHBondContact NZ-OE2 3.38Å
393L61.4Low78.9Confident28 Ų2858.4 Ų58.415%0.14729%0.293CS..  trans-73.3105.8171.8-178.569.4000108.9E391 I395 V398 Y474 V502 C506E391-L393 PolarHBondContact O-N 3.35Å; L393-I395 PolarHBondContact O-N 2.84Å; L393-V398 HydrophobicContact CD1-CG2 3.72Å; L393-V398 HydrophobicContact CD2-CG2 3.9Å; L393-V398 HydrophobicContact CG-CG2 3.85Å; L393-Y474 HydrophobicContact CD1-CD1 3.34Å; L393-Y474 HydrophobicContact CD1-CE1 3.54Å; L393-Y474 HydrophobicContact CD1-CG 4.42Å; L393-Y474 HydrophobicContact CD2-CD1 3.53Å; L393-Y474 HydrophobicContact CD2-CE1 4.46Å; L393-Y474 HydrophobicContact CD2-CG 3.86Å; L393-Y474 HydrophobicContact CG-CD1 4.06Å; L393-V502 HydrophobicContact CD2-CG1 3.59Å; L393-C506 HydrophobicContact CB-CB 4.26Å
394E72.5Confident78.5Confident123 Ų12362.8 Ų62.858%0.57531%0.312SS*.  trans-75.6125.4171.9-63.1-168.2171.200110.2K392 S396 A397 V398K392-E394 PolarHBondContact O-N 3.06Å; K392-E394 VanDerWaalsContact O-N 3.15Å; E394-S396 WeakPolarHBondContact CB-OG 3.48Å; E394-S396 PolarHBondContact O-N 2.85Å; E394-S396 PolarHBondContact OE2-OG 2.89Å; E394-A397 HydrophobicContact CB-CB 4.25Å; E394-A397 WeakPolarHBondContact O-CB 3.46Å; E394-A397 PolarHBondContact O-N 3.44Å; E394-V398 PolarHBondContact O-N 3.34Å
395I76.9Confident78.2Confident28 Ų2863.1 Ų63.114%0.14431%0.314CS..Hα-helixtrans-56.7-35.5175.7-166.9169.6000111.6L393 A397 V398 L399 V410 L422 L437 L448L393-I395 PolarHBondContact O-N 2.84Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 2.95Å; I395-V398 WeakPolarHBondContact O-CB 3.46Å; I395-V398 PolarHBondContact O-N 3.4Å; I395-V398 VanDerWaalsContact O-N 3.17Å; I395-L399 HydrophobicContact CG1-CD1 4.3Å; I395-L399 HydrophobicContact CG1-CG 4.35Å; I395-L399 VanDerWaalsContact O-CG 3.26Å; I395-L399 WeakPolarHBondContact O-CG 3.38Å; I395-L399 PolarHBondContact O-N 2.88Å; I395-V410 HydrophobicContact CD1-CG1 4.44Å; I395-L422 HydrophobicContact CG2-CD2 4.48Å; I395-L437 HydrophobicContact CD1-CD2 4.3Å; I395-L448 HydrophobicContact CD1-CD1 3.52Å
396S80.5Confident78Confident24 Ų2469.9 Ų69.917%0.16834%0.337CS..Hα-helixtrans-54.8-45.4173.252.80000111.5E394 V398 L399 L400E394-S396 WeakPolarHBondContact CB-OG 3.48Å; E394-S396 PolarHBondContact O-N 2.85Å; E394-S396 PolarHBondContact OE2-OG 2.89Å; S396-V398 VanDerWaalsContact C-N 3.35Å; S396-V398 PolarHBondContact O-N 2.73Å; S396-L399 PolarHBondContact O-N 3.17Å; S396-L400 WeakPolarHBondContact O-CB 3.38Å; S396-L400 WeakPolarHBondContact O-CG 3.24Å; S396-L400 PolarHBondContact O-N 2.81Å
397A80Confident78Confident48 Ų4866.2 Ų66.240%0.39732%0.323SS..Hα-helixtrans-64.1-39.2178.800000112E394 I395 K401E394-A397 HydrophobicContact CB-CB 4.25Å; E394-A397 WeakPolarHBondContact O-CB 3.46Å; E394-A397 PolarHBondContact O-N 3.44Å; I395-A397 VanDerWaalsContact C-N 3.31Å; I395-A397 PolarHBondContact O-N 2.95Å; A397-K401 WeakPolarHBondContact O-CB 3.34Å; A397-K401 PolarHBondContact O-N 3.04Å
398V81.5Confident78.2Confident0 Ų065.2 Ų65.20%032%0.318CS..Hα-helixtrans-61.2-49.1173.8-179.70000110.8L393 E394 I395 S396 K401 E402 Y474 L500L393-V398 HydrophobicContact CD1-CG2 3.72Å; L393-V398 HydrophobicContact CD2-CG2 3.9Å; L393-V398 HydrophobicContact CG-CG2 3.85Å; E394-V398 PolarHBondContact O-N 3.34Å; I395-V398 WeakPolarHBondContact O-CB 3.46Å; I395-V398 PolarHBondContact O-N 3.4Å; I395-V398 VanDerWaalsContact O-N 3.17Å; S396-V398 VanDerWaalsContact C-N 3.35Å; S396-V398 PolarHBondContact O-N 2.73Å; V398-K401 PolarHBondContact O-N 2.55Å; V398-E402 WeakPolarHBondContact O-CB 3.38Å; V398-E402 PolarHBondContact O-N 3.19Å; V398-Y474 HydrophobicContact CB-CE2 4.42Å; V398-Y474 HydrophobicContact CG1-CD2 4.03Å; V398-Y474 HydrophobicContact CG1-CE2 3.71Å; V398-Y474 HydrophobicContact CG2-CD1 3.94Å; V398-Y474 HydrophobicContact CG2-CD2 4.28Å; V398-Y474 HydrophobicContact CG2-CE1 3.75Å; V398-Y474 HydrophobicContact CG2-CE2 4.14Å; V398-Y474 HydrophobicContact CG2-CG 4.18Å; V398-L500 HydrophobicContact CG1-CD1 3.95Å; V398-L500 HydrophobicContact CG1-CD2 4.42Å
399L84.3Confident78.6Confident0 Ų065.1 Ų65.10%032%0.318CS..Hα-helixtrans-64.9-43.5-178.5-63.3176.1000112.6I395 S396 M403 K404 M405 P408 V410 L422 C450 L461I395-L399 HydrophobicContact CG1-CD1 4.3Å; I395-L399 HydrophobicContact CG1-CG 4.35Å; I395-L399 VanDerWaalsContact O-CG 3.26Å; I395-L399 WeakPolarHBondContact O-CG 3.38Å; I395-L399 PolarHBondContact O-N 2.88Å; S396-L399 PolarHBondContact O-N 3.17Å; L399-M403 HydrophobicContact CD2-CG 4.44Å; L399-M403 HydrophobicContact CD2-SD 3.26Å; L399-M403 WeakPolarHBondContact CD2-SD 3.25Å; L399-M403 CarbonylContact O-C 3.46Å; L399-M403 WeakPolarHBondContact O-CA 3.4Å; L399-M403 WeakPolarHBondContact O-CB 3.3Å; L399-M403 PolarHBondContact O-N 3.19Å; L399-K404 PolarHBondContact O-N 3.44Å; L399-K404 VanDerWaalsContact O-N 3.13Å; L399-M405 HydrophobicContact CB-SD 4.06Å; L399-M405 HydrophobicContact CD1-SD 4.44Å; L399-M405 HydrophobicContact CD2-SD 4.23Å; L399-M405 HydrophobicContact CG-SD 4.47Å; L399-M405 PolarHBondContact O-N 2.84Å; L399-P408 HydrophobicContact CB-CB 4.25Å; L399-P408 HydrophobicContact CB-CG 4.36Å; L399-P408 HydrophobicContact CD1-CB 3.77Å; L399-P408 HydrophobicContact CD1-CG 4.3Å; L399-V410 HydrophobicContact CD1-CG2 3.34Å; L399-L422 HydrophobicContact CD1-CD2 4.14Å; L399-C450 HydrophobicContact CD2-CB 4.27Å; L399-L461 HydrophobicContact CD2-CD1 3.4Å; L399-L461 VanDerWaalsContact CD2-CD1 3.4Å
400L85.2Confident79.4Confident81 Ų8158.4 Ų58.442%0.42429%0.289SS..Hα-helixtrans-66.8-42177.9-67.8171.4000111.3S396 K404 M405 P408S396-L400 WeakPolarHBondContact O-CB 3.38Å; S396-L400 WeakPolarHBondContact O-CG 3.24Å; S396-L400 PolarHBondContact O-N 2.81Å; L400-K404 WeakPolarHBondContact O-CA 3.11Å; L400-M405 WeakPolarHBondContact CD2-O 3.36Å; L400-P408 HydrophobicContact CD2-CG 4.38Å
401K83.4Confident80.9Confident137 Ų13759.5 Ų59.560%0.59628%0.281SS*.Hα-helixtrans-77.5-54.2-175.1-176.8177.2170.3-107.80112.7A397 V398A397-K401 WeakPolarHBondContact O-CB 3.34Å; A397-K401 PolarHBondContact O-N 3.04Å; V398-K401 PolarHBondContact O-N 2.55Å
402E82.3Confident82.6Confident65 Ų6553.5 Ų53.530%0.30425%0.253SS..THydrogen-bonded Turntrans-91.3-41-170-59.6-56.4147.200112.7V398 K404 Y474 L476V398-E402 WeakPolarHBondContact O-CB 3.38Å; V398-E402 PolarHBondContact O-N 3.19Å; E402-K404 VanDerWaalsContact C-N 3.34Å; E402-Y474 HydrophobicContact CG-CE2 3.7Å; E402-Y474 WeakPolarHBondContact CG-OH 3.38Å; E402-Y474 PolarHBondContact OE1-OH 3.24Å; E402-L476 HydrophobicContact CB-CD2 3.48Å; E402-L476 VanDerWaalsContact CB-CD2 3.48Å; E402-L476 HydrophobicContact CG-CD2 4.16Å
403M83.6Confident83.9Confident10 Ų1053.3 Ų53.35%0.04926%0.26CS..SBendtrans-89.6-5.4179.8-55.9179.475.600112.6L399 M405 Y457 A459 L461 L476 E498L399-M403 HydrophobicContact CD2-CG 4.44Å; L399-M403 HydrophobicContact CD2-SD 3.26Å; L399-M403 WeakPolarHBondContact CD2-SD 3.25Å; L399-M403 CarbonylContact O-C 3.46Å; L399-M403 WeakPolarHBondContact O-CA 3.4Å; L399-M403 WeakPolarHBondContact O-CB 3.3Å; L399-M403 PolarHBondContact O-N 3.19Å; M403-M405 HydrophobicContact CB-CE 4.44Å; M403-M405 HydrophobicContact CB-CG 4.23Å; M403-M405 HydrophobicContact CE-CE 3.82Å; M403-M405 PolarHBondContact O-N 3.1Å; M403-M405 HydrophobicContact SD-CE 4.33Å; M403-Y457 HydrophobicContact CE-CE1 4.41Å; M403-A459 HydrophobicContact CE-CB 3.14Å; M403-L461 HydrophobicContact CE-CD1 4.1Å; M403-L461 HydrophobicContact CE-CG 4.35Å; M403-L461 HydrophobicContact SD-CD1 3.5Å; M403-L461 VanDerWaalsContact SD-CD1 3.5Å; M403-L461 HydrophobicContact SD-CD2 4.32Å; M403-L461 HydrophobicContact SD-CG 4.13Å; M403-L476 HydrophobicContact CG-CD2 4.35Å; M403-E498 VanDerWaalsContact CE-OE2 3.27Å; M403-E498 WeakPolarHBondContact CE-OE2 3.21Å; M403-E498 VanDerWaalsContact CG-OE2 3.3Å; M403-E498 WeakPolarHBondContact CG-OE2 3.48Å
404K85.7Confident84.6Confident165 Ų16553 Ų5372%0.71726%0.26SS*.  trans55.432.2178.7-56.6-176.3179.8-178.40113.3L399 L400 E402 M455L399-K404 PolarHBondContact O-N 3.44Å; L399-K404 VanDerWaalsContact O-N 3.13Å; L400-K404 WeakPolarHBondContact O-CA 3.11Å; E402-K404 VanDerWaalsContact C-N 3.34Å; K404-M455 WeakPolarHBondContact O-CE 3.14Å
405M88.3Confident84.7Confident8 Ų854.1 Ų54.14%0.03928%0.278CS..  trans-65153.3170.9-66.7-177.417500110.4L399 L400 M403 P408 C450 D452 M455 Y457 A459L399-M405 HydrophobicContact CB-SD 4.06Å; L399-M405 HydrophobicContact CD1-SD 4.44Å; L399-M405 HydrophobicContact CD2-SD 4.23Å; L399-M405 HydrophobicContact CG-SD 4.47Å; L399-M405 PolarHBondContact O-N 2.84Å; L400-M405 WeakPolarHBondContact CD2-O 3.36Å; M403-M405 HydrophobicContact CB-CE 4.44Å; M403-M405 HydrophobicContact CB-CG 4.23Å; M403-M405 HydrophobicContact CE-CE 3.82Å; M403-M405 PolarHBondContact O-N 3.1Å; M403-M405 HydrophobicContact SD-CE 4.33Å; M405-P408 HydrophobicContact CB-CB 4.09Å; M405-P408 HydrophobicContact CB-CG 4.43Å; M405-P408 HydrophobicContact SD-CB 3.71Å; M405-C450 HydrophobicContact CE-CB 3.72Å; M405-C450 HydrophobicContact SD-CB 4.3Å; M405-D452 WeakPolarHBondContact CA-OD2 3.36Å; M405-D452 HydrophobicContact CB-CB 4.42Å; M405-D452 WeakPolarHBondContact CB-OD2 3.43Å; M405-D452 HydrophobicContact CG-CB 4.19Å; M405-M455 HydrophobicContact CB-CE 4.45Å; M405-M455 HydrophobicContact CG-CE 4.39Å; M405-Y457 HydrophobicContact CE-CD1 3.65Å; M405-Y457 HydrophobicContact CE-CE1 3.56Å; M405-Y457 HydrophobicContact CG-CD1 4.22Å; M405-Y457 HydrophobicContact CG-CE1 4.44Å; M405-A459 HydrophobicContact CE-CB 4.5Å
406R87.3Confident84.7Confident185 Ų18558.5 Ų58.570%0.69831%0.311SS*.SBendtrans-101.4-47.6172.6179.1-179.3-81.3-165.2-3.7111.3D452 M455R406-D452 WeakPolarHBondContact CA-OD2 3.49Å; R406-D452 PolarHBondContact N-OD2 2.91Å; R406-M455 HydrophobicContact CB-CG 4.31Å; R406-M455 HydrophobicContact CB-SD 4.27Å
407S89.8Confident84.6Confident30 Ų3059 Ų5921%0.2132%0.319CS..SBendtrans-13972.3-172.6-60.30000109.6D452 D454S407-D452 PolarHBondContact N-OD2 3.03Å; S407-D454 VanDerWaalsContact CB-OD2 3.25Å; S407-D454 WeakPolarHBondContact CB-OD2 3.35Å; S407-D454 PolarHBondContact OG-OD2 3.29Å
408P90.9Very high84.6Confident12 Ų1260.5 Ų60.58%0.07833%0.332CS..EExtended strand (participates in β ladder)trans-76.7130.6-171.428.9-34.2000113.6L399 L400 M405 L422 K451L399-P408 HydrophobicContact CB-CB 4.25Å; L399-P408 HydrophobicContact CB-CG 4.36Å; L399-P408 HydrophobicContact CD1-CB 3.77Å; L399-P408 HydrophobicContact CD1-CG 4.3Å; L400-P408 HydrophobicContact CD2-CG 4.38Å; M405-P408 HydrophobicContact CB-CB 4.09Å; M405-P408 HydrophobicContact CB-CG 4.43Å; M405-P408 HydrophobicContact SD-CB 3.71Å; P408-L422 HydrophobicContact CB-CD2 4.21Å; P408-L422 HydrophobicContact CG-CD2 3.92Å; P408-K451 CarbonylContact C-O 3.54Å; P408-K451 WeakPolarHBondContact CA-O 3.47Å
409D92Very high84.8Confident6 Ų662.8 Ų62.83%0.03235%0.348CS..EExtended strand (participates in β ladder)trans-104.6134.4162-68-76.1000110.1Y411 Q420 L422 S423 S424 C450 K451 F453D409-Y411 HydrophobicContact CB-CE2 3.83Å; D409-Q420 PolarHBondContact OD1-NE2 2.94Å; D409-L422 WeakPolarHBondContact CA-O 3.25Å; D409-S423 VanDerWaalsContact OD1-CA 3.28Å; D409-S423 WeakPolarHBondContact OD1-CA 3.4Å; D409-S424 PolarHBondContact OD1-N 3.05Å; D409-S424 PolarHBondContact OD2-OG 3.29Å; D409-C450 CarbonylContact O-C 3.57Å; D409-C450 WeakPolarHBondContact O-CA 3.43Å; D409-K451 PolarHBondContact N-O 3.48Å; D409-K451 PolarHBondContact O-N 3.44Å; D409-F453 HydrophobicContact CB-CE2 4.07Å; D409-F453 WeakPolarHBondContact OD2-CD2 3.28Å; D409-F453 WeakPolarHBondContact OD2-CE2 3.38Å
410V91.5Very high85.1Confident0 Ų065.3 Ų65.30%036%0.36CS..EExtended strand (participates in β ladder)trans-124.6129.6-178.1-171.20000110.6I395 L399 Q420 I421 L422 L448 C450I395-V410 HydrophobicContact CD1-CG1 4.44Å; L399-V410 HydrophobicContact CD1-CG2 3.34Å; V410-Q420 CarbonylContact O-C 3.56Å; V410-Q420 WeakPolarHBondContact O-CA 3.22Å; V410-Q420 WeakPolarHBondContact O-CG 3.44Å; V410-I421 HydrophobicContact CB-CD1 4.16Å; V410-I421 HydrophobicContact CB-CG1 3.68Å; V410-I421 HydrophobicContact CG1-CD1 3.55Å; V410-I421 HydrophobicContact CG1-CG1 3.6Å; V410-I421 WeakPolarHBondContact O-CG1 3.49Å; V410-I421 PolarHBondContact O-N 3.44Å; V410-L422 HydrophobicContact CB-CB 3.82Å; V410-L422 HydrophobicContact CG2-CB 3.76Å; V410-L422 HydrophobicContact CG2-CD2 3.83Å; V410-L422 HydrophobicContact CG2-CG 4.41Å; V410-L422 PolarHBondContact N-O 2.88Å; V410-L422 PolarHBondContact O-N 3.16Å; V410-L448 HydrophobicContact CG1-CB 4Å; V410-L448 HydrophobicContact CG1-CD1 4.37Å; V410-C450 HydrophobicContact CG2-CB 4.49Å
411Y91.9Very high85.2Confident63 Ų6362.3 Ų62.325%0.24734%0.344CS..EExtended strand (participates in β ladder)trans-118136.8179.7-55.5-86.9000110.1D409 Q420 L448 T449 K451D409-Y411 HydrophobicContact CB-CE2 3.83Å; Y411-Q420 HydrophobicContact CD1-CB 3.84Å; Y411-Q420 HydrophobicContact CD1-CG 3.9Å; Y411-Q420 HydrophobicContact CE1-CB 3.84Å; Y411-Q420 HydrophobicContact CE1-CG 3.62Å; Y411-L448 CarbonylContact O-C 3.59Å; Y411-L448 WeakPolarHBondContact O-CA 3.31Å; Y411-T449 PolarHBondContact N-O 3.09Å; Y411-T449 PolarHBondContact O-N 3.08Å; Y411-K451 HydrophobicContact CE2-CD 4.19Å; Y411-K451 HydrophobicContact CE2-CG 4.48Å
412F89.8Confident85.5Confident10 Ų1056.8 Ų56.84%0.04432%0.321CS..EExtended strand (participates in β ladder)trans-119.1130.4173.9171.9-127.5000109.3A418 S419 I421 G441 I442 L448F412-A418 WeakPolarHBondContact O-CA 3.5Å; F412-S419 PolarHBondContact N-O 3Å; F412-S419 PolarHBondContact O-N 2.94Å; F412-S419 PolarHBondContact O-OG 2.87Å; F412-I421 HydrophobicContact CB-CG2 3.99Å; F412-G441 WeakPolarHBondContact CZ-O 3.27Å; F412-I442 HydrophobicContact CB-CG1 4.36Å; F412-I442 HydrophobicContact CD1-CG1 3.75Å; F412-I442 HydrophobicContact CD2-CG1 4.09Å; F412-I442 HydrophobicContact CE1-CG1 3.99Å; F412-I442 HydrophobicContact CE2-CG1 4.34Å; F412-I442 HydrophobicContact CG-CD1 4.47Å; F412-I442 HydrophobicContact CG-CG1 3.8Å; F412-I442 HydrophobicContact CZ-CG1 4.29Å; F412-L448 HydrophobicContact CB-CD2 3.76Å; F412-L448 HydrophobicContact CD2-CD2 3.81Å; F412-L448 HydrophobicContact CG-CD2 4.07Å
413V83.1Confident85.9Confident97 Ų9754.4 Ų54.459%0.58831%0.311SS*.EExtended strand (participates in β ladder)trans-99.6106.6173.1-175.60000108.9A418V413-A418 HydrophobicContact CG2-CB 4.08Å
414S76.7Confident86.2Confident22 Ų2256.2 Ų56.215%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-89.6162.9170.873.10000110.6S416 G417S414-S416 PolarHBondContact O-N 2.8Å; S414-S416 VanDerWaalsContact O-N 3.09Å; S414-S416 PolarHBondContact OG-N 3.43Å; S414-S416 PolarHBondContact OG-OG 3.21Å; S414-G417 PolarHBondContact N-O 2.79Å; S414-G417 PolarHBondContact O-N 3.14Å; S414-G417 PolarHBondContact OG-N 3.41Å; S414-G417 PolarHBondContact OG-O 2.67Å
415P75.1Confident86.4Confident146 Ų14654 Ų5495%0.94832%0.317SS*.THydrogen-bonded Turntrans-54.9-24.5168.9-26.135.4000113.9
416S75.8Confident86.2Confident119 Ų11959.3 Ų59.383%0.83235%0.353SS*.THydrogen-bonded Turntrans-84.6-7.7177.139.90000114.7S414S414-S416 PolarHBondContact O-N 2.8Å; S414-S416 VanDerWaalsContact O-N 3.09Å; S414-S416 PolarHBondContact OG-N 3.43Å; S414-S416 PolarHBondContact OG-OG 3.21Å
417G77.9Confident86Confident34 Ų3453 Ų5335%0.35135%0.345SS..EExtended strand (participates in β ladder)trans136.7172.6-178.100000113.1S414S414-G417 PolarHBondContact N-O 2.79Å; S414-G417 PolarHBondContact O-N 3.14Å; S414-G417 PolarHBondContact OG-N 3.41Å; S414-G417 PolarHBondContact OG-O 2.67Å
418A81.7Confident85.8Confident80 Ų8056.3 Ų56.366%0.66136%0.357SS*.EExtended strand (participates in β ladder)trans-82.1133.717300000110.5F412 V413F412-A418 WeakPolarHBondContact O-CA 3.5Å; V413-A418 HydrophobicContact CG2-CB 4.08Å
419S85.7Confident85.5Confident48 Ų4858.2 Ų58.234%0.33637%0.367SS..EExtended strand (participates in β ladder)trans-129.8138.317753.40000109.9F412F412-S419 PolarHBondContact N-O 3Å; F412-S419 PolarHBondContact O-N 2.94Å; F412-S419 PolarHBondContact O-OG 2.87Å
420Q89.8Confident84.9Confident53 Ų5361.7 Ų61.725%0.24839%0.385CS..EExtended strand (participates in β ladder)trans-81.3133.1167.7-166.3175-3.600109D409 V410 Y411 L422 L429D409-Q420 PolarHBondContact OD1-NE2 2.94Å; V410-Q420 CarbonylContact O-C 3.56Å; V410-Q420 WeakPolarHBondContact O-CA 3.22Å; V410-Q420 WeakPolarHBondContact O-CG 3.44Å; Y411-Q420 HydrophobicContact CD1-CB 3.84Å; Y411-Q420 HydrophobicContact CD1-CG 3.9Å; Y411-Q420 HydrophobicContact CE1-CB 3.84Å; Y411-Q420 HydrophobicContact CE1-CG 3.62Å; Q420-L422 VanDerWaalsContact CG-O 3.31Å; Q420-L422 WeakPolarHBondContact CG-O 3.35Å; Q420-L422 PolarHBondContact NE2-O 3.26Å; Q420-L429 HydrophobicContact CB-CD1 4.01Å; Q420-L429 HydrophobicContact CG-CD1 3.76Å
421I87.7Confident84.4Confident18 Ų1869.8 Ų69.89%0.09242%0.423CS..EExtended strand (participates in β ladder)trans-113.2-20.2-177.667.4174.3000112.5V410 F412 I442 L448V410-I421 HydrophobicContact CB-CD1 4.16Å; V410-I421 HydrophobicContact CB-CG1 3.68Å; V410-I421 HydrophobicContact CG1-CD1 3.55Å; V410-I421 HydrophobicContact CG1-CG1 3.6Å; V410-I421 WeakPolarHBondContact O-CG1 3.49Å; V410-I421 PolarHBondContact O-N 3.44Å; F412-I421 HydrophobicContact CB-CG2 3.99Å; I421-I442 HydrophobicContact CD1-CD1 3.38Å; I421-I442 HydrophobicContact CG2-CD1 4.36Å; I421-L448 HydrophobicContact CD1-CD1 4.27Å; I421-L448 HydrophobicContact CD1-CD2 3.94Å
422L89.8Confident83.9Confident22 Ų2268.6 Ų68.612%0.11542%0.42CS..EExtended strand (participates in β ladder)trans-138.8132.5172.5-173.468.9000108.3I395 L399 P408 D409 V410 Q420I395-L422 HydrophobicContact CG2-CD2 4.48Å; L399-L422 HydrophobicContact CD1-CD2 4.14Å; P408-L422 HydrophobicContact CB-CD2 4.21Å; P408-L422 HydrophobicContact CG-CD2 3.92Å; D409-L422 WeakPolarHBondContact CA-O 3.25Å; V410-L422 HydrophobicContact CB-CB 3.82Å; V410-L422 HydrophobicContact CG2-CB 3.76Å; V410-L422 HydrophobicContact CG2-CD2 3.83Å; V410-L422 HydrophobicContact CG2-CG 4.41Å; V410-L422 PolarHBondContact N-O 2.88Å; V410-L422 PolarHBondContact O-N 3.16Å; Q420-L422 VanDerWaalsContact CG-O 3.31Å; Q420-L422 WeakPolarHBondContact CG-O 3.35Å; Q420-L422 PolarHBondContact NE2-O 3.26Å
423S90.6Very high83.2Confident14 Ų1474 Ų7410%0.09844%0.444CS..  trans-118.7138175.6-175.20000109.4D409 E425 E428D409-S423 VanDerWaalsContact OD1-CA 3.28Å; D409-S423 WeakPolarHBondContact OD1-CA 3.4Å; S423-E425 PolarHBondContact OG-N 3.5Å; S423-E428 PolarHBondContact OG-OE2 2.99Å
424S90.2Very high82.8Confident49 Ų4974.7 Ų74.734%0.34344%0.441SS..SBendtrans-73.8-17.4170.763.50000112.7D409 P426D409-S424 PolarHBondContact OD1-N 3.05Å; D409-S424 PolarHBondContact OD2-OG 3.29Å; S424-P426 WeakPolarHBondContact O-CD 3.39Å
425E89.5Confident82.9Confident117 Ų11778.5 Ų78.555%0.54746%0.455SS..SBendtrans-75.7122.1-179.7-72.3-66.5165.200111.5S423 G427 E428S423-E425 PolarHBondContact OG-N 3.5Å; E425-G427 PolarHBondContact O-N 3.11Å; E425-E428 HydrophobicContact CB-CB 4.39Å; E425-E428 HydrophobicContact CB-CG 3.95Å; E425-E428 PolarHBondContact O-N 3Å
426P83.9Confident83Confident121 Ų12172.7 Ų72.779%0.78642%0.417SS*.THydrogen-bonded Turntrans-59.1129.5179.9-23.733.4000112.7S424 E428S424-P426 WeakPolarHBondContact O-CD 3.39Å; P426-E428 VanDerWaalsContact C-N 3.35Å
427G83Confident83.2Confident53 Ų5368.1 Ų68.155%0.54638%0.383SS..THydrogen-bonded Turntrans91.4-11.5179.500000114.4E425 D430E425-G427 PolarHBondContact O-N 3.11Å; G427-D430 WeakPolarHBondContact CA-OD2 3.37Å
428E85.5Confident83.4Confident98 Ų9871.8 Ų71.846%0.45839%0.389SS..THydrogen-bonded Turntrans-82.2142.4172-67.9-163.8162.900111.7S423 E425 P426 D430S423-E428 PolarHBondContact OG-OE2 2.99Å; E425-E428 HydrophobicContact CB-CB 4.39Å; E425-E428 HydrophobicContact CB-CG 3.95Å; E425-E428 PolarHBondContact O-N 3Å; P426-E428 VanDerWaalsContact C-N 3.35Å; E428-D430 PolarHBondContact O-N 3.45Å
429L83.9Confident83.4Confident52 Ų5273 Ų7327%0.27238%0.381SS..THydrogen-bonded Turntrans55.620.4176.4-49.7177.7000114.8Q420 E431 I432 K433Q420-L429 HydrophobicContact CB-CD1 4.01Å; Q420-L429 HydrophobicContact CG-CD1 3.76Å; L429-E431 PolarHBondContact O-N 2.74Å; L429-E431 VanDerWaalsContact O-N 3.15Å; L429-I432 HydrophobicContact CB-CB 4.28Å; L429-I432 HydrophobicContact CB-CD1 4.21Å; L429-I432 HydrophobicContact CB-CG1 4.27Å; L429-I432 HydrophobicContact CD2-CD1 3.72Å; L429-I432 HydrophobicContact CD2-CG1 4.47Å; L429-I432 HydrophobicContact CG-CD1 4.37Å; L429-I432 WeakPolarHBondContact O-CA 2.96Å; L429-I432 WeakPolarHBondContact O-CB 3.01Å; L429-I432 PolarHBondContact O-N 3.46Å; L429-K433 PolarHBondContact O-N 3.23Å
430D80.6Confident83.1Confident80 Ų8072.1 Ų72.143%0.42838%0.375SS..Hα-helixtrans-56.1-32.9176.8-79.8-14.8000112.1G427 E428 I432 K433G427-D430 WeakPolarHBondContact CA-OD2 3.37Å; E428-D430 PolarHBondContact O-N 3.45Å; D430-I432 PolarHBondContact O-N 3.04Å; D430-K433 PolarHBondContact O-N 2.88Å; D430-K433 WeakPolarHBondContact OD1-CE 3.29Å; D430-K433 IonicContact OD1-NZ 2.72Å; D430-K433 PolarHBondContact OD1-NZ 2.89Å
431E80.4Confident82.8Confident169 Ų16971.2 Ų71.279%0.7938%0.38SS*.Hα-helixtrans-66.8-21.3174.6-55.8-174.6-169.200113.9L429L429-E431 PolarHBondContact O-N 2.74Å; L429-E431 VanDerWaalsContact O-N 3.15Å
432I81.8Confident82.7Confident38 Ų3870.4 Ų70.420%0.19538%0.376CS..Hα-helixtrans-88.3-27.9178.7-55.2-170.8000111L429 D430 E434 K435 C440L429-I432 HydrophobicContact CB-CB 4.28Å; L429-I432 HydrophobicContact CB-CD1 4.21Å; L429-I432 HydrophobicContact CB-CG1 4.27Å; L429-I432 HydrophobicContact CD2-CD1 3.72Å; L429-I432 HydrophobicContact CD2-CG1 4.47Å; L429-I432 HydrophobicContact CG-CD1 4.37Å; L429-I432 WeakPolarHBondContact O-CA 2.96Å; L429-I432 WeakPolarHBondContact O-CB 3.01Å; L429-I432 PolarHBondContact O-N 3.46Å; D430-I432 PolarHBondContact O-N 3.04Å; I432-E434 PolarHBondContact O-N 2.78Å; I432-K435 WeakPolarHBondContact O-CB 3.39Å; I432-K435 PolarHBondContact O-N 3.18Å; I432-C440 VanDerWaalsContact CG2-SG 3.53Å
433K75Confident82.5Confident123 Ų12372.9 Ų72.954%0.53539%0.389SS..Hα-helixtrans-54.5-28.8-178.8-69.7-179.5178.6164.10113.7L429 D430L429-K433 PolarHBondContact O-N 3.23Å; D430-K433 PolarHBondContact O-N 2.88Å; D430-K433 WeakPolarHBondContact OD1-CE 3.29Å; D430-K433 IonicContact OD1-NZ 2.72Å; D430-K433 PolarHBondContact OD1-NZ 2.89Å
434E74.2Confident82.2Confident112 Ų11278 Ų7852%0.52341%0.411SS..THydrogen-bonded Turntrans-85.7-9.6178.4-71.3-62.3157.400114.7K392 I432K392-E434 PolarHBondContact NZ-O 3.47Å; K392-E434 IonicContact NZ-OE2 2.78Å; K392-E434 PolarHBondContact NZ-OE2 3.38Å; I432-E434 PolarHBondContact O-N 2.78Å
435K78.5Confident81.9Confident102 Ų10277.5 Ų77.544%0.44341%0.413SS..SBendtrans-87.8142.9-177.5-63.2-178.4-174.8172.90111.1I432 Q439I432-K435 WeakPolarHBondContact O-CB 3.39Å; I432-K435 PolarHBondContact O-N 3.18Å; K435-Q439 HydrophobicContact CB-CB 3.99Å
436T78Confident81.8Confident25 Ų2572.8 Ų72.815%0.15339%0.393CS..  trans-72.8161.5171.365.30000111.1K438 Q439 C440 N505 C506T436-K438 PolarHBondContact O-N 2.78Å; T436-Q439 VanDerWaalsContact N-OE1 3.09Å; T436-Q439 WeakPolarHBondContact O-CB 3.3Å; T436-Q439 PolarHBondContact O-N 2.75Å; T436-Q439 WeakPolarHBondContact OG1-CG 3.5Å; T436-Q439 PolarHBondContact OG1-N 3.18Å; T436-C440 PolarHBondContact O-N 3.26Å; T436-N505 WeakPolarHBondContact CG2-O 3.48Å; T436-C506 WeakPolarHBondContact CB-O 3.48Å
437L80.1Confident82Confident23 Ų2373 Ų7312%0.1238%0.379CS..THydrogen-bonded Turntrans-54.4-41.6175.6-68.4179.2000111.2I395 Q439 C440 G441 I442 V502 C506I395-L437 HydrophobicContact CD1-CD2 4.3Å; L437-Q439 PolarHBondContact O-N 3.26Å; L437-C440 CarbonylContact O-C 3.5Å; L437-C440 WeakPolarHBondContact O-CA 3.49Å; L437-C440 WeakPolarHBondContact O-CB 3.26Å; L437-C440 PolarHBondContact O-N 2.85Å; L437-C440 VanDerWaalsContact O-N 3.08Å; L437-G441 PolarHBondContact O-N 2.93Å; L437-I442 CarbonylContact C-O 3.59Å; L437-I442 HydrophobicContact CB-CB 4.06Å; L437-I442 HydrophobicContact CB-CD1 4.43Å; L437-I442 HydrophobicContact CB-CG2 4.28Å; L437-I442 HydrophobicContact CD2-CD1 3.67Å; L437-I442 VanDerWaalsContact O-CB 3.3Å; L437-I442 WeakPolarHBondContact O-CB 3.27Å; L437-I442 PolarHBondContact O-N 3.39Å; L437-V502 HydrophobicContact CD1-CG2 4.03Å; L437-C506 WeakPolarHBondContact CB-O 3.19Å; L437-C506 PolarHBondContact N-O 3.11Å
438K80.9Confident82.3Confident111 Ų11170.5 Ų70.548%0.48335%0.353SS..THydrogen-bonded Turntrans-60.6-41.1174.8-169.1178.5-171.9174.80113.5T436 C440 G441 I442 V504T436-K438 PolarHBondContact O-N 2.78Å; K438-C440 PolarHBondContact O-N 2.66Å; K438-G441 WeakPolarHBondContact O-CA 3.4Å; K438-G441 PolarHBondContact O-N 2.67Å; K438-I442 WeakPolarHBondContact CA-O 3.5Å; K438-I442 PolarHBondContact N-O 2.84Å; K438-V504 HydrophobicContact CB-CG1 3.84Å; K438-V504 WeakPolarHBondContact CB-O 3.17Å; K438-V504 HydrophobicContact CD-CG1 4.19Å; K438-V504 HydrophobicContact CG-CG1 4.08Å
439Q81.4Confident82.6Confident104 Ų10467.4 Ų67.449%0.48634%0.34SS..THydrogen-bonded Turntrans-67.7-24.8176.3-73.3172.8-12.800112.3K435 T436 L437 G441K435-Q439 HydrophobicContact CB-CB 3.99Å; T436-Q439 VanDerWaalsContact N-OE1 3.09Å; T436-Q439 WeakPolarHBondContact O-CB 3.3Å; T436-Q439 PolarHBondContact O-N 2.75Å; T436-Q439 WeakPolarHBondContact OG1-CG 3.5Å; T436-Q439 PolarHBondContact OG1-N 3.18Å; L437-Q439 PolarHBondContact O-N 3.26Å; Q439-G441 VanDerWaalsContact C-N 3.26Å
440C81.3Confident82.9Confident31 Ų3164.9 Ų64.921%0.20933%0.327CS..THydrogen-bonded Turntrans-81.91.3168.8-64.70000113.8I432 T436 L437 K438 I442I432-C440 VanDerWaalsContact CG2-SG 3.53Å; T436-C440 PolarHBondContact O-N 3.26Å; L437-C440 CarbonylContact O-C 3.5Å; L437-C440 WeakPolarHBondContact O-CA 3.49Å; L437-C440 WeakPolarHBondContact O-CB 3.26Å; L437-C440 PolarHBondContact O-N 2.85Å; L437-C440 VanDerWaalsContact O-N 3.08Å; K438-C440 PolarHBondContact O-N 2.66Å; C440-I442 VanDerWaalsContact C-N 3.34Å; C440-I442 HydrophobicContact CB-CD1 3.99Å; C440-I442 HydrophobicContact CB-CG1 4.34Å
441G83.4Confident83.4Confident34 Ų3465.2 Ų65.235%0.35133%0.325SS..THydrogen-bonded Turntrans82.77.6-179.600000114.7F412 L437 K438 Q439 N443F412-G441 WeakPolarHBondContact CZ-O 3.27Å; L437-G441 PolarHBondContact O-N 2.93Å; K438-G441 WeakPolarHBondContact O-CA 3.4Å; K438-G441 PolarHBondContact O-N 2.67Å; Q439-G441 VanDerWaalsContact C-N 3.26Å; G441-N443 PolarHBondContact O-ND2 2.83Å
442I85.3Confident83.9Confident1 Ų157.3 Ų57.31%0.00529%0.288CS..  trans-86122.1179.5-56.7160.4000107.6F412 I421 L437 K438 C440 L448 V463F412-I442 HydrophobicContact CB-CG1 4.36Å; F412-I442 HydrophobicContact CD1-CG1 3.75Å; F412-I442 HydrophobicContact CD2-CG1 4.09Å; F412-I442 HydrophobicContact CE1-CG1 3.99Å; F412-I442 HydrophobicContact CE2-CG1 4.34Å; F412-I442 HydrophobicContact CG-CD1 4.47Å; F412-I442 HydrophobicContact CG-CG1 3.8Å; F412-I442 HydrophobicContact CZ-CG1 4.29Å; I421-I442 HydrophobicContact CD1-CD1 3.38Å; I421-I442 HydrophobicContact CG2-CD1 4.36Å; L437-I442 CarbonylContact C-O 3.59Å; L437-I442 HydrophobicContact CB-CB 4.06Å; L437-I442 HydrophobicContact CB-CD1 4.43Å; L437-I442 HydrophobicContact CB-CG2 4.28Å; L437-I442 HydrophobicContact CD2-CD1 3.67Å; L437-I442 VanDerWaalsContact O-CB 3.3Å; L437-I442 WeakPolarHBondContact O-CB 3.27Å; L437-I442 PolarHBondContact O-N 3.39Å; K438-I442 WeakPolarHBondContact CA-O 3.5Å; K438-I442 PolarHBondContact N-O 2.84Å; C440-I442 VanDerWaalsContact C-N 3.34Å; C440-I442 HydrophobicContact CB-CD1 3.99Å; C440-I442 HydrophobicContact CB-CG1 4.34Å; I442-L448 HydrophobicContact CD1-CD2 3.82Å; I442-L448 HydrophobicContact CG1-CD2 4.02Å; I442-L448 HydrophobicContact CG2-CD2 4.17Å; I442-V463 HydrophobicContact CG2-CB 4.28Å; I442-V463 HydrophobicContact CG2-CG1 4.26Å; I442-V463 HydrophobicContact CG2-CG2 3.96Å
443N84.2Confident84.3Confident73 Ų7361.3 Ų61.339%0.3930%0.304SS..  trans-130.4-178.7-175.6-66.9-77.8000109.9G441 G445 S446G441-N443 PolarHBondContact O-ND2 2.83Å; N443-G445 PolarHBondContact O-N 3.07Å; N443-S446 PolarHBondContact N-OG 3.45Å; N443-S446 WeakPolarHBondContact O-CB 3.27Å; N443-S446 PolarHBondContact O-N 3.27Å; N443-S446 PolarHBondContact O-OG 3.41Å
444H84.7Confident84.9Confident121 Ų12160.7 Ų60.756%0.5631%0.307SS*.THydrogen-bonded Turntrans-51.7127171-175.794.3000110.8N465H444-N465 HydrophobicContact CB-CB 3.77Å; H444-N465 PolarHBondContact ND1-N 3.11Å
445G84.5Confident85.5Confident39 Ų3959.2 Ų59.240%0.40230%0.301SS..THydrogen-bonded Turntrans86.1-2.9-177.900000115.2N443 V463N443-G445 PolarHBondContact O-N 3.07Å; G445-V463 WeakPolarHBondContact CA-O 3.36Å; G445-V463 PolarHBondContact N-O 3.44Å
446S87.4Confident85.9Confident18 Ų1862.1 Ų62.113%0.12632%0.321CS..  trans-63.8141175.8-73.20000111.2N443 V463N443-S446 PolarHBondContact N-OG 3.45Å; N443-S446 WeakPolarHBondContact O-CB 3.27Å; N443-S446 PolarHBondContact O-N 3.27Å; N443-S446 PolarHBondContact O-OG 3.41Å; S446-V463 PolarHBondContact O-N 2.98Å
447R88Confident86.2Confident127 Ų12764.3 Ų64.348%0.47933%0.327SS..EExtended strand (participates in β ladder)trans-106.5129.8175.9-67.8180176-125.8-7.9110L461 L462 E497R447-L461 CarbonylContact C-O 3.58Å; R447-L461 WeakPolarHBondContact CA-O 3.35Å; R447-L462 HydrophobicContact CG-CD1 4.01Å; R447-E497 IonicContact NH1-OE1 3.78Å; R447-E497 PolarHBondContact NH1-OE1 3Å
448L89.5Confident86.5Confident0 Ų065.6 Ų65.60%035%0.346CS..EExtended strand (participates in β ladder)trans-111.6129.4176.8-53.9-179.2000108.7I395 V410 Y411 F412 I421 I442 E460 L461 V463I395-L448 HydrophobicContact CD1-CD1 3.52Å; V410-L448 HydrophobicContact CG1-CB 4Å; V410-L448 HydrophobicContact CG1-CD1 4.37Å; Y411-L448 CarbonylContact O-C 3.59Å; Y411-L448 WeakPolarHBondContact O-CA 3.31Å; F412-L448 HydrophobicContact CB-CD2 3.76Å; F412-L448 HydrophobicContact CD2-CD2 3.81Å; F412-L448 HydrophobicContact CG-CD2 4.07Å; I421-L448 HydrophobicContact CD1-CD1 4.27Å; I421-L448 HydrophobicContact CD1-CD2 3.94Å; I442-L448 HydrophobicContact CD1-CD2 3.82Å; I442-L448 HydrophobicContact CG1-CD2 4.02Å; I442-L448 HydrophobicContact CG2-CD2 4.17Å; L448-E460 CarbonylContact O-C 3.51Å; L448-E460 WeakPolarHBondContact O-CA 3.46Å; L448-L461 HydrophobicContact CB-CB 4.11Å; L448-L461 PolarHBondContact N-O 3.45Å; L448-L461 PolarHBondContact O-N 3.03Å; L448-V463 HydrophobicContact CD1-CG2 3.71Å; L448-V463 HydrophobicContact CG-CG2 3.95Å
449T90.9Very high86.6Confident32 Ų3260.6 Ų60.620%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-95.6114.8171.3-55.10000108Y411 K451 E460Y411-T449 PolarHBondContact N-O 3.09Å; Y411-T449 PolarHBondContact O-N 3.08Å; T449-K451 HydrophobicContact CG2-CG 4.48Å; T449-E460 VanDerWaalsContact OG1-CD 3.31Å; T449-E460 PolarHBondContact OG1-OE1 3.38Å; T449-E460 PolarHBondContact OG1-OE2 2.86Å
450C90.8Very high86.9Confident0 Ų056.7 Ų56.70%031%0.307CS..EExtended strand (participates in β ladder)trans-105.4131.1179.7-57.70000109.5L399 M405 D409 V410 G458 A459 L461L399-C450 HydrophobicContact CD2-CB 4.27Å; M405-C450 HydrophobicContact CE-CB 3.72Å; M405-C450 HydrophobicContact SD-CB 4.3Å; D409-C450 CarbonylContact O-C 3.57Å; D409-C450 WeakPolarHBondContact O-CA 3.43Å; V410-C450 HydrophobicContact CG2-CB 4.49Å; C450-G458 VanDerWaalsContact O-CA 3.3Å; C450-G458 WeakPolarHBondContact O-CA 3.23Å; C450-A459 PolarHBondContact N-O 3.04Å; C450-A459 PolarHBondContact O-N 3.27Å; C450-L461 HydrophobicContact CB-CD1 4.33Å; C450-L461 WeakPolarHBondContact SG-CD1 3.33Å
451K91.9Very high87.1Confident87 Ų8755.3 Ų55.338%0.37830%0.297SS..EExtended strand (participates in β ladder)trans-127.8144.8179.2-66.2-172.2178.6-179.70109.6P408 D409 Y411 T449 F453P408-K451 CarbonylContact C-O 3.54Å; P408-K451 WeakPolarHBondContact CA-O 3.47Å; D409-K451 PolarHBondContact N-O 3.48Å; D409-K451 PolarHBondContact O-N 3.44Å; Y411-K451 HydrophobicContact CE2-CD 4.19Å; Y411-K451 HydrophobicContact CE2-CG 4.48Å; T449-K451 HydrophobicContact CG2-CG 4.48Å; K451-F453 HydrophobicContact CB-CE2 4.34Å; K451-F453 HydrophobicContact CB-CZ 4.22Å; K451-F453 HydrophobicContact CD-CE1 3.97Å; K451-F453 HydrophobicContact CD-CZ 3.8Å
452D89.8Confident87.2Confident2 Ų256 Ų561%0.01129%0.292CS..EExtended strand (participates in β ladder)trans-127.5102.8167.5-172.6-47000107.2M405 R406 S407 D454 M455 D456 Y457M405-D452 WeakPolarHBondContact CA-OD2 3.36Å; M405-D452 HydrophobicContact CB-CB 4.42Å; M405-D452 WeakPolarHBondContact CB-OD2 3.43Å; M405-D452 HydrophobicContact CG-CB 4.19Å; R406-D452 WeakPolarHBondContact CA-OD2 3.49Å; R406-D452 PolarHBondContact N-OD2 2.91Å; S407-D452 PolarHBondContact N-OD2 3.03Å; D452-D454 VanDerWaalsContact C-N 3.3Å; D452-D454 WeakPolarHBondContact OD1-CB 3.42Å; D452-D454 PolarHBondContact OD1-N 3.41Å; D452-D454 VanDerWaalsContact OD1-N 3.09Å; D452-M455 HydrophobicContact CB-CB 4.34Å; D452-M455 HydrophobicContact CB-CE 4.13Å; D452-M455 PolarHBondContact O-N 2.93Å; D452-M455 WeakPolarHBondContact OD1-CG 3.29Å; D452-M455 PolarHBondContact OD1-N 3.33Å; D452-D456 PolarHBondContact O-N 3.02Å; D452-D456 VanDerWaalsContact O-N 3.1Å; D452-Y457 PolarHBondContact N-O 3.12Å; D452-Y457 PolarHBondContact O-N 3.44Å; D452-Y457 VanDerWaalsContact O-N 3.08Å
453F89.9Confident87.2Confident123 Ų12356 Ų5654%0.53929%0.293SS..THydrogen-bonded Turntrans-71.4-27.2-176-63.3-73.1000112.4D409 K451 M455D409-F453 HydrophobicContact CB-CE2 4.07Å; D409-F453 WeakPolarHBondContact OD2-CD2 3.28Å; D409-F453 WeakPolarHBondContact OD2-CE2 3.38Å; K451-F453 HydrophobicContact CB-CE2 4.34Å; K451-F453 HydrophobicContact CB-CZ 4.22Å; K451-F453 HydrophobicContact CD-CE1 3.97Å; K451-F453 HydrophobicContact CD-CZ 3.8Å; F453-M455 VanDerWaalsContact C-N 3.27Å; F453-M455 PolarHBondContact O-N 3.42Å
454D88.2Confident87.1Confident109 Ų10954.7 Ų54.758%0.58329%0.285SS*.THydrogen-bonded Turntrans-68.2-30.6176.9-73.3-21.9000111.6S407 D452S407-D454 VanDerWaalsContact CB-OD2 3.25Å; S407-D454 WeakPolarHBondContact CB-OD2 3.35Å; S407-D454 PolarHBondContact OG-OD2 3.29Å; D452-D454 VanDerWaalsContact C-N 3.3Å; D452-D454 WeakPolarHBondContact OD1-CB 3.42Å; D452-D454 PolarHBondContact OD1-N 3.41Å; D452-D454 VanDerWaalsContact OD1-N 3.09Å
455M86.2Confident86.9Confident82 Ų8251.8 Ų51.840%0.40427%0.274SS..THydrogen-bonded Turntrans-102.3-2.7-178.7-59.1-160.5-46.900114.7K404 M405 R406 D452 F453 Y457K404-M455 WeakPolarHBondContact O-CE 3.14Å; M405-M455 HydrophobicContact CB-CE 4.45Å; M405-M455 HydrophobicContact CG-CE 4.39Å; R406-M455 HydrophobicContact CB-CG 4.31Å; R406-M455 HydrophobicContact CB-SD 4.27Å; D452-M455 HydrophobicContact CB-CB 4.34Å; D452-M455 HydrophobicContact CB-CE 4.13Å; D452-M455 PolarHBondContact O-N 2.93Å; D452-M455 WeakPolarHBondContact OD1-CG 3.29Å; D452-M455 PolarHBondContact OD1-N 3.33Å; F453-M455 VanDerWaalsContact C-N 3.27Å; F453-M455 PolarHBondContact O-N 3.42Å; M455-Y457 HydrophobicContact CE-CD1 4.28Å; M455-Y457 HydrophobicContact CE-CG 4.48Å; M455-Y457 PolarHBondContact O-N 3.49Å
456D88.3Confident86.3Confident162 Ų16251.2 Ų51.287%0.86626%0.264SS*.THydrogen-bonded Turntrans4942.4-168.6-165.930.7000112D452D452-D456 PolarHBondContact O-N 3.02Å; D452-D456 VanDerWaalsContact O-N 3.1Å
457Y83.9Confident85.5Confident72 Ų7259 Ų5928%0.28230%0.298SS..EExtended strand (participates in β ladder)trans-116.2142-176.4179.8-111.7000110.6M403 M405 D452 M455 A459M403-Y457 HydrophobicContact CE-CE1 4.41Å; M405-Y457 HydrophobicContact CE-CD1 3.65Å; M405-Y457 HydrophobicContact CE-CE1 3.56Å; M405-Y457 HydrophobicContact CG-CD1 4.22Å; M405-Y457 HydrophobicContact CG-CE1 4.44Å; D452-Y457 PolarHBondContact N-O 3.12Å; D452-Y457 PolarHBondContact O-N 3.44Å; D452-Y457 VanDerWaalsContact O-N 3.08Å; M455-Y457 HydrophobicContact CE-CD1 4.28Å; M455-Y457 HydrophobicContact CE-CG 4.48Å; M455-Y457 PolarHBondContact O-N 3.49Å; Y457-A459 HydrophobicContact CE1-CB 4.25Å
458G85.2Confident84.4Confident49 Ų4960.5 Ų60.551%0.50532%0.316SS..EExtended strand (participates in β ladder)trans-148.3145176.800000111.4C450C450-G458 VanDerWaalsContact O-CA 3.3Å; C450-G458 WeakPolarHBondContact O-CA 3.23Å
459A85Confident83.3Confident6 Ų662.3 Ų62.35%0.0533%0.325CS..EExtended strand (participates in β ladder)trans-147.5153.1-178.900000110.5M403 M405 C450 Y457M403-A459 HydrophobicContact CE-CB 3.14Å; M405-A459 HydrophobicContact CE-CB 4.5Å; C450-A459 PolarHBondContact N-O 3.04Å; C450-A459 PolarHBondContact O-N 3.27Å; Y457-A459 HydrophobicContact CE1-CB 4.25Å
460E86.2Confident81.8Confident23 Ų2365.8 Ų65.811%0.10734%0.343CS..EExtended strand (participates in β ladder)trans-107.7128173.8-61.6-75.3172.100108.2L448 T449 R495 E497 E498L448-E460 CarbonylContact O-C 3.51Å; L448-E460 WeakPolarHBondContact O-CA 3.46Å; T449-E460 VanDerWaalsContact OG1-CD 3.31Å; T449-E460 PolarHBondContact OG1-OE1 3.38Å; T449-E460 PolarHBondContact OG1-OE2 2.86Å; E460-R495 IonicContact OE1-CZ 3.33Å; E460-R495 IonicContact OE1-NH1 3.49Å; E460-R495 PolarHBondContact OE1-NH1 2.97Å; E460-R495 IonicContact OE1-NH2 2.78Å; E460-R495 PolarHBondContact OE1-NH2 3.18Å; E460-E497 HydrophobicContact CB-CG 4.45Å; E460-E498 PolarHBondContact O-N 2.99Å
461L86.7Confident80.3Confident1 Ų168 Ų681%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-109120.7-179-89.8156.4000110L399 M403 R447 L448 C450 L476 E498 L500L399-L461 HydrophobicContact CD2-CD1 3.4Å; L399-L461 VanDerWaalsContact CD2-CD1 3.4Å; M403-L461 HydrophobicContact CE-CD1 4.1Å; M403-L461 HydrophobicContact CE-CG 4.35Å; M403-L461 HydrophobicContact SD-CD1 3.5Å; M403-L461 VanDerWaalsContact SD-CD1 3.5Å; M403-L461 HydrophobicContact SD-CD2 4.32Å; M403-L461 HydrophobicContact SD-CG 4.13Å; R447-L461 CarbonylContact C-O 3.58Å; R447-L461 WeakPolarHBondContact CA-O 3.35Å; L448-L461 HydrophobicContact CB-CB 4.11Å; L448-L461 PolarHBondContact N-O 3.45Å; L448-L461 PolarHBondContact O-N 3.03Å; C450-L461 HydrophobicContact CB-CD1 4.33Å; C450-L461 WeakPolarHBondContact SG-CD1 3.33Å; L461-L476 HydrophobicContact CD2-CD1 3.69Å; L461-E498 CarbonylContact C-O 3.56Å; L461-E498 VanDerWaalsContact CA-O 3.28Å; L461-E498 WeakPolarHBondContact CA-O 3.45Å; L461-E498 HydrophobicContact CD2-CB 4.2Å; L461-L500 HydrophobicContact CD2-CB 3.58Å; L461-L500 HydrophobicContact CD2-CD2 4.36Å
462L84.4Confident78.8Confident48 Ų4865.7 Ų65.725%0.25136%0.36SS..EExtended strand (participates in β ladder)trans-92.4117.4171.417966.7000109.7R447 L464 E498 V499 L500R447-L462 HydrophobicContact CG-CD1 4.01Å; L462-L464 HydrophobicContact CD2-CD2 4.13Å; L462-L464 HydrophobicContact CG-CD2 4.13Å; L462-L464 HydrophobicContact CG-CG 4.49Å; L462-E498 PolarHBondContact N-O 3.44Å; L462-V499 HydrophobicContact CB-CG2 4.34Å; L462-V499 HydrophobicContact CD2-CG1 4.45Å; L462-V499 HydrophobicContact CD2-CG2 4.3Å; L462-L500 PolarHBondContact O-N 3.02Å
463V85.7Confident77.6Confident1 Ų169.9 Ų69.91%0.00638%0.382CS..EExtended strand (participates in β ladder)trans-85.7118.6-179.9178.60000110.2I442 G445 S446 L448 L500 V502I442-V463 HydrophobicContact CG2-CB 4.28Å; I442-V463 HydrophobicContact CG2-CG1 4.26Å; I442-V463 HydrophobicContact CG2-CG2 3.96Å; G445-V463 WeakPolarHBondContact CA-O 3.36Å; G445-V463 PolarHBondContact N-O 3.44Å; S446-V463 PolarHBondContact O-N 2.98Å; L448-V463 HydrophobicContact CD1-CG2 3.71Å; L448-V463 HydrophobicContact CG-CG2 3.95Å; V463-L500 CarbonylContact C-O 3.44Å; V463-L500 VanDerWaalsContact CA-O 3.31Å; V463-L500 WeakPolarHBondContact CA-O 3.5Å; V463-V502 HydrophobicContact CG1-CG2 3.67Å
464L82.7Confident76.8Confident46 Ų4665.7 Ų65.724%0.24136%0.363CS..EExtended strand (participates in β ladder)trans-111.9120.1172.8-60.1-177.1000110.1L462 S466 V499 L500 S501 V502L462-L464 HydrophobicContact CD2-CD2 4.13Å; L462-L464 HydrophobicContact CG-CD2 4.13Å; L462-L464 HydrophobicContact CG-CG 4.49Å; L464-S466 PolarHBondContact O-N 2.9Å; L464-V499 HydrophobicContact CD1-CG1 3.41Å; L464-V499 VanDerWaalsContact CD1-CG1 3.41Å; L464-V499 HydrophobicContact CG-CG1 3.79Å; L464-L500 PolarHBondContact N-O 2.98Å; L464-S501 CarbonylContact O-C 3.59Å; L464-S501 VanDerWaalsContact O-CA 3.27Å; L464-S501 WeakPolarHBondContact O-CA 2.97Å; L464-V502 PolarHBondContact O-N 3.32Å; L464-V502 VanDerWaalsContact O-O 3.07Å
465N79.1Confident76.3Confident60 Ų6064.4 Ų64.432%0.32136%0.356SS..  trans-64.1128.4168.2-166.735.1000110.5H444 V502 V504H444-N465 HydrophobicContact CB-CB 3.77Å; H444-N465 PolarHBondContact ND1-N 3.11Å; N465-V502 WeakPolarHBondContact CA-O 3.45Å; N465-V504 HydrophobicContact CB-CB 4.26Å; N465-V504 HydrophobicContact CB-CG2 3.38Å; N465-V504 VanDerWaalsContact CG-CG2 3.47Å; N465-V504 WeakPolarHBondContact OD1-CB 3.37Å; N465-V504 WeakPolarHBondContact OD1-CG2 3.39Å; N465-V504 PolarHBondContact OD1-N 3.38Å
466S72.6Confident75.9Confident27 Ų2762.4 Ų62.419%0.18935%0.347CS..  trans-124127.9167.8-174.50000110L464 D468L464-S466 PolarHBondContact O-N 2.9Å; S466-D468 VanDerWaalsContact C-N 3.29Å; S466-D468 PolarHBondContact OG-N 2.93Å
467E70.2Confident75.4Confident182 Ų18259.9 Ų59.985%0.8533%0.33SS*.SBendtrans-82.4-12172.7-64-176.6177.600111.9
468D66Low74.9Confident159 Ų15964.3 Ų64.385%0.8535%0.346SS*.SBendtrans-88.9-4.3-178.3-61.1-43.4000113.1S466S466-D468 VanDerWaalsContact C-N 3.29Å; S466-D468 PolarHBondContact OG-N 2.93Å
469I65.1Low73.7Confident37 Ų3766.7 Ų66.719%0.1934%0.34CS..SBendtrans-108132.8-179.3-58.2177.3000108.6D473 L475 P503I469-D473 HydrophobicContact CG2-CB 3.75Å; I469-D473 WeakPolarHBondContact CG2-O 3.33Å; I469-L475 HydrophobicContact CD1-CB 4.09Å; I469-P503 HydrophobicContact CB-CG 4.25Å; I469-P503 HydrophobicContact CG2-CG 4.27Å; I469-P503 VanDerWaalsContact O-CG 3.31Å; I469-P503 WeakPolarHBondContact O-CG 3.48Å
470D60.5Low72.3Confident106 Ų10671.4 Ų71.457%0.56737%0.365SS*.  trans-60.3146.4175.6-79-32.8000111S472 D473 P503D470-S472 PolarHBondContact O-N 3.46Å; D470-D473 PolarHBondContact O-N 3.38Å; D470-P503 WeakPolarHBondContact O-CG 3.42Å
471G59.2Low70.7Confident47 Ų4774.8 Ų74.849%0.48538%0.379SS..THydrogen-bonded Turntrans-57.50.9-179.500000117.3C506G471-C506 VanDerWaalsContact C-SG 3.53Å; G471-C506 PolarHBondContact O-SG 3.27Å
472S59.3Low68.6Low37 Ų3778.7 Ų78.726%0.25941%0.407SS..THydrogen-bonded Turntrans-120.53.4176.763.60000113.1E391 D470E391-S472 WeakPolarHBondContact O-CA 3.48Å; E391-S472 WeakPolarHBondContact O-CB 3.4Å; D470-S472 PolarHBondContact O-N 3.46Å
473D64.2Low66.8Low90 Ų9083.5 Ų83.548%0.48143%0.432SS..  trans-121.1165.1-175.4-155.13.1000110.9I469 D470 P503I469-D473 HydrophobicContact CG2-CB 3.75Å; I469-D473 WeakPolarHBondContact CG2-O 3.33Å; D470-D473 PolarHBondContact O-N 3.38Å; D473-P503 WeakPolarHBondContact O-CD 3.48Å
474Y75.1Confident65.1Low35 Ų3589.9 Ų89.914%0.13746%0.462CS..  trans-156158.6-179.963.5-83.4000111L393 V398 E402 L500 S501 V502L393-Y474 HydrophobicContact CD1-CD1 3.34Å; L393-Y474 HydrophobicContact CD1-CE1 3.54Å; L393-Y474 HydrophobicContact CD1-CG 4.42Å; L393-Y474 HydrophobicContact CD2-CD1 3.53Å; L393-Y474 HydrophobicContact CD2-CE1 4.46Å; L393-Y474 HydrophobicContact CD2-CG 3.86Å; L393-Y474 HydrophobicContact CG-CD1 4.06Å; V398-Y474 HydrophobicContact CB-CE2 4.42Å; V398-Y474 HydrophobicContact CG1-CD2 4.03Å; V398-Y474 HydrophobicContact CG1-CE2 3.71Å; V398-Y474 HydrophobicContact CG2-CD1 3.94Å; V398-Y474 HydrophobicContact CG2-CD2 4.28Å; V398-Y474 HydrophobicContact CG2-CE1 3.75Å; V398-Y474 HydrophobicContact CG2-CE2 4.14Å; V398-Y474 HydrophobicContact CG2-CG 4.18Å; E402-Y474 HydrophobicContact CG-CE2 3.7Å; E402-Y474 WeakPolarHBondContact CG-OH 3.38Å; E402-Y474 PolarHBondContact OE1-OH 3.24Å; Y474-L500 HydrophobicContact CD2-CD1 3.74Å; Y474-L500 HydrophobicContact CG-CD1 4.2Å; Y474-S501 WeakPolarHBondContact CA-O 3.1Å; Y474-V502 VanDerWaalsContact CB-CG1 3.49Å
475L76.8Confident63.2Low82 Ų8292.7 Ų92.743%0.42948%0.477SS..EExtended strand (participates in β ladder)trans-123.7120.4173.8-173.3110.4000108.8I469 E477 S501I469-L475 HydrophobicContact CD1-CB 4.09Å; L475-E477 HydrophobicContact CD2-CG 3.58Å; L475-E477 WeakPolarHBondContact CD2-OE1 3.24Å; L475-E477 HydrophobicContact CG-CG 4.36Å; L475-S501 PolarHBondContact N-O 2.75Å; L475-S501 PolarHBondContact O-N 3.13Å
476L78.4Confident61.4Low40 Ų4099.5 Ų99.521%0.20951%0.507CS..EExtended strand (participates in β ladder)trans-103.7115.9175.3-172.774.5000109.5E402 M403 L461 E498 V499 L500E402-L476 HydrophobicContact CB-CD2 3.48Å; E402-L476 VanDerWaalsContact CB-CD2 3.48Å; E402-L476 HydrophobicContact CG-CD2 4.16Å; M403-L476 HydrophobicContact CG-CD2 4.35Å; L461-L476 HydrophobicContact CD2-CD1 3.69Å; L476-E498 HydrophobicContact CD1-CB 4.18Å; L476-V499 WeakPolarHBondContact CA-O 3.48Å; L476-L500 HydrophobicContact CD1-CB 4.03Å; L476-L500 HydrophobicContact CD1-CD1 4.13Å
477E78Confident60.3Low110 Ų110101.8 Ų101.851%0.51454%0.535SS..EExtended strand (participates in β ladder)trans-109.4136.1175-67.3-175.4158.300110.3L475 V499L475-E477 HydrophobicContact CD2-CG 3.58Å; L475-E477 WeakPolarHBondContact CD2-OE1 3.24Å; L475-E477 HydrophobicContact CG-CG 4.36Å; E477-V499 HydrophobicContact CB-CB 4.38Å; E477-V499 PolarHBondContact N-O 2.94Å; E477-V499 PolarHBondContact O-N 2.94Å
478R71.7Confident59Low164 Ų164100 Ų10062%0.61953%0.526SS*.EExtended strand (participates in β ladder)trans-90.8123174.6-70.1-173167.71557.6109.8E498R478-E498 HydrophobicContact CG-CG 4.11Å; R478-E498 WeakPolarHBondContact CG-OE1 3.5Å; R478-E498 IonicContact CZ-OE1 2.55Å; R478-E498 IonicContact NE-OE1 2.85Å; R478-E498 PolarHBondContact NE-OE1 2.87Å; R478-E498 IonicContact NH2-OE1 2.84Å
479Y60.9Low58Low99 Ų9997.9 Ų97.939%0.38852%0.521SS..EExtended strand (participates in β ladder)trans-107.7110.5178.8-162.4-89.9000110.4K481 E484 E497Y479-K481 HydrophobicContact CD1-CG 4.2Å; Y479-K481 HydrophobicContact CE1-CG 4.18Å; Y479-K481 PolarHBondContact O-N 3.33Å; Y479-E484 VanDerWaalsContact OH-CD 3.24Å; Y479-E484 PolarHBondContact OH-OE1 2.88Å; Y479-E484 VanDerWaalsContact OH-OE1 3.07Å; Y479-E497 CarbonylContact C-O 3.59Å; Y479-E497 PolarHBondContact N-O 3.27Å
480D55Low56.8Low106 Ų106104.7 Ų104.757%0.56756%0.557SS**  trans-87.9101.5174-161.8-24000110S482 L483D480-S482 PolarHBondContact O-N 2.95Å; D480-S482 WeakPolarHBondContact OD1-CB 3.3Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 VanDerWaalsContact OD1-N 3.15Å; D480-S482 PolarHBondContact OD1-OG 3.45Å; D480-S482 PolarHBondContact OD2-OG 3.38Å; D480-L483 PolarHBondContact O-N 2.86Å
481K52.4Low55.8Low93 Ų93104 Ų10440%0.40457%0.567SS.*G310 helixtrans-60.3-10.4178.8-106.9-178.3171.4167.80114.7Y479 L483 E497Y479-K481 HydrophobicContact CD1-CG 4.2Å; Y479-K481 HydrophobicContact CE1-CG 4.18Å; Y479-K481 PolarHBondContact O-N 3.33Å; K481-L483 PolarHBondContact O-N 3.45Å; K481-L483 VanDerWaalsContact O-N 3.15Å; K481-E497 HydrophobicContact CD-CG 4.41Å; K481-E497 VanDerWaalsContact CD-OE2 3.25Å; K481-E497 WeakPolarHBondContact CD-OE2 3.32Å; K481-E497 WeakPolarHBondContact CE-OE2 3.38Å; K481-E497 IonicContact NZ-OE1 2.74Å; K481-E497 PolarHBondContact NZ-OE1 2.73Å; K481-E497 IonicContact NZ-OE2 2.78Å; K481-E497 PolarHBondContact NZ-OE2 2.97Å
482S43.7Very low54.8Low84 Ų84111.5 Ų111.559%0.58759%0.586SS**G310 helixtrans-65.4-11.5178.359.40000114.1D480D480-S482 PolarHBondContact O-N 2.95Å; D480-S482 WeakPolarHBondContact OD1-CB 3.3Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 VanDerWaalsContact OD1-N 3.15Å; D480-S482 PolarHBondContact OD1-OG 3.45Å; D480-S482 PolarHBondContact OD2-OG 3.38Å
483L47.1Very low53.7Low148 Ų148119.2 Ų119.278%0.77562%0.615SS**G310 helixtrans-89.4-13.5-178-69.7165000115.4D480 K481D480-L483 PolarHBondContact O-N 2.86Å; K481-L483 PolarHBondContact O-N 3.45Å; K481-L483 VanDerWaalsContact O-N 3.15Å
484E48.2Very low52.1Low135 Ų135120.1 Ų120.163%0.63163%0.628SS**THydrogen-bonded Turntrans-97.6-16.6-179.1-73.3-169.9151.100114.6Y479Y479-E484 VanDerWaalsContact OH-CD 3.24Å; Y479-E484 PolarHBondContact OH-OE1 2.88Å; Y479-E484 VanDerWaalsContact OH-OE1 3.07Å
485N44.1Very low50.7Low105 Ų105127.1 Ų127.156%0.56165%0.654SS**  trans-114.568.6-177.2-78.8-8.3000112.2G487N485-G487 PolarHBondContact O-N 2.92Å
486E40.7Very low49.4Very low203 Ų203127.8 Ų127.895%0.94966%0.656SS**THydrogen-bonded Turntrans-67.984.2159.5-74-161.3161.200109.2
487G49.2Very low48.4Very low76 Ų76127.5 Ų127.578%0.78465%0.654SS**THydrogen-bonded Turntrans163.2-13.4174.800000117.7N485N485-G487 PolarHBondContact O-N 2.92Å
488E43.6Very low47.6Very low143 Ų143122.3 Ų122.367%0.66863%0.629SS**SBendtrans-101.5143.7-179.8-82.4-168.9150.100113.7L490E488-L490 PolarHBondContact O-N 2.76Å
489P44.8Very low47.1Very low115 Ų115115.3 Ų115.375%0.74761%0.605SS**  trans-62.7135.9-178.1-16.329.1000112.2A491P489-A491 PolarHBondContact O-N 2.96Å
490L40.4Very low47.2Very low180 Ų180110.7 Ų110.794%0.94259%0.587SS**SBendtrans-58.319.7179.2-86.2129.6000117E488 K492E488-L490 PolarHBondContact O-N 2.76Å; L490-K492 PolarHBondContact O-N 2.58Å
491A39.3Very low47.3Very low92 Ų92106.4 Ų106.476%0.7657%0.565SS**  trans-90.87.5-168.500000115.9P489P489-A491 PolarHBondContact O-N 2.96Å
492K38Very low47.6Very low204 Ų204102 Ų10289%0.88755%0.546SS*.SBendtrans-121.594.6166.7-79.2-176.6178.6175.20110L490 S494L490-K492 PolarHBondContact O-N 2.58Å; K492-S494 PolarHBondContact O-N 3.2Å
493K35.9Very low48Very low200 Ų20098.6 Ų98.687%0.8752%0.522SS*.  trans-55.4121174.2-81180172.3-179.70111.1
494S31.6Very low48.2Very low108 Ų10892 Ų9276%0.75549%0.488SS*.  trans43.285.8148.565.70000117.9K492K492-S494 PolarHBondContact O-N 3.2Å
495R44.7Very low48.3Very low183 Ų18391.5 Ų91.569%0.69149%0.489SS*.  trans-98.2108.8146.1-102.5-179.9165.6-151.4-18107E460E460-R495 IonicContact OE1-CZ 3.33Å; E460-R495 IonicContact OE1-NH1 3.49Å; E460-R495 PolarHBondContact OE1-NH1 2.97Å; E460-R495 IonicContact OE1-NH2 2.78Å; E460-R495 PolarHBondContact OE1-NH2 3.18Å
496M49.1Very low48.5Very low96 Ų9687.3 Ų87.347%0.47347%0.468SS..  trans-71.8127.7167.2-75.317878.300107.8
497E57.1Low48.9Very low33 Ų3381.5 Ų81.515%0.15444%0.444CS..EExtended strand (participates in β ladder)trans-101.1126.9167.5-70-170.2161.200107.3R447 E460 Y479 K481R447-E497 IonicContact NH1-OE1 3.78Å; R447-E497 PolarHBondContact NH1-OE1 3Å; E460-E497 HydrophobicContact CB-CG 4.45Å; Y479-E497 CarbonylContact C-O 3.59Å; Y479-E497 PolarHBondContact N-O 3.27Å; K481-E497 HydrophobicContact CD-CG 4.41Å; K481-E497 VanDerWaalsContact CD-OE2 3.25Å; K481-E497 WeakPolarHBondContact CD-OE2 3.32Å; K481-E497 WeakPolarHBondContact CE-OE2 3.38Å; K481-E497 IonicContact NZ-OE1 2.74Å; K481-E497 PolarHBondContact NZ-OE1 2.73Å; K481-E497 IonicContact NZ-OE2 2.78Å; K481-E497 PolarHBondContact NZ-OE2 2.97Å
498E61.9Low48.9Very low1 Ų181.8 Ų81.81%0.00543%0.426CS..EExtended strand (participates in β ladder)trans-109.7141.8173-59.8-166.5153.700108.6M403 E460 L461 L462 L476 R478M403-E498 VanDerWaalsContact CE-OE2 3.27Å; M403-E498 WeakPolarHBondContact CE-OE2 3.21Å; M403-E498 VanDerWaalsContact CG-OE2 3.3Å; M403-E498 WeakPolarHBondContact CG-OE2 3.48Å; E460-E498 PolarHBondContact O-N 2.99Å; L461-E498 CarbonylContact C-O 3.56Å; L461-E498 VanDerWaalsContact CA-O 3.28Å; L461-E498 WeakPolarHBondContact CA-O 3.45Å; L461-E498 HydrophobicContact CD2-CB 4.2Å; L462-E498 PolarHBondContact N-O 3.44Å; L476-E498 HydrophobicContact CD1-CB 4.18Å; R478-E498 HydrophobicContact CG-CG 4.11Å; R478-E498 WeakPolarHBondContact CG-OE1 3.5Å; R478-E498 IonicContact CZ-OE1 2.55Å; R478-E498 IonicContact NE-OE1 2.85Å; R478-E498 PolarHBondContact NE-OE1 2.87Å; R478-E498 IonicContact NH2-OE1 2.84Å
499V61Low49.1Very low17 Ų1778.4 Ų78.410%0.10341%0.413CS..EExtended strand (participates in β ladder)trans-107.7117.1-179.1-178.20000107.5L462 L464 L476 E477L462-V499 HydrophobicContact CB-CG2 4.34Å; L462-V499 HydrophobicContact CD2-CG1 4.45Å; L462-V499 HydrophobicContact CD2-CG2 4.3Å; L464-V499 HydrophobicContact CD1-CG1 3.41Å; L464-V499 VanDerWaalsContact CD1-CG1 3.41Å; L464-V499 HydrophobicContact CG-CG1 3.79Å; L476-V499 WeakPolarHBondContact CA-O 3.48Å; E477-V499 HydrophobicContact CB-CB 4.38Å; E477-V499 PolarHBondContact N-O 2.94Å; E477-V499 PolarHBondContact O-N 2.94Å
500L62.8Low49.4Very low3 Ų376.2 Ų76.22%0.01639%0.393CS..EExtended strand (participates in β ladder)trans-104.6108.2177176.365.3000109.2V398 L461 L462 V463 L464 Y474 L476 V502V398-L500 HydrophobicContact CG1-CD1 3.95Å; V398-L500 HydrophobicContact CG1-CD2 4.42Å; L461-L500 HydrophobicContact CD2-CB 3.58Å; L461-L500 HydrophobicContact CD2-CD2 4.36Å; L462-L500 PolarHBondContact O-N 3.02Å; V463-L500 CarbonylContact C-O 3.44Å; V463-L500 VanDerWaalsContact CA-O 3.31Å; V463-L500 WeakPolarHBondContact CA-O 3.5Å; L464-L500 PolarHBondContact N-O 2.98Å; Y474-L500 HydrophobicContact CD2-CD1 3.74Å; Y474-L500 HydrophobicContact CG-CD1 4.2Å; L476-L500 HydrophobicContact CD1-CB 4.03Å; L476-L500 HydrophobicContact CD1-CD1 4.13Å; L500-V502 HydrophobicContact CD1-CG1 3.75Å; L500-V502 HydrophobicContact CD2-CG1 3.99Å; L500-V502 HydrophobicContact CD2-CG2 4.42Å; L500-V502 HydrophobicContact CG-CG1 3.66Å; L500-V502 HydrophobicContact CG-CG2 4.24Å
501S58.8Low50Low15 Ų1569.8 Ų69.811%0.10536%0.359CS..EExtended strand (participates in β ladder)trans-87.7112.1170.7-61.90000109.1L464 Y474 L475L464-S501 CarbonylContact O-C 3.59Å; L464-S501 VanDerWaalsContact O-CA 3.27Å; L464-S501 WeakPolarHBondContact O-CA 2.97Å; Y474-S501 WeakPolarHBondContact CA-O 3.1Å; L475-S501 PolarHBondContact N-O 2.75Å; L475-S501 PolarHBondContact O-N 3.13Å
502V57.3Low50.7Low1 Ų168.3 Ų68.31%0.00633%0.332CS..  trans-136.5144.8-179.1-78.20000109.8L393 L437 V463 L464 N465 Y474 L500 V504L393-V502 HydrophobicContact CD2-CG1 3.59Å; L437-V502 HydrophobicContact CD1-CG2 4.03Å; V463-V502 HydrophobicContact CG1-CG2 3.67Å; L464-V502 PolarHBondContact O-N 3.32Å; L464-V502 VanDerWaalsContact O-O 3.07Å; N465-V502 WeakPolarHBondContact CA-O 3.45Å; Y474-V502 VanDerWaalsContact CB-CG1 3.49Å; L500-V502 HydrophobicContact CD1-CG1 3.75Å; L500-V502 HydrophobicContact CD2-CG1 3.99Å; L500-V502 HydrophobicContact CD2-CG2 4.42Å; L500-V502 HydrophobicContact CG-CG1 3.66Å; L500-V502 HydrophobicContact CG-CG2 4.24Å; V502-V504 PolarHBondContact O-N 2.79Å
503P53.1Low51.6Low13 Ų1358.6 Ų58.68%0.08429%0.292CS..  trans-60.7127.5167.4-17.631000108.8I469 D470 D473 N505 C506I469-P503 HydrophobicContact CB-CG 4.25Å; I469-P503 HydrophobicContact CG2-CG 4.27Å; I469-P503 VanDerWaalsContact O-CG 3.31Å; I469-P503 WeakPolarHBondContact O-CG 3.48Å; D470-P503 WeakPolarHBondContact O-CG 3.42Å; D473-P503 WeakPolarHBondContact O-CD 3.48Å; P503-N505 PolarHBondContact O-N 3.2Å; P503-C506 WeakPolarHBondContact O-CB 3.48Å; P503-C506 PolarHBondContact O-N 3.48Å; P503-C506 PolarHBondContact O-SG 2.94Å
504V51Low52.8Low10 Ų1047.7 Ų47.76%0.06125%0.248CC..THydrogen-bonded Turntrans-67.8-12.2-175.3167.20000112.6K438 N465 V502 C506K438-V504 HydrophobicContact CB-CG1 3.84Å; K438-V504 WeakPolarHBondContact CB-O 3.17Å; K438-V504 HydrophobicContact CD-CG1 4.19Å; K438-V504 HydrophobicContact CG-CG1 4.08Å; N465-V504 HydrophobicContact CB-CB 4.26Å; N465-V504 HydrophobicContact CB-CG2 3.38Å; N465-V504 VanDerWaalsContact CG-CG2 3.47Å; N465-V504 WeakPolarHBondContact OD1-CB 3.37Å; N465-V504 WeakPolarHBondContact OD1-CG2 3.39Å; N465-V504 PolarHBondContact OD1-N 3.38Å; V502-V504 PolarHBondContact O-N 2.79Å; V504-C506 VanDerWaalsContact C-N 3.26Å
505N49.2Very low54.6Low123 Ų12342.7 Ų42.766%0.65821%0.206SC*.THydrogen-bonded Turntrans-79.3-6.9172.2-65.2-19.1000113.4T436 P503T436-N505 WeakPolarHBondContact CG2-O 3.48Å; P503-N505 PolarHBondContact O-N 3.2Å
506C48.9Very low55.5Low17 Ų1729.9 Ų29.912%0.11516%0.162CC..  trans-72.40175.3-61.90000112.9L393 T436 L437 G471 P503 V504L393-C506 HydrophobicContact CB-CB 4.26Å; T436-C506 WeakPolarHBondContact CB-O 3.48Å; L437-C506 WeakPolarHBondContact CB-O 3.19Å; L437-C506 PolarHBondContact N-O 3.11Å; G471-C506 VanDerWaalsContact C-SG 3.53Å; G471-C506 PolarHBondContact O-SG 3.27Å; P503-C506 WeakPolarHBondContact O-CB 3.48Å; P503-C506 PolarHBondContact O-N 3.48Å; P503-C506 PolarHBondContact O-SG 2.94Å; V504-C506 VanDerWaalsContact C-N 3.26Å

Retrieved 506 of 506 residues in 664.2 ms (Link to these results)

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