A0A3Q0KJ48_SCHMA Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A3Q0KJ48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 892 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
1M31.3Very low68.3Low240 Ų24094.3 Ų94.3100%1.18252%0.518SS*.  0136.90-75.3169.1-177.400106.9
2A33.1Very low70.5Confident87 Ų8787.3 Ų87.372%0.71948%0.481SS*.PPolyproline II helixtrans-58.7141.1165.900000107.8C4A2-C4 PolarHBondContact O-N 2.82Å; A2-C4 VanDerWaalsContact O-N 3.17Å
3P48.6Very low72.5Confident119 Ų11981.1 Ų81.177%0.77345%0.447SS*.PPolyproline II helixtrans-56.5125.3175.922.5-29.9000108.3V5P3-V5 PolarHBondContact O-N 3.29Å; P3-V5 VanDerWaalsContact O-N 3.13Å
4C53.6Low74.2Confident62 Ų6279.1 Ų79.142%0.41944%0.435SS..PPolyproline II helixtrans-58.6118.7176.5-103.30000108.3A2 F6 Y75A2-C4 PolarHBondContact O-N 2.82Å; A2-C4 VanDerWaalsContact O-N 3.17Å; C4-F6 PolarHBondContact O-N 3.05Å; C4-Y75 HydrophobicContact CB-CD1 4.49Å; C4-Y75 HydrophobicContact CB-CE1 4.02Å; C4-Y75 WeakPolarHBondContact SG-CE1 3.44Å
5V64.2Low75.8Confident110 Ų11074 Ų7467%0.66741%0.407SS*.  trans-69.1114.7174.2-178.30000106.9P3P3-V5 PolarHBondContact O-N 3.29Å; P3-V5 VanDerWaalsContact O-N 3.13Å
6F74.1Confident77.2Confident36 Ų3674.2 Ų74.216%0.15841%0.406CS..  trans-67.5136.7172.7169.1-89.6000109C4 W316 S373 N374 P375C4-F6 PolarHBondContact O-N 3.05Å; F6-W316 HydrophobicContact CE1-CH2 4.22Å; F6-W316 HydrophobicContact CE1-CZ2 4.12Å; F6-W316 HydrophobicContact CZ-CH2 4.16Å; F6-W316 HydrophobicContact CZ-CZ2 4.5Å; F6-S373 VanDerWaalsContact CB-O 3.29Å; F6-S373 WeakPolarHBondContact CB-O 3.2Å; F6-S373 WeakPolarHBondContact CD1-O 3.47Å; F6-S373 WeakPolarHBondContact CG-O 3.45Å; F6-N374 HydrophobicContact CB-CB 4.31Å; F6-P375 HydrophobicContact CD2-CG 3.72Å; F6-P375 HydrophobicContact CE2-CG 3.37Å; F6-P375 HydrophobicContact CG-CG 4.48Å; F6-P375 HydrophobicContact CZ-CG 3.85Å
7N79.5Confident78.5Confident105 Ų10572.5 Ų72.556%0.56139%0.392SS*.  trans-122.4132.7176.5-68.1-52.5000108.7
8R87.8Confident79.6Confident81 Ų8168.4 Ų68.431%0.30637%0.371SS..PPolyproline II helixtrans-56.3146.9169.7-62.5-65.3-60.1-79.8-3110.4E141 E143 W316R8-E141 WeakPolarHBondContact CA-OE1 3.45Å; R8-E141 IonicContact CZ-OE2 3.52Å; R8-E141 VanDerWaalsContact NE-CD 3.31Å; R8-E141 IonicContact NE-OE1 2.93Å; R8-E141 PolarHBondContact NE-OE1 2.58Å; R8-E141 IonicContact NE-OE2 3.4Å; R8-E141 PolarHBondContact NE-OE2 3.26Å; R8-E141 IonicContact NH2-OE2 3.73Å; R8-E141 PolarHBondContact NH2-OE2 3.23Å; R8-E143 IonicContact CZ-OE1 3.94Å; R8-E143 IonicContact NH2-OE1 2.7Å; R8-E143 PolarHBondContact NH2-OE1 3.05Å; R8-W316 VanDerWaalsContact CZ-CD2 3.43Å; R8-W316 VanDerWaalsContact NH1-CD2 3.26Å; R8-W316 VanDerWaalsContact NH1-CG 3.3Å
9L92.8Very high80.6Confident7 Ų768.3 Ų68.34%0.03737%0.367CS..PPolyproline II helixtrans-61.3145.1173.1-69.5-179.5000110.8L49 N51 L139 E141 F144L9-L49 HydrophobicContact CD2-CB 4.5Å; L9-L49 HydrophobicContact CD2-CD2 3.89Å; L9-L49 HydrophobicContact CD2-CG 3.85Å; L9-N51 VanDerWaalsContact CD1-OD1 3.28Å; L9-N51 WeakPolarHBondContact CD1-OD1 3.05Å; L9-L139 HydrophobicContact CD1-CB 3.84Å; L9-L139 HydrophobicContact CD1-CD2 4.21Å; L9-L139 HydrophobicContact CD1-CG 4Å; L9-E141 HydrophobicContact CD1-CG 4.41Å; L9-E141 PolarHBondContact N-OE1 2.75Å; L9-F144 HydrophobicContact CB-CE2 4.06Å; L9-F144 HydrophobicContact CB-CZ 4.41Å; L9-F144 HydrophobicContact CD1-CE2 4.44Å
10P92.8Very high81.5Confident60 Ų6065.1 Ų65.139%0.3935%0.35SS..PPolyproline II helixtrans-68142.3176.529-34.2000110.8S12P10-S12 PolarHBondContact O-N 3.06Å
11R93.3Very high82.4Confident130 Ų13064.9 Ų64.949%0.49135%0.347SS..THydrogen-bonded Turntrans-78.76.2174.8-67179.5172.4145.2-6.5113.7V13 E143 F144 E315R11-V13 PolarHBondContact O-N 2.85Å; R11-E143 IonicContact CZ-OE1 3.32Å; R11-E143 IonicContact CZ-OE2 2.86Å; R11-E143 IonicContact NE-OE1 3.3Å; R11-E143 IonicContact NE-OE2 3.71Å; R11-E143 PolarHBondContact NE-OE2 3.09Å; R11-E143 IonicContact NH2-OE1 3.17Å; R11-E143 PolarHBondContact NH2-OE1 2.78Å; R11-E143 IonicContact NH2-OE2 3.3Å; R11-E143 PolarHBondContact NH2-OE2 2.92Å; R11-F144 HydrophobicContact CG-CZ 4.42Å; R11-E315 IonicContact NH2-OE1 2.91Å; R11-E315 PolarHBondContact NH2-OE1 3.44Å; R11-E315 VanDerWaalsContact NH2-OE1 3.09Å
12S94.5Very high85.6Confident10 Ų1053.4 Ų53.47%0.0729%0.29CS..THydrogen-bonded Turntrans-67-23.8178.860.20000113.1P10 I41 E42P10-S12 PolarHBondContact O-N 3.06Å; S12-I41 CarbonylContact O-C 3.52Å; S12-I41 WeakPolarHBondContact O-CA 3.45Å; S12-E42 PolarHBondContact O-N 3.17Å
13V96.5Very high88.7Confident7 Ų753.7 Ų53.74%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-124.2124.8178.6-175.20000109.2R11 V39 S40 T45 I48 L139R11-V13 PolarHBondContact O-N 2.85Å; V13-V39 HydrophobicContact CG1-CB 3.69Å; V13-V39 HydrophobicContact CG1-CG1 3.79Å; V13-V39 HydrophobicContact CG1-CG2 4.12Å; V13-S40 CarbonylContact C-O 3.5Å; V13-S40 WeakPolarHBondContact CA-O 3.41Å; V13-T45 HydrophobicContact CG2-CG2 4.02Å; V13-I48 HydrophobicContact CG1-CG2 4.34Å; V13-I48 HydrophobicContact CG2-CG1 4.36Å; V13-L139 WeakPolarHBondContact O-CD2 3.47Å
14I97.1Very high91Very high53 Ų5348.4 Ų48.427%0.27224%0.241SC..EExtended strand (participates in β ladder)trans-114.1127.2179.3-53.9-59.1000109.1V39 S40 E42 F144I14-V39 CarbonylContact O-C 3.56Å; I14-V39 WeakPolarHBondContact O-CA 3.22Å; I14-S40 PolarHBondContact N-O 3.13Å; I14-S40 PolarHBondContact O-N 2.71Å; I14-E42 HydrophobicContact CG1-CG 3.81Å; I14-F144 HydrophobicContact CD1-CD1 4.28Å; I14-F144 HydrophobicContact CD1-CE1 3.95Å
15P98.2Very high93Very high3 Ų347.7 Ų47.72%0.01924%0.236CC..EExtended strand (participates in β ladder)trans-74.6142.7176.330.7-31.9000111.1Y18 L37 L139 F144P15-Y18 HydrophobicContact CB-CE2 3.62Å; P15-Y18 HydrophobicContact CG-CE2 4.26Å; P15-L37 HydrophobicContact CB-CD1 3.95Å; P15-L139 HydrophobicContact CB-CD1 3.99Å; P15-L139 HydrophobicContact CG-CB 4.49Å; P15-L139 HydrophobicContact CG-CD1 4Å; P15-F144 HydrophobicContact CG-CB 3.78Å
16I98.5Very high94.3Very high77 Ų7744.3 Ų44.340%0.39521%0.213SC..EExtended strand (participates in β ladder)trans-111.3-49.1177.8-59.6172000110.6S38 L90 S146 I147I16-S38 PolarHBondContact N-O 3.16Å; I16-L90 HydrophobicContact CD1-CD2 3.63Å; I16-S146 PolarHBondContact O-OG 3.42Å; I16-S146 VanDerWaalsContact O-OG 3.06Å; I16-I147 PolarHBondContact O-N 2.74Å
17R98.7Very high95.2Very high45 Ų4550.4 Ų50.417%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-149.9133-176.3-178.3-174.6-179.481.1-1.3110.4E19 L37 S38 S146 I147 D149 D183R17-E19 HydrophobicContact CG-CG 4.39Å; R17-E19 IonicContact NE-OE1 2.7Å; R17-E19 PolarHBondContact NE-OE1 3.3Å; R17-L37 WeakPolarHBondContact O-CA 3.24Å; R17-S38 PolarHBondContact N-O 2.78Å; R17-S38 PolarHBondContact O-N 2.87Å; R17-S146 WeakPolarHBondContact CA-OG 3.26Å; R17-S146 PolarHBondContact N-OG 3Å; R17-I147 CarbonylContact C-O 3.56Å; R17-I147 WeakPolarHBondContact CA-O 3.31Å; R17-I147 HydrophobicContact CG-CB 4.47Å; R17-I147 HydrophobicContact CG-CG2 4.41Å; R17-D149 VanDerWaalsContact NH2-CB 3.32Å; R17-D149 IonicContact NH2-OD2 3.05Å; R17-D149 PolarHBondContact NH2-OD2 3.41Å; R17-D183 IonicContact CZ-OD1 3.13Å; R17-D183 IonicContact CZ-OD2 2.78Å; R17-D183 IonicContact NH1-OD1 2.74Å; R17-D183 PolarHBondContact NH1-OD1 3.12Å; R17-D183 IonicContact NH1-OD2 3.19Å; R17-D183 PolarHBondContact NH1-OD2 3.5Å; R17-D183 IonicContact NH2-OD1 3.67Å; R17-D183 PolarHBondContact NH2-OD1 3.2Å; R17-D183 IonicContact NH2-OD2 3.34Å; R17-D183 PolarHBondContact NH2-OD2 2.92Å
18Y98.9Very high96Very high0 Ų048.6 Ų48.60%024%0.242CC..EExtended strand (participates in β ladder)trans-104.5127.7166.7-67.1-97.4000109.2P15 L35 S36 L37 F136 C138 L139 S146 I147 F148 D149P15-Y18 HydrophobicContact CB-CE2 3.62Å; P15-Y18 HydrophobicContact CG-CE2 4.26Å; Y18-L35 HydrophobicContact CD1-CD1 3.73Å; Y18-S36 CarbonylContact C-O 3.42Å; Y18-L37 HydrophobicContact CD1-CD1 3.75Å; Y18-L37 HydrophobicContact CD2-CD1 4.12Å; Y18-L37 HydrophobicContact CE1-CD1 3.51Å; Y18-L37 HydrophobicContact CE1-CD2 3.95Å; Y18-L37 HydrophobicContact CE1-CG 4.19Å; Y18-L37 HydrophobicContact CE2-CD1 3.92Å; Y18-L37 HydrophobicContact CG-CD1 4.02Å; Y18-F136 HydrophobicContact CD1-CD2 4.35Å; Y18-F136 HydrophobicContact CD1-CE2 4.3Å; Y18-F136 HydrophobicContact CE1-CE2 4.43Å; Y18-C138 HydrophobicContact CE1-CB 3.69Å; Y18-L139 WeakPolarHBondContact OH-CD1 3.34Å; Y18-L139 PolarHBondContact OH-N 3.23Å; Y18-L139 VanDerWaalsContact OH-N 3.11Å; Y18-S146 VanDerWaalsContact CD2-OG 3.26Å; Y18-S146 WeakPolarHBondContact CD2-OG 3.33Å; Y18-S146 VanDerWaalsContact CE2-CB 3.48Å; Y18-S146 WeakPolarHBondContact CE2-OG 3.38Å; Y18-I147 PolarHBondContact N-O 2.87Å; Y18-F148 HydrophobicContact CD1-CE1 4.44Å; Y18-F148 AromaticContact CD2-CD1 3.91Å; Y18-F148 HydrophobicContact CD2-CD1 3.91Å; Y18-F148 AromaticContact CD2-CE1 3.38Å; Y18-F148 HydrophobicContact CD2-CE1 3.38Å; Y18-F148 AromaticContact CD2-CZ 3.81Å; Y18-F148 HydrophobicContact CD2-CZ 3.81Å; Y18-F148 AromaticContact CE2-CE1 3.97Å; Y18-F148 HydrophobicContact CE2-CE1 3.97Å; Y18-F148 HydrophobicContact CE2-CZ 4.1Å; Y18-F148 AromaticContact CG-CD1 3.94Å; Y18-F148 HydrophobicContact CG-CD1 3.94Å; Y18-F148 AromaticContact CG-CE1 3.69Å; Y18-F148 HydrophobicContact CG-CE1 3.69Å; Y18-F148 WeakPolarHBondContact O-CA 3.45Å; Y18-D149 PolarHBondContact O-N 2.99Å
19E98.9Very high96.4Very high66 Ų6646.1 Ų46.131%0.30823%0.233SC..EExtended strand (participates in β ladder)trans-109.2113.8164.3-57.5-177.1-167.300107.6R17 L35 S36 D149R17-E19 HydrophobicContact CG-CG 4.39Å; R17-E19 IonicContact NE-OE1 2.7Å; R17-E19 PolarHBondContact NE-OE1 3.3Å; E19-L35 CarbonylContact O-C 3.37Å; E19-L35 WeakPolarHBondContact O-CA 3.49Å; E19-S36 PolarHBondContact N-O 2.84Å; E19-S36 PolarHBondContact O-N 3.27Å; E19-D149 HydrophobicContact CG-CB 4.18Å
20I98.7Very high96.6Very high3 Ų352 Ų522%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-119.1118.1-169.7-57.5169.7000108.5I22 L35 F136 F148 D149 I150 K151I20-I22 HydrophobicContact CG2-CD1 3.75Å; I20-I22 HydrophobicContact CG2-CG1 3.85Å; I20-L35 HydrophobicContact CG1-CD1 4.12Å; I20-F136 HydrophobicContact CD1-CD1 3.94Å; I20-F136 HydrophobicContact CD1-CD2 3.84Å; I20-F136 HydrophobicContact CD1-CE1 3.9Å; I20-F136 HydrophobicContact CD1-CE2 3.79Å; I20-F136 HydrophobicContact CD1-CG 3.94Å; I20-F136 HydrophobicContact CD1-CZ 3.83Å; I20-F148 HydrophobicContact CD1-CD1 3.9Å; I20-F148 HydrophobicContact CD1-CE1 4.48Å; I20-D149 PolarHBondContact N-O 2.87Å; I20-I150 WeakPolarHBondContact O-CA 3.28Å; I20-K151 PolarHBondContact O-N 3.46Å
21E98.6Very high96.9Very high61 Ų6149.3 Ų49.329%0.28524%0.237SC..EExtended strand (participates in β ladder)trans-114124.3173.1-170.7-175.7146.400109.3G33 N34 K151 H153E21-G33 CarbonylContact O-C 3.49Å; E21-G33 WeakPolarHBondContact O-CA 3.44Å; E21-N34 HydrophobicContact CB-CB 4.19Å; E21-N34 PolarHBondContact N-O 3.42Å; E21-N34 PolarHBondContact O-N 3.2Å; E21-K151 CarbonylContact C-O 3.52Å; E21-K151 WeakPolarHBondContact CA-O 3.29Å; E21-K151 HydrophobicContact CB-CB 4.28Å; E21-K151 HydrophobicContact CG-CB 4.06Å; E21-H153 VanDerWaalsContact CD-NE2 3.27Å; E21-H153 VanDerWaalsContact CG-NE2 3.3Å; E21-H153 WeakPolarHBondContact CG-NE2 3.43Å; E21-H153 IonicContact OE1-CD2 3.34Å; E21-H153 IonicContact OE1-CE1 3.77Å; E21-H153 PolarHBondContact OE1-CE1 2.84Å; E21-H153 IonicContact OE1-ND1 3.6Å; E21-H153 IonicContact OE1-NE2 3.79Å; E21-H153 PolarHBondContact OE1-NE2 2.86Å
22I98.6Very high97.1Very high0 Ų046.7 Ų46.70%024%0.235CC..EExtended strand (participates in β ladder)trans-127.9133.8-178.3-63.9170.7000110.3I20 F31 F108 V135 K151 L152 H153 F194I20-I22 HydrophobicContact CG2-CD1 3.75Å; I20-I22 HydrophobicContact CG2-CG1 3.85Å; I22-F31 HydrophobicContact CG2-CB 4.07Å; I22-F31 HydrophobicContact CG2-CD2 3.88Å; I22-F31 HydrophobicContact CG2-CG 4.2Å; I22-F108 HydrophobicContact CG2-CE1 4.19Å; I22-V135 HydrophobicContact CD1-CG1 3.72Å; I22-K151 PolarHBondContact N-O 2.86Å; I22-L152 HydrophobicContact CB-CD2 3.93Å; I22-L152 WeakPolarHBondContact O-CA 3.46Å; I22-H153 PolarHBondContact O-N 3.36Å; I22-F194 HydrophobicContact CD1-CE1 3.89Å; I22-F194 HydrophobicContact CD1-CE2 4.17Å; I22-F194 HydrophobicContact CD1-CZ 3.36Å
23K97.9Very high97.3Very high92 Ų9246.3 Ų46.340%0.423%0.233SC..EExtended strand (participates in β ladder)trans-118.595173.1-174.6177.2-178.6174.80110.1F31 T32 H153K23-F31 VanDerWaalsContact O-CA 3.31Å; K23-F31 WeakPolarHBondContact O-CA 3.35Å; K23-T32 PolarHBondContact N-O 2.97Å; K23-T32 PolarHBondContact O-N 3.16Å; K23-H153 HydrophobicContact CB-CB 3.85Å; K23-H153 HydrophobicContact CD-CB 4.35Å; K23-H153 HydrophobicContact CG-CB 3.84Å
24P97.5Very high97.4Very high8 Ų849.3 Ų49.35%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-74.8148.4176.329.3-33000112.6I101 F108 L123 H153 I154P24-I101 HydrophobicContact CB-CD1 4.05Å; P24-F108 HydrophobicContact CB-CE1 3.95Å; P24-F108 HydrophobicContact CB-CZ 4.05Å; P24-F108 HydrophobicContact CG-CZ 4.47Å; P24-L123 HydrophobicContact CB-CD1 3.64Å; P24-L123 HydrophobicContact CG-CD1 4.23Å; P24-H153 WeakPolarHBondContact CD-O 3.09Å; P24-I154 HydrophobicContact CG-CG2 4.37Å
25C95.3Very high97.5Very high48 Ų4847 Ų4732%0.32424%0.237SC..EExtended strand (participates in β ladder)trans-116.3110.7171.3-176.20000110.6L27 S28 F29 R30C25-L27 PolarHBondContact O-N 2.85Å; C25-S28 WeakPolarHBondContact CB-OG 3.48Å; C25-S28 PolarHBondContact SG-OG 2.8Å; C25-F29 WeakPolarHBondContact O-CA 3.25Å; C25-F29 PolarHBondContact O-N 2.87Å; C25-R30 WeakPolarHBondContact CB-O 3.41Å; C25-R30 PolarHBondContact N-O 2.81Å
26F93.1Very high97.5Very high39 Ų3947.4 Ų47.417%0.17124%0.24CC..THydrogen-bonded Turntrans-68.2-13.7178.9-79.9-106000114.2F29 L123 P155 V196F26-F29 WeakPolarHBondContact O-CZ 3.45Å; F26-L123 HydrophobicContact CD1-CG 4.44Å; F26-L123 HydrophobicContact CD2-CD1 4.01Å; F26-L123 HydrophobicContact CE1-CD1 4.06Å; F26-L123 HydrophobicContact CE1-CD2 4.35Å; F26-L123 HydrophobicContact CE1-CG 3.77Å; F26-L123 HydrophobicContact CE2-CD1 3.49Å; F26-L123 VanDerWaalsContact CE2-CD1 3.49Å; F26-L123 HydrophobicContact CE2-CG 4.1Å; F26-L123 HydrophobicContact CG-CD1 4.49Å; F26-L123 HydrophobicContact CZ-CD1 3.52Å; F26-L123 HydrophobicContact CZ-CG 3.57Å; F26-P155 HydrophobicContact CD2-CG 4.22Å; F26-V196 HydrophobicContact CE2-CG1 3.93Å; F26-V196 HydrophobicContact CZ-CB 4.25Å; F26-V196 HydrophobicContact CZ-CG1 3.84Å
27L92.3Very high97.5Very high164 Ų16443.8 Ų43.886%0.85922%0.221SC*.THydrogen-bonded Turntrans-89.5-45.7178.4-71.7165.4000112.2C25C25-L27 PolarHBondContact O-N 2.85Å
28S95.4Very high97.5Very high67 Ų6743.2 Ų43.247%0.46922%0.224SC..THydrogen-bonded Turntrans-94.9-10.1-175.962.40000113.6C25 R30C25-S28 WeakPolarHBondContact CB-OG 3.48Å; C25-S28 PolarHBondContact SG-OG 2.8Å; S28-R30 PolarHBondContact O-N 2.96Å
29F96.6Very high97.5Very high28 Ų2843.2 Ų43.212%0.12322%0.224CC..THydrogen-bonded Turntrans49.944.7-172-62.7-71000112.3C25 F26 I101 R110 Y121C25-F29 WeakPolarHBondContact O-CA 3.25Å; C25-F29 PolarHBondContact O-N 2.87Å; F26-F29 WeakPolarHBondContact O-CZ 3.45Å; F29-I101 HydrophobicContact CB-CB 4.06Å; F29-I101 HydrophobicContact CD1-CG2 4.26Å; F29-I101 WeakPolarHBondContact O-CB 3.33Å; F29-I101 PolarHBondContact O-N 3.32Å; F29-R110 HydrophobicContact CD1-CB 4.06Å; F29-R110 VanDerWaalsContact CD1-CD 3.48Å; F29-R110 HydrophobicContact CD1-CG 4.36Å; F29-R110 HydrophobicContact CE1-CB 3.98Å; F29-R110 VanDerWaalsContact CE1-CD 3.46Å; F29-R110 HydrophobicContact CE1-CG 4.35Å; F29-Y121 AromaticContact CE1-CD1 3.92Å; F29-Y121 HydrophobicContact CE1-CD1 3.92Å; F29-Y121 HydrophobicContact CE1-CE1 4.18Å; F29-Y121 HydrophobicContact CE1-CG 4.11Å; F29-Y121 AromaticContact CZ-CD1 3.8Å; F29-Y121 HydrophobicContact CZ-CD1 3.8Å; F29-Y121 HydrophobicContact CZ-CD2 4.06Å; F29-Y121 AromaticContact CZ-CE1 3.65Å; F29-Y121 HydrophobicContact CZ-CE1 3.65Å; F29-Y121 AromaticContact CZ-CE2 3.95Å; F29-Y121 HydrophobicContact CZ-CE2 3.95Å; F29-Y121 AromaticContact CZ-CG 3.99Å; F29-Y121 HydrophobicContact CZ-CG 3.99Å; F29-Y121 AromaticContact CZ-CZ 3.74Å
30R97.8Very high97.4Very high131 Ų13141 Ų4149%0.49422%0.216SC..EExtended strand (participates in β ladder)trans-127164.7171.5-69.8-179.5173.1-88.6-3.1109.2C25 S28 G99C25-R30 WeakPolarHBondContact CB-O 3.41Å; C25-R30 PolarHBondContact N-O 2.81Å; S28-R30 PolarHBondContact O-N 2.96Å; R30-G99 WeakPolarHBondContact CA-O 3.42Å
31F98.3Very high97.3Very high4 Ų440.8 Ų40.82%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-140.4152.317365.6-88.7000111I22 K23 Y97 T98 G99 I100 I101 F108 V135I22-F31 HydrophobicContact CG2-CB 4.07Å; I22-F31 HydrophobicContact CG2-CD2 3.88Å; I22-F31 HydrophobicContact CG2-CG 4.2Å; K23-F31 VanDerWaalsContact O-CA 3.31Å; K23-F31 WeakPolarHBondContact O-CA 3.35Å; F31-Y97 AromaticContact CE2-CE2 3.89Å; F31-Y97 HydrophobicContact CE2-CE2 3.89Å; F31-T98 WeakPolarHBondContact O-CA 3.38Å; F31-G99 VanDerWaalsContact CE1-C 3.41Å; F31-G99 PolarHBondContact N-O 3.36Å; F31-G99 VanDerWaalsContact N-O 3.07Å; F31-G99 PolarHBondContact O-N 3.49Å; F31-I100 WeakPolarHBondContact CE1-O 3.38Å; F31-I101 HydrophobicContact CD1-CG1 4.01Å; F31-F108 HydrophobicContact CB-CE1 4.47Å; F31-F108 AromaticContact CD1-CD1 3.76Å; F31-F108 HydrophobicContact CD1-CD1 3.76Å; F31-F108 HydrophobicContact CD1-CE1 4.32Å; F31-F108 HydrophobicContact CE1-CD1 4.03Å; F31-F108 HydrophobicContact CG-CD1 4.21Å; F31-F108 HydrophobicContact CG-CE1 4.44Å; F31-V135 WeakPolarHBondContact CE2-O 3.39Å; F31-V135 HydrophobicContact CZ-CG1 4.35Å
32T98.5Very high97.1Very high74 Ų7442.7 Ų42.745%0.45422%0.224SC..EExtended strand (participates in β ladder)trans-103.2142166.659.80000108.6K23 T98K23-T32 PolarHBondContact N-O 2.97Å; K23-T32 PolarHBondContact O-N 3.16Å; T32-T98 HydrophobicContact CG2-CG2 4.19Å
33G98.5Very high96.9Very high2 Ų248.7 Ų48.72%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-130.3143.417900000112.8E21 Y97E21-G33 CarbonylContact O-C 3.49Å; E21-G33 WeakPolarHBondContact O-CA 3.44Å; G33-Y97 VanDerWaalsContact C-CE1 3.44Å; G33-Y97 PolarHBondContact N-O 3.29Å; G33-Y97 VanDerWaalsContact O-CD1 3.26Å; G33-Y97 WeakPolarHBondContact O-CD1 3.46Å; G33-Y97 PolarHBondContact O-N 3.01Å
34N98.7Very high96.8Very high70 Ų7051.6 Ų51.637%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-116.4128.3164.2-59.2-50.5000108.1E21 V95E21-N34 HydrophobicContact CB-CB 4.19Å; E21-N34 PolarHBondContact N-O 3.42Å; E21-N34 PolarHBondContact O-N 3.2Å; N34-V95 WeakPolarHBondContact CA-O 3.44Å
35L98.7Very high96.8Very high6 Ų652.1 Ų52.13%0.03127%0.27CS..EExtended strand (participates in β ladder)trans-116.2132.3176.5167.766.5000109.2Y18 E19 I20 L37 R94 V95 Y97 P137Y18-L35 HydrophobicContact CD1-CD1 3.73Å; E19-L35 CarbonylContact O-C 3.37Å; E19-L35 WeakPolarHBondContact O-CA 3.49Å; I20-L35 HydrophobicContact CG1-CD1 4.12Å; L35-L37 HydrophobicContact CD1-CB 4.3Å; L35-L37 HydrophobicContact CD2-CB 4.4Å; L35-L37 HydrophobicContact CG-CB 4.3Å; L35-R94 CarbonylContact O-C 3.56Å; L35-R94 VanDerWaalsContact O-CA 3.25Å; L35-R94 WeakPolarHBondContact O-CA 3.39Å; L35-V95 HydrophobicContact CB-CB 4.24Å; L35-V95 HydrophobicContact CD2-CB 4.46Å; L35-V95 HydrophobicContact CD2-CG2 4.27Å; L35-V95 PolarHBondContact N-O 2.82Å; L35-V95 PolarHBondContact O-N 3.06Å; L35-Y97 HydrophobicContact CB-CE1 3.9Å; L35-P137 HydrophobicContact CD2-CB 4.37Å; L35-P137 WeakPolarHBondContact CD2-O 3.4Å
36S98.7Very high96.8Very high11 Ų1152.7 Ų52.78%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-114.2120.4157.1-1580000109.5Y18 E19 E92 L93Y18-S36 CarbonylContact C-O 3.42Å; E19-S36 PolarHBondContact N-O 2.84Å; E19-S36 PolarHBondContact O-N 3.27Å; S36-E92 WeakPolarHBondContact OG-CG 3.26Å; S36-E92 PolarHBondContact OG-OE1 2.74Å; S36-L93 CarbonylContact C-O 3.59Å
37L98.8Very high96.9Very high0 Ų053.8 Ų53.80%028%0.28CS..EExtended strand (participates in β ladder)trans-116.4108.5-178.8172.555.5000109.4P15 R17 Y18 L35 V39 L50 E92 L93 L139P15-L37 HydrophobicContact CB-CD1 3.95Å; R17-L37 WeakPolarHBondContact O-CA 3.24Å; Y18-L37 HydrophobicContact CD1-CD1 3.75Å; Y18-L37 HydrophobicContact CD2-CD1 4.12Å; Y18-L37 HydrophobicContact CE1-CD1 3.51Å; Y18-L37 HydrophobicContact CE1-CD2 3.95Å; Y18-L37 HydrophobicContact CE1-CG 4.19Å; Y18-L37 HydrophobicContact CE2-CD1 3.92Å; Y18-L37 HydrophobicContact CG-CD1 4.02Å; L35-L37 HydrophobicContact CD1-CB 4.3Å; L35-L37 HydrophobicContact CD2-CB 4.4Å; L35-L37 HydrophobicContact CG-CB 4.3Å; L37-V39 HydrophobicContact CD1-CG1 4.08Å; L37-V39 HydrophobicContact CD2-CG1 3.94Å; L37-V39 HydrophobicContact CG-CG1 3.6Å; L37-L50 HydrophobicContact CD2-CD1 3.91Å; L37-L50 HydrophobicContact CD2-CD2 4.06Å; L37-E92 WeakPolarHBondContact O-CA 3.15Å; L37-L93 HydrophobicContact CB-CB 4.37Å; L37-L93 PolarHBondContact N-O 2.79Å; L37-L93 PolarHBondContact O-N 2.77Å; L37-L139 HydrophobicContact CD2-CD1 4.34Å
38S98.6Very high97.2Very high33 Ų3346 Ų4623%0.23124%0.239CC..EExtended strand (participates in β ladder)trans-78.2127.9168.4-62.90000109.7I16 R17 G91I16-S38 PolarHBondContact N-O 3.16Å; R17-S38 PolarHBondContact N-O 2.78Å; R17-S38 PolarHBondContact O-N 2.87Å; S38-G91 WeakPolarHBondContact CA-O 3.49Å
39V98.1Very high97.2Very high1 Ų144 Ų441%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-129.1153-178.2-58.30000112.4V13 I14 L37 I41 I48 F62 L90 G91V13-V39 HydrophobicContact CG1-CB 3.69Å; V13-V39 HydrophobicContact CG1-CG1 3.79Å; V13-V39 HydrophobicContact CG1-CG2 4.12Å; I14-V39 CarbonylContact O-C 3.56Å; I14-V39 WeakPolarHBondContact O-CA 3.22Å; L37-V39 HydrophobicContact CD1-CG1 4.08Å; L37-V39 HydrophobicContact CD2-CG1 3.94Å; L37-V39 HydrophobicContact CG-CG1 3.6Å; V39-I41 HydrophobicContact CG2-CG1 4.29Å; V39-I48 HydrophobicContact CG2-CD1 4.28Å; V39-F62 HydrophobicContact CG2-CE2 4Å; V39-F62 HydrophobicContact CG2-CZ 4.5Å; V39-L90 WeakPolarHBondContact O-CA 3.48Å; V39-G91 PolarHBondContact N-O 3.33Å; V39-G91 PolarHBondContact O-N 3.14Å
40S97.6Very high97.3Very high18 Ų1842.6 Ų42.613%0.12622%0.217CC..EExtended strand (participates in β ladder)trans-102.1128.7159-164.70000109.4V13 I14 E42V13-S40 CarbonylContact C-O 3.5Å; V13-S40 WeakPolarHBondContact CA-O 3.41Å; I14-S40 PolarHBondContact N-O 3.13Å; I14-S40 PolarHBondContact O-N 2.71Å; S40-E42 VanDerWaalsContact CB-OE1 3.25Å; S40-E42 WeakPolarHBondContact CB-OE1 3.16Å; S40-E42 PolarHBondContact OG-OE1 2.7Å
41I96.3Very high97.2Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-98.4103.2172.8-58178.7000106.8S12 V39 E43 T45 F62 L82 L86 S88 A89S12-I41 CarbonylContact O-C 3.52Å; S12-I41 WeakPolarHBondContact O-CA 3.45Å; V39-I41 HydrophobicContact CG2-CG1 4.29Å; I41-E43 VanDerWaalsContact CG2-O 3.29Å; I41-E43 WeakPolarHBondContact CG2-O 3.35Å; I41-T45 HydrophobicContact CG2-CG2 3.77Å; I41-F62 HydrophobicContact CD1-CE1 4.49Å; I41-F62 HydrophobicContact CD1-CZ 3.89Å; I41-L82 HydrophobicContact CD1-CD1 4.25Å; I41-L86 HydrophobicContact CD1-CB 3.73Å; I41-L86 HydrophobicContact CD1-CD1 3.8Å; I41-L86 HydrophobicContact CD1-CG 4.42Å; I41-L86 HydrophobicContact CG2-CB 4.4Å; I41-L86 VanDerWaalsContact CG2-O 3.24Å; I41-L86 WeakPolarHBondContact CG2-O 3.3Å; I41-S88 CarbonylContact O-C 3.49Å; I41-S88 WeakPolarHBondContact O-CA 3.43Å; I41-S88 PolarHBondContact O-N 3.3Å; I41-A89 PolarHBondContact N-O 2.86Å; I41-A89 PolarHBondContact O-N 3.32Å
42E94.3Very high97.2Very high100 Ų10036.8 Ų36.847%0.46720%0.197SC..  trans-86.3-38-173.8-61.6-61.5155.200111.9S12 I14 S40S12-E42 PolarHBondContact O-N 3.17Å; I14-E42 HydrophobicContact CG1-CG 3.81Å; S40-E42 VanDerWaalsContact CB-OE1 3.25Å; S40-E42 WeakPolarHBondContact CB-OE1 3.16Å; S40-E42 PolarHBondContact OG-OE1 2.7Å
43E94Very high97Very high126 Ų12636 Ų3659%0.58919%0.188SC*.SBendtrans-117.8151.9179.4-61.8-177.4170.800110.7I41 T45I41-E43 VanDerWaalsContact CG2-O 3.29Å; I41-E43 WeakPolarHBondContact CG2-O 3.35Å; E43-T45 PolarHBondContact O-N 2.66Å; E43-T45 VanDerWaalsContact O-N 3.12Å
44E96.3Very high96.7Very high153 Ų15340.8 Ų40.872%0.71521%0.213SC*.  trans-57.7118.4179.3-168.6177.496.100111.1P85 L86 A87E44-P85 HydrophobicContact CG-CB 3.86Å; E44-L86 VanDerWaalsContact CA-O 3.26Å; E44-L86 WeakPolarHBondContact CA-O 3.24Å; E44-A87 HydrophobicContact CB-CB 3.86Å; E44-A87 HydrophobicContact CG-CB 4.29Å
45T96.1Very high96.6Very high20 Ų2037.9 Ų37.912%0.12320%0.197CC..EExtended strand (participates in β ladder)trans-140.9147.3177.2-177.40000111.4V13 I41 E43 Q47 L82 P85 L86V13-T45 HydrophobicContact CG2-CG2 4.02Å; I41-T45 HydrophobicContact CG2-CG2 3.77Å; E43-T45 PolarHBondContact O-N 2.66Å; E43-T45 VanDerWaalsContact O-N 3.12Å; T45-Q47 WeakPolarHBondContact CG2-O 3.46Å; T45-Q47 PolarHBondContact OG1-N 3.27Å; T45-Q47 VanDerWaalsContact OG1-N 3.16Å; T45-Q47 PolarHBondContact OG1-O 2.93Å; T45-L82 HydrophobicContact CG2-CD1 4.48Å; T45-P85 VanDerWaalsContact O-CA 3.31Å; T45-P85 WeakPolarHBondContact O-CA 3.3Å; T45-L86 PolarHBondContact N-O 3.1Å; T45-L86 PolarHBondContact O-N 3.47Å
46S95.8Very high96.5Very high59 Ų5939.9 Ų39.941%0.41321%0.212SC..EExtended strand (participates in β ladder)trans-98.83.6173.266.50000113.1L82S46-L82 WeakPolarHBondContact O-CB 3.15Å; S46-L82 PolarHBondContact O-N 2.74Å
47Q96.4Very high96.5Very high62 Ų6240.6 Ų40.629%0.2922%0.215SC..EExtended strand (participates in β ladder)trans-149.1154.1179.469.9-176.1-49.700112.2T45 S79 F80 I81T45-Q47 WeakPolarHBondContact CG2-O 3.46Å; T45-Q47 PolarHBondContact OG1-N 3.27Å; T45-Q47 VanDerWaalsContact OG1-N 3.16Å; T45-Q47 PolarHBondContact OG1-O 2.93Å; Q47-S79 PolarHBondContact OE1-OG 3.36Å; Q47-F80 CarbonylContact C-O 3.59Å; Q47-F80 VanDerWaalsContact CA-O 3.24Å; Q47-F80 WeakPolarHBondContact CA-O 2.91Å; Q47-I81 HydrophobicContact CB-CD1 3.96Å
48I97.1Very high96.4Very high0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-103.6117.2162.7-59.9172.2000106.9V13 V39 L50 F62 F80 L82 L93V13-I48 HydrophobicContact CG1-CG2 4.34Å; V13-I48 HydrophobicContact CG2-CG1 4.36Å; V39-I48 HydrophobicContact CG2-CD1 4.28Å; I48-L50 HydrophobicContact CG2-CD2 3.89Å; I48-L50 HydrophobicContact CG2-CG 4.14Å; I48-F62 HydrophobicContact CD1-CD2 3.55Å; I48-F62 HydrophobicContact CD1-CE2 3.47Å; I48-F62 VanDerWaalsContact CD1-CE2 3.47Å; I48-F62 HydrophobicContact CD1-CG 4.48Å; I48-F62 HydrophobicContact CD1-CZ 4.35Å; I48-F80 HydrophobicContact CB-CB 4.34Å; I48-F80 PolarHBondContact N-O 3.38Å; I48-F80 WeakPolarHBondContact O-CD2 3.36Å; I48-F80 PolarHBondContact O-N 3.27Å; I48-L82 HydrophobicContact CD1-CD2 4.15Å; I48-L82 HydrophobicContact CG1-CD1 4.47Å; I48-L82 HydrophobicContact CG1-CD2 4.25Å; I48-L93 HydrophobicContact CD1-CB 4.36Å; I48-L93 HydrophobicContact CG2-CD2 4.23Å
49L97.1Very high96.3Very high25 Ų2547.7 Ų47.713%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-102.8120.8178.5-177.468.8000109.2L9 Q77 S79L9-L49 HydrophobicContact CD2-CB 4.5Å; L9-L49 HydrophobicContact CD2-CD2 3.89Å; L9-L49 HydrophobicContact CD2-CG 3.85Å; L49-Q77 HydrophobicContact CD1-CB 4.09Å; L49-Q77 HydrophobicContact CD1-CG 4.33Å; L49-S79 WeakPolarHBondContact CD1-OG 3.48Å
50L97.5Very high96.3Very high0 Ų047.9 Ų47.90%026%0.255CS..EExtended strand (participates in β ladder)trans-120.3159.6176.7-55.6-173.9000110.4L37 I48 Q77 V78 F80 L93 P137 L139L37-L50 HydrophobicContact CD2-CD1 3.91Å; L37-L50 HydrophobicContact CD2-CD2 4.06Å; I48-L50 HydrophobicContact CG2-CD2 3.89Å; I48-L50 HydrophobicContact CG2-CG 4.14Å; L50-Q77 CarbonylContact O-C 3.53Å; L50-Q77 VanDerWaalsContact O-CA 3.25Å; L50-Q77 WeakPolarHBondContact O-CA 3.24Å; L50-V78 HydrophobicContact CB-CG1 4.12Å; L50-V78 PolarHBondContact N-O 2.74Å; L50-V78 PolarHBondContact O-N 2.88Å; L50-F80 HydrophobicContact CB-CE2 4.38Å; L50-F80 HydrophobicContact CD1-CD2 4.38Å; L50-F80 HydrophobicContact CD1-CE2 3.7Å; L50-F80 HydrophobicContact CG-CD2 4.37Å; L50-F80 HydrophobicContact CG-CE2 3.97Å; L50-L93 HydrophobicContact CD1-CD2 4Å; L50-P137 HydrophobicContact CB-CB 4.43Å; L50-P137 HydrophobicContact CD1-CB 3.93Å; L50-L139 HydrophobicContact CD2-CD1 3.41Å; L50-L139 VanDerWaalsContact CD2-CD1 3.41Å; L50-L139 HydrophobicContact CD2-CG 3.76Å
51N96.9Very high96.3Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-77.5140.1163.8-63.9109.8000110.7L9 E76 R133 P137 C138 D140L9-N51 VanDerWaalsContact CD1-OD1 3.28Å; L9-N51 WeakPolarHBondContact CD1-OD1 3.05Å; N51-E76 CarbonylContact C-O 3.59Å; N51-E76 WeakPolarHBondContact CA-O 3.48Å; N51-E76 PolarHBondContact ND2-O 2.93Å; N51-R133 HydrophobicContact CB-CB 3.66Å; N51-R133 HydrophobicContact CB-CG 4.48Å; N51-P137 WeakPolarHBondContact O-CA 3.15Å; N51-C138 WeakPolarHBondContact CB-O 3.25Å; N51-C138 PolarHBondContact N-O 3.19Å; N51-C138 PolarHBondContact O-N 3.23Å; N51-C138 VanDerWaalsContact O-N 3.1Å; N51-D140 HydrophobicContact CB-CB 3.81Å; N51-D140 PolarHBondContact OD1-N 3.45Å
52A96.2Very high96.4Very high12 Ų1248.4 Ų48.410%0.09926%0.256CS..  trans-156.8131.1172.200000110.2E76 Q77 V78 R133 P137A52-E76 PolarHBondContact N-O 3.04Å; A52-E76 CarbonylContact O-C 3.55Å; A52-E76 VanDerWaalsContact O-CA 3.26Å; A52-E76 WeakPolarHBondContact O-CA 3.31Å; A52-Q77 PolarHBondContact O-N 3.44Å; A52-V78 HydrophobicContact CB-CB 4.14Å; A52-V78 HydrophobicContact CB-CG1 3.67Å; A52-R133 WeakPolarHBondContact CA-O 3.31Å; A52-P137 HydrophobicContact CB-CB 4.5Å
53K94.5Very high96.5Very high59 Ų5947.9 Ų47.926%0.25726%0.256SS..SBendtrans-134.9137.2177.6-178.2-175.5-171.1157.90108.8I55 E76 R133 Q134K53-I55 WeakPolarHBondContact O-CG1 3.45Å; K53-I55 PolarHBondContact O-N 2.77Å; K53-E76 HydrophobicContact CB-CB 4.33Å; K53-E76 HydrophobicContact CB-CG 4.29Å; K53-E76 HydrophobicContact CD-CG 4.31Å; K53-E76 VanDerWaalsContact CD-OE1 3.23Å; K53-E76 WeakPolarHBondContact CD-OE1 3.39Å; K53-E76 VanDerWaalsContact CE-OE1 3.22Å; K53-E76 WeakPolarHBondContact CE-OE1 3.48Å; K53-E76 HydrophobicContact CG-CG 4.3Å; K53-E76 IonicContact NZ-OE1 3.06Å; K53-E76 PolarHBondContact NZ-OE1 3.05Å; K53-R133 HydrophobicContact CB-CG 3.98Å; K53-R133 PolarHBondContact N-O 3.23Å; K53-Q134 HydrophobicContact CB-CG 4.08Å; K53-Q134 HydrophobicContact CD-CG 3.86Å; K53-Q134 HydrophobicContact CG-CG 4.24Å; K53-Q134 VanDerWaalsContact O-CA 3.31Å; K53-Q134 WeakPolarHBondContact O-CA 3.46Å
54D93.9Very high96.5Very high101 Ų10144.8 Ų44.854%0.5426%0.258SS..SBendtrans52.924.5178.9-57.6-36.8000115.2
55I95.3Very high96.5Very high10 Ų1041.5 Ų41.55%0.05125%0.245CC..EExtended strand (participates in β ladder)trans-112.7147.1173.9-68.4172.1000108.5K53 Y97 T98 R133 P137K53-I55 WeakPolarHBondContact O-CG1 3.45Å; K53-I55 PolarHBondContact O-N 2.77Å; I55-Y97 HydrophobicContact CD1-CD2 4.48Å; I55-Y97 HydrophobicContact CD1-CE2 4.39Å; I55-Y97 HydrophobicContact CG2-CD2 3.57Å; I55-Y97 HydrophobicContact CG2-CE2 4.45Å; I55-Y97 HydrophobicContact CG2-CG 4.03Å; I55-T98 CarbonylContact C-O 3.57Å; I55-T98 WeakPolarHBondContact CA-O 3.36Å; I55-R133 VanDerWaalsContact CD1-O 3.24Å; I55-R133 WeakPolarHBondContact CD1-O 3.38Å; I55-P137 HydrophobicContact CD1-CG 4.49Å; I55-P137 HydrophobicContact CG2-CG 4.32Å
56S97.1Very high96.6Very high48 Ų4846 Ų4634%0.33627%0.269SS..EExtended strand (participates in β ladder)trans-125.5122170-62.50000110.3E71 Y97 T98S56-E71 WeakPolarHBondContact CA-OE1 3.33Å; S56-Y97 CarbonylContact O-C 3.49Å; S56-Y97 VanDerWaalsContact O-CA 3.31Å; S56-Y97 WeakPolarHBondContact O-CA 3.45Å; S56-Y97 WeakPolarHBondContact O-CB 3.42Å; S56-T98 PolarHBondContact N-O 2.99Å; S56-T98 PolarHBondContact O-N 3.3Å
57V97.9Very high96.6Very high25 Ų2544.1 Ų44.115%0.15225%0.254CS..EExtended strand (participates in β ladder)trans-85.1125.4-178.8175.30000109.5A60 V69 E71 V78 F80 V95V57-A60 HydrophobicContact CG1-CB 4.44Å; V57-V69 HydrophobicContact CB-CG1 3.98Å; V57-V69 HydrophobicContact CG1-CG1 3.94Å; V57-V69 HydrophobicContact CG1-CG2 4.05Å; V57-V69 HydrophobicContact CG2-CG1 4.41Å; V57-E71 PolarHBondContact N-OE1 3.46Å; V57-V78 HydrophobicContact CG2-CG2 4.4Å; V57-F80 HydrophobicContact CG1-CE1 4.42Å; V57-V95 HydrophobicContact CB-CG1 4.41Å; V57-V95 HydrophobicContact CG1-CG1 3.67Å; V57-V95 HydrophobicContact CG2-CG1 3.94Å
58S96.5Very high96.7Very high85 Ų8547.2 Ų47.259%0.59427%0.269SS*.EExtended strand (participates in β ladder)trans-94.1-34.1177.352.30000112.8E96S58-E96 PolarHBondContact N-O 3.05Å; S58-E96 WeakPolarHBondContact OG-CB 3.49Å; S58-E96 PolarHBondContact OG-O 3.49Å; S58-E96 VanDerWaalsContact OG-O 3.05Å
59K97.3Very high96.7Very high97 Ų9749.5 Ų49.542%0.42228%0.282SS..EExtended strand (participates in β ladder)trans-154.1144.4-179.2-172.5177.1176.6-171.70110.6V95 E96K59-V95 WeakPolarHBondContact O-CA 3.47Å; K59-E96 HydrophobicContact CB-CB 4.15Å; K59-E96 HydrophobicContact CB-CG 4.35Å; K59-E96 PolarHBondContact N-O 3.18Å; K59-E96 PolarHBondContact O-N 2.83Å
60A98.4Very high96.7Very high5 Ų551.2 Ų51.24%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-143.4141.717100000111.8V57 V67 V69 F80 R94 V95V57-A60 HydrophobicContact CG1-CB 4.44Å; A60-V67 HydrophobicContact CB-CG2 3.66Å; A60-V67 PolarHBondContact O-N 2.86Å; A60-V67 VanDerWaalsContact O-N 3.17Å; A60-V69 HydrophobicContact CB-CG2 3.68Å; A60-F80 HydrophobicContact CB-CD1 3.56Å; A60-F80 HydrophobicContact CB-CE1 3.58Å; A60-R94 CarbonylContact C-O 3.03Å; A60-R94 WeakPolarHBondContact CA-O 3.41Å; A60-V95 HydrophobicContact CB-CG2 4.44Å
61T98.3Very high96.6Very high18 Ų1854.4 Ų54.411%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-133.4141173.466.80000110.4I65 D66 L93 R94T61-I65 CarbonylContact C-O 3.6Å; T61-I65 WeakPolarHBondContact CA-O 3.47Å; T61-I65 WeakPolarHBondContact CB-O 3.36Å; T61-D66 WeakPolarHBondContact CG2-OD1 3.37Å; T61-L93 WeakPolarHBondContact O-CA 3.25Å; T61-R94 PolarHBondContact N-O 3.26Å; T61-R94 PolarHBondContact O-N 2.83Å
62F97.7Very high96.4Very high12 Ų1257.3 Ų57.35%0.05332%0.319CS..EExtended strand (participates in β ladder)trans-111.4122.5168.6-173.9-101.5000109.7V39 I41 I48 G64 I65 V67 L82 L86 E92 L93V39-F62 HydrophobicContact CG2-CE2 4Å; V39-F62 HydrophobicContact CG2-CZ 4.5Å; I41-F62 HydrophobicContact CD1-CE1 4.49Å; I41-F62 HydrophobicContact CD1-CZ 3.89Å; I48-F62 HydrophobicContact CD1-CD2 3.55Å; I48-F62 HydrophobicContact CD1-CE2 3.47Å; I48-F62 VanDerWaalsContact CD1-CE2 3.47Å; I48-F62 HydrophobicContact CD1-CG 4.48Å; I48-F62 HydrophobicContact CD1-CZ 4.35Å; F62-G64 PolarHBondContact O-N 3.35Å; F62-G64 VanDerWaalsContact O-N 3.16Å; F62-I65 PolarHBondContact N-O 2.92Å; F62-I65 PolarHBondContact O-N 3.16Å; F62-V67 HydrophobicContact CB-CG1 3.63Å; F62-L82 HydrophobicContact CB-CD2 4.04Å; F62-L82 HydrophobicContact CD1-CD2 3.68Å; F62-L82 HydrophobicContact CD2-CD2 4.18Å; F62-L82 HydrophobicContact CE1-CD2 4.15Å; F62-L82 HydrophobicContact CG-CD2 3.68Å; F62-L86 HydrophobicContact CD1-CD1 4.2Å; F62-L86 HydrophobicContact CE1-CD1 3.37Å; F62-L86 HydrophobicContact CZ-CD1 4.08Å; F62-E92 CarbonylContact C-O 3.59Å; F62-E92 WeakPolarHBondContact CA-O 3.49Å; F62-L93 HydrophobicContact CD2-CB 4.14Å
63N95.8Very high96.1Very high88 Ų8865 Ų6547%0.47135%0.345SS..THydrogen-bonded Turntrans50.237.1-173.5-67.1-18000113.1I65 G91 E92N63-I65 VanDerWaalsContact C-N 3.29Å; N63-I65 PolarHBondContact O-N 2.86Å; N63-G91 WeakPolarHBondContact OD1-CA 3.44Å; N63-E92 PolarHBondContact N-O 2.96Å; N63-E92 PolarHBondContact OD1-N 3.45Å
64G95.3Very high95.8Very high61 Ų6169 Ų6963%0.62937%0.365SS*.THydrogen-bonded Turntrans78.33.5-17900000115.6F62F62-G64 PolarHBondContact O-N 3.35Å; F62-G64 VanDerWaalsContact O-N 3.16Å
65I96Very high95.5Very high84 Ų8468.5 Ų68.543%0.43136%0.356SS..EExtended strand (participates in β ladder)trans-100.8129.9175.1-56.5175.2000108.6T61 F62 N63 V67T61-I65 CarbonylContact C-O 3.6Å; T61-I65 WeakPolarHBondContact CA-O 3.47Å; T61-I65 WeakPolarHBondContact CB-O 3.36Å; F62-I65 PolarHBondContact N-O 2.92Å; F62-I65 PolarHBondContact O-N 3.16Å; N63-I65 VanDerWaalsContact C-N 3.29Å; N63-I65 PolarHBondContact O-N 2.86Å; I65-V67 PolarHBondContact O-N 3.17Å
66D97Very high95.3Very high116 Ų11669.7 Ų69.762%0.6236%0.361SS*.EExtended strand (participates in β ladder)trans-56.7137174.9-68-31.7000110.8T61T61-D66 WeakPolarHBondContact CG2-OD1 3.37Å
67V97.2Very high95.2Very high19 Ų1968.4 Ų68.412%0.11535%0.35CS..  trans-118.2147.3177.5-69.50000110.2A60 F62 I65 F80 I81 L93A60-V67 HydrophobicContact CB-CG2 3.66Å; A60-V67 PolarHBondContact O-N 2.86Å; A60-V67 VanDerWaalsContact O-N 3.17Å; F62-V67 HydrophobicContact CB-CG1 3.63Å; I65-V67 PolarHBondContact O-N 3.17Å; V67-F80 HydrophobicContact CG2-CB 4.12Å; V67-F80 HydrophobicContact CG2-CD1 4.16Å; V67-I81 WeakPolarHBondContact CB-O 3.48Å; V67-I81 WeakPolarHBondContact CG1-O 3.21Å; V67-L93 HydrophobicContact CG2-CD1 4.34Å
68E97.2Very high95.2Very high126 Ų12667.3 Ų67.359%0.58934%0.343SS*.EExtended strand (participates in β ladder)trans-69.9136.6171.7178.1-176.5-17700109.5I70 F80 I81E68-I70 HydrophobicContact CG-CG1 4.28Å; E68-F80 WeakPolarHBondContact O-CA 3.38Å; E68-I81 HydrophobicContact CB-CB 4.07Å; E68-I81 HydrophobicContact CB-CG1 4.19Å; E68-I81 HydrophobicContact CG-CG1 4.38Å; E68-I81 PolarHBondContact O-N 2.96Å
69V97.8Very high95.2Very high48 Ų4863.2 Ų63.229%0.29132%0.315SS..EExtended strand (participates in β ladder)trans-112124.6-179.5-175.30000109.3V57 A60 V78 S79 F80V57-V69 HydrophobicContact CB-CG1 3.98Å; V57-V69 HydrophobicContact CG1-CG1 3.94Å; V57-V69 HydrophobicContact CG1-CG2 4.05Å; V57-V69 HydrophobicContact CG2-CG1 4.41Å; A60-V69 HydrophobicContact CB-CG2 3.68Å; V69-V78 HydrophobicContact CG1-CG2 3.59Å; V69-S79 WeakPolarHBondContact CA-O 3.38Å; V69-F80 HydrophobicContact CG1-CE1 4.26Å; V69-F80 HydrophobicContact CG2-CD1 4Å; V69-F80 HydrophobicContact CG2-CE1 4.13Å
70I97Very high95.2Very high62 Ų6258.6 Ų58.632%0.31830%0.295SS..EExtended strand (participates in β ladder)trans-119.8103.5177.8-52.9-178.9000108.8E68 K72 V78 S79 I81E68-I70 HydrophobicContact CG-CG1 4.28Å; I70-K72 HydrophobicContact CG2-CG 4.34Å; I70-V78 WeakPolarHBondContact O-CA 3.39Å; I70-S79 PolarHBondContact N-O 3.26Å; I70-S79 PolarHBondContact O-N 2.99Å; I70-I81 HydrophobicContact CD1-CD1 3.93Å; I70-I81 HydrophobicContact CD1-CG1 3.86Å; I70-I81 HydrophobicContact CG1-CG1 4.24Å
71E95.3Very high95.2Very high66 Ų6660.6 Ų60.631%0.30830%0.304SS..EExtended strand (participates in β ladder)trans-77.5124.5173.7-67.7-175-175.700110.9S56 V57 R73 V78S56-E71 WeakPolarHBondContact CA-OE1 3.33Å; V57-E71 PolarHBondContact N-OE1 3.46Å; E71-R73 IonicContact OE2-CZ 2.84Å; E71-R73 IonicContact OE2-NE 2.83Å; E71-R73 PolarHBondContact OE2-NE 2.78Å; E71-R73 IonicContact OE2-NH2 2.65Å; E71-R73 PolarHBondContact OE2-NH2 2.96Å; E71-V78 HydrophobicContact CG-CG2 4.34Å
72K93.3Very high95.1Very high61 Ų6160.2 Ų60.227%0.26530%0.302SS..EExtended strand (participates in β ladder)trans-116.868.8-179.2-69.4176.3-177.9161.10109.5I70 E74 Y75 E76 Q77 S79I70-K72 HydrophobicContact CG2-CG 4.34Å; K72-E74 VanDerWaalsContact C-N 3.28Å; K72-E74 PolarHBondContact O-N 2.93Å; K72-Y75 HydrophobicContact CB-CD2 4.13Å; K72-Y75 PolarHBondContact O-N 3.3Å; K72-E76 PolarHBondContact O-N 3.46Å; K72-Q77 CarbonylContact C-O 3.49Å; K72-Q77 WeakPolarHBondContact CA-O 3.38Å; K72-Q77 HydrophobicContact CB-CB 4.15Å; K72-Q77 WeakPolarHBondContact CB-O 3.44Å; K72-Q77 PolarHBondContact N-O 3.36Å; K72-Q77 PolarHBondContact O-N 2.61Å; K72-S79 WeakPolarHBondContact CE-OG 3.42Å; K72-S79 PolarHBondContact NZ-OG 3.29Å
73R90.1Very high94.8Very high175 Ų17569.7 Ų69.766%0.6634%0.337SS*.G310 helixtrans-58.3-35.9-169.6-64.4-176.4-177.9-169.4-3113.9E71 Y75 E76E71-R73 IonicContact OE2-CZ 2.84Å; E71-R73 IonicContact OE2-NE 2.83Å; E71-R73 PolarHBondContact OE2-NE 2.78Å; E71-R73 IonicContact OE2-NH2 2.65Å; E71-R73 PolarHBondContact OE2-NH2 2.96Å; R73-Y75 PolarHBondContact O-N 3.5Å; R73-E76 PolarHBondContact O-N 3.16Å; R73-E76 VanDerWaalsContact O-N 3.13Å
74E86.7Confident94.6Very high142 Ų14271.7 Ų71.766%0.66434%0.343SS*.G310 helixtrans-63.8-20176.564.9-132-157.200114.5K72K72-E74 VanDerWaalsContact C-N 3.28Å; K72-E74 PolarHBondContact O-N 2.93Å
75Y87.4Confident94.5Very high90 Ų9072.5 Ų72.535%0.35334%0.338SS..G310 helixtrans-1083.5177.2-59.2-75000112.4C4 K72 R73 Q77C4-Y75 HydrophobicContact CB-CD1 4.49Å; C4-Y75 HydrophobicContact CB-CE1 4.02Å; C4-Y75 WeakPolarHBondContact SG-CE1 3.44Å; K72-Y75 HydrophobicContact CB-CD2 4.13Å; K72-Y75 PolarHBondContact O-N 3.3Å; R73-Y75 PolarHBondContact O-N 3.5Å; Y75-Q77 WeakPolarHBondContact O-CG 3.34Å; Y75-Q77 PolarHBondContact O-N 2.93Å
76E93.1Very high94.3Very high36 Ų3670.3 Ų70.317%0.16833%0.327CS..THydrogen-bonded Turntrans50.545.1-170.9-55.7-177.9161.500111.8N51 A52 K53 K72 R73 R133N51-E76 CarbonylContact C-O 3.59Å; N51-E76 WeakPolarHBondContact CA-O 3.48Å; N51-E76 PolarHBondContact ND2-O 2.93Å; A52-E76 PolarHBondContact N-O 3.04Å; A52-E76 CarbonylContact O-C 3.55Å; A52-E76 VanDerWaalsContact O-CA 3.26Å; A52-E76 WeakPolarHBondContact O-CA 3.31Å; K53-E76 HydrophobicContact CB-CB 4.33Å; K53-E76 HydrophobicContact CB-CG 4.29Å; K53-E76 HydrophobicContact CD-CG 4.31Å; K53-E76 VanDerWaalsContact CD-OE1 3.23Å; K53-E76 WeakPolarHBondContact CD-OE1 3.39Å; K53-E76 VanDerWaalsContact CE-OE1 3.22Å; K53-E76 WeakPolarHBondContact CE-OE1 3.48Å; K53-E76 HydrophobicContact CG-CG 4.3Å; K53-E76 IonicContact NZ-OE1 3.06Å; K53-E76 PolarHBondContact NZ-OE1 3.05Å; K72-E76 PolarHBondContact O-N 3.46Å; R73-E76 PolarHBondContact O-N 3.16Å; R73-E76 VanDerWaalsContact O-N 3.13Å; E76-R133 VanDerWaalsContact OE2-CD 3.32Å; E76-R133 WeakPolarHBondContact OE2-CD 3.46Å; E76-R133 IonicContact OE2-CZ 3.23Å; E76-R133 IonicContact OE2-NE 3.67Å; E76-R133 IonicContact OE2-NH1 3.02Å; E76-R133 PolarHBondContact OE2-NH1 2.99Å
77Q94.8Very high93.9Very high21 Ų2167.1 Ų67.110%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-132156.7-174.7-78.3172.9-100112.5L49 L50 A52 K72 Y75L49-Q77 HydrophobicContact CD1-CB 4.09Å; L49-Q77 HydrophobicContact CD1-CG 4.33Å; L50-Q77 CarbonylContact O-C 3.53Å; L50-Q77 VanDerWaalsContact O-CA 3.25Å; L50-Q77 WeakPolarHBondContact O-CA 3.24Å; A52-Q77 PolarHBondContact O-N 3.44Å; K72-Q77 CarbonylContact C-O 3.49Å; K72-Q77 WeakPolarHBondContact CA-O 3.38Å; K72-Q77 HydrophobicContact CB-CB 4.15Å; K72-Q77 WeakPolarHBondContact CB-O 3.44Å; K72-Q77 PolarHBondContact N-O 3.36Å; K72-Q77 PolarHBondContact O-N 2.61Å; Y75-Q77 WeakPolarHBondContact O-CG 3.34Å; Y75-Q77 PolarHBondContact O-N 2.93Å
78V96.8Very high93.6Very high1 Ų171.2 Ų71.21%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-136.5134.9168.960.40000109.3L50 A52 V57 V69 I70 E71 F80 P137L50-V78 HydrophobicContact CB-CG1 4.12Å; L50-V78 PolarHBondContact N-O 2.74Å; L50-V78 PolarHBondContact O-N 2.88Å; A52-V78 HydrophobicContact CB-CB 4.14Å; A52-V78 HydrophobicContact CB-CG1 3.67Å; V57-V78 HydrophobicContact CG2-CG2 4.4Å; V69-V78 HydrophobicContact CG1-CG2 3.59Å; I70-V78 WeakPolarHBondContact O-CA 3.39Å; E71-V78 HydrophobicContact CG-CG2 4.34Å; V78-F80 HydrophobicContact CG1-CE2 3.7Å; V78-F80 HydrophobicContact CG1-CZ 3.89Å; V78-F80 HydrophobicContact CG2-CE1 4.41Å; V78-F80 HydrophobicContact CG2-CE2 4.22Å; V78-F80 HydrophobicContact CG2-CZ 3.98Å; V78-P137 HydrophobicContact CG1-CB 4.14Å
79S97.1Very high93.4Very high0 Ų066.5 Ų66.50%033%0.329CS..EExtended strand (participates in β ladder)trans-109.2132.4177.9-52.90000110.4Q47 L49 V69 I70 K72Q47-S79 PolarHBondContact OE1-OG 3.36Å; L49-S79 WeakPolarHBondContact CD1-OG 3.48Å; V69-S79 WeakPolarHBondContact CA-O 3.38Å; I70-S79 PolarHBondContact N-O 3.26Å; I70-S79 PolarHBondContact O-N 2.99Å; K72-S79 WeakPolarHBondContact CE-OG 3.42Å; K72-S79 PolarHBondContact NZ-OG 3.29Å
80F97.8Very high93.3Very high0 Ų070.2 Ų70.20%035%0.346CS..EExtended strand (participates in β ladder)trans-108.1108173-56.7-85.3000108.4Q47 I48 L50 V57 A60 V67 E68 V69 V78 L82 L93 V95Q47-F80 CarbonylContact C-O 3.59Å; Q47-F80 VanDerWaalsContact CA-O 3.24Å; Q47-F80 WeakPolarHBondContact CA-O 2.91Å; I48-F80 HydrophobicContact CB-CB 4.34Å; I48-F80 PolarHBondContact N-O 3.38Å; I48-F80 WeakPolarHBondContact O-CD2 3.36Å; I48-F80 PolarHBondContact O-N 3.27Å; L50-F80 HydrophobicContact CB-CE2 4.38Å; L50-F80 HydrophobicContact CD1-CD2 4.38Å; L50-F80 HydrophobicContact CD1-CE2 3.7Å; L50-F80 HydrophobicContact CG-CD2 4.37Å; L50-F80 HydrophobicContact CG-CE2 3.97Å; V57-F80 HydrophobicContact CG1-CE1 4.42Å; A60-F80 HydrophobicContact CB-CD1 3.56Å; A60-F80 HydrophobicContact CB-CE1 3.58Å; V67-F80 HydrophobicContact CG2-CB 4.12Å; V67-F80 HydrophobicContact CG2-CD1 4.16Å; E68-F80 WeakPolarHBondContact O-CA 3.38Å; V69-F80 HydrophobicContact CG1-CE1 4.26Å; V69-F80 HydrophobicContact CG2-CD1 4Å; V69-F80 HydrophobicContact CG2-CE1 4.13Å; V78-F80 HydrophobicContact CG1-CE2 3.7Å; V78-F80 HydrophobicContact CG1-CZ 3.89Å; V78-F80 HydrophobicContact CG2-CE1 4.41Å; V78-F80 HydrophobicContact CG2-CE2 4.22Å; V78-F80 HydrophobicContact CG2-CZ 3.98Å; F80-L82 PolarHBondContact O-N 2.91Å; F80-L93 HydrophobicContact CB-CD1 4.15Å; F80-L93 HydrophobicContact CD1-CD1 3.98Å; F80-L93 HydrophobicContact CD1-CD2 4.37Å; F80-L93 HydrophobicContact CD2-CD1 4.46Å; F80-L93 HydrophobicContact CD2-CD2 3.6Å; F80-L93 HydrophobicContact CE2-CD2 3.77Å; F80-L93 HydrophobicContact CG-CD1 3.93Å; F80-L93 HydrophobicContact CG-CD2 3.93Å; F80-L93 HydrophobicContact CZ-CD2 4.22Å; F80-V95 HydrophobicContact CE1-CG1 4.16Å; F80-V95 HydrophobicContact CE1-CG2 3.85Å; F80-V95 HydrophobicContact CZ-CG1 4.22Å; F80-V95 HydrophobicContact CZ-CG2 3.82Å
81I97.6Very high93.3Very high46 Ų4667.8 Ų67.824%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-82.1119.3-173.7-48.4-55.6000109.5Q47 V67 E68 I70Q47-I81 HydrophobicContact CB-CD1 3.96Å; V67-I81 WeakPolarHBondContact CB-O 3.48Å; V67-I81 WeakPolarHBondContact CG1-O 3.21Å; E68-I81 HydrophobicContact CB-CB 4.07Å; E68-I81 HydrophobicContact CB-CG1 4.19Å; E68-I81 HydrophobicContact CG-CG1 4.38Å; E68-I81 PolarHBondContact O-N 2.96Å; I70-I81 HydrophobicContact CD1-CD1 3.93Å; I70-I81 HydrophobicContact CD1-CG1 3.86Å; I70-I81 HydrophobicContact CG1-CG1 4.24Å
82L95.6Very high93.4Very high11 Ų1166.8 Ų66.86%0.05833%0.332CS..EExtended strand (participates in β ladder)trans-75.2143.4178.3-57.1175.5000109.4I41 T45 S46 I48 F62 F80 E84 L86I41-L82 HydrophobicContact CD1-CD1 4.25Å; T45-L82 HydrophobicContact CG2-CD1 4.48Å; S46-L82 WeakPolarHBondContact O-CB 3.15Å; S46-L82 PolarHBondContact O-N 2.74Å; I48-L82 HydrophobicContact CD1-CD2 4.15Å; I48-L82 HydrophobicContact CG1-CD1 4.47Å; I48-L82 HydrophobicContact CG1-CD2 4.25Å; F62-L82 HydrophobicContact CB-CD2 4.04Å; F62-L82 HydrophobicContact CD1-CD2 3.68Å; F62-L82 HydrophobicContact CD2-CD2 4.18Å; F62-L82 HydrophobicContact CE1-CD2 4.15Å; F62-L82 HydrophobicContact CG-CD2 3.68Å; F80-L82 PolarHBondContact O-N 2.91Å; L82-E84 WeakPolarHBondContact CB-O 3.44Å; L82-E84 PolarHBondContact O-N 3.32Å; L82-L86 HydrophobicContact CD1-CD1 4.17Å; L82-L86 HydrophobicContact CD1-CG 4.42Å
83R91.9Very high93.7Very high210 Ų21063.9 Ų63.979%0.79232%0.319SS*.EExtended strand (participates in β ladder)trans-62.1-32.8-180-173.7176.5-178.9178.71.1112.7
84E91.5Very high94.1Very high130 Ų13061.9 Ų61.961%0.60731%0.312SS*.EExtended strand (participates in β ladder)trans-140.4149.8175.360.2-167.8172.100109.2L82 L86L82-E84 WeakPolarHBondContact CB-O 3.44Å; L82-E84 PolarHBondContact O-N 3.32Å; E84-L86 HydrophobicContact CG-CD2 4.2Å; E84-L86 PolarHBondContact O-N 3.32Å
85P92.6Very high94.6Very high79 Ų7955.2 Ų55.251%0.51328%0.281SS..EExtended strand (participates in β ladder)trans-58.9136.9171.3-21.633000111E44 T45E44-P85 HydrophobicContact CG-CB 3.86Å; T45-P85 VanDerWaalsContact O-CA 3.31Å; T45-P85 WeakPolarHBondContact O-CA 3.3Å
86L92Very high95.2Very high38 Ų3855.1 Ų55.120%0.19928%0.283CS..EExtended strand (participates in β ladder)trans-122143.1178.7-64.4176.6000109.7I41 E44 T45 F62 L82 E84 A89I41-L86 HydrophobicContact CD1-CB 3.73Å; I41-L86 HydrophobicContact CD1-CD1 3.8Å; I41-L86 HydrophobicContact CD1-CG 4.42Å; I41-L86 HydrophobicContact CG2-CB 4.4Å; I41-L86 VanDerWaalsContact CG2-O 3.24Å; I41-L86 WeakPolarHBondContact CG2-O 3.3Å; E44-L86 VanDerWaalsContact CA-O 3.26Å; E44-L86 WeakPolarHBondContact CA-O 3.24Å; T45-L86 PolarHBondContact N-O 3.1Å; T45-L86 PolarHBondContact O-N 3.47Å; F62-L86 HydrophobicContact CD1-CD1 4.2Å; F62-L86 HydrophobicContact CE1-CD1 3.37Å; F62-L86 HydrophobicContact CZ-CD1 4.08Å; L82-L86 HydrophobicContact CD1-CD1 4.17Å; L82-L86 HydrophobicContact CD1-CG 4.42Å; E84-L86 HydrophobicContact CG-CD2 4.2Å; E84-L86 PolarHBondContact O-N 3.32Å; L86-A89 HydrophobicContact CB-CB 4.47Å
87A89.1Confident95.4Very high49 Ų4953.6 Ų53.641%0.40528%0.276SS..  trans-140.5142.8175.800000109.9E44 A89E44-A87 HydrophobicContact CB-CB 3.86Å; E44-A87 HydrophobicContact CG-CB 4.29Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.32Å
88S90.5Very high95.6Very high104 Ų10455.3 Ų55.373%0.72729%0.288SS*.SBendtrans49.645.5-179.5-52.90000113.4I41I41-S88 CarbonylContact O-C 3.49Å; I41-S88 WeakPolarHBondContact O-CA 3.43Å; I41-S88 PolarHBondContact O-N 3.3Å
89A92.8Very high95.7Very high28 Ų2855.3 Ų55.323%0.23129%0.288CS..EExtended strand (participates in β ladder)trans-125.4145.8-173.100000112I41 L86 A87I41-A89 PolarHBondContact N-O 2.86Å; I41-A89 PolarHBondContact O-N 3.32Å; L86-A89 HydrophobicContact CB-CB 4.47Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.32Å
90L96.4Very high95.6Very high126 Ų12659 Ų5966%0.6631%0.307SS*.EExtended strand (participates in β ladder)trans-93.6145.6166.5-64.8176.4000109.5I16 V39I16-L90 HydrophobicContact CD1-CD2 3.63Å; V39-L90 WeakPolarHBondContact O-CA 3.48Å
91G96.4Very high95.6Very high11 Ų1159.1 Ų59.111%0.11331%0.308CS..EExtended strand (participates in β ladder)trans-161.5172.7174.400000113.9S38 V39 N63S38-G91 WeakPolarHBondContact CA-O 3.49Å; V39-G91 PolarHBondContact N-O 3.33Å; V39-G91 PolarHBondContact O-N 3.14Å; N63-G91 WeakPolarHBondContact OD1-CA 3.44Å
92E98.2Very high95.4Very high45 Ų4558 Ų5821%0.2130%0.304CS..EExtended strand (participates in β ladder)trans-125.4118.8-178.1-172.7-172.1-131.500109.6S36 L37 F62 N63 R94S36-E92 WeakPolarHBondContact OG-CG 3.26Å; S36-E92 PolarHBondContact OG-OE1 2.74Å; L37-E92 WeakPolarHBondContact O-CA 3.15Å; F62-E92 CarbonylContact C-O 3.59Å; F62-E92 WeakPolarHBondContact CA-O 3.49Å; N63-E92 PolarHBondContact N-O 2.96Å; N63-E92 PolarHBondContact OD1-N 3.45Å; E92-R94 VanDerWaalsContact CD-NH2 3.34Å; E92-R94 HydrophobicContact CG-CG 4.26Å; E92-R94 IonicContact OE1-CZ 2.7Å; E92-R94 IonicContact OE1-NE 3.45Å; E92-R94 IonicContact OE1-NH2 3.19Å; E92-R94 PolarHBondContact OE1-NH2 3.02Å; E92-R94 VanDerWaalsContact OE1-NH2 3.13Å; E92-R94 IonicContact OE2-CZ 3.17Å; E92-R94 IonicContact OE2-NE 2.76Å; E92-R94 PolarHBondContact OE2-NE 3.24Å; E92-R94 IonicContact OE2-NH2 3.38Å; E92-R94 PolarHBondContact OE2-NH2 2.85Å
93L98.6Very high95.1Very high0 Ų064.4 Ų64.40%033%0.334CS..EExtended strand (participates in β ladder)trans-94.3118.5169.4177.869.1000109S36 L37 I48 L50 T61 F62 V67 F80 V95S36-L93 CarbonylContact C-O 3.59Å; L37-L93 HydrophobicContact CB-CB 4.37Å; L37-L93 PolarHBondContact N-O 2.79Å; L37-L93 PolarHBondContact O-N 2.77Å; I48-L93 HydrophobicContact CD1-CB 4.36Å; I48-L93 HydrophobicContact CG2-CD2 4.23Å; L50-L93 HydrophobicContact CD1-CD2 4Å; T61-L93 WeakPolarHBondContact O-CA 3.25Å; F62-L93 HydrophobicContact CD2-CB 4.14Å; V67-L93 HydrophobicContact CG2-CD1 4.34Å; F80-L93 HydrophobicContact CB-CD1 4.15Å; F80-L93 HydrophobicContact CD1-CD1 3.98Å; F80-L93 HydrophobicContact CD1-CD2 4.37Å; F80-L93 HydrophobicContact CD2-CD1 4.46Å; F80-L93 HydrophobicContact CD2-CD2 3.6Å; F80-L93 HydrophobicContact CE2-CD2 3.77Å; F80-L93 HydrophobicContact CG-CD1 3.93Å; F80-L93 HydrophobicContact CG-CD2 3.93Å; F80-L93 HydrophobicContact CZ-CD2 4.22Å; L93-V95 HydrophobicContact CD1-CG2 4.3Å; L93-V95 HydrophobicContact CD2-CG2 3.95Å; L93-V95 HydrophobicContact CG-CG2 3.77Å
94R98.8Very high94.7Very high133 Ų13359.2 Ų59.250%0.50232%0.317SS..EExtended strand (participates in β ladder)trans-103.5132.9171.3-60.4179.5-178.8-124.7-11.6109.9L35 A60 T61 E92L35-R94 CarbonylContact O-C 3.56Å; L35-R94 VanDerWaalsContact O-CA 3.25Å; L35-R94 WeakPolarHBondContact O-CA 3.39Å; A60-R94 CarbonylContact C-O 3.03Å; A60-R94 WeakPolarHBondContact CA-O 3.41Å; T61-R94 PolarHBondContact N-O 3.26Å; T61-R94 PolarHBondContact O-N 2.83Å; E92-R94 VanDerWaalsContact CD-NH2 3.34Å; E92-R94 HydrophobicContact CG-CG 4.26Å; E92-R94 IonicContact OE1-CZ 2.7Å; E92-R94 IonicContact OE1-NE 3.45Å; E92-R94 IonicContact OE1-NH2 3.19Å; E92-R94 PolarHBondContact OE1-NH2 3.02Å; E92-R94 VanDerWaalsContact OE1-NH2 3.13Å; E92-R94 IonicContact OE2-CZ 3.17Å; E92-R94 IonicContact OE2-NE 2.76Å; E92-R94 PolarHBondContact OE2-NE 3.24Å; E92-R94 IonicContact OE2-NH2 3.38Å; E92-R94 PolarHBondContact OE2-NH2 2.85Å
95V98.8Very high94.7Very high2 Ų253.9 Ų53.91%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-133.7126.6-177.4-168.70000109.8N34 L35 V57 K59 A60 F80 L93 Y97 P137N34-V95 WeakPolarHBondContact CA-O 3.44Å; L35-V95 HydrophobicContact CB-CB 4.24Å; L35-V95 HydrophobicContact CD2-CB 4.46Å; L35-V95 HydrophobicContact CD2-CG2 4.27Å; L35-V95 PolarHBondContact N-O 2.82Å; L35-V95 PolarHBondContact O-N 3.06Å; V57-V95 HydrophobicContact CB-CG1 4.41Å; V57-V95 HydrophobicContact CG1-CG1 3.67Å; V57-V95 HydrophobicContact CG2-CG1 3.94Å; K59-V95 WeakPolarHBondContact O-CA 3.47Å; A60-V95 HydrophobicContact CB-CG2 4.44Å; F80-V95 HydrophobicContact CE1-CG1 4.16Å; F80-V95 HydrophobicContact CE1-CG2 3.85Å; F80-V95 HydrophobicContact CZ-CG1 4.22Å; F80-V95 HydrophobicContact CZ-CG2 3.82Å; L93-V95 HydrophobicContact CD1-CG2 4.3Å; L93-V95 HydrophobicContact CD2-CG2 3.95Å; L93-V95 HydrophobicContact CG-CG2 3.77Å; V95-Y97 HydrophobicContact CG1-CD1 4.27Å; V95-P137 HydrophobicContact CG1-CG 4.49Å
96E98.7Very high94.7Very high88 Ų8852.3 Ų52.341%0.41128%0.278SS..EExtended strand (participates in β ladder)trans-100.5131.2166.7-59.5175.9-156.600108S58 K59S58-E96 PolarHBondContact N-O 3.05Å; S58-E96 WeakPolarHBondContact OG-CB 3.49Å; S58-E96 PolarHBondContact OG-O 3.49Å; S58-E96 VanDerWaalsContact OG-O 3.05Å; K59-E96 HydrophobicContact CB-CB 4.15Å; K59-E96 HydrophobicContact CB-CG 4.35Å; K59-E96 PolarHBondContact N-O 3.18Å; K59-E96 PolarHBondContact O-N 2.83Å
97Y98.5Very high94.8Very high4 Ų450.5 Ų50.52%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-153.5168.5-173.366.7-84.1000113.1F31 G33 L35 I55 S56 V95 V135 F136F31-Y97 AromaticContact CE2-CE2 3.89Å; F31-Y97 HydrophobicContact CE2-CE2 3.89Å; G33-Y97 VanDerWaalsContact C-CE1 3.44Å; G33-Y97 PolarHBondContact N-O 3.29Å; G33-Y97 VanDerWaalsContact O-CD1 3.26Å; G33-Y97 WeakPolarHBondContact O-CD1 3.46Å; G33-Y97 PolarHBondContact O-N 3.01Å; L35-Y97 HydrophobicContact CB-CE1 3.9Å; I55-Y97 HydrophobicContact CD1-CD2 4.48Å; I55-Y97 HydrophobicContact CD1-CE2 4.39Å; I55-Y97 HydrophobicContact CG2-CD2 3.57Å; I55-Y97 HydrophobicContact CG2-CE2 4.45Å; I55-Y97 HydrophobicContact CG2-CG 4.03Å; S56-Y97 CarbonylContact O-C 3.49Å; S56-Y97 VanDerWaalsContact O-CA 3.31Å; S56-Y97 WeakPolarHBondContact O-CA 3.45Å; S56-Y97 WeakPolarHBondContact O-CB 3.42Å; V95-Y97 HydrophobicContact CG1-CD1 4.27Å; Y97-V135 WeakPolarHBondContact CE2-O 3.34Å; Y97-V135 PolarHBondContact OH-O 3.49Å; Y97-F136 VanDerWaalsContact OH-CB 3.27Å; Y97-F136 WeakPolarHBondContact OH-CB 3.33Å
98T98.4Very high95.2Very high57 Ų5748.3 Ų48.335%0.3525%0.25SC..EExtended strand (participates in β ladder)trans-128.7148.6174.460.20000110.2F31 T32 I55 S56F31-T98 WeakPolarHBondContact O-CA 3.38Å; T32-T98 HydrophobicContact CG2-CG2 4.19Å; I55-T98 CarbonylContact C-O 3.57Å; I55-T98 WeakPolarHBondContact CA-O 3.36Å; S56-T98 PolarHBondContact N-O 2.99Å; S56-T98 PolarHBondContact O-N 3.3Å
99G97.7Very high95.5Very high1 Ų143.4 Ų43.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-142.5179.3176.700000112.4R30 F31R30-G99 WeakPolarHBondContact CA-O 3.42Å; F31-G99 VanDerWaalsContact CE1-C 3.41Å; F31-G99 PolarHBondContact N-O 3.36Å; F31-G99 VanDerWaalsContact N-O 3.07Å; F31-G99 PolarHBondContact O-N 3.49Å
100I96.8Very high95.6Very high77 Ų7745 Ų4540%0.39522%0.215SC..EExtended strand (participates in β ladder)trans-112.8135.9-176.7-58.8172.5000108.9F31 S102F31-I100 WeakPolarHBondContact CE1-O 3.38Å; I100-S102 PolarHBondContact O-N 3.4Å
101I97.3Very high95.5Very high3 Ų339 Ų392%0.01518%0.184CC..  trans-79.8110.1167.2-62.7171.1000106.7P24 F29 F31 F108 R110 L123P24-I101 HydrophobicContact CB-CD1 4.05Å; F29-I101 HydrophobicContact CB-CB 4.06Å; F29-I101 HydrophobicContact CD1-CG2 4.26Å; F29-I101 WeakPolarHBondContact O-CB 3.33Å; F29-I101 PolarHBondContact O-N 3.32Å; F31-I101 HydrophobicContact CD1-CG1 4.01Å; I101-F108 CarbonylContact C-O 3.43Å; I101-F108 VanDerWaalsContact CA-O 3.28Å; I101-F108 WeakPolarHBondContact CA-O 3.38Å; I101-F108 HydrophobicContact CD1-CE1 4.23Å; I101-F108 HydrophobicContact CG1-CD1 3.99Å; I101-F108 HydrophobicContact CG1-CE1 4.06Å; I101-R110 HydrophobicContact CG2-CB 3.9Å; I101-L123 HydrophobicContact CD1-CD1 3.73Å; I101-L123 HydrophobicContact CD1-CD2 4.2Å; I101-L123 HydrophobicContact CG2-CD2 3.86Å
102S93.2Very high95.3Very high23 Ų2340.2 Ų40.216%0.16119%0.191CC..BIsolated β-bridgetrans-63.8145.4-174.2-172.50000112.1I100 K104 E106 F108 Y109 R110I100-S102 PolarHBondContact O-N 3.4Å; S102-K104 VanDerWaalsContact C-N 3.32Å; S102-K104 WeakPolarHBondContact OG-CB 3.44Å; S102-K104 PolarHBondContact OG-N 2.89Å; S102-K104 PolarHBondContact OG-O 3.45Å; S102-E106 WeakPolarHBondContact CB-O 3.45Å; S102-F108 PolarHBondContact N-O 2.94Å; S102-Y109 VanDerWaalsContact O-CA 3.25Å; S102-Y109 WeakPolarHBondContact O-CA 3.25Å; S102-Y109 WeakPolarHBondContact O-CB 3.46Å; S102-R110 PolarHBondContact O-N 3.2Å
103E88.7Confident94.9Very high144 Ų14438.9 Ų38.967%0.67318%0.184SC*.SBendtrans-83.1-17.5165.9-53.5-17016300111.4R110E103-R110 IonicContact OE1-CZ 2.69Å; E103-R110 IonicContact OE1-NH1 3.05Å; E103-R110 IonicContact OE1-NH2 2.58Å; E103-R110 PolarHBondContact OE1-NH2 3.05Å; E103-R110 IonicContact OE2-NH2 3.86Å
104K84.8Confident94.3Very high101 Ų10143.7 Ų43.744%0.43921%0.209SC..SBendtrans-85.1150.7174.9-57.2-176.8177.4-1730109.1S102 E106 Y109S102-K104 VanDerWaalsContact C-N 3.32Å; S102-K104 WeakPolarHBondContact OG-CB 3.44Å; S102-K104 PolarHBondContact OG-N 2.89Å; S102-K104 PolarHBondContact OG-O 3.45Å; K104-E106 PolarHBondContact O-N 2.81Å; K104-Y109 WeakPolarHBondContact O-CB 3.34Å
105M90.7Very high93.5Very high19 Ų1940.2 Ų40.29%0.09421%0.205CC..SBendtrans-7646-177-63.8170.1-69.400112.8Y109 N261 M262 C263 Q783 L823M105-Y109 HydrophobicContact CB-CE2 4.45Å; M105-Y109 HydrophobicContact CG-CE2 4.43Å; M105-N261 HydrophobicContact CG-CB 4.31Å; M105-N261 HydrophobicContact SD-CB 4.28Å; M105-M262 PolarHBondContact SD-N 2.95Å; M105-C263 HydrophobicContact CB-CB 3.69Å; M105-C263 HydrophobicContact CE-CB 4.06Å; M105-C263 PolarHBondContact O-SG 2.82Å; M105-C263 HydrophobicContact SD-CB 4.31Å; M105-C263 PolarHBondContact SD-N 3.42Å; M105-C263 VanDerWaalsContact SD-N 3.39Å; M105-Q783 HydrophobicContact CE-CB 4.15Å; M105-Q783 HydrophobicContact SD-CB 4.03Å; M105-L823 HydrophobicContact CE-CD1 3.93Å
106E91.4Very high92.6Very high46 Ų4643.6 Ų43.622%0.21524%0.24CC..SBendtrans-146.8151.9-176.2-165.7-167170.200109.8S102 K104 Q134S102-E106 WeakPolarHBondContact CB-O 3.45Å; K104-E106 PolarHBondContact O-N 2.81Å; E106-Q134 PolarHBondContact OE1-NE2 3.15Å; E106-Q134 PolarHBondContact OE2-NE2 3.39Å
107G95Very high91.9Very high0 Ų049.1 Ų49.10%027%0.266CS..EExtended strand (participates in β ladder)trans71.7-139.9-178.300000110.5T125 H126 F127G107-T125 CarbonylContact O-C 3.6Å; G107-T125 VanDerWaalsContact O-CA 3.24Å; G107-T125 WeakPolarHBondContact O-CA 3.49Å; G107-H126 PolarHBondContact N-O 3.31Å; G107-H126 PolarHBondContact O-N 3.35Å; G107-F127 WeakPolarHBondContact O-CE1 3.41Å
108F97.5Very high91.4Very high2 Ų255.3 Ų55.31%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-96.9112.8167.9-175.5-151.5000108.4I22 P24 F31 I101 S102 L123 S124 T125 V135 F194I22-F108 HydrophobicContact CG2-CE1 4.19Å; P24-F108 HydrophobicContact CB-CE1 3.95Å; P24-F108 HydrophobicContact CB-CZ 4.05Å; P24-F108 HydrophobicContact CG-CZ 4.47Å; F31-F108 HydrophobicContact CB-CE1 4.47Å; F31-F108 AromaticContact CD1-CD1 3.76Å; F31-F108 HydrophobicContact CD1-CD1 3.76Å; F31-F108 HydrophobicContact CD1-CE1 4.32Å; F31-F108 HydrophobicContact CE1-CD1 4.03Å; F31-F108 HydrophobicContact CG-CD1 4.21Å; F31-F108 HydrophobicContact CG-CE1 4.44Å; I101-F108 CarbonylContact C-O 3.43Å; I101-F108 VanDerWaalsContact CA-O 3.28Å; I101-F108 WeakPolarHBondContact CA-O 3.38Å; I101-F108 HydrophobicContact CD1-CE1 4.23Å; I101-F108 HydrophobicContact CG1-CD1 3.99Å; I101-F108 HydrophobicContact CG1-CE1 4.06Å; S102-F108 PolarHBondContact N-O 2.94Å; F108-L123 HydrophobicContact CE2-CB 3.55Å; F108-L123 HydrophobicContact CE2-CD1 4.43Å; F108-L123 HydrophobicContact CZ-CB 3.84Å; F108-L123 HydrophobicContact CZ-CD1 3.87Å; F108-L123 HydrophobicContact CZ-CG 4.5Å; F108-S124 WeakPolarHBondContact CD2-O 3.16Å; F108-T125 HydrophobicContact CB-CG2 4.48Å; F108-T125 HydrophobicContact CD2-CG2 3.94Å; F108-V135 HydrophobicContact CB-CB 4.44Å; F108-V135 HydrophobicContact CB-CG1 4.09Å; F108-V135 HydrophobicContact CB-CG2 3.51Å; F108-V135 VanDerWaalsContact N-CG2 3.28Å; F108-F194 HydrophobicContact CD1-CE2 4.31Å; F108-F194 HydrophobicContact CD2-CD2 4.46Å; F108-F194 AromaticContact CD2-CE2 3.75Å; F108-F194 HydrophobicContact CD2-CE2 3.75Å; F108-F194 HydrophobicContact CE1-CE2 4.18Å; F108-F194 HydrophobicContact CE2-CD2 4.06Å; F108-F194 AromaticContact CE2-CE2 3.61Å; F108-F194 HydrophobicContact CE2-CE2 3.61Å; F108-F194 HydrophobicContact CG-CE2 4.12Å; F108-F194 HydrophobicContact CZ-CD2 4.44Å; F108-F194 AromaticContact CZ-CE2 3.85Å; F108-F194 HydrophobicContact CZ-CE2 3.85Å
109Y96.4Very high91Very high1 Ų157.3 Ų57.30%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-131.4160.2-16672.3-86.4000113S102 K104 M105 L123 S124 H126 N261S102-Y109 VanDerWaalsContact O-CA 3.25Å; S102-Y109 WeakPolarHBondContact O-CA 3.25Å; S102-Y109 WeakPolarHBondContact O-CB 3.46Å; K104-Y109 WeakPolarHBondContact O-CB 3.34Å; M105-Y109 HydrophobicContact CB-CE2 4.45Å; M105-Y109 HydrophobicContact CG-CE2 4.43Å; Y109-L123 WeakPolarHBondContact O-CA 3.29Å; Y109-S124 WeakPolarHBondContact CD1-O 3.42Å; Y109-S124 PolarHBondContact N-O 2.82Å; Y109-S124 PolarHBondContact O-N 3.02Å; Y109-H126 HydrophobicContact CE1-CB 3.92Å; Y109-N261 VanDerWaalsContact CE2-O 3.26Å; Y109-N261 WeakPolarHBondContact CE2-O 3.18Å; Y109-N261 PolarHBondContact OH-O 3.27Å
110R95.4Very high90.7Very high61 Ų6159.3 Ų59.323%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-95.6130.5174.171.5-176.7-168.3-159.5-3.7110.4F29 I101 S102 E103 Y121 L123F29-R110 HydrophobicContact CD1-CB 4.06Å; F29-R110 VanDerWaalsContact CD1-CD 3.48Å; F29-R110 HydrophobicContact CD1-CG 4.36Å; F29-R110 HydrophobicContact CE1-CB 3.98Å; F29-R110 VanDerWaalsContact CE1-CD 3.46Å; F29-R110 HydrophobicContact CE1-CG 4.35Å; I101-R110 HydrophobicContact CG2-CB 3.9Å; S102-R110 PolarHBondContact O-N 3.2Å; E103-R110 IonicContact OE1-CZ 2.69Å; E103-R110 IonicContact OE1-NH1 3.05Å; E103-R110 IonicContact OE1-NH2 2.58Å; E103-R110 PolarHBondContact OE1-NH2 3.05Å; E103-R110 IonicContact OE2-NH2 3.86Å; R110-Y121 HydrophobicContact CB-CD1 4.21Å; R110-Y121 HydrophobicContact CG-CD1 4.48Å; R110-L123 HydrophobicContact CB-CD2 3.86Å
111S94.7Very high90.7Very high0 Ų058.2 Ų58.20%030%0.3CS..EExtended strand (participates in β ladder)trans-111133.6166.7172.50000108Y121 L122 P260 N261S111-Y121 WeakPolarHBondContact O-CA 3.24Å; S111-L122 PolarHBondContact N-O 2.95Å; S111-L122 PolarHBondContact O-N 3.19Å; S111-P260 WeakPolarHBondContact OG-CB 3.33Å; S111-P260 WeakPolarHBondContact OG-CD 3.34Å; S111-N261 WeakPolarHBondContact CA-OD1 3.3Å; S111-N261 WeakPolarHBondContact OG-CB 3.48Å; S111-N261 PolarHBondContact OG-N 2.76Å; S111-N261 PolarHBondContact OG-OD1 2.87Å
112S91.4Very high90.7Very high38 Ų3858.2 Ų58.227%0.26630%0.3SS..EExtended strand (participates in β ladder)trans-113.6154.5179.974.80000112.6E119 H120 N261S112-E119 VanDerWaalsContact CB-OE1 3.29Å; S112-E119 WeakPolarHBondContact CB-OE1 3.36Å; S112-E119 PolarHBondContact OG-OE1 2.87Å; S112-E119 VanDerWaalsContact OG-OE1 3.06Å; S112-H120 VanDerWaalsContact CA-O 3.26Å; S112-H120 WeakPolarHBondContact CA-O 3.18Å; S112-N261 PolarHBondContact N-OD1 3.34Å; S112-N261 PolarHBondContact O-OD1 2.85Å; S112-N261 VanDerWaalsContact O-OD1 3.1Å
113Y89.6Confident90.9Very high16 Ų1657.1 Ų57.16%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-150.9149.9174.164.3-90.6000110.8H120 R217 P260Y113-H120 HydrophobicContact CD1-CB 4.18Å; Y113-H120 HydrophobicContact CD2-CB 3.96Å; Y113-H120 HydrophobicContact CE1-CB 3.67Å; Y113-H120 HydrophobicContact CE2-CB 3.44Å; Y113-H120 VanDerWaalsContact CE2-CB 3.44Å; Y113-H120 AromaticContact CE2-CG 3.85Å; Y113-H120 HydrophobicContact CG-CB 4.33Å; Y113-H120 AromaticContact CZ-CG 3.98Å; Y113-H120 PolarHBondContact N-O 2.69Å; Y113-H120 PolarHBondContact O-N 2.81Å; Y113-H120 WeakPolarHBondContact OH-CB 3.19Å; Y113-R217 HydrophobicContact CD1-CB 4.44Å; Y113-R217 VanDerWaalsContact CD2-NH1 3.35Å; Y113-R217 HydrophobicContact CE1-CB 3.89Å; Y113-R217 HydrophobicContact CE2-CB 3.96Å; Y113-R217 HydrophobicContact CE2-CG 4.37Å; Y113-P260 HydrophobicContact CD1-CG 3.99Å; Y113-P260 HydrophobicContact CG-CG 4.45Å
114I85.4Confident91.3Very high101 Ų10150.2 Ų50.252%0.51826%0.261SS..EExtended strand (participates in β ladder)trans-89.8135.4173.3-54.3-56000108.9G116 E119 R217I114-G116 WeakPolarHBondContact CG2-O 3.47Å; I114-E119 HydrophobicContact CD1-CB 3.92Å; I114-E119 HydrophobicContact CD1-CG 4.14Å; I114-R217 PolarHBondContact O-NH1 3.09Å
115S82.6Confident91.9Very high61 Ų6145.4 Ų45.443%0.42724%0.24SC..EExtended strand (participates in β ladder)trans-135.8109.8171.2177.90000108.2E117 E118S115-E117 PolarHBondContact O-N 2.91Å; S115-E118 PolarHBondContact N-O 2.86Å; S115-E118 PolarHBondContact O-N 2.81Å
116G81.3Confident92.2Very high72 Ų7245.4 Ų45.474%0.74224%0.239SC*.THydrogen-bonded Turntrans64.9-123.7-167.300000110.9I114I114-G116 WeakPolarHBondContact CG2-O 3.47Å
117E82.3Confident92.5Very high205 Ų20543.2 Ų43.296%0.95823%0.229SC*.THydrogen-bonded Turntrans-100.3-0.4177.7-62.7-17517500113.1S115S115-E117 PolarHBondContact O-N 2.91Å
118E87.9Confident92.4Very high134 Ų13444.1 Ų44.163%0.62623%0.234SC*.EExtended strand (participates in β ladder)trans-104.6141.4-174.8-65.3-172.3171.400112.2S115 H120S115-E118 PolarHBondContact N-O 2.86Å; S115-E118 PolarHBondContact O-N 2.81Å; E118-H120 PolarHBondContact O-CD2 2.69Å
119E90.1Very high92.1Very high98 Ų9844.2 Ų44.246%0.45824%0.235SC..EExtended strand (participates in β ladder)trans-87.7127.5169.1-173.9179.9-143.300109.9S112 I114 Y121S112-E119 VanDerWaalsContact CB-OE1 3.29Å; S112-E119 WeakPolarHBondContact CB-OE1 3.36Å; S112-E119 PolarHBondContact OG-OE1 2.87Å; S112-E119 VanDerWaalsContact OG-OE1 3.06Å; I114-E119 HydrophobicContact CD1-CB 3.92Å; I114-E119 HydrophobicContact CD1-CG 4.14Å; E119-Y121 VanDerWaalsContact CD-OH 3.26Å; E119-Y121 HydrophobicContact CG-CE2 4.2Å; E119-Y121 PolarHBondContact OE2-OH 2.88Å
120H93.1Very high92Very high43 Ų4344.9 Ų44.920%0.19924%0.239CC..EExtended strand (participates in β ladder)trans-114.9154.5177.2-66.1-100.4000110.7S112 Y113 E118 D198S112-H120 VanDerWaalsContact CA-O 3.26Å; S112-H120 WeakPolarHBondContact CA-O 3.18Å; Y113-H120 HydrophobicContact CD1-CB 4.18Å; Y113-H120 HydrophobicContact CD2-CB 3.96Å; Y113-H120 HydrophobicContact CE1-CB 3.67Å; Y113-H120 HydrophobicContact CE2-CB 3.44Å; Y113-H120 VanDerWaalsContact CE2-CB 3.44Å; Y113-H120 AromaticContact CE2-CG 3.85Å; Y113-H120 HydrophobicContact CG-CB 4.33Å; Y113-H120 AromaticContact CZ-CG 3.98Å; Y113-H120 PolarHBondContact N-O 2.69Å; Y113-H120 PolarHBondContact O-N 2.81Å; Y113-H120 WeakPolarHBondContact OH-CB 3.19Å; E118-H120 PolarHBondContact O-CD2 2.69Å; H120-D198 IonicContact ND1-OD2 3.5Å
121Y95.3Very high92Very high54 Ų5442 Ų4221%0.21223%0.228CC..EExtended strand (participates in β ladder)trans-120.7133.4-179.8-66.4-84.8000111.6F29 R110 S111 E119F29-Y121 AromaticContact CE1-CD1 3.92Å; F29-Y121 HydrophobicContact CE1-CD1 3.92Å; F29-Y121 HydrophobicContact CE1-CE1 4.18Å; F29-Y121 HydrophobicContact CE1-CG 4.11Å; F29-Y121 AromaticContact CZ-CD1 3.8Å; F29-Y121 HydrophobicContact CZ-CD1 3.8Å; F29-Y121 HydrophobicContact CZ-CD2 4.06Å; F29-Y121 AromaticContact CZ-CE1 3.65Å; F29-Y121 HydrophobicContact CZ-CE1 3.65Å; F29-Y121 AromaticContact CZ-CE2 3.95Å; F29-Y121 HydrophobicContact CZ-CE2 3.95Å; F29-Y121 AromaticContact CZ-CG 3.99Å; F29-Y121 HydrophobicContact CZ-CG 3.99Å; F29-Y121 AromaticContact CZ-CZ 3.74Å; R110-Y121 HydrophobicContact CB-CD1 4.21Å; R110-Y121 HydrophobicContact CG-CD1 4.48Å; S111-Y121 WeakPolarHBondContact O-CA 3.24Å; E119-Y121 VanDerWaalsContact CD-OH 3.26Å; E119-Y121 HydrophobicContact CG-CE2 4.2Å; E119-Y121 PolarHBondContact OE2-OH 2.88Å
122L96.9Very high92.1Very high3 Ų342 Ų422%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-108.4122.5163172.961.7000107.6S111 A195 L199 V259S111-L122 PolarHBondContact N-O 2.95Å; S111-L122 PolarHBondContact O-N 3.19Å; L122-A195 HydrophobicContact CD1-CB 4.3Å; L122-L199 HydrophobicContact CD1-CD1 4.38Å; L122-L199 HydrophobicContact CD1-CD2 3.88Å; L122-L199 HydrophobicContact CD1-CG 4.34Å; L122-L199 HydrophobicContact CD2-CD2 4.49Å; L122-V259 HydrophobicContact CD2-CG1 4.11Å
123L98Very high92.4Very high0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans-88.6132.6169.1-52.5-176.9000108.5P24 F26 I101 F108 Y109 R110 A195 V196P24-L123 HydrophobicContact CB-CD1 3.64Å; P24-L123 HydrophobicContact CG-CD1 4.23Å; F26-L123 HydrophobicContact CD1-CG 4.44Å; F26-L123 HydrophobicContact CD2-CD1 4.01Å; F26-L123 HydrophobicContact CE1-CD1 4.06Å; F26-L123 HydrophobicContact CE1-CD2 4.35Å; F26-L123 HydrophobicContact CE1-CG 3.77Å; F26-L123 HydrophobicContact CE2-CD1 3.49Å; F26-L123 VanDerWaalsContact CE2-CD1 3.49Å; F26-L123 HydrophobicContact CE2-CG 4.1Å; F26-L123 HydrophobicContact CG-CD1 4.49Å; F26-L123 HydrophobicContact CZ-CD1 3.52Å; F26-L123 HydrophobicContact CZ-CG 3.57Å; I101-L123 HydrophobicContact CD1-CD1 3.73Å; I101-L123 HydrophobicContact CD1-CD2 4.2Å; I101-L123 HydrophobicContact CG2-CD2 3.86Å; F108-L123 HydrophobicContact CE2-CB 3.55Å; F108-L123 HydrophobicContact CE2-CD1 4.43Å; F108-L123 HydrophobicContact CZ-CB 3.84Å; F108-L123 HydrophobicContact CZ-CD1 3.87Å; F108-L123 HydrophobicContact CZ-CG 4.5Å; Y109-L123 WeakPolarHBondContact O-CA 3.29Å; R110-L123 HydrophobicContact CB-CD2 3.86Å; L123-A195 CarbonylContact O-C 3.52Å; L123-A195 WeakPolarHBondContact O-CA 3.41Å; L123-A195 WeakPolarHBondContact O-CB 3.24Å; L123-V196 HydrophobicContact CB-CB 4.38Å; L123-V196 PolarHBondContact N-O 2.84Å; L123-V196 PolarHBondContact O-N 3.1Å
124S97.7Very high92.8Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-143.1163.1-177.7-167.10000110.8F108 Y109F108-S124 WeakPolarHBondContact CD2-O 3.16Å; Y109-S124 WeakPolarHBondContact CD1-O 3.42Å; Y109-S124 PolarHBondContact N-O 2.82Å; Y109-S124 PolarHBondContact O-N 3.02Å
125T98.1Very high93.4Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-110.7145.2176.752.10000111.9G107 F108 F127 A193 F194G107-T125 CarbonylContact O-C 3.6Å; G107-T125 VanDerWaalsContact O-CA 3.24Å; G107-T125 WeakPolarHBondContact O-CA 3.49Å; F108-T125 HydrophobicContact CB-CG2 4.48Å; F108-T125 HydrophobicContact CD2-CG2 3.94Å; T125-F127 HydrophobicContact CG2-CE1 3.67Å; T125-F127 HydrophobicContact CG2-CE2 4.4Å; T125-F127 HydrophobicContact CG2-CZ 3.47Å; T125-F127 VanDerWaalsContact CG2-CZ 3.47Å; T125-A193 VanDerWaalsContact OG1-CA 3.23Å; T125-A193 WeakPolarHBondContact OG1-CA 3.2Å; T125-F194 HydrophobicContact CG2-CD1 4.13Å; T125-F194 HydrophobicContact CG2-CD2 3.76Å; T125-F194 HydrophobicContact CG2-CE1 3.94Å; T125-F194 HydrophobicContact CG2-CE2 3.55Å; T125-F194 HydrophobicContact CG2-CG 4.06Å; T125-F194 HydrophobicContact CG2-CZ 3.64Å; T125-F194 PolarHBondContact N-O 2.93Å; T125-F194 PolarHBondContact OG1-N 3.02Å; T125-F194 PolarHBondContact OG1-O 2.68Å
126H96.4Very high94.1Very high18 Ų1832.5 Ų32.58%0.08317%0.171CC..EExtended strand (participates in β ladder)trans-144.6108.6165.217672.4000108.9G107 Y109 E128 C263G107-H126 PolarHBondContact N-O 3.31Å; G107-H126 PolarHBondContact O-N 3.35Å; Y109-H126 HydrophobicContact CE1-CB 3.92Å; H126-E128 PolarHBondContact NE2-O 3.29Å; H126-E128 VanDerWaalsContact NE2-O 3.12Å; H126-C263 VanDerWaalsContact CD2-SG 3.53Å; H126-C263 PolarHBondContact NE2-SG 3.01Å; H126-C263 VanDerWaalsContact NE2-SG 3.41Å
127F96.5Very high94.9Very high0 Ų029 Ų290%014%0.135CC..  trans-110-13.5-169.8-64-12.8000114.5G107 T125 A129 T130 G131 A132 V135 F136 Y190 V192 F194G107-F127 WeakPolarHBondContact O-CE1 3.41Å; T125-F127 HydrophobicContact CG2-CE1 3.67Å; T125-F127 HydrophobicContact CG2-CE2 4.4Å; T125-F127 HydrophobicContact CG2-CZ 3.47Å; T125-F127 VanDerWaalsContact CG2-CZ 3.47Å; F127-A129 CarbonylContact O-C 3.46Å; F127-T130 PolarHBondContact O-N 2.99Å; F127-T130 VanDerWaalsContact O-N 3.11Å; F127-G131 PolarHBondContact O-N 2.87Å; F127-A132 HydrophobicContact CB-CB 4.01Å; F127-A132 HydrophobicContact CD1-CB 4.5Å; F127-A132 HydrophobicContact CD2-CB 3.62Å; F127-A132 HydrophobicContact CE2-CB 4.22Å; F127-A132 HydrophobicContact CG-CB 3.8Å; F127-V135 HydrophobicContact CD1-CG2 4.33Å; F127-V135 HydrophobicContact CE1-CB 4.15Å; F127-V135 HydrophobicContact CE1-CG2 3.33Å; F127-V135 HydrophobicContact CZ-CB 3.93Å; F127-V135 HydrophobicContact CZ-CG1 4.16Å; F127-V135 HydrophobicContact CZ-CG2 3.61Å; F127-F136 AromaticContact CE2-CE1 3.92Å; F127-F136 HydrophobicContact CE2-CE1 3.92Å; F127-F136 HydrophobicContact CZ-CE1 4.42Å; F127-Y190 WeakPolarHBondContact CB-O 3.32Å; F127-V192 HydrophobicContact CD2-CB 3.95Å; F127-V192 WeakPolarHBondContact CD2-O 3.32Å; F127-V192 HydrophobicContact CE2-CB 3.78Å; F127-V192 HydrophobicContact CE2-CG1 3.87Å; F127-V192 WeakPolarHBondContact CE2-O 3.45Å; F127-F194 HydrophobicContact CZ-CE1 4.45Å
128E94.7Very high95.7Very high20 Ų2019.3 Ų19.39%0.0939%0.09CC..THydrogen-bonded Turntrans-72.4131.4173.5-166.1170.4-13200110.6H126 Y190 M267 W317 K323 F382H126-E128 PolarHBondContact NE2-O 3.29Å; H126-E128 VanDerWaalsContact NE2-O 3.12Å; E128-Y190 HydrophobicContact CB-CD2 3.89Å; E128-Y190 HydrophobicContact CG-CD2 3.99Å; E128-Y190 HydrophobicContact CG-CE2 4.38Å; E128-M267 HydrophobicContact CB-CE 3.8Å; E128-M267 HydrophobicContact CB-SD 3.58Å; E128-M267 VanDerWaalsContact CB-SD 3.58Å; E128-W317 HydrophobicContact CG-CH2 3.97Å; E128-W317 HydrophobicContact CG-CZ3 4.19Å; E128-K323 IonicContact OE1-NZ 3.26Å; E128-K323 PolarHBondContact OE1-NZ 3.04Å; E128-K323 IonicContact OE2-NZ 2.75Å; E128-K323 PolarHBondContact OE2-NZ 2.94Å; E128-F382 VanDerWaalsContact CD-CZ 3.41Å; E128-F382 HydrophobicContact CG-CE1 4.38Å; E128-F382 HydrophobicContact CG-CE2 4.4Å; E128-F382 HydrophobicContact CG-CZ 3.71Å; E128-F382 WeakPolarHBondContact OE1-CZ 3.48Å
129A91.3Very high96.2Very high4 Ų413 Ų133%0.0336%0.061CC..THydrogen-bonded Turncis-87.1-32.9-200000114.4F127 W317 I378 F382F127-A129 CarbonylContact O-C 3.46Å; A129-W317 HydrophobicContact CB-CD2 4.41Å; A129-W317 HydrophobicContact CB-CH2 3.95Å; A129-W317 HydrophobicContact CB-CZ2 3.79Å; A129-W317 HydrophobicContact CB-CZ3 4.3Å; A129-W317 WeakPolarHBondContact O-CZ2 3.11Å; A129-I378 HydrophobicContact CB-CB 4.12Å; A129-I378 HydrophobicContact CB-CD1 3.89Å; A129-I378 HydrophobicContact CB-CG2 3.42Å; A129-I378 VanDerWaalsContact CB-CG2 3.42Å; A129-F382 HydrophobicContact CB-CE2 4.28Å
130T93.4Very high96.5Very high15 Ų158.4 Ų8.49%0.0924%0.039CC..THydrogen-bonded Turntrans-138.935.2-169.659.40000112.8F127 R133 D140 P375 I378F127-T130 PolarHBondContact O-N 2.99Å; F127-T130 VanDerWaalsContact O-N 3.11Å; T130-R133 VanDerWaalsContact O-CD 3.31Å; T130-R133 WeakPolarHBondContact O-CD 3.15Å; T130-R133 VanDerWaalsContact O-CG 3.25Å; T130-R133 WeakPolarHBondContact O-CG 3.02Å; T130-R133 PolarHBondContact O-NE 3.18Å; T130-D140 VanDerWaalsContact C-OD2 3.28Å; T130-D140 WeakPolarHBondContact CA-OD2 3.43Å; T130-P375 HydrophobicContact CG2-CB 4.04Å; T130-P375 HydrophobicContact CG2-CG 4.46Å; T130-I378 HydrophobicContact CG2-CD1 3.99Å
131G94.6Very high96.7Very high0 Ų06.5 Ų6.50%03%0.03CC..THydrogen-bonded Turntrans-88.2-15.7-17800000114.2F127 R133 Q134F127-G131 PolarHBondContact O-N 2.87Å; G131-R133 VanDerWaalsContact C-N 3.28Å; G131-R133 PolarHBondContact O-N 2.65Å; G131-Q134 VanDerWaalsContact O-CB 3.27Å; G131-Q134 WeakPolarHBondContact O-CB 3.3Å; G131-Q134 PolarHBondContact O-N 2.84Å
132A98Very high96.7Very high0 Ų04 Ų40%02%0.02CC..G310 helixtrans-63.8-35.8-178.600000111.8F127 Q134 V135 F136 D140F127-A132 HydrophobicContact CB-CB 4.01Å; F127-A132 HydrophobicContact CD1-CB 4.5Å; F127-A132 HydrophobicContact CD2-CB 3.62Å; F127-A132 HydrophobicContact CE2-CB 4.22Å; F127-A132 HydrophobicContact CG-CB 3.8Å; A132-Q134 PolarHBondContact O-N 2.97Å; A132-V135 PolarHBondContact O-N 3.3Å; A132-F136 HydrophobicContact CB-CE1 4.31Å; A132-F136 HydrophobicContact CB-CZ 4.08Å; A132-F136 PolarHBondContact O-N 2.84Å; A132-F136 VanDerWaalsContact O-N 3.15Å; A132-D140 WeakPolarHBondContact CB-OD1 3.43Å
133R97.2Very high96.7Very high1 Ų15.4 Ų5.40%0.0043%0.027CC..G310 helixtrans-59.4-13.7173.272.1-170.861.7-175.5-4.6114.7N51 A52 K53 I55 E76 T130 G131 V135 D140N51-R133 HydrophobicContact CB-CB 3.66Å; N51-R133 HydrophobicContact CB-CG 4.48Å; A52-R133 WeakPolarHBondContact CA-O 3.31Å; K53-R133 HydrophobicContact CB-CG 3.98Å; K53-R133 PolarHBondContact N-O 3.23Å; I55-R133 VanDerWaalsContact CD1-O 3.24Å; I55-R133 WeakPolarHBondContact CD1-O 3.38Å; E76-R133 VanDerWaalsContact OE2-CD 3.32Å; E76-R133 WeakPolarHBondContact OE2-CD 3.46Å; E76-R133 IonicContact OE2-CZ 3.23Å; E76-R133 IonicContact OE2-NE 3.67Å; E76-R133 IonicContact OE2-NH1 3.02Å; E76-R133 PolarHBondContact OE2-NH1 2.99Å; T130-R133 VanDerWaalsContact O-CD 3.31Å; T130-R133 WeakPolarHBondContact O-CD 3.15Å; T130-R133 VanDerWaalsContact O-CG 3.25Å; T130-R133 WeakPolarHBondContact O-CG 3.02Å; T130-R133 PolarHBondContact O-NE 3.18Å; G131-R133 VanDerWaalsContact C-N 3.28Å; G131-R133 PolarHBondContact O-N 2.65Å; R133-V135 VanDerWaalsContact C-N 3.28Å; R133-D140 HydrophobicContact CB-CB 4.16Å; R133-D140 WeakPolarHBondContact CB-OD2 3.14Å; R133-D140 IonicContact CZ-OD2 3.94Å; R133-D140 PolarHBondContact N-OD2 3.1Å; R133-D140 IonicContact NE-OD2 3.87Å; R133-D140 PolarHBondContact NE-OD2 2.94Å; R133-D140 PolarHBondContact NH2-O 2.83Å; R133-D140 IonicContact NH2-OD2 2.93Å
134Q97.1Very high96.7Very high15 Ų155.8 Ų5.87%0.073%0.029CC..G310 helixtrans-81-11.4173.7-58.9-176.226.800112.9K53 E106 G131 A132K53-Q134 HydrophobicContact CB-CG 4.08Å; K53-Q134 HydrophobicContact CD-CG 3.86Å; K53-Q134 HydrophobicContact CG-CG 4.24Å; K53-Q134 VanDerWaalsContact O-CA 3.31Å; K53-Q134 WeakPolarHBondContact O-CA 3.46Å; E106-Q134 PolarHBondContact OE1-NE2 3.15Å; E106-Q134 PolarHBondContact OE2-NE2 3.39Å; G131-Q134 VanDerWaalsContact O-CB 3.27Å; G131-Q134 WeakPolarHBondContact O-CB 3.3Å; G131-Q134 PolarHBondContact O-N 2.84Å; A132-Q134 PolarHBondContact O-N 2.97Å
135V98.3Very high96.8Very high0 Ų05.9 Ų5.90%03%0.029CC..THydrogen-bonded Turntrans-119.4-36.9-170.3-172.10000112.8I22 F31 Y97 F108 F127 A132 R133 F194I22-V135 HydrophobicContact CD1-CG1 3.72Å; F31-V135 WeakPolarHBondContact CE2-O 3.39Å; F31-V135 HydrophobicContact CZ-CG1 4.35Å; Y97-V135 WeakPolarHBondContact CE2-O 3.34Å; Y97-V135 PolarHBondContact OH-O 3.49Å; F108-V135 HydrophobicContact CB-CB 4.44Å; F108-V135 HydrophobicContact CB-CG1 4.09Å; F108-V135 HydrophobicContact CB-CG2 3.51Å; F108-V135 VanDerWaalsContact N-CG2 3.28Å; F127-V135 HydrophobicContact CD1-CG2 4.33Å; F127-V135 HydrophobicContact CE1-CB 4.15Å; F127-V135 HydrophobicContact CE1-CG2 3.33Å; F127-V135 HydrophobicContact CZ-CB 3.93Å; F127-V135 HydrophobicContact CZ-CG1 4.16Å; F127-V135 HydrophobicContact CZ-CG2 3.61Å; A132-V135 PolarHBondContact O-N 3.3Å; R133-V135 VanDerWaalsContact C-N 3.28Å; V135-F194 HydrophobicContact CG1-CE1 4.47Å; V135-F194 HydrophobicContact CG1-CZ 3.78Å
136F98.5Very high96.8Very high0 Ų05.9 Ų5.90%03%0.029CC..SBendtrans-149.9143173.653.7-84.2000110Y18 I20 Y97 F127 A132 C138 F148 V192Y18-F136 HydrophobicContact CD1-CD2 4.35Å; Y18-F136 HydrophobicContact CD1-CE2 4.3Å; Y18-F136 HydrophobicContact CE1-CE2 4.43Å; I20-F136 HydrophobicContact CD1-CD1 3.94Å; I20-F136 HydrophobicContact CD1-CD2 3.84Å; I20-F136 HydrophobicContact CD1-CE1 3.9Å; I20-F136 HydrophobicContact CD1-CE2 3.79Å; I20-F136 HydrophobicContact CD1-CG 3.94Å; I20-F136 HydrophobicContact CD1-CZ 3.83Å; Y97-F136 VanDerWaalsContact OH-CB 3.27Å; Y97-F136 WeakPolarHBondContact OH-CB 3.33Å; F127-F136 AromaticContact CE2-CE1 3.92Å; F127-F136 HydrophobicContact CE2-CE1 3.92Å; F127-F136 HydrophobicContact CZ-CE1 4.42Å; A132-F136 HydrophobicContact CB-CE1 4.31Å; A132-F136 HydrophobicContact CB-CZ 4.08Å; A132-F136 PolarHBondContact O-N 2.84Å; A132-F136 VanDerWaalsContact O-N 3.15Å; F136-C138 HydrophobicContact CD2-CB 3.62Å; F136-C138 HydrophobicContact CE2-CB 3.51Å; F136-C138 PolarHBondContact O-N 2.84Å; F136-C138 PolarHBondContact O-SG 2.89Å; F136-F148 HydrophobicContact CE2-CE1 4.17Å; F136-F148 HydrophobicContact CZ-CE1 4.21Å; F136-V192 HydrophobicContact CE1-CG1 4.25Å; F136-V192 HydrophobicContact CZ-CB 4.44Å; F136-V192 HydrophobicContact CZ-CG1 4.44Å; F136-V192 HydrophobicContact CZ-CG2 4.27Å
137P98.3Very high96.9Very high0 Ų07.7 Ų7.70%04%0.039CC..  trans-59124.2171.7-22.934.7000110.5L35 L50 N51 A52 I55 V78 V95L35-P137 HydrophobicContact CD2-CB 4.37Å; L35-P137 WeakPolarHBondContact CD2-O 3.4Å; L50-P137 HydrophobicContact CB-CB 4.43Å; L50-P137 HydrophobicContact CD1-CB 3.93Å; N51-P137 WeakPolarHBondContact O-CA 3.15Å; A52-P137 HydrophobicContact CB-CB 4.5Å; I55-P137 HydrophobicContact CD1-CG 4.49Å; I55-P137 HydrophobicContact CG2-CG 4.32Å; V78-P137 HydrophobicContact CG1-CB 4.14Å; V95-P137 HydrophobicContact CG1-CG 4.49Å
138C98.5Very high97Very high0 Ų07.7 Ų7.70%04%0.039CC..BIsolated β-bridgetrans-154.8165.9-175.953.20000113.4Y18 N51 F136 D140 T189Y18-C138 HydrophobicContact CE1-CB 3.69Å; N51-C138 WeakPolarHBondContact CB-O 3.25Å; N51-C138 PolarHBondContact N-O 3.19Å; N51-C138 PolarHBondContact O-N 3.23Å; N51-C138 VanDerWaalsContact O-N 3.1Å; F136-C138 HydrophobicContact CD2-CB 3.62Å; F136-C138 HydrophobicContact CE2-CB 3.51Å; F136-C138 PolarHBondContact O-N 2.84Å; F136-C138 PolarHBondContact O-SG 2.89Å; C138-D140 VanDerWaalsContact C-N 3.29Å; C138-D140 PolarHBondContact O-N 2.82Å; C138-D140 VanDerWaalsContact O-N 3.09Å; C138-T189 HydrophobicContact CB-CG2 4.1Å
139L97.9Very high97.2Very high2 Ų27.3 Ų7.31%0.014%0.037CC..  trans-78.483.5166.2-66.597.5000108.7L9 V13 P15 Y18 L37 L50 E141 F144L9-L139 HydrophobicContact CD1-CB 3.84Å; L9-L139 HydrophobicContact CD1-CD2 4.21Å; L9-L139 HydrophobicContact CD1-CG 4Å; V13-L139 WeakPolarHBondContact O-CD2 3.47Å; P15-L139 HydrophobicContact CB-CD1 3.99Å; P15-L139 HydrophobicContact CG-CB 4.49Å; P15-L139 HydrophobicContact CG-CD1 4Å; Y18-L139 WeakPolarHBondContact OH-CD1 3.34Å; Y18-L139 PolarHBondContact OH-N 3.23Å; Y18-L139 VanDerWaalsContact OH-N 3.11Å; L37-L139 HydrophobicContact CD2-CD1 4.34Å; L50-L139 HydrophobicContact CD2-CD1 3.41Å; L50-L139 VanDerWaalsContact CD2-CD1 3.41Å; L50-L139 HydrophobicContact CD2-CG 3.76Å; L139-E141 PolarHBondContact O-N 2.94Å; L139-F144 HydrophobicContact CB-CB 3.82Å; L139-F144 HydrophobicContact CB-CD2 3.73Å; L139-F144 HydrophobicContact CB-CE2 4.45Å; L139-F144 HydrophobicContact CB-CG 3.78Å; L139-F144 HydrophobicContact CD2-CD1 3.88Å; L139-F144 HydrophobicContact CD2-CD2 4.08Å; L139-F144 HydrophobicContact CD2-CE1 3.95Å; L139-F144 HydrophobicContact CD2-CE2 4.17Å; L139-F144 HydrophobicContact CD2-CG 3.96Å; L139-F144 HydrophobicContact CD2-CZ 4.1Å
140D97Very high97.6Very high2 Ų27.2 Ų7.21%0.0114%0.037CC..  trans-86.357.1-167.2-163.825.6000112.3N51 T130 A132 R133 C138 T189N51-D140 HydrophobicContact CB-CB 3.81Å; N51-D140 PolarHBondContact OD1-N 3.45Å; T130-D140 VanDerWaalsContact C-OD2 3.28Å; T130-D140 WeakPolarHBondContact CA-OD2 3.43Å; A132-D140 WeakPolarHBondContact CB-OD1 3.43Å; R133-D140 HydrophobicContact CB-CB 4.16Å; R133-D140 WeakPolarHBondContact CB-OD2 3.14Å; R133-D140 IonicContact CZ-OD2 3.94Å; R133-D140 PolarHBondContact N-OD2 3.1Å; R133-D140 IonicContact NE-OD2 3.87Å; R133-D140 PolarHBondContact NE-OD2 2.94Å; R133-D140 PolarHBondContact NH2-O 2.83Å; R133-D140 IonicContact NH2-OD2 2.93Å; C138-D140 VanDerWaalsContact C-N 3.29Å; C138-D140 PolarHBondContact O-N 2.82Å; C138-D140 VanDerWaalsContact O-N 3.09Å; D140-T189 PolarHBondContact OD1-OG1 2.98Å
141E96Very high97.8Very high2 Ų29.3 Ų9.31%0.0094%0.044CC..SBendtrans-133.6141.6173.4-49.8-176.2172.500109.1R8 L9 L139 E143 F144 W316R8-E141 WeakPolarHBondContact CA-OE1 3.45Å; R8-E141 IonicContact CZ-OE2 3.52Å; R8-E141 VanDerWaalsContact NE-CD 3.31Å; R8-E141 IonicContact NE-OE1 2.93Å; R8-E141 PolarHBondContact NE-OE1 2.58Å; R8-E141 IonicContact NE-OE2 3.4Å; R8-E141 PolarHBondContact NE-OE2 3.26Å; R8-E141 IonicContact NH2-OE2 3.73Å; R8-E141 PolarHBondContact NH2-OE2 3.23Å; L9-E141 HydrophobicContact CD1-CG 4.41Å; L9-E141 PolarHBondContact N-OE1 2.75Å; L139-E141 PolarHBondContact O-N 2.94Å; E141-E143 PolarHBondContact O-N 2.9Å; E141-E143 VanDerWaalsContact O-N 3.11Å; E141-F144 HydrophobicContact CB-CD2 3.81Å; E141-F144 HydrophobicContact CB-CE2 4.05Å; E141-F144 HydrophobicContact CG-CD2 4.37Å; E141-F144 HydrophobicContact CG-CE2 4.29Å; E141-F144 PolarHBondContact O-N 2.94Å; E141-F144 VanDerWaalsContact O-N 3.09Å; E141-W316 HydrophobicContact CB-CE3 4.43Å; E141-W316 HydrophobicContact CB-CZ3 3.85Å; E141-W316 HydrophobicContact CG-CZ3 3.92Å
142P97.1Very high98Very high1 Ų19.4 Ų9.41%0.0065%0.045CC..THydrogen-bonded Turntrans-63-24-16821.5-32.3000114.8F144 S188 T313 M314 W316 W317 N421P142-F144 VanDerWaalsContact C-N 3.29Å; P142-F144 PolarHBondContact O-N 3.32Å; P142-S188 PolarHBondContact O-OG 3.33Å; P142-T313 HydrophobicContact CB-CG2 3.9Å; P142-M314 HydrophobicContact CB-SD 4.44Å; P142-W316 HydrophobicContact CG-CE3 4.25Å; P142-W317 HydrophobicContact CG-CZ2 4.2Å; P142-N421 PolarHBondContact O-ND2 3.48Å
143E96.6Very high98Very high34 Ų3410.2 Ų10.216%0.1595%0.048CC..THydrogen-bonded Turntrans-66.6-26176.371178.6121.600114R8 R11 E141 K145 E315 N421R8-E143 IonicContact CZ-OE1 3.94Å; R8-E143 IonicContact NH2-OE1 2.7Å; R8-E143 PolarHBondContact NH2-OE1 3.05Å; R11-E143 IonicContact CZ-OE1 3.32Å; R11-E143 IonicContact CZ-OE2 2.86Å; R11-E143 IonicContact NE-OE1 3.3Å; R11-E143 IonicContact NE-OE2 3.71Å; R11-E143 PolarHBondContact NE-OE2 3.09Å; R11-E143 IonicContact NH2-OE1 3.17Å; R11-E143 PolarHBondContact NH2-OE1 2.78Å; R11-E143 IonicContact NH2-OE2 3.3Å; R11-E143 PolarHBondContact NH2-OE2 2.92Å; E141-E143 PolarHBondContact O-N 2.9Å; E141-E143 VanDerWaalsContact O-N 3.11Å; E143-K145 PolarHBondContact O-N 3.31Å; E143-E315 HydrophobicContact CB-CG 4.09Å; E143-N421 WeakPolarHBondContact CA-ND2 3.46Å; E143-N421 PolarHBondContact O-OD1 2.85Å
144F97.9Very high98Very high7 Ų710.1 Ų10.13%0.0315%0.048CC..  trans-85.755.6-175.4-64-65.3000112.5L9 R11 I14 P15 L139 E141 P142L9-F144 HydrophobicContact CB-CE2 4.06Å; L9-F144 HydrophobicContact CB-CZ 4.41Å; L9-F144 HydrophobicContact CD1-CE2 4.44Å; R11-F144 HydrophobicContact CG-CZ 4.42Å; I14-F144 HydrophobicContact CD1-CD1 4.28Å; I14-F144 HydrophobicContact CD1-CE1 3.95Å; P15-F144 HydrophobicContact CG-CB 3.78Å; L139-F144 HydrophobicContact CB-CB 3.82Å; L139-F144 HydrophobicContact CB-CD2 3.73Å; L139-F144 HydrophobicContact CB-CE2 4.45Å; L139-F144 HydrophobicContact CB-CG 3.78Å; L139-F144 HydrophobicContact CD2-CD1 3.88Å; L139-F144 HydrophobicContact CD2-CD2 4.08Å; L139-F144 HydrophobicContact CD2-CE1 3.95Å; L139-F144 HydrophobicContact CD2-CE2 4.17Å; L139-F144 HydrophobicContact CD2-CG 3.96Å; L139-F144 HydrophobicContact CD2-CZ 4.1Å; E141-F144 HydrophobicContact CB-CD2 3.81Å; E141-F144 HydrophobicContact CB-CE2 4.05Å; E141-F144 HydrophobicContact CG-CD2 4.37Å; E141-F144 HydrophobicContact CG-CE2 4.29Å; E141-F144 PolarHBondContact O-N 2.94Å; E141-F144 VanDerWaalsContact O-N 3.09Å; P142-F144 VanDerWaalsContact C-N 3.29Å; P142-F144 PolarHBondContact O-N 3.32Å
145K98.6Very high98Very high2 Ų211.5 Ų11.51%0.0096%0.058CC..  trans-62.6140.7179-61.2-169.3169.2-168.50112E143 K186 M187 S188 N310 L311 T313 A420E143-K145 PolarHBondContact O-N 3.31Å; K145-K186 HydrophobicContact CB-CD 4.15Å; K145-K186 HydrophobicContact CB-CG 3.66Å; K145-K186 WeakPolarHBondContact O-CE 3.42Å; K145-M187 CarbonylContact C-O 3.15Å; K145-M187 WeakPolarHBondContact CA-O 3.27Å; K145-M187 WeakPolarHBondContact CB-O 3.31Å; K145-S188 WeakPolarHBondContact CG-OG 3.27Å; K145-N310 PolarHBondContact NZ-O 2.62Å; K145-L311 PolarHBondContact NZ-O 2.95Å; K145-T313 VanDerWaalsContact CE-CB 3.47Å; K145-T313 WeakPolarHBondContact CE-OG1 3.47Å; K145-T313 PolarHBondContact NZ-OG1 2.86Å; K145-A420 VanDerWaalsContact CE-O 3.3Å; K145-A420 WeakPolarHBondContact CE-O 3.26Å; K145-A420 PolarHBondContact NZ-O 2.92Å
146S98.7Very high97.8Very high0 Ų016.7 Ų16.70%08%0.081CC..BIsolated β-bridgetrans-148169.5-175.6-166.90000111.8I16 R17 Y18 F148 K186 M187I16-S146 PolarHBondContact O-OG 3.42Å; I16-S146 VanDerWaalsContact O-OG 3.06Å; R17-S146 WeakPolarHBondContact CA-OG 3.26Å; R17-S146 PolarHBondContact N-OG 3Å; Y18-S146 VanDerWaalsContact CD2-OG 3.26Å; Y18-S146 WeakPolarHBondContact CD2-OG 3.33Å; Y18-S146 VanDerWaalsContact CE2-CB 3.48Å; Y18-S146 WeakPolarHBondContact CE2-OG 3.38Å; S146-F148 WeakPolarHBondContact O-CD2 3.42Å; S146-F148 WeakPolarHBondContact O-CE2 3.34Å; S146-K186 WeakPolarHBondContact O-CA 3.42Å; S146-M187 PolarHBondContact N-O 2.89Å; S146-M187 PolarHBondContact O-N 2.79Å
147I98.9Very high97.5Very high56 Ų5619.8 Ų19.829%0.28711%0.113SC..EExtended strand (participates in β ladder)trans-88139.4169.7-66167.7000108.7I16 R17 Y18 D183 T184I16-I147 PolarHBondContact O-N 2.74Å; R17-I147 CarbonylContact C-O 3.56Å; R17-I147 WeakPolarHBondContact CA-O 3.31Å; R17-I147 HydrophobicContact CG-CB 4.47Å; R17-I147 HydrophobicContact CG-CG2 4.41Å; Y18-I147 PolarHBondContact N-O 2.87Å; I147-D183 HydrophobicContact CG2-CB 4.01Å; I147-T184 WeakPolarHBondContact CG2-O 3.37Å
148F98.9Very high97.4Very high0 Ų022 Ų220%012%0.122CC..EExtended strand (participates in β ladder)trans-120.5128.3178.2-60.2-94.1000111.1Y18 I20 F136 S146 I150 T184 M187 T189 V192Y18-F148 HydrophobicContact CD1-CE1 4.44Å; Y18-F148 AromaticContact CD2-CD1 3.91Å; Y18-F148 HydrophobicContact CD2-CD1 3.91Å; Y18-F148 AromaticContact CD2-CE1 3.38Å; Y18-F148 HydrophobicContact CD2-CE1 3.38Å; Y18-F148 AromaticContact CD2-CZ 3.81Å; Y18-F148 HydrophobicContact CD2-CZ 3.81Å; Y18-F148 AromaticContact CE2-CE1 3.97Å; Y18-F148 HydrophobicContact CE2-CE1 3.97Å; Y18-F148 HydrophobicContact CE2-CZ 4.1Å; Y18-F148 AromaticContact CG-CD1 3.94Å; Y18-F148 HydrophobicContact CG-CD1 3.94Å; Y18-F148 AromaticContact CG-CE1 3.69Å; Y18-F148 HydrophobicContact CG-CE1 3.69Å; Y18-F148 WeakPolarHBondContact O-CA 3.45Å; I20-F148 HydrophobicContact CD1-CD1 3.9Å; I20-F148 HydrophobicContact CD1-CE1 4.48Å; F136-F148 HydrophobicContact CE2-CE1 4.17Å; F136-F148 HydrophobicContact CZ-CE1 4.21Å; S146-F148 WeakPolarHBondContact O-CD2 3.42Å; S146-F148 WeakPolarHBondContact O-CE2 3.34Å; F148-I150 HydrophobicContact CB-CG1 4.5Å; F148-T184 HydrophobicContact CB-CG2 3.97Å; F148-T184 PolarHBondContact N-OG1 2.86Å; F148-T184 PolarHBondContact O-N 2.97Å; F148-M187 HydrophobicContact CD2-CE 3.68Å; F148-M187 HydrophobicContact CD2-CG 3.84Å; F148-M187 HydrophobicContact CE2-CE 4.2Å; F148-M187 HydrophobicContact CE2-CG 3.81Å; F148-M187 WeakPolarHBondContact CE2-O 3.43Å; F148-M187 HydrophobicContact CG-CE 4.26Å; F148-T189 HydrophobicContact CE1-CG2 4.4Å; F148-T189 HydrophobicContact CZ-CG2 4Å; F148-V192 HydrophobicContact CD1-CG2 3.49Å; F148-V192 VanDerWaalsContact CD1-CG2 3.49Å; F148-V192 HydrophobicContact CD2-CG2 3.89Å; F148-V192 HydrophobicContact CE1-CG2 3.5Å; F148-V192 VanDerWaalsContact CE1-CG2 3.5Å; F148-V192 HydrophobicContact CE2-CG2 3.88Å; F148-V192 HydrophobicContact CG-CG2 3.7Å; F148-V192 HydrophobicContact CZ-CG2 3.69Å
149D98.8Very high97.3Very high12 Ų1224.1 Ų24.16%0.06414%0.135CC..EExtended strand (participates in β ladder)trans-111.6121.9169177.4-23.3000107.6R17 Y18 E19 I20 H180R17-D149 VanDerWaalsContact NH2-CB 3.32Å; R17-D149 IonicContact NH2-OD2 3.05Å; R17-D149 PolarHBondContact NH2-OD2 3.41Å; Y18-D149 PolarHBondContact O-N 2.99Å; E19-D149 HydrophobicContact CG-CB 4.18Å; I20-D149 PolarHBondContact N-O 2.87Å; D149-H180 IonicContact OD1-CD2 3.39Å; D149-H180 PolarHBondContact OD1-CD2 3.3Å; D149-H180 VanDerWaalsContact OD1-CD2 3.23Å; D149-H180 IonicContact OD1-CE1 3.82Å; D149-H180 IonicContact OD1-NE2 3.5Å; D149-H180 PolarHBondContact OD1-NE2 2.9Å; D149-H180 IonicContact OD2-NE2 3.22Å; D149-H180 PolarHBondContact OD2-NE2 3.45Å
150I98.9Very high97.4Very high3 Ų324.3 Ų24.32%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-120.6128.5-170.2-60.8168.6000110.1I20 F148 L152 S162 F181 V192 F194I20-I150 WeakPolarHBondContact O-CA 3.28Å; F148-I150 HydrophobicContact CB-CG1 4.5Å; I150-L152 HydrophobicContact CG2-CD2 4.23Å; I150-L152 HydrophobicContact CG2-CG 4.18Å; I150-S162 WeakPolarHBondContact CD1-OG 3.48Å; I150-F181 HydrophobicContact CB-CD2 4.25Å; I150-F181 HydrophobicContact CG2-CD2 4.12Å; I150-F181 WeakPolarHBondContact O-CD2 3.47Å; I150-F181 PolarHBondContact O-N 3.08Å; I150-V192 HydrophobicContact CD1-CG1 3.86Å; I150-F194 HydrophobicContact CG2-CD1 4.33Å
151K98.8Very high97.4Very high59 Ų5924.5 Ų24.526%0.25714%0.138SC..EExtended strand (participates in β ladder)trans-124.2128.9173.6-68.6174.2-171162.50110.7I20 E21 I22 F179 H180I20-K151 PolarHBondContact O-N 3.46Å; E21-K151 CarbonylContact C-O 3.52Å; E21-K151 WeakPolarHBondContact CA-O 3.29Å; E21-K151 HydrophobicContact CB-CB 4.28Å; E21-K151 HydrophobicContact CG-CB 4.06Å; I22-K151 PolarHBondContact N-O 2.86Å; K151-F179 CarbonylContact C-O 3.57Å; K151-F179 WeakPolarHBondContact CA-O 3.18Å; K151-H180 VanDerWaalsContact CE-CE1 3.42Å; K151-H180 WeakPolarHBondContact CE-CE1 2.91Å; K151-H180 VanDerWaalsContact CE-NE2 3.33Å; K151-H180 WeakPolarHBondContact CE-NE2 3.4Å; K151-H180 HydrophobicContact CG-CB 4.04Å; K151-H180 VanDerWaalsContact CG-CD2 3.44Å; K151-H180 WeakPolarHBondContact CG-CD2 3.36Å
152L98.7Very high97.6Very high1 Ų124.5 Ų24.51%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-120.8123.4179.5-59.4177.6000110.7I22 I150 I154 A160 V178 F179 F181 F194 V196I22-L152 HydrophobicContact CB-CD2 3.93Å; I22-L152 WeakPolarHBondContact O-CA 3.46Å; I150-L152 HydrophobicContact CG2-CD2 4.23Å; I150-L152 HydrophobicContact CG2-CG 4.18Å; L152-I154 HydrophobicContact CB-CG2 3.94Å; L152-A160 HydrophobicContact CB-CB 4.41Å; L152-A160 HydrophobicContact CD1-CB 3.9Å; L152-V178 WeakPolarHBondContact O-CA 3.44Å; L152-F179 PolarHBondContact N-O 2.88Å; L152-F179 PolarHBondContact O-N 2.94Å; L152-F181 HydrophobicContact CD1-CE2 3.88Å; L152-F181 HydrophobicContact CG-CE2 4.2Å; L152-F194 HydrophobicContact CD1-CB 3.76Å; L152-F194 HydrophobicContact CD1-CD2 4.16Å; L152-F194 HydrophobicContact CD1-CG 4.08Å; L152-F194 HydrophobicContact CD2-CD2 4.08Å; L152-F194 HydrophobicContact CD2-CE2 4.31Å; L152-F194 HydrophobicContact CD2-CG 4.26Å; L152-V196 HydrophobicContact CD1-CG2 4.12Å
153H98.3Very high97.7Very high17 Ų1724.5 Ų24.58%0.07914%0.138CC..EExtended strand (participates in β ladder)trans-98.294.2178.7-69.6-124000108.6E21 I22 K23 P24 I176 V178E21-H153 VanDerWaalsContact CD-NE2 3.27Å; E21-H153 VanDerWaalsContact CG-NE2 3.3Å; E21-H153 WeakPolarHBondContact CG-NE2 3.43Å; E21-H153 IonicContact OE1-CD2 3.34Å; E21-H153 IonicContact OE1-CE1 3.77Å; E21-H153 PolarHBondContact OE1-CE1 2.84Å; E21-H153 IonicContact OE1-ND1 3.6Å; E21-H153 IonicContact OE1-NE2 3.79Å; E21-H153 PolarHBondContact OE1-NE2 2.86Å; I22-H153 PolarHBondContact O-N 3.36Å; K23-H153 HydrophobicContact CB-CB 3.85Å; K23-H153 HydrophobicContact CD-CB 4.35Å; K23-H153 HydrophobicContact CG-CB 3.84Å; P24-H153 WeakPolarHBondContact CD-O 3.09Å; H153-I176 HydrophobicContact CB-CG2 3.96Å; H153-V178 VanDerWaalsContact CE1-CG2 3.41Å; H153-V178 WeakPolarHBondContact CE1-CG2 3.46Å; H153-V178 WeakPolarHBondContact ND1-CG2 2.88Å
154I97.4Very high97.8Very high0 Ų023.6 Ų23.60%013%0.134CC..EExtended strand (participates in β ladder)trans-115.5155.9-168.769.1166.2000112.2P24 L152 K158 A160 I176 V177 F179 V196P24-I154 HydrophobicContact CG-CG2 4.37Å; L152-I154 HydrophobicContact CB-CG2 3.94Å; I154-K158 HydrophobicContact CD1-CB 3.89Å; I154-A160 HydrophobicContact CD1-CB 3.72Å; I154-A160 HydrophobicContact CG2-CB 4.44Å; I154-I176 WeakPolarHBondContact O-CA 3.31Å; I154-V177 PolarHBondContact N-O 2.95Å; I154-V177 PolarHBondContact O-N 3.25Å; I154-F179 HydrophobicContact CD1-CD2 3.75Å; I154-F179 HydrophobicContact CD1-CE2 3.44Å; I154-F179 VanDerWaalsContact CD1-CE2 3.44Å; I154-F179 HydrophobicContact CD1-CZ 3.95Å; I154-F179 HydrophobicContact CG1-CD2 3.75Å; I154-F179 HydrophobicContact CG1-CE2 3.69Å; I154-V196 HydrophobicContact CB-CG1 3.9Å; I154-V196 HydrophobicContact CD1-CG1 4.02Å; I154-V196 HydrophobicContact CG2-CB 4.35Å; I154-V196 HydrophobicContact CG2-CG1 3.57Å; I154-V196 HydrophobicContact CG2-CG2 3.78Å
155P95.5Very high97.8Very high43 Ų4324.7 Ų24.728%0.27914%0.142SC..EExtended strand (participates in β ladder)trans-57.6142.6174.3-24.634.6000112.9F26 G157 K158 N175F26-P155 HydrophobicContact CD2-CG 4.22Å; P155-G157 PolarHBondContact O-N 3.31Å; P155-K158 HydrophobicContact CB-CG 4.18Å; P155-K158 WeakPolarHBondContact O-CB 3.26Å; P155-K158 PolarHBondContact O-N 3.06Å; P155-N175 CarbonylContact C-O 3.59Å; P155-N175 WeakPolarHBondContact CA-O 3.19Å
156K95Very high97.8Very high109 Ų10928.2 Ų28.247%0.47416%0.161SC..THydrogen-bonded Turntrans-55.9136.7174.1-166169.1-168.9157.90110.2K158 E171 N175 V177K156-K158 VanDerWaalsContact C-N 3.35Å; K156-E171 VanDerWaalsContact CE-OE1 3.25Å; K156-E171 WeakPolarHBondContact CE-OE1 3.43Å; K156-E171 VanDerWaalsContact NZ-CD 3.29Å; K156-E171 IonicContact NZ-OE1 3.73Å; K156-E171 PolarHBondContact NZ-OE1 3.11Å; K156-E171 IonicContact NZ-OE2 3.67Å; K156-E171 PolarHBondContact NZ-OE2 2.77Å; K156-N175 PolarHBondContact N-O 2.91Å; K156-V177 HydrophobicContact CB-CG2 4.23Å; K156-V177 HydrophobicContact CG-CG2 4.16Å
157G92.6Very high97.8Very high65 Ų6533 Ų3367%0.6719%0.186SC*.THydrogen-bonded Turntrans90.4-16.3-177.400000115.2P155P155-G157 PolarHBondContact O-N 3.31Å
158K95.4Very high97.7Very high46 Ų4632.5 Ų32.520%0.219%0.187CC..  trans-80.4159.2169.8-62.9-70.1178-151.70111.2I154 P155 K156 V196 D198I154-K158 HydrophobicContact CD1-CB 3.89Å; P155-K158 HydrophobicContact CB-CG 4.18Å; P155-K158 WeakPolarHBondContact O-CB 3.26Å; P155-K158 PolarHBondContact O-N 3.06Å; K156-K158 VanDerWaalsContact C-N 3.35Å; K158-V196 HydrophobicContact CB-CG1 4.26Å; K158-D198 WeakPolarHBondContact CD-OD1 3.17Å; K158-D198 IonicContact NZ-OD1 2.79Å; K158-D198 PolarHBondContact NZ-OD1 3.44Å; K158-D198 IonicContact NZ-OD2 3.58Å; K158-D198 PolarHBondContact NZ-OD2 3.04Å
159T97.2Very high97.6Very high45 Ų4538.7 Ų38.728%0.27621%0.214SC..EExtended strand (participates in β ladder)trans-108.4138.7172.3-60.80000109.3I161 V196 G197 L199T159-I161 HydrophobicContact CG2-CG2 4.28Å; T159-V196 WeakPolarHBondContact O-CA 3.36Å; T159-G197 PolarHBondContact N-O 3.46Å; T159-G197 PolarHBondContact O-N 2.86Å; T159-L199 HydrophobicContact CG2-CB 4.39Å
160A98.4Very high97.5Very high6 Ų642.1 Ų42.15%0.0524%0.236CC..EExtended strand (participates in β ladder)trans-115.7138.7167.200000110.4L152 I154 F179 F181 A195 V196L152-A160 HydrophobicContact CB-CB 4.41Å; L152-A160 HydrophobicContact CD1-CB 3.9Å; I154-A160 HydrophobicContact CD1-CB 3.72Å; I154-A160 HydrophobicContact CG2-CB 4.44Å; A160-F179 HydrophobicContact CB-CB 4.03Å; A160-F179 HydrophobicContact CB-CD1 3.83Å; A160-F179 HydrophobicContact CB-CD2 4.32Å; A160-F179 HydrophobicContact CB-CE1 4.33Å; A160-F179 HydrophobicContact CB-CG 3.83Å; A160-F181 HydrophobicContact CB-CZ 4.1Å; A160-A195 WeakPolarHBondContact CA-O 3.45Å; A160-V196 HydrophobicContact CB-CG2 4.29Å
161I98.7Very high97.3Very high7 Ų748 Ų484%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-131.2153.8171.759.5180000109.5T159 F194 A195 L199 Y215 L257 L272T159-I161 HydrophobicContact CG2-CG2 4.28Å; I161-F194 CarbonylContact O-C 3.59Å; I161-F194 WeakPolarHBondContact O-CA 3.31Å; I161-F194 WeakPolarHBondContact O-CB 3.47Å; I161-A195 HydrophobicContact CD1-CB 4.46Å; I161-A195 HydrophobicContact CG1-CB 4.01Å; I161-A195 PolarHBondContact N-O 3.23Å; I161-A195 PolarHBondContact O-N 3.03Å; I161-L199 HydrophobicContact CD1-CD1 3.92Å; I161-L199 HydrophobicContact CG1-CD1 4.21Å; I161-Y215 HydrophobicContact CD1-CD1 4.19Å; I161-Y215 HydrophobicContact CD1-CD2 4.14Å; I161-Y215 HydrophobicContact CD1-CG 3.96Å; I161-Y215 HydrophobicContact CG2-CD1 4.44Å; I161-Y215 HydrophobicContact CG2-CE1 3.88Å; I161-Y215 HydrophobicContact CG2-CE2 4.4Å; I161-L257 HydrophobicContact CD1-CB 4.5Å; I161-L257 HydrophobicContact CD1-CD1 4.33Å; I161-L257 HydrophobicContact CD1-CD2 4.3Å; I161-L272 HydrophobicContact CD1-CD1 3.58Å; I161-L272 HydrophobicContact CD1-CD2 4.38Å; I161-L272 HydrophobicContact CG1-CD1 4.08Å; I161-L272 HydrophobicContact CG1-CD2 3.99Å
162S98.9Very high96.9Very high1 Ų150.7 Ų50.71%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-150.8-174.8179.4-172.40000110.4I150 M164 A193 K253I150-S162 WeakPolarHBondContact CD1-OG 3.48Å; S162-M164 VanDerWaalsContact C-N 3.28Å; S162-M164 PolarHBondContact O-N 3.09Å; S162-A193 VanDerWaalsContact CA-O 3.24Å; S162-A193 WeakPolarHBondContact CA-O 3.32Å; S162-A193 WeakPolarHBondContact CB-O 3.02Å; S162-A193 PolarHBondContact OG-O 3.04Å; S162-K253 PolarHBondContact O-NZ 3.03Å
163N98.9Very high96.6Very high1 Ų153.7 Ų53.71%0.00529%0.292CS..SBendtrans-50.3-45.9179.4-6397.8000113.1T184 L191 A193 K253 W270N163-T184 HydrophobicContact CB-CG2 4.08Å; N163-L191 PolarHBondContact ND2-O 3.19Å; N163-A193 PolarHBondContact N-O 2.9Å; N163-A193 PolarHBondContact OD1-N 2.97Å; N163-A193 PolarHBondContact OD1-O 2.9Å; N163-K253 WeakPolarHBondContact O-CE 3.4Å; N163-K253 PolarHBondContact O-NZ 3.36Å; N163-W270 VanDerWaalsContact CA-O 3.32Å; N163-W270 WeakPolarHBondContact CA-O 3.45Å; N163-W270 WeakPolarHBondContact CB-O 3.32Å; N163-W270 PolarHBondContact ND2-N 2.96Å; N163-W270 PolarHBondContact ND2-O 3.16Å
164M98.8Very high96.2Very high15 Ų1561.1 Ų61.17%0.07433%0.327CS..SBendtrans-104.9162.8-172.4-64.3-56.7-6600112.6S162 F181 Q182 D183 T184 L251S162-M164 VanDerWaalsContact C-N 3.28Å; S162-M164 PolarHBondContact O-N 3.09Å; M164-F181 VanDerWaalsContact O-CD1 3.3Å; M164-F181 WeakPolarHBondContact O-CD1 3.4Å; M164-Q182 HydrophobicContact CB-CB 4.07Å; M164-Q182 WeakPolarHBondContact CB-O 3.11Å; M164-Q182 VanDerWaalsContact CG-O 3.29Å; M164-Q182 WeakPolarHBondContact CG-O 3.31Å; M164-D183 WeakPolarHBondContact CE-O 3.35Å; M164-T184 HydrophobicContact CG-CG2 3.68Å; M164-T184 HydrophobicContact SD-CG2 4.47Å; M164-L251 HydrophobicContact CE-CD2 4.19Å; M164-L251 HydrophobicContact SD-CD1 4.01Å; M164-L251 HydrophobicContact SD-CD2 3.86Å; M164-L251 HydrophobicContact SD-CG 4.48Å
165P98.6Very high96.1Very high31 Ų3166.6 Ų66.620%0.20136%0.356CS..  trans-58.3155171.7-20.331.1000112.6L167 F181 Q182 P252 K253P165-L167 PolarHBondContact O-N 3.42Å; P165-F181 WeakPolarHBondContact O-CA 3.48Å; P165-Q182 PolarHBondContact O-N 3.37Å; P165-P252 HydrophobicContact CG-CB 4.45Å; P165-P252 HydrophobicContact CG-CG 3.4Å; P165-K253 HydrophobicContact CG-CG 3.89Å
166L98.2Very high96.2Very high76 Ų7665.6 Ų65.640%0.39835%0.348SS..EExtended strand (participates in β ladder)trans-64.6122.2172.7-168.565.8000109.9S168 K169 F179 F181L166-S168 WeakPolarHBondContact CD1-O 3.45Å; L166-K169 HydrophobicContact CD2-CB 4.14Å; L166-F179 HydrophobicContact CD1-CB 3.87Å; L166-F179 HydrophobicContact CD1-CD1 3.65Å; L166-F179 HydrophobicContact CD1-CG 4.13Å; L166-F179 HydrophobicContact CD2-CD1 4.17Å; L166-F179 HydrophobicContact CD2-CE1 4.44Å; L166-F181 HydrophobicContact CD1-CD1 4.23Å; L166-F181 HydrophobicContact CD1-CE1 4.03Å; L166-F181 HydrophobicContact CD1-CZ 4.4Å
167L98.1Very high96.3Very high100 Ų10060.8 Ų60.852%0.52433%0.328SS..EExtended strand (participates in β ladder)trans-82.2-47.2173.1179.963.2000110.6P165 H180 Q182P165-L167 PolarHBondContact O-N 3.42Å; L167-H180 WeakPolarHBondContact CA-O 3.37Å; L167-H180 VanDerWaalsContact CB-O 3.31Å; L167-H180 WeakPolarHBondContact CB-O 3.46Å; L167-H180 PolarHBondContact N-O 3.11Å; L167-Q182 HydrophobicContact CB-CG 3.9Å; L167-Q182 HydrophobicContact CD1-CG 4.11Å
168S98Very high96.6Very high46 Ų4658.7 Ų58.732%0.32230%0.302SS..EExtended strand (participates in β ladder)trans-153.3157.1177.270.60000112.9L166 H180L166-S168 WeakPolarHBondContact CD1-O 3.45Å; S168-H180 PolarHBondContact N-O 2.96Å; S168-H180 PolarHBondContact O-N 2.84Å
169K96.8Very high96.7Very high130 Ų13057 Ų5757%0.56529%0.294SS*.EExtended strand (participates in β ladder)trans-132.2116.3174.6-177.1179.8177.1178.10108.6L166 V177 V178 F179L166-K169 HydrophobicContact CD2-CB 4.14Å; K169-V177 HydrophobicContact CD-CG1 4.19Å; K169-V177 HydrophobicContact CG-CG1 3.48Å; K169-V177 VanDerWaalsContact CG-CG1 3.48Å; K169-V178 WeakPolarHBondContact CA-O 3.2Å; K169-F179 HydrophobicContact CD-CE1 4.12Å; K169-F179 HydrophobicContact CD-CE2 4.19Å; K169-F179 HydrophobicContact CD-CZ 3.81Å; K169-F179 VanDerWaalsContact CE-CZ 3.47Å; K169-F179 HydrophobicContact CG-CD2 4.43Å; K169-F179 HydrophobicContact CG-CE2 4.17Å; K169-F179 HydrophobicContact CG-CZ 4.25Å
170V96.9Very high96.8Very high84 Ų8456.3 Ų56.351%0.50929%0.288SS..EExtended strand (participates in β ladder)trans-126.7129.9-174.2-174.80000109.8H172 V178V170-H172 PolarHBondContact O-N 3.09Å; V170-V178 PolarHBondContact N-O 3.05Å; V170-V178 PolarHBondContact O-N 3.31Å
171E94.4Very high96.8Very high125 Ų12556.3 Ų56.358%0.58429%0.287SS*.EExtended strand (participates in β ladder)trans-69117.3168.7-60.9-162.1162.700108.5K156 V177K156-E171 VanDerWaalsContact CE-OE1 3.25Å; K156-E171 WeakPolarHBondContact CE-OE1 3.43Å; K156-E171 VanDerWaalsContact NZ-CD 3.29Å; K156-E171 IonicContact NZ-OE1 3.73Å; K156-E171 PolarHBondContact NZ-OE1 3.11Å; K156-E171 IonicContact NZ-OE2 3.67Å; K156-E171 PolarHBondContact NZ-OE2 2.77Å; E171-V177 HydrophobicContact CG-CG2 4.48Å
172H90.9Very high96.8Very high117 Ų11759.5 Ų59.554%0.54230%0.302SS..  trans-88.4-40.2-179.1175.2-87.6000111.4V170 I176 V178V170-H172 PolarHBondContact O-N 3.09Å; H172-I176 HydrophobicContact CB-CB 4.5Å; H172-I176 HydrophobicContact CB-CG2 4.27Å; H172-I176 PolarHBondContact N-O 2.54Å; H172-V178 HydrophobicContact CB-CG2 3.8Å
173D92.4Very high96.8Very high64 Ų6462.9 Ų62.934%0.34232%0.32SS..SBendtrans-153.9-173.4174.458.760.9000110.3N175 I176D173-N175 PolarHBondContact O-N 3.2Å; D173-N175 VanDerWaalsContact O-N 3.1Å; D173-N175 WeakPolarHBondContact OD1-CA 3.27Å; D173-N175 PolarHBondContact OD1-N 2.9Å; D173-I176 PolarHBondContact N-O 2.73Å; D173-I176 PolarHBondContact OD1-N 3.5Å
174E89.9Confident96.8Very high173 Ų17363.2 Ų63.281%0.80832%0.322SS*.SBendtrans-57.8-24.5-178.1-65.8-175.2170.100113.7
175N94.5Very high96.8Very high114 Ų11463.9 Ų63.961%0.6133%0.328SS*.SBendtrans-116.7-21.3-172.6-64-55.2000113.9P155 K156 D173P155-N175 CarbonylContact C-O 3.59Å; P155-N175 WeakPolarHBondContact CA-O 3.19Å; K156-N175 PolarHBondContact N-O 2.91Å; D173-N175 PolarHBondContact O-N 3.2Å; D173-N175 VanDerWaalsContact O-N 3.1Å; D173-N175 WeakPolarHBondContact OD1-CA 3.27Å; D173-N175 PolarHBondContact OD1-N 2.9Å
176I97.1Very high96.8Very high23 Ų2367.2 Ų67.212%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-115.9136.4-172.2-60-63.5000112H153 I154 H172 D173H153-I176 HydrophobicContact CB-CG2 3.96Å; I154-I176 WeakPolarHBondContact O-CA 3.31Å; H172-I176 HydrophobicContact CB-CB 4.5Å; H172-I176 HydrophobicContact CB-CG2 4.27Å; H172-I176 PolarHBondContact N-O 2.54Å; D173-I176 PolarHBondContact N-O 2.73Å; D173-I176 PolarHBondContact OD1-N 3.5Å
177V97.9Very high96.8Very high7 Ų763.6 Ų63.64%0.04232%0.32CS..EExtended strand (participates in β ladder)trans-118.8133.8169.8-174.50000109I154 K156 K169 E171 F179I154-V177 PolarHBondContact N-O 2.95Å; I154-V177 PolarHBondContact O-N 3.25Å; K156-V177 HydrophobicContact CB-CG2 4.23Å; K156-V177 HydrophobicContact CG-CG2 4.16Å; K169-V177 HydrophobicContact CD-CG1 4.19Å; K169-V177 HydrophobicContact CG-CG1 3.48Å; K169-V177 VanDerWaalsContact CG-CG1 3.48Å; E171-V177 HydrophobicContact CG-CG2 4.48Å; V177-F179 HydrophobicContact CB-CD2 4.46Å; V177-F179 HydrophobicContact CB-CE2 4.04Å; V177-F179 HydrophobicContact CG1-CD2 4.02Å; V177-F179 HydrophobicContact CG1-CE2 3.67Å
178V98.3Very high96.9Very high21 Ų2158.9 Ų58.913%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-96.6122.4177.4-177.90000109L152 H153 K169 V170 H172L152-V178 WeakPolarHBondContact O-CA 3.44Å; H153-V178 VanDerWaalsContact CE1-CG2 3.41Å; H153-V178 WeakPolarHBondContact CE1-CG2 3.46Å; H153-V178 WeakPolarHBondContact ND1-CG2 2.88Å; K169-V178 WeakPolarHBondContact CA-O 3.2Å; V170-V178 PolarHBondContact N-O 3.05Å; V170-V178 PolarHBondContact O-N 3.31Å; H172-V178 HydrophobicContact CB-CG2 3.8Å
179F98.7Very high96.9Very high10 Ų1056.7 Ų56.74%0.04428%0.28CS..EExtended strand (participates in β ladder)trans-102.6117.3172.5-75.2-119.1000107.6K151 L152 I154 A160 L166 K169 V177 F181K151-F179 CarbonylContact C-O 3.57Å; K151-F179 WeakPolarHBondContact CA-O 3.18Å; L152-F179 PolarHBondContact N-O 2.88Å; L152-F179 PolarHBondContact O-N 2.94Å; I154-F179 HydrophobicContact CD1-CD2 3.75Å; I154-F179 HydrophobicContact CD1-CE2 3.44Å; I154-F179 VanDerWaalsContact CD1-CE2 3.44Å; I154-F179 HydrophobicContact CD1-CZ 3.95Å; I154-F179 HydrophobicContact CG1-CD2 3.75Å; I154-F179 HydrophobicContact CG1-CE2 3.69Å; A160-F179 HydrophobicContact CB-CB 4.03Å; A160-F179 HydrophobicContact CB-CD1 3.83Å; A160-F179 HydrophobicContact CB-CD2 4.32Å; A160-F179 HydrophobicContact CB-CE1 4.33Å; A160-F179 HydrophobicContact CB-CG 3.83Å; L166-F179 HydrophobicContact CD1-CB 3.87Å; L166-F179 HydrophobicContact CD1-CD1 3.65Å; L166-F179 HydrophobicContact CD1-CG 4.13Å; L166-F179 HydrophobicContact CD2-CD1 4.17Å; L166-F179 HydrophobicContact CD2-CE1 4.44Å; K169-F179 HydrophobicContact CD-CE1 4.12Å; K169-F179 HydrophobicContact CD-CE2 4.19Å; K169-F179 HydrophobicContact CD-CZ 3.81Å; K169-F179 VanDerWaalsContact CE-CZ 3.47Å; K169-F179 HydrophobicContact CG-CD2 4.43Å; K169-F179 HydrophobicContact CG-CE2 4.17Å; K169-F179 HydrophobicContact CG-CZ 4.25Å; V177-F179 HydrophobicContact CB-CD2 4.46Å; V177-F179 HydrophobicContact CB-CE2 4.04Å; V177-F179 HydrophobicContact CG1-CD2 4.02Å; V177-F179 HydrophobicContact CG1-CE2 3.67Å; F179-F181 HydrophobicContact CB-CE2 4.16Å; F179-F181 HydrophobicContact CB-CZ 4.22Å
180H98.7Very high97Very high32 Ų3250.6 Ų50.615%0.14825%0.253CS..EExtended strand (participates in β ladder)trans-111.1122.1176.9-176.8-166.2000108.6D149 K151 L167 S168D149-H180 IonicContact OD1-CD2 3.39Å; D149-H180 PolarHBondContact OD1-CD2 3.3Å; D149-H180 VanDerWaalsContact OD1-CD2 3.23Å; D149-H180 IonicContact OD1-CE1 3.82Å; D149-H180 IonicContact OD1-NE2 3.5Å; D149-H180 PolarHBondContact OD1-NE2 2.9Å; D149-H180 IonicContact OD2-NE2 3.22Å; D149-H180 PolarHBondContact OD2-NE2 3.45Å; K151-H180 VanDerWaalsContact CE-CE1 3.42Å; K151-H180 WeakPolarHBondContact CE-CE1 2.91Å; K151-H180 VanDerWaalsContact CE-NE2 3.33Å; K151-H180 WeakPolarHBondContact CE-NE2 3.4Å; K151-H180 HydrophobicContact CG-CB 4.04Å; K151-H180 VanDerWaalsContact CG-CD2 3.44Å; K151-H180 WeakPolarHBondContact CG-CD2 3.36Å; L167-H180 WeakPolarHBondContact CA-O 3.37Å; L167-H180 VanDerWaalsContact CB-O 3.31Å; L167-H180 WeakPolarHBondContact CB-O 3.46Å; L167-H180 PolarHBondContact N-O 3.11Å; S168-H180 PolarHBondContact N-O 2.96Å; S168-H180 PolarHBondContact O-N 2.84Å
181F98.9Very high97Very high5 Ų546.6 Ų46.62%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-93.8158.6179.8-59.9-83.1000111.3I150 L152 A160 M164 P165 L166 F179I150-F181 HydrophobicContact CB-CD2 4.25Å; I150-F181 HydrophobicContact CG2-CD2 4.12Å; I150-F181 WeakPolarHBondContact O-CD2 3.47Å; I150-F181 PolarHBondContact O-N 3.08Å; L152-F181 HydrophobicContact CD1-CE2 3.88Å; L152-F181 HydrophobicContact CG-CE2 4.2Å; A160-F181 HydrophobicContact CB-CZ 4.1Å; M164-F181 VanDerWaalsContact O-CD1 3.3Å; M164-F181 WeakPolarHBondContact O-CD1 3.4Å; P165-F181 WeakPolarHBondContact O-CA 3.48Å; L166-F181 HydrophobicContact CD1-CD1 4.23Å; L166-F181 HydrophobicContact CD1-CE1 4.03Å; L166-F181 HydrophobicContact CD1-CZ 4.4Å; F179-F181 HydrophobicContact CB-CE2 4.16Å; F179-F181 HydrophobicContact CB-CZ 4.22Å
182Q98.7Very high97.3Very high75 Ų7540.6 Ų40.635%0.3520%0.201SC..PPolyproline II helixtrans-66.8159.8173.1-63175.91.400111.3M164 P165 L167M164-Q182 HydrophobicContact CB-CB 4.07Å; M164-Q182 WeakPolarHBondContact CB-O 3.11Å; M164-Q182 VanDerWaalsContact CG-O 3.29Å; M164-Q182 WeakPolarHBondContact CG-O 3.31Å; P165-Q182 PolarHBondContact O-N 3.37Å; L167-Q182 HydrophobicContact CB-CG 3.9Å; L167-Q182 HydrophobicContact CD1-CG 4.11Å
183D98.7Very high97.6Very high72 Ų7235 Ų3539%0.38518%0.175SC..PPolyproline II helixtrans-61136.1174.6-70.7-2.7000112.1R17 I147 M164R17-D183 IonicContact CZ-OD1 3.13Å; R17-D183 IonicContact CZ-OD2 2.78Å; R17-D183 IonicContact NH1-OD1 2.74Å; R17-D183 PolarHBondContact NH1-OD1 3.12Å; R17-D183 IonicContact NH1-OD2 3.19Å; R17-D183 PolarHBondContact NH1-OD2 3.5Å; R17-D183 IonicContact NH2-OD1 3.67Å; R17-D183 PolarHBondContact NH2-OD1 3.2Å; R17-D183 IonicContact NH2-OD2 3.34Å; R17-D183 PolarHBondContact NH2-OD2 2.92Å; I147-D183 HydrophobicContact CG2-CB 4.01Å; M164-D183 WeakPolarHBondContact CE-O 3.35Å
184T98.9Very high97.9Very high8 Ų832 Ų325%0.04916%0.159CC..PPolyproline II helixtrans-72.5159.1170.170.10000111.2I147 F148 N163 M164 M187I147-T184 WeakPolarHBondContact CG2-O 3.37Å; F148-T184 HydrophobicContact CB-CG2 3.97Å; F148-T184 PolarHBondContact N-OG1 2.86Å; F148-T184 PolarHBondContact O-N 2.97Å; N163-T184 HydrophobicContact CB-CG2 4.08Å; M164-T184 HydrophobicContact CG-CG2 3.68Å; M164-T184 HydrophobicContact SD-CG2 4.47Å; T184-M187 HydrophobicContact CG2-CE 3.64Å; T184-M187 HydrophobicContact CG2-SD 4.01Å
185P98.5Very high98.4Very high29 Ų2923.8 Ų23.819%0.18812%0.121CC..PPolyproline II helixtrans-60.3171.8154.9-18.532.2000111.4M187 L251 Y419P185-M187 PolarHBondContact O-N 3.15Å; P185-M187 VanDerWaalsContact O-N 3.15Å; P185-L251 HydrophobicContact CG-CD2 3.47Å; P185-L251 VanDerWaalsContact CG-CD2 3.47Å; P185-Y419 HydrophobicContact CB-CD1 4Å; P185-Y419 HydrophobicContact CB-CE1 3.63Å; P185-Y419 HydrophobicContact CG-CE1 4.36Å
186K98.4Very high98.5Very high100 Ų10018.4 Ų18.444%0.4359%0.092SC..SBendtrans-63.1115.5172.5-166.1-175.9-176-165.40109.5K145 S146K145-K186 HydrophobicContact CB-CD 4.15Å; K145-K186 HydrophobicContact CB-CG 3.66Å; K145-K186 WeakPolarHBondContact O-CE 3.42Å; S146-K186 WeakPolarHBondContact O-CA 3.42Å
187M98.8Very high98.5Very high1 Ų117.3 Ų17.31%0.0059%0.086CC..BIsolated β-bridgetrans-145.1166.2-177.272.2-176.3-163.400112K145 S146 F148 T184 P185 L191 V192 W270K145-M187 CarbonylContact C-O 3.15Å; K145-M187 WeakPolarHBondContact CA-O 3.27Å; K145-M187 WeakPolarHBondContact CB-O 3.31Å; S146-M187 PolarHBondContact N-O 2.89Å; S146-M187 PolarHBondContact O-N 2.79Å; F148-M187 HydrophobicContact CD2-CE 3.68Å; F148-M187 HydrophobicContact CD2-CG 3.84Å; F148-M187 HydrophobicContact CE2-CE 4.2Å; F148-M187 HydrophobicContact CE2-CG 3.81Å; F148-M187 WeakPolarHBondContact CE2-O 3.43Å; F148-M187 HydrophobicContact CG-CE 4.26Å; T184-M187 HydrophobicContact CG2-CE 3.64Å; T184-M187 HydrophobicContact CG2-SD 4.01Å; P185-M187 PolarHBondContact O-N 3.15Å; P185-M187 VanDerWaalsContact O-N 3.15Å; M187-L191 HydrophobicContact SD-CB 4.39Å; M187-V192 HydrophobicContact CE-CB 4.34Å; M187-V192 HydrophobicContact CE-CG2 3.66Å; M187-W270 HydrophobicContact CB-CE3 3.55Å; M187-W270 HydrophobicContact CB-CZ3 3.73Å; M187-W270 HydrophobicContact CG-CE3 4.45Å; M187-W270 HydrophobicContact SD-CB 4.18Å; M187-W270 HydrophobicContact SD-CE3 4.12Å
188S98.7Very high98.4Very high0 Ų018.3 Ų18.30%09%0.092CC..  trans-79.4154.5179.4-54.90000112P142 K145 Y190 L191P142-S188 PolarHBondContact O-OG 3.33Å; K145-S188 WeakPolarHBondContact CG-OG 3.27Å; S188-Y190 VanDerWaalsContact C-N 3.27Å; S188-Y190 PolarHBondContact O-N 3.32Å; S188-L191 PolarHBondContact O-N 3.09Å
189T98.7Very high98.3Very high1 Ų118 Ų181%0.0069%0.089CC..G310 helixtrans-58-37.1-178.349.20000113.2C138 D140 F148 L191 V192C138-T189 HydrophobicContact CB-CG2 4.1Å; D140-T189 PolarHBondContact OD1-OG1 2.98Å; F148-T189 HydrophobicContact CE1-CG2 4.4Å; F148-T189 HydrophobicContact CZ-CG2 4Å; T189-L191 PolarHBondContact O-N 3.21Å; T189-L191 VanDerWaalsContact O-N 3.09Å; T189-V192 WeakPolarHBondContact O-CB 3.32Å; T189-V192 WeakPolarHBondContact O-CG2 3.35Å; T189-V192 PolarHBondContact O-N 3.08Å; T189-V192 VanDerWaalsContact O-N 3.08Å
190Y98.2Very high98.2Very high1 Ų119 Ų190%0.0049%0.094CC..G310 helixtrans-64.8-14.7-177.687.4-93.1000113.8F127 E128 S188 M267 E268 G309 T313 W317F127-Y190 WeakPolarHBondContact CB-O 3.32Å; E128-Y190 HydrophobicContact CB-CD2 3.89Å; E128-Y190 HydrophobicContact CG-CD2 3.99Å; E128-Y190 HydrophobicContact CG-CE2 4.38Å; S188-Y190 VanDerWaalsContact C-N 3.27Å; S188-Y190 PolarHBondContact O-N 3.32Å; Y190-M267 HydrophobicContact CD2-CE 3.64Å; Y190-M267 HydrophobicContact CE2-CE 3.68Å; Y190-E268 VanDerWaalsContact CE2-OE1 3.28Å; Y190-E268 WeakPolarHBondContact CE2-OE1 3.38Å; Y190-E268 PolarHBondContact OH-OE1 2.81Å; Y190-G309 PolarHBondContact OH-O 2.83Å; Y190-T313 HydrophobicContact CE1-CG2 3.86Å; Y190-W317 HydrophobicContact CD1-CH2 4.19Å; Y190-W317 HydrophobicContact CD2-CH2 4.49Å; Y190-W317 HydrophobicContact CG-CH2 4.19Å
191L98.8Very high98.2Very high0 Ų022.9 Ų22.90%011%0.108CC..G310 helixtrans-95.5-5.5178-66.5170.4000113.7N163 M187 S188 T189 A193 M267 E268 N269 N310N163-L191 PolarHBondContact ND2-O 3.19Å; M187-L191 HydrophobicContact SD-CB 4.39Å; S188-L191 PolarHBondContact O-N 3.09Å; T189-L191 PolarHBondContact O-N 3.21Å; T189-L191 VanDerWaalsContact O-N 3.09Å; L191-A193 PolarHBondContact O-N 3.29Å; L191-M267 HydrophobicContact CD2-CE 4.06Å; L191-E268 HydrophobicContact CD2-CG 3.82Å; L191-N269 WeakPolarHBondContact O-CB 3.3Å; L191-N310 HydrophobicContact CD1-CB 3.98Å; L191-N310 WeakPolarHBondContact CD1-OD1 3.49Å; L191-N310 WeakPolarHBondContact CD2-OD1 3.27Å
192V98.9Very high98.1Very high0 Ų024.7 Ų24.70%012%0.119CC..  trans-64.3130173.71760000108.3F127 F136 F148 I150 M187 T189F127-V192 HydrophobicContact CD2-CB 3.95Å; F127-V192 WeakPolarHBondContact CD2-O 3.32Å; F127-V192 HydrophobicContact CE2-CB 3.78Å; F127-V192 HydrophobicContact CE2-CG1 3.87Å; F127-V192 WeakPolarHBondContact CE2-O 3.45Å; F136-V192 HydrophobicContact CE1-CG1 4.25Å; F136-V192 HydrophobicContact CZ-CB 4.44Å; F136-V192 HydrophobicContact CZ-CG1 4.44Å; F136-V192 HydrophobicContact CZ-CG2 4.27Å; F148-V192 HydrophobicContact CD1-CG2 3.49Å; F148-V192 VanDerWaalsContact CD1-CG2 3.49Å; F148-V192 HydrophobicContact CD2-CG2 3.89Å; F148-V192 HydrophobicContact CE1-CG2 3.5Å; F148-V192 VanDerWaalsContact CE1-CG2 3.5Å; F148-V192 HydrophobicContact CE2-CG2 3.88Å; F148-V192 HydrophobicContact CG-CG2 3.7Å; F148-V192 HydrophobicContact CZ-CG2 3.69Å; I150-V192 HydrophobicContact CD1-CG1 3.86Å; M187-V192 HydrophobicContact CE-CB 4.34Å; M187-V192 HydrophobicContact CE-CG2 3.66Å; T189-V192 WeakPolarHBondContact O-CB 3.32Å; T189-V192 WeakPolarHBondContact O-CG2 3.35Å; T189-V192 PolarHBondContact O-N 3.08Å; T189-V192 VanDerWaalsContact O-N 3.08Å
193A98.8Very high98.1Very high0 Ų025.4 Ų25.40%012%0.123CC..  trans-144.9147.2177.700000113.4T125 S162 N163 L191 N269 L272T125-A193 VanDerWaalsContact OG1-CA 3.23Å; T125-A193 WeakPolarHBondContact OG1-CA 3.2Å; S162-A193 VanDerWaalsContact CA-O 3.24Å; S162-A193 WeakPolarHBondContact CA-O 3.32Å; S162-A193 WeakPolarHBondContact CB-O 3.02Å; S162-A193 PolarHBondContact OG-O 3.04Å; N163-A193 PolarHBondContact N-O 2.9Å; N163-A193 PolarHBondContact OD1-N 2.97Å; N163-A193 PolarHBondContact OD1-O 2.9Å; L191-A193 PolarHBondContact O-N 3.29Å; A193-N269 HydrophobicContact CB-CB 3.32Å; A193-N269 VanDerWaalsContact CB-CG 3.49Å; A193-L272 HydrophobicContact CB-CB 4.48Å; A193-L272 HydrophobicContact CB-CD2 4.14Å; A193-L272 HydrophobicContact CB-CG 4.46Å
194F98.8Very high98.1Very high1 Ų123.6 Ų23.60%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-156.1154.7167.548.7-95.2000111.3I22 F108 T125 F127 V135 I150 L152 I161I22-F194 HydrophobicContact CD1-CE1 3.89Å; I22-F194 HydrophobicContact CD1-CE2 4.17Å; I22-F194 HydrophobicContact CD1-CZ 3.36Å; F108-F194 HydrophobicContact CD1-CE2 4.31Å; F108-F194 HydrophobicContact CD2-CD2 4.46Å; F108-F194 AromaticContact CD2-CE2 3.75Å; F108-F194 HydrophobicContact CD2-CE2 3.75Å; F108-F194 HydrophobicContact CE1-CE2 4.18Å; F108-F194 HydrophobicContact CE2-CD2 4.06Å; F108-F194 AromaticContact CE2-CE2 3.61Å; F108-F194 HydrophobicContact CE2-CE2 3.61Å; F108-F194 HydrophobicContact CG-CE2 4.12Å; F108-F194 HydrophobicContact CZ-CD2 4.44Å; F108-F194 AromaticContact CZ-CE2 3.85Å; F108-F194 HydrophobicContact CZ-CE2 3.85Å; T125-F194 HydrophobicContact CG2-CD1 4.13Å; T125-F194 HydrophobicContact CG2-CD2 3.76Å; T125-F194 HydrophobicContact CG2-CE1 3.94Å; T125-F194 HydrophobicContact CG2-CE2 3.55Å; T125-F194 HydrophobicContact CG2-CG 4.06Å; T125-F194 HydrophobicContact CG2-CZ 3.64Å; T125-F194 PolarHBondContact N-O 2.93Å; T125-F194 PolarHBondContact OG1-N 3.02Å; T125-F194 PolarHBondContact OG1-O 2.68Å; F127-F194 HydrophobicContact CZ-CE1 4.45Å; V135-F194 HydrophobicContact CG1-CE1 4.47Å; V135-F194 HydrophobicContact CG1-CZ 3.78Å; I150-F194 HydrophobicContact CG2-CD1 4.33Å; L152-F194 HydrophobicContact CD1-CB 3.76Å; L152-F194 HydrophobicContact CD1-CD2 4.16Å; L152-F194 HydrophobicContact CD1-CG 4.08Å; L152-F194 HydrophobicContact CD2-CD2 4.08Å; L152-F194 HydrophobicContact CD2-CE2 4.31Å; L152-F194 HydrophobicContact CD2-CG 4.26Å; I161-F194 CarbonylContact O-C 3.59Å; I161-F194 WeakPolarHBondContact O-CA 3.31Å; I161-F194 WeakPolarHBondContact O-CB 3.47Å
195A98.6Very high98.1Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-138.4146.8176.100000111.1L122 L123 A160 I161 L257L122-A195 HydrophobicContact CD1-CB 4.3Å; L123-A195 CarbonylContact O-C 3.52Å; L123-A195 WeakPolarHBondContact O-CA 3.41Å; L123-A195 WeakPolarHBondContact O-CB 3.24Å; A160-A195 WeakPolarHBondContact CA-O 3.45Å; I161-A195 HydrophobicContact CD1-CB 4.46Å; I161-A195 HydrophobicContact CG1-CB 4.01Å; I161-A195 PolarHBondContact N-O 3.23Å; I161-A195 PolarHBondContact O-N 3.03Å; A195-L257 HydrophobicContact CB-CD2 3.46Å; A195-L257 VanDerWaalsContact CB-CD2 3.46Å
196V98.5Very high98.1Very high0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-134.2121.2-180-172.80000110F26 L123 L152 I154 K158 T159 A160F26-V196 HydrophobicContact CE2-CG1 3.93Å; F26-V196 HydrophobicContact CZ-CB 4.25Å; F26-V196 HydrophobicContact CZ-CG1 3.84Å; L123-V196 HydrophobicContact CB-CB 4.38Å; L123-V196 PolarHBondContact N-O 2.84Å; L123-V196 PolarHBondContact O-N 3.1Å; L152-V196 HydrophobicContact CD1-CG2 4.12Å; I154-V196 HydrophobicContact CB-CG1 3.9Å; I154-V196 HydrophobicContact CD1-CG1 4.02Å; I154-V196 HydrophobicContact CG2-CB 4.35Å; I154-V196 HydrophobicContact CG2-CG1 3.57Å; I154-V196 HydrophobicContact CG2-CG2 3.78Å; K158-V196 HydrophobicContact CB-CG1 4.26Å; T159-V196 WeakPolarHBondContact O-CA 3.36Å; A160-V196 HydrophobicContact CB-CG2 4.29Å
197G96.9Very high98Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-177.3-172.1-17900000114.2T159 L199T159-G197 PolarHBondContact N-O 3.46Å; T159-G197 PolarHBondContact O-N 2.86Å; G197-L199 VanDerWaalsContact C-N 3.35Å; G197-L199 PolarHBondContact O-N 2.89Å
198D95.1Very high97.9Very high29 Ų2931.6 Ų31.616%0.15516%0.161CC..SBendtrans-84.779.2172.3-57.9-52.7000109.5H120 K158H120-D198 IonicContact ND1-OD2 3.5Å; K158-D198 WeakPolarHBondContact CD-OD1 3.17Å; K158-D198 IonicContact NZ-OD1 2.79Å; K158-D198 PolarHBondContact NZ-OD1 3.44Å; K158-D198 IonicContact NZ-OD2 3.58Å; K158-D198 PolarHBondContact NZ-OD2 3.04Å
199L96.5Very high97.9Very high15 Ų1534.2 Ų34.28%0.07919%0.187CC..EExtended strand (participates in β ladder)trans-100.2142.3-172.6-61.2174.9000112.6L122 T159 I161 G197 Y215 S216 L257L122-L199 HydrophobicContact CD1-CD1 4.38Å; L122-L199 HydrophobicContact CD1-CD2 3.88Å; L122-L199 HydrophobicContact CD1-CG 4.34Å; L122-L199 HydrophobicContact CD2-CD2 4.49Å; T159-L199 HydrophobicContact CG2-CB 4.39Å; I161-L199 HydrophobicContact CD1-CD1 3.92Å; I161-L199 HydrophobicContact CG1-CD1 4.21Å; G197-L199 VanDerWaalsContact C-N 3.35Å; G197-L199 PolarHBondContact O-N 2.89Å; L199-Y215 HydrophobicContact CB-CD1 4.15Å; L199-Y215 HydrophobicContact CD1-CD1 4.44Å; L199-S216 WeakPolarHBondContact CA-O 3.44Å; L199-L257 HydrophobicContact CD1-CD1 4.39Å; L199-L257 HydrophobicContact CD2-CD1 3.91Å
200E96.7Very high97.9Very high30 Ų3034.8 Ų34.814%0.1419%0.191CC..EExtended strand (participates in β ladder)trans-117.4165.3163.167.7-177.8-169.400109.8Y215 S216 K218 G219 L220 L221 S222E200-Y215 WeakPolarHBondContact O-CA 3.32Å; E200-S216 PolarHBondContact N-O 3.45Å; E200-S216 PolarHBondContact O-N 3.04Å; E200-S216 VanDerWaalsContact O-N 3.08Å; E200-K218 HydrophobicContact CB-CG 4.48Å; E200-K218 VanDerWaalsContact CD-CA 3.49Å; E200-K218 WeakPolarHBondContact OE2-CA 3.4Å; E200-G219 VanDerWaalsContact CD-N 3.35Å; E200-G219 PolarHBondContact OE1-N 3.19Å; E200-G219 PolarHBondContact OE2-N 2.92Å; E200-L220 PolarHBondContact OE1-N 3.13Å; E200-L221 HydrophobicContact CG-CB 4.13Å; E200-L221 HydrophobicContact CG-CD1 4.12Å; E200-L221 HydrophobicContact CG-CG 4.16Å; E200-L221 WeakPolarHBondContact OE1-CA 3.46Å; E200-L221 WeakPolarHBondContact OE1-CB 3.28Å; E200-L221 PolarHBondContact OE1-N 3.45Å; E200-S222 PolarHBondContact OE1-N 3.37Å; E200-S222 PolarHBondContact OE2-OG 3.46Å; E200-S222 VanDerWaalsContact OE2-OG 3.11Å
201Y98.2Very high97.9Very high113 Ų11336.9 Ų36.944%0.44320%0.202SC..EExtended strand (participates in β ladder)trans-143.8157175.562.7-89.9000112.5E203 R213 V214 Y215Y201-E203 HydrophobicContact CD2-CB 4.06Å; Y201-E203 HydrophobicContact CD2-CG 4.35Å; Y201-E203 HydrophobicContact CE2-CB 4.23Å; Y201-E203 HydrophobicContact CE2-CG 4.07Å; Y201-E203 VanDerWaalsContact CE2-OE2 3.25Å; Y201-E203 WeakPolarHBondContact CE2-OE2 3.45Å; Y201-R213 HydrophobicContact CD2-CG 4.41Å; Y201-V214 CarbonylContact C-O 3.56Å; Y201-V214 WeakPolarHBondContact CA-O 3.39Å; Y201-V214 WeakPolarHBondContact CB-O 3.43Å; Y201-Y215 HydrophobicContact CD1-CD1 4.26Å; Y201-Y215 AromaticContact CD1-CE1 3.48Å; Y201-Y215 HydrophobicContact CD1-CE1 3.48Å; Y201-Y215 VanDerWaalsContact CD1-CE1 3.48Å; Y201-Y215 AromaticContact CD1-CZ 3.78Å; Y201-Y215 HydrophobicContact CE1-CE1 4.44Å; Y201-Y215 HydrophobicContact CG-CD1 4.41Å; Y201-Y215 AromaticContact CG-CE1 3.88Å; Y201-Y215 HydrophobicContact CG-CE1 3.88Å; Y201-Y215 AromaticContact CG-CZ 3.93Å
202T97.8Very high97.9Very high43 Ų4336.9 Ų36.926%0.26420%0.202SC..EExtended strand (participates in β ladder)trans-112.7146.8158.2-175.60000108.4R213 V214 L221 L231T202-R213 WeakPolarHBondContact O-CA 3.23Å; T202-V214 HydrophobicContact CG2-CB 3.95Å; T202-V214 PolarHBondContact N-O 3.43Å; T202-V214 PolarHBondContact O-N 3.2Å; T202-L221 HydrophobicContact CG2-CD1 4.48Å; T202-L231 HydrophobicContact CG2-CB 4.49Å; T202-L231 HydrophobicContact CG2-CD2 4.02Å
203E98Very high97.9Very high91 Ų9139.3 Ų39.343%0.42521%0.211SC..EExtended strand (participates in β ladder)trans-137153.5-173.469.5177.5-163.700113.3Y201 L211 V212 R213Y201-E203 HydrophobicContact CD2-CB 4.06Å; Y201-E203 HydrophobicContact CD2-CG 4.35Å; Y201-E203 HydrophobicContact CE2-CB 4.23Å; Y201-E203 HydrophobicContact CE2-CG 4.07Å; Y201-E203 VanDerWaalsContact CE2-OE2 3.25Å; Y201-E203 WeakPolarHBondContact CE2-OE2 3.45Å; E203-L211 HydrophobicContact CB-CD1 4.35Å; E203-V212 VanDerWaalsContact CA-O 3.28Å; E203-V212 WeakPolarHBondContact CA-O 3.43Å; E203-R213 HydrophobicContact CB-CG 3.79Å; E203-R213 IonicContact OE2-CZ 3.43Å; E203-R213 VanDerWaalsContact OE2-CZ 3.25Å; E203-R213 IonicContact OE2-NE 3.47Å; E203-R213 PolarHBondContact OE2-NE 3.25Å; E203-R213 IonicContact OE2-NH2 3.79Å; E203-R213 PolarHBondContact OE2-NH2 3.34Å
204A98.4Very high97.9Very high33 Ų3339.3 Ų39.327%0.27321%0.211SC..EExtended strand (participates in β ladder)trans-146.6171.7169.900000109V212 L231A204-V212 PolarHBondContact N-O 2.81Å; A204-V212 PolarHBondContact O-N 2.9Å; A204-V212 VanDerWaalsContact O-O 3.12Å; A204-L231 HydrophobicContact CB-CD1 4.05Å; A204-L231 HydrophobicContact CB-CD2 3.9Å; A204-L231 HydrophobicContact CB-CG 4.01Å
205V98.6Very high97.9Very high93 Ų9340 Ų4056%0.56421%0.213SC*.EExtended strand (participates in β ladder)trans-116.4130.4169.9-178.60000106.8V210 L211V205-V210 WeakPolarHBondContact CA-O 3.45Å; V205-L211 HydrophobicContact CG2-CD1 4.48Å
206D97.9Very high97.8Very high11 Ų1140 Ų406%0.05921%0.213CC..  trans-70.4178.1177.585.1-9.6000111.5N208 G209 V210 V212 C235 P239D206-N208 PolarHBondContact O-N 2.82Å; D206-N208 VanDerWaalsContact OD1-C 3.3Å; D206-N208 WeakPolarHBondContact OD1-CA 3.46Å; D206-N208 PolarHBondContact OD1-N 3.38Å; D206-G209 PolarHBondContact O-N 2.87Å; D206-G209 PolarHBondContact OD1-N 2.83Å; D206-V210 PolarHBondContact N-O 3.15Å; D206-V210 PolarHBondContact OD1-N 3.15Å; D206-V212 HydrophobicContact CB-CG2 4.19Å; D206-C235 HydrophobicContact CB-CB 4.48Å; D206-P239 HydrophobicContact CB-CG 4.03Å; D206-P239 WeakPolarHBondContact OD2-CG 3.47Å
207K96.8Very high97.6Very high127 Ų12740.7 Ų40.755%0.55222%0.216SC*.THydrogen-bonded Turntrans-66.5-17.9-179.182.7-168.8-163.2-1680114.1P239 E243K207-P239 HydrophobicContact CD-CB 3.54Å; K207-P239 HydrophobicContact CD-CG 3.99Å; K207-P239 HydrophobicContact CG-CB 3.63Å; K207-P239 HydrophobicContact CG-CG 3.76Å; K207-E243 WeakPolarHBondContact CE-OE1 3.19Å; K207-E243 IonicContact NZ-OE1 2.74Å; K207-E243 PolarHBondContact NZ-OE1 2.88Å; K207-E243 IonicContact NZ-OE2 2.64Å; K207-E243 PolarHBondContact NZ-OE2 2.55Å
208N97Very high97.4Very high76 Ų7646.9 Ų46.941%0.40624%0.243SC..THydrogen-bonded Turntrans-98.71.4-178.8-65.7-19.9000112.4D206D206-N208 PolarHBondContact O-N 2.82Å; D206-N208 VanDerWaalsContact OD1-C 3.3Å; D206-N208 WeakPolarHBondContact OD1-CA 3.46Å; D206-N208 PolarHBondContact OD1-N 3.38Å
209G97.9Very high97.2Very high54 Ų5446 Ų4656%0.55724%0.24SC*.SBendtrans88.68.4179.100000114.8D206D206-G209 PolarHBondContact O-N 2.87Å; D206-G209 PolarHBondContact OD1-N 2.83Å
210V98.7Very high96.9Very high13 Ų1345.5 Ų45.58%0.07924%0.238CC..  trans-78.5130.7176-176.40000109.3V205 D206 V212 L238 Y249 I254V205-V210 WeakPolarHBondContact CA-O 3.45Å; D206-V210 PolarHBondContact N-O 3.15Å; D206-V210 PolarHBondContact OD1-N 3.15Å; V210-V212 PolarHBondContact O-N 2.91Å; V210-L238 HydrophobicContact CB-CD2 3.94Å; V210-L238 HydrophobicContact CG1-CD2 3.77Å; V210-L238 HydrophobicContact CG2-CD2 4.14Å; V210-Y249 HydrophobicContact CG1-CD1 3.85Å; V210-Y249 HydrophobicContact CG1-CE1 3.91Å; V210-Y249 HydrophobicContact CG2-CD1 4.05Å; V210-I254 HydrophobicContact CG1-CG2 4.47Å
211L98.8Very high96.8Very high45 Ų4544.5 Ų44.524%0.23623%0.234CC..EExtended strand (participates in β ladder)trans-75.4120.6175.317560.5000110.5E203 V205 R213 P252 K253 I254E203-L211 HydrophobicContact CB-CD1 4.35Å; V205-L211 HydrophobicContact CG2-CD1 4.48Å; L211-R213 HydrophobicContact CD1-CG 4.44Å; L211-R213 HydrophobicContact CG-CG 4.43Å; L211-P252 PolarHBondContact N-O 3.03Å; L211-K253 HydrophobicContact CB-CB 4.02Å; L211-K253 HydrophobicContact CD2-CB 4.39Å; L211-K253 HydrophobicContact CG-CB 4.37Å; L211-K253 CarbonylContact O-C 3.5Å; L211-K253 WeakPolarHBondContact O-CA 3.24Å; L211-K253 WeakPolarHBondContact O-CB 3.49Å; L211-I254 PolarHBondContact O-N 2.88Å
212V98.9Very high96.4Very high0 Ų043.6 Ų43.60%024%0.244CC..EExtended strand (participates in β ladder)trans-111.9129.6-179.6-172.40000109.1E203 A204 D206 V210 L231 A234 I254 L256E203-V212 VanDerWaalsContact CA-O 3.28Å; E203-V212 WeakPolarHBondContact CA-O 3.43Å; A204-V212 PolarHBondContact N-O 2.81Å; A204-V212 PolarHBondContact O-N 2.9Å; A204-V212 VanDerWaalsContact O-O 3.12Å; D206-V212 HydrophobicContact CB-CG2 4.19Å; V210-V212 PolarHBondContact O-N 2.91Å; V212-L231 HydrophobicContact CB-CD1 4.1Å; V212-L231 HydrophobicContact CG1-CD1 3.79Å; V212-L231 WeakPolarHBondContact O-CD1 3.14Å; V212-A234 HydrophobicContact CG1-CB 3.68Å; V212-I254 WeakPolarHBondContact CA-O 3.35Å; V212-I254 HydrophobicContact CB-CG2 4.26Å; V212-I254 HydrophobicContact CG1-CG2 4.03Å; V212-I254 HydrophobicContact CG2-CG2 3.91Å; V212-L256 HydrophobicContact CG1-CD1 4.2Å
213R98.8Very high95.8Very high52 Ų5249 Ų4920%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-130.5142.5176.1-57.7-168.9165.9124-4.9112.3Y201 T202 E203 L211 Y215 I254 D255 L256Y201-R213 HydrophobicContact CD2-CG 4.41Å; T202-R213 WeakPolarHBondContact O-CA 3.23Å; E203-R213 HydrophobicContact CB-CG 3.79Å; E203-R213 IonicContact OE2-CZ 3.43Å; E203-R213 VanDerWaalsContact OE2-CZ 3.25Å; E203-R213 IonicContact OE2-NE 3.47Å; E203-R213 PolarHBondContact OE2-NE 3.25Å; E203-R213 IonicContact OE2-NH2 3.79Å; E203-R213 PolarHBondContact OE2-NH2 3.34Å; L211-R213 HydrophobicContact CD1-CG 4.44Å; L211-R213 HydrophobicContact CG-CG 4.43Å; R213-Y215 HydrophobicContact CB-CD2 3.92Å; R213-Y215 HydrophobicContact CB-CE2 3.53Å; R213-Y215 VanDerWaalsContact CD-OH 3.27Å; R213-Y215 WeakPolarHBondContact CD-OH 3.4Å; R213-Y215 HydrophobicContact CG-CE2 4.18Å; R213-I254 PolarHBondContact N-O 3.29Å; R213-D255 WeakPolarHBondContact CB-OD1 3.34Å; R213-D255 CarbonylContact O-C 3.56Å; R213-D255 WeakPolarHBondContact O-CA 3.3Å; R213-L256 PolarHBondContact O-N 2.91Å
214V98.8Very high95.3Very high0 Ų047.9 Ų47.90%026%0.261CS..EExtended strand (participates in β ladder)trans-107.2119.6164.9175.60000107.7Y201 T202 L221 A230 L231 L256 L280 L281Y201-V214 CarbonylContact C-O 3.56Å; Y201-V214 WeakPolarHBondContact CA-O 3.39Å; Y201-V214 WeakPolarHBondContact CB-O 3.43Å; T202-V214 HydrophobicContact CG2-CB 3.95Å; T202-V214 PolarHBondContact N-O 3.43Å; T202-V214 PolarHBondContact O-N 3.2Å; V214-L221 HydrophobicContact CG1-CD1 4.46Å; V214-L221 HydrophobicContact CG1-CD2 4.3Å; V214-L221 WeakPolarHBondContact O-CD1 3.42Å; V214-A230 HydrophobicContact CG2-CB 4.17Å; V214-L231 HydrophobicContact CG2-CB 3.89Å; V214-L231 HydrophobicContact CG2-CD1 4.31Å; V214-L256 CarbonylContact C-O 3.47Å; V214-L256 WeakPolarHBondContact CA-O 3.41Å; V214-L256 HydrophobicContact CG2-CB 4.39Å; V214-L280 HydrophobicContact CG1-CD2 3.92Å; V214-L280 HydrophobicContact CG1-CG 4.17Å; V214-L281 HydrophobicContact CG1-CD2 4.25Å
215Y98.7Very high95Very high14 Ų1450 Ų506%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-103144.8177.4-78.6-92.3000111.2I161 L199 E200 Y201 R213 D255 L256 A258I161-Y215 HydrophobicContact CD1-CD1 4.19Å; I161-Y215 HydrophobicContact CD1-CD2 4.14Å; I161-Y215 HydrophobicContact CD1-CG 3.96Å; I161-Y215 HydrophobicContact CG2-CD1 4.44Å; I161-Y215 HydrophobicContact CG2-CE1 3.88Å; I161-Y215 HydrophobicContact CG2-CE2 4.4Å; L199-Y215 HydrophobicContact CB-CD1 4.15Å; L199-Y215 HydrophobicContact CD1-CD1 4.44Å; E200-Y215 WeakPolarHBondContact O-CA 3.32Å; Y201-Y215 HydrophobicContact CD1-CD1 4.26Å; Y201-Y215 AromaticContact CD1-CE1 3.48Å; Y201-Y215 HydrophobicContact CD1-CE1 3.48Å; Y201-Y215 VanDerWaalsContact CD1-CE1 3.48Å; Y201-Y215 AromaticContact CD1-CZ 3.78Å; Y201-Y215 HydrophobicContact CE1-CE1 4.44Å; Y201-Y215 HydrophobicContact CG-CD1 4.41Å; Y201-Y215 AromaticContact CG-CE1 3.88Å; Y201-Y215 HydrophobicContact CG-CE1 3.88Å; Y201-Y215 AromaticContact CG-CZ 3.93Å; R213-Y215 HydrophobicContact CB-CD2 3.92Å; R213-Y215 HydrophobicContact CB-CE2 3.53Å; R213-Y215 VanDerWaalsContact CD-OH 3.27Å; R213-Y215 WeakPolarHBondContact CD-OH 3.4Å; R213-Y215 HydrophobicContact CG-CE2 4.18Å; Y215-D255 HydrophobicContact CD2-CB 3.96Å; Y215-D255 HydrophobicContact CE2-CB 3.97Å; Y215-L256 PolarHBondContact N-O 3.01Å; Y215-A258 PolarHBondContact O-N 3Å
216S97.4Very high94.8Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-154.4170.8172.41780000109.7L199 E200L199-S216 WeakPolarHBondContact CA-O 3.44Å; E200-S216 PolarHBondContact N-O 3.45Å; E200-S216 PolarHBondContact O-N 3.04Å; E200-S216 VanDerWaalsContact O-N 3.08Å
217R94Very high94.8Very high15 Ų1545.4 Ų45.46%0.05724%0.24CC..EExtended strand (participates in β ladder)trans-57.6152159.259.3178.9171.7135.35.5111.2Y113 I114 L220 E277Y113-R217 HydrophobicContact CD1-CB 4.44Å; Y113-R217 VanDerWaalsContact CD2-NH1 3.35Å; Y113-R217 HydrophobicContact CE1-CB 3.89Å; Y113-R217 HydrophobicContact CE2-CB 3.96Å; Y113-R217 HydrophobicContact CE2-CG 4.37Å; I114-R217 PolarHBondContact O-NH1 3.09Å; R217-L220 HydrophobicContact CG-CD1 4.04Å; R217-L220 HydrophobicContact CG-CG 4.4Å; R217-E277 IonicContact CZ-OE1 3.35Å; R217-E277 IonicContact NE-OE1 3.81Å; R217-E277 PolarHBondContact NE-OE1 2.78Å; R217-E277 IonicContact NH2-OE1 3.6Å; R217-E277 PolarHBondContact NH2-OE1 2.8Å; R217-E277 IonicContact NH2-OE2 3.04Å
218K92Very high94.7Very high131 Ų13140.9 Ų40.957%0.5722%0.224SC*.THydrogen-bonded Turntrans-54.3144-179.3-67.5-177.7-179.9176.20113.1E200E200-K218 HydrophobicContact CB-CG 4.48Å; E200-K218 VanDerWaalsContact CD-CA 3.49Å; E200-K218 WeakPolarHBondContact OE2-CA 3.4Å
219G90.7Very high94.8Very high9 Ų938.6 Ų38.69%0.09321%0.21CC..THydrogen-bonded Turntrans92.6-11.8173.200000115.3E200 Q224E200-G219 VanDerWaalsContact CD-N 3.35Å; E200-G219 PolarHBondContact OE1-N 3.19Å; E200-G219 PolarHBondContact OE2-N 2.92Å; G219-Q224 WeakPolarHBondContact O-CG 3.27Å; G219-Q224 PolarHBondContact O-NE2 2.91Å
220L91.7Very high94.8Very high5 Ų536 Ų363%0.02618%0.184CC..SBendtrans-92.8-26.9179-60.9-172.2000113E200 R217 Q224 Q226 L281E200-L220 PolarHBondContact OE1-N 3.13Å; R217-L220 HydrophobicContact CG-CD1 4.04Å; R217-L220 HydrophobicContact CG-CG 4.4Å; L220-Q224 WeakPolarHBondContact O-CB 3.47Å; L220-Q226 WeakPolarHBondContact O-CB 3.46Å; L220-Q226 WeakPolarHBondContact O-CG 3.35Å; L220-Q226 PolarHBondContact O-N 2.75Å; L220-Q226 VanDerWaalsContact O-N 3.07Å; L220-L281 HydrophobicContact CB-CD1 4.23Å; L220-L281 HydrophobicContact CD1-CD1 3.61Å
221L94.1Very high94.8Very high10 Ų1036.1 Ų36.15%0.05218%0.184CC..SBendtrans-98.4-62.7-177.8-52.5-174.2000111.1E200 T202 V214 E223 N225 L281E200-L221 HydrophobicContact CG-CB 4.13Å; E200-L221 HydrophobicContact CG-CD1 4.12Å; E200-L221 HydrophobicContact CG-CG 4.16Å; E200-L221 WeakPolarHBondContact OE1-CA 3.46Å; E200-L221 WeakPolarHBondContact OE1-CB 3.28Å; E200-L221 PolarHBondContact OE1-N 3.45Å; T202-L221 HydrophobicContact CG2-CD1 4.48Å; V214-L221 HydrophobicContact CG1-CD1 4.46Å; V214-L221 HydrophobicContact CG1-CD2 4.3Å; V214-L221 WeakPolarHBondContact O-CD1 3.42Å; L221-E223 VanDerWaalsContact C-N 3.34Å; L221-E223 PolarHBondContact O-N 2.83Å; L221-N225 WeakPolarHBondContact O-CA 3.25Å; L221-N225 PolarHBondContact O-N 2.9Å; L221-L281 HydrophobicContact CD2-CD2 3.73Å
222S89Confident94.7Very high94 Ų9437.6 Ų37.666%0.65719%0.192SC*.THydrogen-bonded Turntrans-70-32-172.859.10000113E200E200-S222 PolarHBondContact OE1-N 3.37Å; E200-S222 PolarHBondContact OE2-OG 3.46Å; E200-S222 VanDerWaalsContact OE2-OG 3.11Å
223E85.8Confident94.7Very high157 Ų15737.6 Ų37.673%0.73419%0.192SC*.THydrogen-bonded Turntrans-94.9-32.6-176.7-60.1177.5-17000112.5L221L221-E223 VanDerWaalsContact C-N 3.34Å; L221-E223 PolarHBondContact O-N 2.83Å
224Q87.1Confident94.7Very high66 Ų6635.1 Ų35.131%0.30818%0.183SC..THydrogen-bonded Turntrans-116.4-3-172.8-61.7-177.943.800114.7G219 L220 Q226G219-Q224 WeakPolarHBondContact O-CG 3.27Å; G219-Q224 PolarHBondContact O-NE2 2.91Å; L220-Q224 WeakPolarHBondContact O-CB 3.47Å; Q224-Q226 HydrophobicContact CB-CG 3.84Å; Q224-Q226 PolarHBondContact O-N 2.98Å; Q224-Q226 VanDerWaalsContact O-N 3.1Å
225N92.9Very high94.7Very high78 Ų7836.1 Ų36.142%0.41719%0.19SC..  trans5525.9177.6-166.136.2000114.8L221 G227 S228L221-N225 WeakPolarHBondContact O-CA 3.25Å; L221-N225 PolarHBondContact O-N 2.9Å; N225-G227 VanDerWaalsContact C-N 3.3Å; N225-G227 PolarHBondContact O-N 3.02Å; N225-S228 PolarHBondContact ND2-OG 2.71Å; N225-S228 PolarHBondContact O-OG 3.37Å; N225-S228 WeakPolarHBondContact OD1-CB 3.26Å; N225-S228 PolarHBondContact OD1-OG 2.72Å
226Q94.4Very high94.7Very high8 Ų839.8 Ų39.84%0.03721%0.207CC..THydrogen-bonded Turntrans-74.3-15.3-171.5-61.9-169.90.500114.2L220 Q224 L281 A282L220-Q226 WeakPolarHBondContact O-CB 3.46Å; L220-Q226 WeakPolarHBondContact O-CG 3.35Å; L220-Q226 PolarHBondContact O-N 2.75Å; L220-Q226 VanDerWaalsContact O-N 3.07Å; Q224-Q226 HydrophobicContact CB-CG 3.84Å; Q224-Q226 PolarHBondContact O-N 2.98Å; Q224-Q226 VanDerWaalsContact O-N 3.1Å; Q226-L281 HydrophobicContact CB-CB 4Å; Q226-L281 WeakPolarHBondContact O-CA 3.24Å; Q226-A282 CarbonylContact C-O 3.59Å; Q226-A282 WeakPolarHBondContact CA-O 3.07Å; Q226-A282 PolarHBondContact O-N 3.29Å
227G96.3Very high94.7Very high0 Ų039.8 Ų39.80%021%0.207CC..THydrogen-bonded Turntrans-95.3-6.5-179.500000115.4N225 F229 A230 L231N225-G227 VanDerWaalsContact C-N 3.3Å; N225-G227 PolarHBondContact O-N 3.02Å; G227-F229 PolarHBondContact O-N 2.96Å; G227-A230 PolarHBondContact O-N 2.89Å; G227-L231 WeakPolarHBondContact O-CB 3.49Å; G227-L231 PolarHBondContact O-N 3.24Å
228S96.6Very high95Very high32 Ų3239.1 Ų39.122%0.22421%0.205CC..Hα-helixtrans-66.8-35.7-172.654.70000113.5N225 N232 P284N225-S228 PolarHBondContact ND2-OG 2.71Å; N225-S228 PolarHBondContact O-OG 3.37Å; N225-S228 WeakPolarHBondContact OD1-CB 3.26Å; N225-S228 PolarHBondContact OD1-OG 2.72Å; S228-N232 PolarHBondContact O-N 3.25Å; S228-N232 VanDerWaalsContact O-N 3.14Å; S228-P284 WeakPolarHBondContact OG-CG 3.41Å
229F97.2Very high95.3Very high27 Ų2732.9 Ų32.912%0.11818%0.177CC..Hα-helixtrans-66.2-48.7175.6-178.7-106000111.4G227 L231 N232 V233 P284 M287 K292 I295 T296G227-F229 PolarHBondContact O-N 2.96Å; F229-L231 VanDerWaalsContact C-N 3.32Å; F229-L231 PolarHBondContact O-N 2.9Å; F229-N232 WeakPolarHBondContact O-CB 3.42Å; F229-N232 PolarHBondContact O-N 3.09Å; F229-N232 VanDerWaalsContact O-N 3.11Å; F229-V233 HydrophobicContact CD1-CG2 4.22Å; F229-V233 HydrophobicContact CE1-CG2 3.75Å; F229-V233 HydrophobicContact CE2-CG2 4.3Å; F229-V233 HydrophobicContact CZ-CG2 3.78Å; F229-V233 WeakPolarHBondContact O-CG2 3.25Å; F229-V233 PolarHBondContact O-N 3.04Å; F229-P284 HydrophobicContact CB-CG 4.37Å; F229-M287 HydrophobicContact CB-CE 3.55Å; F229-M287 HydrophobicContact CD1-CE 3.66Å; F229-M287 HydrophobicContact CD1-SD 4.19Å; F229-M287 HydrophobicContact CD2-CE 4.02Å; F229-M287 HydrophobicContact CE1-CE 4.41Å; F229-M287 HydrophobicContact CE1-SD 4.37Å; F229-M287 HydrophobicContact CG-CE 3.44Å; F229-M287 VanDerWaalsContact CG-CE 3.44Å; F229-M287 HydrophobicContact CG-SD 4.29Å; F229-K292 HydrophobicContact CE1-CG 3.97Å; F229-K292 HydrophobicContact CE2-CD 4.49Å; F229-K292 HydrophobicContact CE2-CG 4.12Å; F229-K292 HydrophobicContact CZ-CD 4.25Å; F229-K292 HydrophobicContact CZ-CG 3.48Å; F229-K292 VanDerWaalsContact CZ-CG 3.48Å; F229-I295 HydrophobicContact CD1-CB 4.32Å; F229-I295 HydrophobicContact CD1-CG2 3.83Å; F229-I295 HydrophobicContact CE1-CB 4.17Å; F229-I295 HydrophobicContact CE1-CG2 3.96Å; F229-T296 WeakPolarHBondContact CZ-OG1 3.34Å
230A98.4Very high95.6Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-59.4-41.7176.500000112.9V214 G227 N232 V233 A234 L280 I295 I299V214-A230 HydrophobicContact CG2-CB 4.17Å; G227-A230 PolarHBondContact O-N 2.89Å; A230-N232 VanDerWaalsContact C-N 3.26Å; A230-N232 PolarHBondContact O-N 3.01Å; A230-V233 PolarHBondContact O-N 2.94Å; A230-A234 PolarHBondContact O-N 2.85Å; A230-L280 HydrophobicContact CB-CD1 3.58Å; A230-L280 HydrophobicContact CB-CG 4.09Å; A230-L280 WeakPolarHBondContact CB-O 3.46Å; A230-I295 HydrophobicContact CB-CG2 4.31Å; A230-I299 HydrophobicContact CB-CD1 3.47Å; A230-I299 VanDerWaalsContact CB-CD1 3.47Å
231L98.5Very high95.9Very high16 Ų1633 Ų338%0.08418%0.175CC..Hα-helixtrans-57.8-42.6175.4-178.265.2000111.2T202 A204 V212 V214 G227 F229 C235T202-L231 HydrophobicContact CG2-CB 4.49Å; T202-L231 HydrophobicContact CG2-CD2 4.02Å; A204-L231 HydrophobicContact CB-CD1 4.05Å; A204-L231 HydrophobicContact CB-CD2 3.9Å; A204-L231 HydrophobicContact CB-CG 4.01Å; V212-L231 HydrophobicContact CB-CD1 4.1Å; V212-L231 HydrophobicContact CG1-CD1 3.79Å; V212-L231 WeakPolarHBondContact O-CD1 3.14Å; V214-L231 HydrophobicContact CG2-CB 3.89Å; V214-L231 HydrophobicContact CG2-CD1 4.31Å; G227-L231 WeakPolarHBondContact O-CB 3.49Å; G227-L231 PolarHBondContact O-N 3.24Å; F229-L231 VanDerWaalsContact C-N 3.32Å; F229-L231 PolarHBondContact O-N 2.9Å; L231-C235 PolarHBondContact O-N 2.95Å; L231-C235 VanDerWaalsContact O-N 3.1Å; L231-C235 PolarHBondContact O-SG 2.85Å
232N97.9Very high96.1Very high76 Ų7632.8 Ų32.841%0.40618%0.176SC..Hα-helixtrans-65.5-46.3177.3-173.7-54000111.5S228 F229 A230 A234 C235 H236 Y339S228-N232 PolarHBondContact O-N 3.25Å; S228-N232 VanDerWaalsContact O-N 3.14Å; F229-N232 WeakPolarHBondContact O-CB 3.42Å; F229-N232 PolarHBondContact O-N 3.09Å; F229-N232 VanDerWaalsContact O-N 3.11Å; A230-N232 VanDerWaalsContact C-N 3.26Å; A230-N232 PolarHBondContact O-N 3.01Å; N232-A234 PolarHBondContact O-N 2.85Å; N232-C235 PolarHBondContact O-N 2.7Å; N232-H236 PolarHBondContact O-N 2.77Å; N232-H236 PolarHBondContact O-ND1 2.89Å; N232-H236 PolarHBondContact OD1-CE1 3.14Å; N232-H236 PolarHBondContact OD1-ND1 3.43Å; N232-Y339 PolarHBondContact OD1-OH 2.94Å
233V98.6Very high96.5Very high0 Ų032.8 Ų32.80%017%0.165CC..Hα-helixtrans-56-50.5175.5177.60000110.9F229 A230 C235 H236 S237 T296 I299 Y339F229-V233 HydrophobicContact CD1-CG2 4.22Å; F229-V233 HydrophobicContact CE1-CG2 3.75Å; F229-V233 HydrophobicContact CE2-CG2 4.3Å; F229-V233 HydrophobicContact CZ-CG2 3.78Å; F229-V233 WeakPolarHBondContact O-CG2 3.25Å; F229-V233 PolarHBondContact O-N 3.04Å; A230-V233 PolarHBondContact O-N 2.94Å; V233-C235 VanDerWaalsContact C-N 3.31Å; V233-C235 PolarHBondContact O-N 2.85Å; V233-H236 PolarHBondContact O-N 2.8Å; V233-H236 VanDerWaalsContact O-N 3.07Å; V233-S237 WeakPolarHBondContact O-CB 3.14Å; V233-S237 PolarHBondContact O-N 3.31Å; V233-S237 PolarHBondContact O-OG 2.82Å; V233-S237 VanDerWaalsContact O-OG 3.13Å; V233-T296 HydrophobicContact CG1-CG2 4.25Å; V233-T296 HydrophobicContact CG2-CG2 4.45Å; V233-I299 HydrophobicContact CB-CD1 4.07Å; V233-I299 HydrophobicContact CB-CG2 4.24Å; V233-I299 HydrophobicContact CG1-CB 3.81Å; V233-I299 HydrophobicContact CG1-CD1 4.23Å; V233-I299 HydrophobicContact CG1-CG2 3.64Å; V233-Y339 WeakPolarHBondContact CA-OH 3.4Å; V233-Y339 HydrophobicContact CB-CE2 4.39Å; V233-Y339 HydrophobicContact CG1-CE2 4.27Å; V233-Y339 HydrophobicContact CG2-CE2 3.94Å; V233-Y339 PolarHBondContact N-OH 2.88Å
234A98.8Very high97Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-59.9-40.4-179.500000112.8V212 A230 N232 H236 L238 L256 I299 I303V212-A234 HydrophobicContact CG1-CB 3.68Å; A230-A234 PolarHBondContact O-N 2.85Å; N232-A234 PolarHBondContact O-N 2.85Å; A234-H236 VanDerWaalsContact C-N 3.26Å; A234-H236 PolarHBondContact O-N 3.15Å; A234-L238 WeakPolarHBondContact O-CB 3.42Å; A234-L238 PolarHBondContact O-N 3.39Å; A234-L238 VanDerWaalsContact O-N 3.09Å; A234-L256 HydrophobicContact CB-CD1 4.03Å; A234-L256 HydrophobicContact CB-CD2 4.03Å; A234-I299 HydrophobicContact CB-CG2 4.13Å; A234-I303 HydrophobicContact CB-CD1 3.83Å
235C98.6Very high97.4Very high21 Ų2123.7 Ų23.714%0.14212%0.121CC..Hα-helixtrans-67.1-20.4177.5-68.90000114.3D206 L231 N232 V233 P239D206-C235 HydrophobicContact CB-CB 4.48Å; L231-C235 PolarHBondContact O-N 2.95Å; L231-C235 VanDerWaalsContact O-N 3.1Å; L231-C235 PolarHBondContact O-SG 2.85Å; N232-C235 PolarHBondContact O-N 2.7Å; V233-C235 VanDerWaalsContact C-N 3.31Å; V233-C235 PolarHBondContact O-N 2.85Å; C235-P239 WeakPolarHBondContact O-CD 3.49Å; C235-P239 VanDerWaalsContact O-CG 3.23Å; C235-P239 WeakPolarHBondContact O-CG 3.49Å
236H98.5Very high97.6Very high90 Ų9021.6 Ų21.642%0.41712%0.118SC..Hα-helixtrans-96.1-39.4175.4-67.793.8000112.2N232 V233 A234 P239 F240 C338N232-H236 PolarHBondContact O-N 2.77Å; N232-H236 PolarHBondContact O-ND1 2.89Å; N232-H236 PolarHBondContact OD1-CE1 3.14Å; N232-H236 PolarHBondContact OD1-ND1 3.43Å; V233-H236 PolarHBondContact O-N 2.8Å; V233-H236 VanDerWaalsContact O-N 3.07Å; A234-H236 VanDerWaalsContact C-N 3.26Å; A234-H236 PolarHBondContact O-N 3.15Å; H236-P239 WeakPolarHBondContact O-CD 3.37Å; H236-F240 WeakPolarHBondContact O-CB 3.24Å; H236-F240 PolarHBondContact O-N 3.49Å; H236-C338 HydrophobicContact CB-CB 4.16Å
237S98.6Very high97.8Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-68.8-42.7-179-59.10000112.5V233 F240 Y241 S300 C334V233-S237 WeakPolarHBondContact O-CB 3.14Å; V233-S237 PolarHBondContact O-N 3.31Å; V233-S237 PolarHBondContact O-OG 2.82Å; V233-S237 VanDerWaalsContact O-OG 3.13Å; S237-F240 WeakPolarHBondContact O-CB 3.15Å; S237-F240 PolarHBondContact O-N 3.04Å; S237-Y241 WeakPolarHBondContact O-CD2 3.48Å; S237-Y241 PolarHBondContact O-N 3.43Å; S237-Y241 VanDerWaalsContact O-N 3.09Å; S237-S300 PolarHBondContact OG-OG 3.31Å; S237-S300 VanDerWaalsContact OG-OG 3.1Å; S237-C334 VanDerWaalsContact CB-SG 3.5Å; S237-C334 PolarHBondContact OG-SG 3.46Å; S237-C334 VanDerWaalsContact OG-SG 3.37Å
238L98.6Very high97.8Very high2 Ų229.5 Ų29.51%0.0116%0.156CC..Hα-helixtrans-60.9-47.8-177.7-173.274.8000112.6V210 A234 Y241 G242 Y249 I254 I303 W307V210-L238 HydrophobicContact CB-CD2 3.94Å; V210-L238 HydrophobicContact CG1-CD2 3.77Å; V210-L238 HydrophobicContact CG2-CD2 4.14Å; A234-L238 WeakPolarHBondContact O-CB 3.42Å; A234-L238 PolarHBondContact O-N 3.39Å; A234-L238 VanDerWaalsContact O-N 3.09Å; L238-Y241 PolarHBondContact O-N 2.84Å; L238-G242 PolarHBondContact O-N 2.81Å; L238-Y249 HydrophobicContact CD1-CD1 4.29Å; L238-Y249 HydrophobicContact CD1-CD2 3.85Å; L238-Y249 HydrophobicContact CD1-CE2 4.46Å; L238-Y249 HydrophobicContact CD1-CG 3.75Å; L238-Y249 HydrophobicContact CD2-CD1 3.98Å; L238-Y249 HydrophobicContact CD2-CE1 4.49Å; L238-Y249 HydrophobicContact CD2-CG 4.19Å; L238-Y249 HydrophobicContact CG-CG 4.35Å; L238-I254 HydrophobicContact CD1-CD1 4.27Å; L238-I254 HydrophobicContact CD2-CG2 4.12Å; L238-I303 HydrophobicContact CB-CG2 4.04Å; L238-I303 HydrophobicContact CD1-CG2 3.6Å; L238-I303 HydrophobicContact CG-CG2 4.47Å; L238-W307 HydrophobicContact CD1-CH2 3.93Å; L238-W307 HydrophobicContact CD1-CZ3 4.13Å
239P98.2Very high97.9Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-68.6-33.7175.4-16.628.8000114D206 K207 C235 H236 Y241 G242 E243D206-P239 HydrophobicContact CB-CG 4.03Å; D206-P239 WeakPolarHBondContact OD2-CG 3.47Å; K207-P239 HydrophobicContact CD-CB 3.54Å; K207-P239 HydrophobicContact CD-CG 3.99Å; K207-P239 HydrophobicContact CG-CB 3.63Å; K207-P239 HydrophobicContact CG-CG 3.76Å; C235-P239 WeakPolarHBondContact O-CD 3.49Å; C235-P239 VanDerWaalsContact O-CG 3.23Å; C235-P239 WeakPolarHBondContact O-CG 3.49Å; H236-P239 WeakPolarHBondContact O-CD 3.37Å; P239-Y241 VanDerWaalsContact C-N 3.31Å; P239-Y241 PolarHBondContact O-N 2.72Å; P239-G242 PolarHBondContact O-N 3.42Å; P239-E243 WeakPolarHBondContact O-CG 3.35Å; P239-E243 PolarHBondContact O-N 2.83Å
240F98.3Very high97.9Very high16 Ų1630.1 Ų30.17%0.0716%0.16CC..Hα-helixtrans-55.5-48.2175167.1-92.9000111H236 S237 E243 Y244 C334 H337H236-F240 WeakPolarHBondContact O-CB 3.24Å; H236-F240 PolarHBondContact O-N 3.49Å; S237-F240 WeakPolarHBondContact O-CB 3.15Å; S237-F240 PolarHBondContact O-N 3.04Å; F240-E243 PolarHBondContact O-N 2.85Å; F240-Y244 HydrophobicContact CZ-CD2 4.14Å; F240-Y244 HydrophobicContact CZ-CG 4.39Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.43Å; F240-Y244 PolarHBondContact O-N 2.86Å; F240-C334 HydrophobicContact CD1-CB 3.61Å; F240-C334 VanDerWaalsContact CD1-SG 3.52Å; F240-C334 HydrophobicContact CE1-CB 3.55Å; F240-C334 HydrophobicContact CG-CB 4.48Å; F240-C334 HydrophobicContact CZ-CB 4.37Å; F240-H337 HydrophobicContact CD2-CB 4.02Å; F240-H337 AromaticContact CD2-CD2 3.37Å; F240-H337 WeakPolarHBondContact CD2-CD2 3.41Å; F240-H337 AromaticContact CD2-CG 3.67Å; F240-H337 AromaticContact CD2-NE2 3.99Å; F240-H337 HydrophobicContact CE2-CB 3.64Å; F240-H337 AromaticContact CE2-CD2 3.76Å; F240-H337 AromaticContact CE2-CG 3.54Å; F240-H337 HydrophobicContact CZ-CB 4.38Å
241Y98.4Very high97.9Very high0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-66.3-42.6179.7-71.2-53.2000112.7S237 L238 P239 E243 Y244 F245 S300 I303 A304 W307 I330 C334S237-Y241 WeakPolarHBondContact O-CD2 3.48Å; S237-Y241 PolarHBondContact O-N 3.43Å; S237-Y241 VanDerWaalsContact O-N 3.09Å; L238-Y241 PolarHBondContact O-N 2.84Å; P239-Y241 VanDerWaalsContact C-N 3.31Å; P239-Y241 PolarHBondContact O-N 2.72Å; Y241-E243 VanDerWaalsContact C-N 3.25Å; Y241-E243 PolarHBondContact O-N 2.79Å; Y241-Y244 PolarHBondContact O-N 3.16Å; Y241-F245 AromaticContact CD1-CE2 3.54Å; Y241-F245 HydrophobicContact CD1-CE2 3.54Å; Y241-F245 AromaticContact CD1-CZ 3.74Å; Y241-F245 HydrophobicContact CD1-CZ 3.74Å; Y241-F245 HydrophobicContact CE1-CZ 4.4Å; Y241-F245 AromaticContact CG-CE2 3.94Å; Y241-F245 HydrophobicContact CG-CE2 3.94Å; Y241-F245 WeakPolarHBondContact O-CD2 3.38Å; Y241-F245 WeakPolarHBondContact O-CG 3.39Å; Y241-F245 PolarHBondContact O-N 3Å; Y241-S300 VanDerWaalsContact CE2-O 3.28Å; Y241-S300 WeakPolarHBondContact CE2-O 3.35Å; Y241-S300 VanDerWaalsContact CZ-O 3.31Å; Y241-S300 PolarHBondContact OH-O 2.89Å; Y241-I303 HydrophobicContact CD2-CB 4.23Å; Y241-I303 HydrophobicContact CD2-CG2 3.57Å; Y241-I303 HydrophobicContact CE2-CB 4.03Å; Y241-I303 HydrophobicContact CE2-CG2 3.89Å; Y241-A304 HydrophobicContact CE1-CB 4.06Å; Y241-A304 HydrophobicContact CE2-CB 4.1Å; Y241-W307 HydrophobicContact CD2-CZ3 4.24Å; Y241-W307 HydrophobicContact CG-CE3 4.41Å; Y241-W307 HydrophobicContact CG-CZ3 4.1Å; Y241-I330 HydrophobicContact CD1-CD1 4.03Å; Y241-I330 HydrophobicContact CD1-CG2 4.48Å; Y241-I330 HydrophobicContact CE1-CB 4.25Å; Y241-I330 HydrophobicContact CE1-CD1 3.81Å; Y241-I330 HydrophobicContact CE1-CG1 3.88Å; Y241-I330 HydrophobicContact CE1-CG2 3.55Å; Y241-C334 HydrophobicContact CE1-CB 3.82Å; Y241-C334 HydrophobicContact CE2-CB 4.25Å; Y241-C334 VanDerWaalsContact OH-CB 3.24Å; Y241-C334 WeakPolarHBondContact OH-CB 3.15Å
242G97.6Very high97.9Very high6 Ų633 Ų336%0.06218%0.179CC..Hα-helixtrans-56.1-43175.900000112.3L238 P239 G246 I247L238-G242 PolarHBondContact O-N 2.81Å; P239-G242 PolarHBondContact O-N 3.42Å; G242-G246 CarbonylContact O-C 3.55Å; G242-G246 VanDerWaalsContact O-CA 3.25Å; G242-G246 WeakPolarHBondContact O-CA 3.41Å; G242-G246 PolarHBondContact O-N 3.21Å; G242-I247 WeakPolarHBondContact CA-O 3.48Å; G242-I247 PolarHBondContact O-N 3.43Å; G242-I247 VanDerWaalsContact O-N 3.1Å
243E97.2Very high97.9Very high94 Ų9429.8 Ų29.844%0.43916%0.161SC..Hα-helixtrans-69.6-48.7175.8-71.5174.7163.700112K207 P239 F240 Y241 F245 G246 R407K207-E243 WeakPolarHBondContact CE-OE1 3.19Å; K207-E243 IonicContact NZ-OE1 2.74Å; K207-E243 PolarHBondContact NZ-OE1 2.88Å; K207-E243 IonicContact NZ-OE2 2.64Å; K207-E243 PolarHBondContact NZ-OE2 2.55Å; P239-E243 WeakPolarHBondContact O-CG 3.35Å; P239-E243 PolarHBondContact O-N 2.83Å; F240-E243 PolarHBondContact O-N 2.85Å; Y241-E243 VanDerWaalsContact C-N 3.25Å; Y241-E243 PolarHBondContact O-N 2.79Å; E243-F245 PolarHBondContact O-N 3.04Å; E243-G246 PolarHBondContact O-N 2.86Å; E243-R407 PolarHBondContact O-NH2 3.4Å
244Y96.5Very high97.9Very high30 Ų3029.8 Ų29.812%0.11816%0.161CC..Hα-helixtrans-61.7-45-176.6-170.6-90.7000111.5F240 Y241 I330 R407 L410F240-Y244 HydrophobicContact CZ-CD2 4.14Å; F240-Y244 HydrophobicContact CZ-CG 4.39Å; F240-Y244 VanDerWaalsContact O-CB 3.3Å; F240-Y244 WeakPolarHBondContact O-CB 3.43Å; F240-Y244 PolarHBondContact O-N 2.86Å; Y241-Y244 PolarHBondContact O-N 3.16Å; Y244-I330 HydrophobicContact CD1-CD1 3.75Å; Y244-I330 HydrophobicContact CE1-CD1 3.83Å; Y244-I330 HydrophobicContact CG-CD1 4.48Å; Y244-R407 HydrophobicContact CE1-CG 4.46Å; Y244-R407 WeakPolarHBondContact O-CG 3.45Å; Y244-R407 PolarHBondContact O-NE 3.15Å; Y244-R407 PolarHBondContact O-NH2 2.96Å; Y244-L410 HydrophobicContact CE1-CD2 4.48Å
245F96.1Very high97.9Very high1 Ų130.1 Ų30.10%0.00416%0.163CC..Hα-helixtrans-81.8-17.4177-53.9-47.7000113.3Y241 E243 W307 F308 I330 L410 S411 L414Y241-F245 AromaticContact CD1-CE2 3.54Å; Y241-F245 HydrophobicContact CD1-CE2 3.54Å; Y241-F245 AromaticContact CD1-CZ 3.74Å; Y241-F245 HydrophobicContact CD1-CZ 3.74Å; Y241-F245 HydrophobicContact CE1-CZ 4.4Å; Y241-F245 AromaticContact CG-CE2 3.94Å; Y241-F245 HydrophobicContact CG-CE2 3.94Å; Y241-F245 WeakPolarHBondContact O-CD2 3.38Å; Y241-F245 WeakPolarHBondContact O-CG 3.39Å; Y241-F245 PolarHBondContact O-N 3Å; E243-F245 PolarHBondContact O-N 3.04Å; F245-W307 HydrophobicContact CD2-CB 4.03Å; F245-W307 AromaticContact CD2-CD1 3.72Å; F245-W307 AromaticContact CD2-CD2 3.63Å; F245-W307 HydrophobicContact CD2-CD2 3.63Å; F245-W307 AromaticContact CD2-CE2 3.93Å; F245-W307 HydrophobicContact CD2-CE3 4.2Å; F245-W307 AromaticContact CD2-CG 3.51Å; F245-W307 HydrophobicContact CD2-CG 3.51Å; F245-W307 AromaticContact CD2-NE1 3.94Å; F245-W307 HydrophobicContact CE2-CB 4.04Å; F245-W307 AromaticContact CE2-CD2 3.91Å; F245-W307 HydrophobicContact CE2-CD2 3.91Å; F245-W307 HydrophobicContact CE2-CE3 4.07Å; F245-W307 AromaticContact CE2-CG 3.89Å; F245-W307 HydrophobicContact CE2-CG 3.89Å; F245-W307 HydrophobicContact CG-CG 4.43Å; F245-F308 HydrophobicContact CD1-CE2 4.49Å; F245-F308 HydrophobicContact CD1-CZ 4.47Å; F245-F308 AromaticContact CE1-CE2 3.58Å; F245-F308 HydrophobicContact CE1-CE2 3.58Å; F245-F308 AromaticContact CE1-CZ 3.85Å; F245-F308 HydrophobicContact CE1-CZ 3.85Å; F245-F308 HydrophobicContact CE2-CE2 4.07Å; F245-F308 HydrophobicContact CZ-CD2 4.22Å; F245-F308 AromaticContact CZ-CE2 3.34Å; F245-F308 HydrophobicContact CZ-CE2 3.34Å; F245-F308 HydrophobicContact CZ-CZ 4.08Å; F245-I330 HydrophobicContact CE1-CD1 3.52Å; F245-I330 HydrophobicContact CZ-CD1 3.36Å; F245-L410 HydrophobicContact CD1-CD2 4.13Å; F245-L410 HydrophobicContact CD1-CG 4.47Å; F245-L410 HydrophobicContact CE1-CD2 3.83Å; F245-S411 WeakPolarHBondContact O-CB 3.2Å; F245-S411 PolarHBondContact O-OG 3.38Å; F245-L414 HydrophobicContact CB-CD1 3.79Å; F245-L414 HydrophobicContact CD1-CD1 3.73Å; F245-L414 HydrophobicContact CD2-CD1 4.18Å; F245-L414 HydrophobicContact CE1-CD1 4.41Å; F245-L414 HydrophobicContact CG-CD1 3.62Å
246G96.4Very high98Very high34 Ų3429.1 Ų29.135%0.35116%0.156SC..THydrogen-bonded Turntrans69.223.2-173.200000112.9G242 E243 R415G242-G246 CarbonylContact O-C 3.55Å; G242-G246 VanDerWaalsContact O-CA 3.25Å; G242-G246 WeakPolarHBondContact O-CA 3.41Å; G242-G246 PolarHBondContact O-N 3.21Å; E243-G246 PolarHBondContact O-N 2.86Å; G246-R415 PolarHBondContact O-NH2 2.94Å
247I97.7Very high98Very high26 Ų2624.8 Ų24.813%0.13314%0.136CC..  trans-131.6111.9-178.8-58.8170.8000106.2G242 W307 L311 L414 R415G242-I247 WeakPolarHBondContact CA-O 3.48Å; G242-I247 PolarHBondContact O-N 3.43Å; G242-I247 VanDerWaalsContact O-N 3.1Å; I247-W307 VanDerWaalsContact O-CE2 3.3Å; I247-W307 VanDerWaalsContact O-CZ2 3.24Å; I247-W307 WeakPolarHBondContact O-CZ2 3.45Å; I247-W307 PolarHBondContact O-NE1 3.09Å; I247-L311 HydrophobicContact CG2-CD2 3.99Å; I247-L414 HydrophobicContact CD1-CB 3.36Å; I247-L414 HydrophobicContact CD1-CD1 4.38Å; I247-R415 HydrophobicContact CD1-CG 3.75Å; I247-R415 HydrophobicContact CG1-CG 4Å
248E96.9Very high97.9Very high149 Ų14924.8 Ų24.870%0.69614%0.136SC*.  trans-64.4153.3179.1-66.6177.3170.700111.8
249Y98.5Very high97.9Very high19 Ų1924.7 Ų24.78%0.07514%0.136CC..  trans-64.9126.4172.8176.3-110000109.8V210 L238 L251 K253 I254 W270 G271 M306V210-Y249 HydrophobicContact CG1-CD1 3.85Å; V210-Y249 HydrophobicContact CG1-CE1 3.91Å; V210-Y249 HydrophobicContact CG2-CD1 4.05Å; L238-Y249 HydrophobicContact CD1-CD1 4.29Å; L238-Y249 HydrophobicContact CD1-CD2 3.85Å; L238-Y249 HydrophobicContact CD1-CE2 4.46Å; L238-Y249 HydrophobicContact CD1-CG 3.75Å; L238-Y249 HydrophobicContact CD2-CD1 3.98Å; L238-Y249 HydrophobicContact CD2-CE1 4.49Å; L238-Y249 HydrophobicContact CD2-CG 4.19Å; L238-Y249 HydrophobicContact CG-CG 4.35Å; Y249-L251 HydrophobicContact CD1-CB 4.37Å; Y249-L251 WeakPolarHBondContact CD1-O 3.34Å; Y249-L251 HydrophobicContact CE1-CB 3.56Å; Y249-L251 HydrophobicContact CE1-CG 4.3Å; Y249-L251 WeakPolarHBondContact CE1-O 3.2Å; Y249-L251 HydrophobicContact CE2-CB 4.5Å; Y249-L251 HydrophobicContact CE2-CG 4.39Å; Y249-L251 WeakPolarHBondContact OH-CD1 3.41Å; Y249-K253 WeakPolarHBondContact CE1-O 3.44Å; Y249-K253 PolarHBondContact OH-O 3.1Å; Y249-I254 HydrophobicContact CE1-CB 4.22Å; Y249-I254 HydrophobicContact CE2-CD1 4.45Å; Y249-W270 AromaticContact CE2-NE1 3.82Å; Y249-G271 WeakPolarHBondContact OH-CA 3.46Å; Y249-M306 HydrophobicContact CD2-CB 3.89Å; Y249-M306 HydrophobicContact CD2-CG 4.04Å; Y249-M306 HydrophobicContact CE2-CB 3.91Å; Y249-M306 HydrophobicContact CE2-CG 3.68Å; Y249-M306 HydrophobicContact CE2-SD 3.75Å
250P97.6Very high97.6Very high53 Ų5324.8 Ų24.834%0.34414%0.136SC..  trans-84.8-12.4-165.831-35.7000114.8W270 Y419P250-W270 HydrophobicContact CG-CZ2 3.71Å; P250-Y419 WeakPolarHBondContact CB-OH 3.38Å
251L98.6Very high97.4Very high7 Ų725.4 Ų25.44%0.03714%0.14CC..SBendtrans-96.3149.6-176.5-49.1-171.4000111.1M164 P185 Y249 K253 W270M164-L251 HydrophobicContact CE-CD2 4.19Å; M164-L251 HydrophobicContact SD-CD1 4.01Å; M164-L251 HydrophobicContact SD-CD2 3.86Å; M164-L251 HydrophobicContact SD-CG 4.48Å; P185-L251 HydrophobicContact CG-CD2 3.47Å; P185-L251 VanDerWaalsContact CG-CD2 3.47Å; Y249-L251 HydrophobicContact CD1-CB 4.37Å; Y249-L251 WeakPolarHBondContact CD1-O 3.34Å; Y249-L251 HydrophobicContact CE1-CB 3.56Å; Y249-L251 HydrophobicContact CE1-CG 4.3Å; Y249-L251 WeakPolarHBondContact CE1-O 3.2Å; Y249-L251 HydrophobicContact CE2-CB 4.5Å; Y249-L251 HydrophobicContact CE2-CG 4.39Å; Y249-L251 WeakPolarHBondContact OH-CD1 3.41Å; L251-K253 PolarHBondContact O-N 2.87Å; L251-W270 VanDerWaalsContact CD1-CD1 3.46Å; L251-W270 HydrophobicContact CD1-CG 3.97Å
252P98.2Very high97Very high70 Ų7025.4 Ų25.446%0.45514%0.14SC..SBendtrans-71.6-12.9-18030-38000113.7P165 L211P165-P252 HydrophobicContact CG-CB 4.45Å; P165-P252 HydrophobicContact CG-CG 3.4Å; L211-P252 PolarHBondContact N-O 3.03Å
253K98.8Very high96.4Very high8 Ų825.3 Ų25.34%0.03514%0.139CC..EExtended strand (participates in β ladder)trans-147.3160.3-179.468.887.9178.1-178.90112.8S162 N163 P165 L211 Y249 L251 D255 G271S162-K253 PolarHBondContact O-NZ 3.03Å; N163-K253 WeakPolarHBondContact O-CE 3.4Å; N163-K253 PolarHBondContact O-NZ 3.36Å; P165-K253 HydrophobicContact CG-CG 3.89Å; L211-K253 HydrophobicContact CB-CB 4.02Å; L211-K253 HydrophobicContact CD2-CB 4.39Å; L211-K253 HydrophobicContact CG-CB 4.37Å; L211-K253 CarbonylContact O-C 3.5Å; L211-K253 WeakPolarHBondContact O-CA 3.24Å; L211-K253 WeakPolarHBondContact O-CB 3.49Å; Y249-K253 WeakPolarHBondContact CE1-O 3.44Å; Y249-K253 PolarHBondContact OH-O 3.1Å; L251-K253 PolarHBondContact O-N 2.87Å; K253-D255 WeakPolarHBondContact CE-OD2 3.35Å; K253-D255 IonicContact NZ-OD2 3.74Å; K253-D255 PolarHBondContact NZ-OD2 3.15Å; K253-G271 PolarHBondContact NZ-O 3.25Å
254I98.9Very high95.8Very high0 Ų021.6 Ų21.60%013%0.125CC..EExtended strand (participates in β ladder)trans-138.9124.4166-165.7167.6000109.5V210 L211 V212 R213 L238 Y249 I273 I303 M306V210-I254 HydrophobicContact CG1-CG2 4.47Å; L211-I254 PolarHBondContact O-N 2.88Å; V212-I254 WeakPolarHBondContact CA-O 3.35Å; V212-I254 HydrophobicContact CB-CG2 4.26Å; V212-I254 HydrophobicContact CG1-CG2 4.03Å; V212-I254 HydrophobicContact CG2-CG2 3.91Å; R213-I254 PolarHBondContact N-O 3.29Å; L238-I254 HydrophobicContact CD1-CD1 4.27Å; L238-I254 HydrophobicContact CD2-CG2 4.12Å; Y249-I254 HydrophobicContact CE1-CB 4.22Å; Y249-I254 HydrophobicContact CE2-CD1 4.45Å; I254-I273 HydrophobicContact CD1-CD1 3.74Å; I254-I273 HydrophobicContact CG1-CD1 4.15Å; I254-I303 HydrophobicContact CD1-CG1 4.3Å; I254-M306 HydrophobicContact CD1-CG 4.16Å; I254-M306 HydrophobicContact CD1-SD 4.11Å
255D98.9Very high95.6Very high6 Ų621.6 Ų21.63%0.03214%0.135CC..EExtended strand (participates in β ladder)trans-107.9137.7178-62.8-28.9000109.3R213 Y215 K253 G271 L272 I273R213-D255 WeakPolarHBondContact CB-OD1 3.34Å; R213-D255 CarbonylContact O-C 3.56Å; R213-D255 WeakPolarHBondContact O-CA 3.3Å; Y215-D255 HydrophobicContact CD2-CB 3.96Å; Y215-D255 HydrophobicContact CE2-CB 3.97Å; K253-D255 WeakPolarHBondContact CE-OD2 3.35Å; K253-D255 IonicContact NZ-OD2 3.74Å; K253-D255 PolarHBondContact NZ-OD2 3.15Å; D255-G271 PolarHBondContact N-O 3.03Å; D255-L272 HydrophobicContact CB-CD1 3.76Å; D255-L272 CarbonylContact O-C 3.52Å; D255-L272 WeakPolarHBondContact O-CA 3.2Å; D255-I273 PolarHBondContact O-N 3.36Å
256L98.9Very high95.7Very high0 Ų022.4 Ų22.40%014%0.141CC..EExtended strand (participates in β ladder)trans-115.4110.2174.6-6878.1000108V212 R213 V214 Y215 A234 I273 F275 L280 I299V212-L256 HydrophobicContact CG1-CD1 4.2Å; R213-L256 PolarHBondContact O-N 2.91Å; V214-L256 CarbonylContact C-O 3.47Å; V214-L256 WeakPolarHBondContact CA-O 3.41Å; V214-L256 HydrophobicContact CG2-CB 4.39Å; Y215-L256 PolarHBondContact N-O 3.01Å; A234-L256 HydrophobicContact CB-CD1 4.03Å; A234-L256 HydrophobicContact CB-CD2 4.03Å; L256-I273 CarbonylContact C-O 3.57Å; L256-I273 WeakPolarHBondContact CA-O 3.4Å; L256-F275 HydrophobicContact CB-CD2 4.21Å; L256-F275 HydrophobicContact CB-CE2 3.7Å; L256-F275 HydrophobicContact CD2-CE2 3.72Å; L256-F275 HydrophobicContact CD2-CZ 3.81Å; L256-F275 HydrophobicContact CG-CE2 3.69Å; L256-F275 HydrophobicContact CG-CZ 4.22Å; L256-L280 HydrophobicContact CB-CD1 3.97Å; L256-L280 HydrophobicContact CB-CD2 4.03Å; L256-L280 HydrophobicContact CD2-CD1 3.73Å; L256-I299 HydrophobicContact CD2-CD1 4.28Å; L256-I299 HydrophobicContact CD2-CG1 4.12Å; L256-I299 HydrophobicContact CD2-CG2 4.05Å
257L98.8Very high95.7Very high0 Ų020.8 Ų20.80%013%0.125CC..EExtended strand (participates in β ladder)trans-101.5120.3-176.6173.665.5000111.3I161 A195 L199 V259 L272 I273 T274 F275I161-L257 HydrophobicContact CD1-CB 4.5Å; I161-L257 HydrophobicContact CD1-CD1 4.33Å; I161-L257 HydrophobicContact CD1-CD2 4.3Å; A195-L257 HydrophobicContact CB-CD2 3.46Å; A195-L257 VanDerWaalsContact CB-CD2 3.46Å; L199-L257 HydrophobicContact CD1-CD1 4.39Å; L199-L257 HydrophobicContact CD2-CD1 3.91Å; L257-V259 HydrophobicContact CD2-CG2 3.89Å; L257-V259 HydrophobicContact CG-CG2 3.88Å; L257-V259 PolarHBondContact O-N 3.28Å; L257-L272 HydrophobicContact CB-CD1 4.08Å; L257-I273 PolarHBondContact N-O 2.93Å; L257-T274 HydrophobicContact CB-CG2 4.29Å; L257-T274 HydrophobicContact CD2-CG2 4.12Å; L257-T274 CarbonylContact O-C 3.6Å; L257-T274 WeakPolarHBondContact O-CA 3.24Å; L257-F275 PolarHBondContact O-N 3.03Å
258A98.1Very high95.8Very high0 Ų019.7 Ų19.70%012%0.119CC..EExtended strand (participates in β ladder)trans-76.7115.1165.400000110.4Y215 E277 L280 L281Y215-A258 PolarHBondContact O-N 3Å; A258-E277 HydrophobicContact CB-CG 4.2Å; A258-L280 HydrophobicContact CB-CD2 3.91Å; A258-L281 HydrophobicContact CB-CD1 3.62Å; A258-L281 HydrophobicContact CB-CD2 4.15Å; A258-L281 HydrophobicContact CB-CG 3.79Å
259V96.8Very high95.9Very high0 Ų012.6 Ų12.60%09%0.086CC..EExtended strand (participates in β ladder)trans-103.2126.8177.2-167.30000109.6L122 L257 N261 M262 T274 F275L122-V259 HydrophobicContact CD2-CG1 4.11Å; L257-V259 HydrophobicContact CD2-CG2 3.89Å; L257-V259 HydrophobicContact CG-CG2 3.88Å; L257-V259 PolarHBondContact O-N 3.28Å; V259-N261 VanDerWaalsContact C-N 3.31Å; V259-N261 WeakPolarHBondContact CG1-O 3.28Å; V259-N261 PolarHBondContact O-N 3.19Å; V259-M262 HydrophobicContact CB-CB 4.48Å; V259-T274 HydrophobicContact CG2-CG2 4.06Å; V259-F275 PolarHBondContact N-O 3.24Å
260P93.7Very high95.9Very high1 Ų111.8 Ų11.81%0.0068%0.083CC..SBendtrans-61.5-35-179.3-24.132.5000114.3S111 Y113 K781 Q783S111-P260 WeakPolarHBondContact OG-CB 3.33Å; S111-P260 WeakPolarHBondContact OG-CD 3.34Å; Y113-P260 HydrophobicContact CD1-CG 3.99Å; Y113-P260 HydrophobicContact CG-CG 4.45Å; P260-K781 WeakPolarHBondContact O-CD 3.41Å; P260-K781 PolarHBondContact O-NZ 3.01Å; P260-Q783 PolarHBondContact O-NE2 3.01Å
261N92.1Very high95.9Very high30 Ų309.2 Ų9.216%0.167%0.066CC..SBendtrans-123119.7175.7-52.284.8000109.4M105 Y109 S111 S112 V259 Q783M105-N261 HydrophobicContact CG-CB 4.31Å; M105-N261 HydrophobicContact SD-CB 4.28Å; Y109-N261 VanDerWaalsContact CE2-O 3.26Å; Y109-N261 WeakPolarHBondContact CE2-O 3.18Å; Y109-N261 PolarHBondContact OH-O 3.27Å; S111-N261 WeakPolarHBondContact CA-OD1 3.3Å; S111-N261 WeakPolarHBondContact OG-CB 3.48Å; S111-N261 PolarHBondContact OG-N 2.76Å; S111-N261 PolarHBondContact OG-OD1 2.87Å; S112-N261 PolarHBondContact N-OD1 3.34Å; S112-N261 PolarHBondContact O-OD1 2.85Å; S112-N261 VanDerWaalsContact O-OD1 3.1Å; V259-N261 VanDerWaalsContact C-N 3.31Å; V259-N261 WeakPolarHBondContact CG1-O 3.28Å; V259-N261 PolarHBondContact O-N 3.19Å; N261-Q783 VanDerWaalsContact CA-OE1 3.25Å
262M91.3Very high96Very high0 Ų09 Ų90%07%0.065CC..  trans-152.2134178.5-174.9172.5-176.800109.9M105 V259 A266 M267 T274 F275 R276 Q783M105-M262 PolarHBondContact SD-N 2.95Å; V259-M262 HydrophobicContact CB-CB 4.48Å; M262-A266 WeakPolarHBondContact CE-O 3.13Å; M262-M267 HydrophobicContact CE-CB 3.56Å; M262-T274 WeakPolarHBondContact CE-OG1 3.31Å; M262-F275 VanDerWaalsContact SD-C 3.58Å; M262-R276 HydrophobicContact CB-CG 3.92Å; M262-R276 PolarHBondContact O-NE 2.64Å; M262-Q783 PolarHBondContact O-OE1 2.88Å
263C84Confident96Very high4 Ų45.6 Ų5.63%0.0274%0.043CC..SBendtrans-66-61.718064.80000108.9M105 H126 R276 F822M105-C263 HydrophobicContact CB-CB 3.69Å; M105-C263 HydrophobicContact CE-CB 4.06Å; M105-C263 PolarHBondContact O-SG 2.82Å; M105-C263 HydrophobicContact SD-CB 4.31Å; M105-C263 PolarHBondContact SD-N 3.42Å; M105-C263 VanDerWaalsContact SD-N 3.39Å; H126-C263 VanDerWaalsContact CD2-SG 3.53Å; H126-C263 PolarHBondContact NE2-SG 3.01Å; H126-C263 VanDerWaalsContact NE2-SG 3.41Å; C263-R276 PolarHBondContact O-NH2 3Å; C263-F822 VanDerWaalsContact CA-CZ 3.43Å; C263-F822 HydrophobicContact CB-CE1 3.46Å; C263-F822 VanDerWaalsContact CB-CE1 3.46Å; C263-F822 HydrophobicContact CB-CZ 3.32Å; C263-F822 WeakPolarHBondContact O-CE2 3.38Å; C263-F822 WeakPolarHBondContact O-CZ 3.22Å
264G85.5Confident96Very high15 Ų155.3 Ų5.316%0.1554%0.042CC..SBendtrans-70-179.2-179.500000113.3R276G264-R276 WeakPolarHBondContact O-CD 3.13Å; G264-R276 VanDerWaalsContact O-CG 3.28Å; G264-R276 WeakPolarHBondContact O-CG 2.77Å; G264-R276 PolarHBondContact O-NE 3.42Å
265G92Very high96Very high31 Ų315.3 Ų5.332%0.324%0.042SC..SBendtrans-72.9-48.9168.700000111.4R276 L279G265-R276 PolarHBondContact O-N 3.39Å; G265-L279 VanDerWaalsContact CA-CD1 3.46Å; G265-L279 WeakPolarHBondContact O-CD1 3.39Å
266A97.7Very high95.8Very high17 Ų175.4 Ų5.414%0.144%0.042CC..EExtended strand (participates in β ladder)trans-153.2179.817500000109.8M262 T274 F275 V298 E302M262-A266 WeakPolarHBondContact CE-O 3.13Å; A266-T274 CarbonylContact C-O 3.54Å; A266-T274 WeakPolarHBondContact CA-O 3.23Å; A266-T274 WeakPolarHBondContact CB-O 3.5Å; A266-F275 HydrophobicContact CB-CB 4.46Å; A266-F275 HydrophobicContact CB-CD1 3.48Å; A266-F275 VanDerWaalsContact CB-CD1 3.48Å; A266-F275 HydrophobicContact CB-CE1 3.82Å; A266-F275 HydrophobicContact CB-CG 3.98Å; A266-V298 HydrophobicContact CB-CG1 3.75Å; A266-E302 VanDerWaalsContact CB-CD 3.43Å; A266-E302 HydrophobicContact CB-CG 3.54Å; A266-E302 WeakPolarHBondContact CB-OE1 3.31Å
267M98Very high95.6Very high1 Ų15.8 Ų5.81%0.0054%0.044CC..EExtended strand (participates in β ladder)trans-155130.3178.917369.1-147.700109.7E128 Y190 L191 M262 N269 I273 T274 E302E128-M267 HydrophobicContact CB-CE 3.8Å; E128-M267 HydrophobicContact CB-SD 3.58Å; E128-M267 VanDerWaalsContact CB-SD 3.58Å; Y190-M267 HydrophobicContact CD2-CE 3.64Å; Y190-M267 HydrophobicContact CE2-CE 3.68Å; L191-M267 HydrophobicContact CD2-CE 4.06Å; M262-M267 HydrophobicContact CE-CB 3.56Å; M267-N269 VanDerWaalsContact C-N 3.26Å; M267-N269 WeakPolarHBondContact CG-OD1 3.27Å; M267-N269 PolarHBondContact O-N 2.7Å; M267-N269 PolarHBondContact O-ND2 3.09Å; M267-I273 WeakPolarHBondContact O-CA 3.47Å; M267-I273 VanDerWaalsContact O-CG2 3.26Å; M267-I273 WeakPolarHBondContact O-CG2 3.1Å; M267-T274 PolarHBondContact N-O 2.84Å; M267-T274 PolarHBondContact O-N 3.02Å; M267-E302 VanDerWaalsContact C-OE2 3.24Å; M267-E302 PolarHBondContact N-OE2 3.07Å
268E98.6Very high95.3Very high3 Ų38.6 Ų8.61%0.0145%0.054CC..  trans-83.126.1-164.475-88.9-172.100116.2Y190 L191 W270 E302 H305 M306 N310 K323Y190-E268 VanDerWaalsContact CE2-OE1 3.28Å; Y190-E268 WeakPolarHBondContact CE2-OE1 3.38Å; Y190-E268 PolarHBondContact OH-OE1 2.81Å; L191-E268 HydrophobicContact CD2-CG 3.82Å; E268-W270 PolarHBondContact O-N 3.3Å; E268-W270 VanDerWaalsContact O-N 3.15Å; E268-E302 WeakPolarHBondContact CA-OE2 2.99Å; E268-E302 WeakPolarHBondContact CB-OE2 3.47Å; E268-E302 PolarHBondContact N-OE2 3.32Å; E268-E302 VanDerWaalsContact N-OE2 3.07Å; E268-H305 HydrophobicContact CB-CB 3.42Å; E268-H305 VanDerWaalsContact CB-CB 3.42Å; E268-H305 HydrophobicContact CG-CB 3.47Å; E268-H305 VanDerWaalsContact CG-CB 3.47Å; E268-H305 IonicContact OE2-CD2 3.62Å; E268-M306 HydrophobicContact CB-CE 3.98Å; E268-M306 WeakPolarHBondContact O-CE 3.11Å; E268-N310 WeakPolarHBondContact CG-OD1 3.22Å; E268-N310 PolarHBondContact O-ND2 3.19Å; E268-K323 WeakPolarHBondContact OE1-CE 3.41Å; E268-K323 IonicContact OE1-NZ 2.73Å; E268-K323 PolarHBondContact OE1-NZ 3.27Å; E268-K323 WeakPolarHBondContact OE2-CE 3.39Å; E268-K323 IonicContact OE2-NZ 2.85Å; E268-K323 PolarHBondContact OE2-NZ 2.85Å
269N98.8Very high95.2Very high0 Ų09.1 Ų9.10%06%0.057CC..  trans-51129.8-169.1-30.1-83.9000110.6L191 A193 M267 G271 L272 T274L191-N269 WeakPolarHBondContact O-CB 3.3Å; A193-N269 HydrophobicContact CB-CB 3.32Å; A193-N269 VanDerWaalsContact CB-CG 3.49Å; M267-N269 VanDerWaalsContact C-N 3.26Å; M267-N269 WeakPolarHBondContact CG-OD1 3.27Å; M267-N269 PolarHBondContact O-N 2.7Å; M267-N269 PolarHBondContact O-ND2 3.09Å; N269-G271 PolarHBondContact O-N 3.28Å; N269-L272 VanDerWaalsContact CB-O 3.24Å; N269-L272 WeakPolarHBondContact CB-O 3.4Å; N269-L272 PolarHBondContact ND2-O 2.89Å; N269-L272 CarbonylContact O-C 3.55Å; N269-L272 PolarHBondContact O-N 3.31Å; N269-T274 PolarHBondContact ND2-OG1 3.15Å
270W98.8Very high95.3Very high1 Ų19.1 Ų9.10%0.0046%0.057CC..THydrogen-bonded Turntrans-63.6112.3-160.4-157.6-7.7000111.5N163 M187 Y249 P250 L251 E268 L272 N310 L311 Y419N163-W270 VanDerWaalsContact CA-O 3.32Å; N163-W270 WeakPolarHBondContact CA-O 3.45Å; N163-W270 WeakPolarHBondContact CB-O 3.32Å; N163-W270 PolarHBondContact ND2-N 2.96Å; N163-W270 PolarHBondContact ND2-O 3.16Å; M187-W270 HydrophobicContact CB-CE3 3.55Å; M187-W270 HydrophobicContact CB-CZ3 3.73Å; M187-W270 HydrophobicContact CG-CE3 4.45Å; M187-W270 HydrophobicContact SD-CB 4.18Å; M187-W270 HydrophobicContact SD-CE3 4.12Å; Y249-W270 AromaticContact CE2-NE1 3.82Å; P250-W270 HydrophobicContact CG-CZ2 3.71Å; L251-W270 VanDerWaalsContact CD1-CD1 3.46Å; L251-W270 HydrophobicContact CD1-CG 3.97Å; E268-W270 PolarHBondContact O-N 3.3Å; E268-W270 VanDerWaalsContact O-N 3.15Å; W270-L272 VanDerWaalsContact C-N 3.3Å; W270-L272 PolarHBondContact O-N 3.43Å; W270-N310 WeakPolarHBondContact CA-ND2 3.31Å; W270-N310 HydrophobicContact CB-CB 4.41Å; W270-N310 WeakPolarHBondContact CB-ND2 3.45Å; W270-N310 HydrophobicContact CD2-CB 3.65Å; W270-N310 HydrophobicContact CE3-CB 3.84Å; W270-N310 HydrophobicContact CG-CB 3.92Å; W270-N310 HydrophobicContact CZ2-CB 4.35Å; W270-N310 HydrophobicContact CZ3-CB 4.29Å; W270-N310 WeakPolarHBondContact CZ3-O 3.23Å; W270-L311 HydrophobicContact CH2-CB 4.33Å; W270-L311 HydrophobicContact CH2-CD1 4.16Å; W270-L311 HydrophobicContact CZ2-CB 4.33Å; W270-L311 HydrophobicContact CZ2-CD1 4.36Å; W270-Y419 AromaticContact CH2-CD1 3.9Å; W270-Y419 HydrophobicContact CH2-CD1 3.9Å; W270-Y419 AromaticContact CH2-CE1 3.72Å; W270-Y419 HydrophobicContact CH2-CE1 3.72Å; W270-Y419 HydrophobicContact CZ2-CE1 4.34Å
271G98.7Very high95.4Very high0 Ų09.1 Ų9.10%06%0.057CC..THydrogen-bonded Turntrans82.2-7.2-175.800000115.7Y249 K253 D255 N269Y249-G271 WeakPolarHBondContact OH-CA 3.46Å; K253-G271 PolarHBondContact NZ-O 3.25Å; D255-G271 PolarHBondContact N-O 3.03Å; N269-G271 PolarHBondContact O-N 3.28Å
272L98.9Very high95.5Very high1 Ų17.9 Ų7.91%0.0055%0.05CC..EExtended strand (participates in β ladder)trans-139.779.3173.3178.457.7000110.3I161 A193 D255 L257 N269 W270I161-L272 HydrophobicContact CD1-CD1 3.58Å; I161-L272 HydrophobicContact CD1-CD2 4.38Å; I161-L272 HydrophobicContact CG1-CD1 4.08Å; I161-L272 HydrophobicContact CG1-CD2 3.99Å; A193-L272 HydrophobicContact CB-CB 4.48Å; A193-L272 HydrophobicContact CB-CD2 4.14Å; A193-L272 HydrophobicContact CB-CG 4.46Å; D255-L272 HydrophobicContact CB-CD1 3.76Å; D255-L272 CarbonylContact O-C 3.52Å; D255-L272 WeakPolarHBondContact O-CA 3.2Å; L257-L272 HydrophobicContact CB-CD1 4.08Å; N269-L272 VanDerWaalsContact CB-O 3.24Å; N269-L272 WeakPolarHBondContact CB-O 3.4Å; N269-L272 PolarHBondContact ND2-O 2.89Å; N269-L272 CarbonylContact O-C 3.55Å; N269-L272 PolarHBondContact O-N 3.31Å; W270-L272 VanDerWaalsContact C-N 3.3Å; W270-L272 PolarHBondContact O-N 3.43Å
273I98.9Very high95.4Very high0 Ų010.4 Ų10.40%06%0.064CC..EExtended strand (participates in β ladder)trans-75.1132.2179-54.1169.5000108.6I254 D255 L256 L257 M267 F275 E302 I303 M306I254-I273 HydrophobicContact CD1-CD1 3.74Å; I254-I273 HydrophobicContact CG1-CD1 4.15Å; D255-I273 PolarHBondContact O-N 3.36Å; L256-I273 CarbonylContact C-O 3.57Å; L256-I273 WeakPolarHBondContact CA-O 3.4Å; L257-I273 PolarHBondContact N-O 2.93Å; M267-I273 WeakPolarHBondContact O-CA 3.47Å; M267-I273 VanDerWaalsContact O-CG2 3.26Å; M267-I273 WeakPolarHBondContact O-CG2 3.1Å; I273-F275 HydrophobicContact CB-CD2 4.5Å; I273-F275 HydrophobicContact CB-CE2 3.66Å; I273-F275 HydrophobicContact CB-CZ 4.22Å; I273-F275 HydrophobicContact CG2-CD2 3.93Å; I273-F275 HydrophobicContact CG2-CE1 4.31Å; I273-F275 HydrophobicContact CG2-CE2 3.15Å; I273-F275 HydrophobicContact CG2-CZ 3.39Å; I273-E302 HydrophobicContact CD1-CB 3.93Å; I273-E302 HydrophobicContact CG1-CB 4.48Å; I273-E302 HydrophobicContact CG2-CB 3.53Å; I273-E302 HydrophobicContact CG2-CG 3.66Å; I273-I303 HydrophobicContact CD1-CG1 4.06Å; I273-M306 HydrophobicContact CD1-CE 3.89Å; I273-M306 HydrophobicContact CG1-CE 3.87Å
274T98.7Very high95.7Very high1 Ų112.4 Ų12.41%0.0068%0.077CC..EExtended strand (participates in β ladder)trans-104.3144.5175.452.80000111L257 V259 M262 A266 M267 N269L257-T274 HydrophobicContact CB-CG2 4.29Å; L257-T274 HydrophobicContact CD2-CG2 4.12Å; L257-T274 CarbonylContact O-C 3.6Å; L257-T274 WeakPolarHBondContact O-CA 3.24Å; V259-T274 HydrophobicContact CG2-CG2 4.06Å; M262-T274 WeakPolarHBondContact CE-OG1 3.31Å; A266-T274 CarbonylContact C-O 3.54Å; A266-T274 WeakPolarHBondContact CA-O 3.23Å; A266-T274 WeakPolarHBondContact CB-O 3.5Å; M267-T274 PolarHBondContact N-O 2.84Å; M267-T274 PolarHBondContact O-N 3.02Å; N269-T274 PolarHBondContact ND2-OG1 3.15Å
275F98.5Very high95.8Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-136.4149.8-178.1-63.8-101.7000110.5L256 L257 V259 M262 A266 I273 L280 V298 I299 E302L256-F275 HydrophobicContact CB-CD2 4.21Å; L256-F275 HydrophobicContact CB-CE2 3.7Å; L256-F275 HydrophobicContact CD2-CE2 3.72Å; L256-F275 HydrophobicContact CD2-CZ 3.81Å; L256-F275 HydrophobicContact CG-CE2 3.69Å; L256-F275 HydrophobicContact CG-CZ 4.22Å; L257-F275 PolarHBondContact O-N 3.03Å; V259-F275 PolarHBondContact N-O 3.24Å; M262-F275 VanDerWaalsContact SD-C 3.58Å; A266-F275 HydrophobicContact CB-CB 4.46Å; A266-F275 HydrophobicContact CB-CD1 3.48Å; A266-F275 VanDerWaalsContact CB-CD1 3.48Å; A266-F275 HydrophobicContact CB-CE1 3.82Å; A266-F275 HydrophobicContact CB-CG 3.98Å; I273-F275 HydrophobicContact CB-CD2 4.5Å; I273-F275 HydrophobicContact CB-CE2 3.66Å; I273-F275 HydrophobicContact CB-CZ 4.22Å; I273-F275 HydrophobicContact CG2-CD2 3.93Å; I273-F275 HydrophobicContact CG2-CE1 4.31Å; I273-F275 HydrophobicContact CG2-CE2 3.15Å; I273-F275 HydrophobicContact CG2-CZ 3.39Å; F275-L280 HydrophobicContact CB-CB 3.8Å; F275-L280 HydrophobicContact CB-CD2 4.21Å; F275-L280 HydrophobicContact CB-CG 4.45Å; F275-L280 HydrophobicContact CD1-CB 4.47Å; F275-L280 HydrophobicContact CD1-CD1 4.28Å; F275-L280 HydrophobicContact CD2-CD1 3.88Å; F275-L280 HydrophobicContact CD2-CD2 3.87Å; F275-L280 HydrophobicContact CD2-CG 4.32Å; F275-L280 HydrophobicContact CE1-CD1 4.39Å; F275-L280 HydrophobicContact CE2-CD1 3.98Å; F275-L280 HydrophobicContact CG-CB 4.05Å; F275-L280 HydrophobicContact CG-CD1 4.04Å; F275-L280 HydrophobicContact CG-CD2 4.21Å; F275-L280 HydrophobicContact CG-CG 4.34Å; F275-L280 HydrophobicContact CZ-CD1 4.25Å; F275-V298 HydrophobicContact CD1-CG1 3.99Å; F275-V298 HydrophobicContact CE1-CG1 3.89Å; F275-I299 HydrophobicContact CE1-CG1 3.83Å; F275-I299 HydrophobicContact CZ-CG1 4Å; F275-E302 HydrophobicContact CE1-CB 4.46Å; F275-E302 HydrophobicContact CE1-CG 3.75Å; F275-E302 HydrophobicContact CZ-CB 4.12Å; F275-E302 HydrophobicContact CZ-CG 3.83Å
276R94.9Very high95.6Very high9 Ų919.6 Ų19.63%0.03410%0.101CC..EExtended strand (participates in β ladder)trans-59.4140.3156.2-72.7-178.2179.1-156.310109.6M262 C263 G264 G265 R278 L279 D784 H787M262-R276 HydrophobicContact CB-CG 3.92Å; M262-R276 PolarHBondContact O-NE 2.64Å; C263-R276 PolarHBondContact O-NH2 3Å; G264-R276 WeakPolarHBondContact O-CD 3.13Å; G264-R276 VanDerWaalsContact O-CG 3.28Å; G264-R276 WeakPolarHBondContact O-CG 2.77Å; G264-R276 PolarHBondContact O-NE 3.42Å; G265-R276 PolarHBondContact O-N 3.39Å; R276-R278 HydrophobicContact CB-CG 4.49Å; R276-R278 PolarHBondContact O-N 3.18Å; R276-R278 VanDerWaalsContact O-N 3.1Å; R276-L279 HydrophobicContact CB-CD1 4.44Å; R276-L279 PolarHBondContact O-N 3.37Å; R276-D784 IonicContact NH1-OD1 2.7Å; R276-H787 PolarHBondContact NH1-NE2 3.07Å
277E94.7Very high95.3Very high8 Ų819.7 Ų19.74%0.03710%0.099CC..G310 helixtrans-46.6-46.1178.4-71.4178.8137.700112.7R217 A258 L279 L280 L281 P735 K781R217-E277 IonicContact CZ-OE1 3.35Å; R217-E277 IonicContact NE-OE1 3.81Å; R217-E277 PolarHBondContact NE-OE1 2.78Å; R217-E277 IonicContact NH2-OE1 3.6Å; R217-E277 PolarHBondContact NH2-OE1 2.8Å; R217-E277 IonicContact NH2-OE2 3.04Å; A258-E277 HydrophobicContact CB-CG 4.2Å; E277-L279 PolarHBondContact O-N 2.92Å; E277-L279 VanDerWaalsContact O-N 3.16Å; E277-L280 PolarHBondContact O-N 3.5Å; E277-L280 VanDerWaalsContact O-N 3.16Å; E277-L281 HydrophobicContact CB-CD1 4.32Å; E277-L281 HydrophobicContact CG-CD1 4.3Å; E277-L281 WeakPolarHBondContact O-CB 3.28Å; E277-L281 PolarHBondContact O-N 3.45Å; E277-P735 HydrophobicContact CB-CB 4.1Å; E277-P735 HydrophobicContact CB-CG 3.93Å; E277-K781 IonicContact OE2-NZ 3.55Å; E277-K781 PolarHBondContact OE2-NZ 3.2Å
278R93Very high95.1Very high59 Ų5919.9 Ų19.922%0.22310%0.1CC..G310 helixtrans-66.9-14-178.573.8174.1-17976.31.6115.5R276 P735R276-R278 HydrophobicContact CB-CG 4.49Å; R276-R278 PolarHBondContact O-N 3.18Å; R276-R278 VanDerWaalsContact O-N 3.1Å; R278-P735 HydrophobicContact CB-CB 3.95Å
279L96.8Very high94.8Very high11 Ų1120.8 Ų20.86%0.05811%0.106CC..G310 helixtrans-102.73.4179.5-66.8177.1000112.4G265 R276 E277 A294 V298G265-L279 VanDerWaalsContact CA-CD1 3.46Å; G265-L279 WeakPolarHBondContact O-CD1 3.39Å; R276-L279 HydrophobicContact CB-CD1 4.44Å; R276-L279 PolarHBondContact O-N 3.37Å; E277-L279 PolarHBondContact O-N 2.92Å; E277-L279 VanDerWaalsContact O-N 3.16Å; L279-A294 HydrophobicContact CD2-CB 4.07Å; L279-V298 HydrophobicContact CD1-CG1 4.47Å; L279-V298 HydrophobicContact CD1-CG2 4.41Å; L279-V298 HydrophobicContact CD2-CG2 4.21Å
280L97.7Very high94.6Very high0 Ų023.3 Ų23.30%013%0.127CC..THydrogen-bonded Turntrans-133-32.9177.4-167.368000113V214 A230 L256 A258 F275 E277 I299V214-L280 HydrophobicContact CG1-CD2 3.92Å; V214-L280 HydrophobicContact CG1-CG 4.17Å; A230-L280 HydrophobicContact CB-CD1 3.58Å; A230-L280 HydrophobicContact CB-CG 4.09Å; A230-L280 WeakPolarHBondContact CB-O 3.46Å; L256-L280 HydrophobicContact CB-CD1 3.97Å; L256-L280 HydrophobicContact CB-CD2 4.03Å; L256-L280 HydrophobicContact CD2-CD1 3.73Å; A258-L280 HydrophobicContact CB-CD2 3.91Å; F275-L280 HydrophobicContact CB-CB 3.8Å; F275-L280 HydrophobicContact CB-CD2 4.21Å; F275-L280 HydrophobicContact CB-CG 4.45Å; F275-L280 HydrophobicContact CD1-CB 4.47Å; F275-L280 HydrophobicContact CD1-CD1 4.28Å; F275-L280 HydrophobicContact CD2-CD1 3.88Å; F275-L280 HydrophobicContact CD2-CD2 3.87Å; F275-L280 HydrophobicContact CD2-CG 4.32Å; F275-L280 HydrophobicContact CE1-CD1 4.39Å; F275-L280 HydrophobicContact CE2-CD1 3.98Å; F275-L280 HydrophobicContact CG-CB 4.05Å; F275-L280 HydrophobicContact CG-CD1 4.04Å; F275-L280 HydrophobicContact CG-CD2 4.21Å; F275-L280 HydrophobicContact CG-CG 4.34Å; F275-L280 HydrophobicContact CZ-CD1 4.25Å; E277-L280 PolarHBondContact O-N 3.5Å; E277-L280 VanDerWaalsContact O-N 3.16Å; L280-I299 HydrophobicContact CD1-CD1 3.91Å; L280-I299 HydrophobicContact CD1-CG1 4.13Å
281L96.1Very high94.4Very high0 Ų024 Ų240%013%0.132CC..  trans-110121.5-171.6-53.8-177.1000110.9V214 L220 L221 Q226 A258 E277V214-L281 HydrophobicContact CG1-CD2 4.25Å; L220-L281 HydrophobicContact CB-CD1 4.23Å; L220-L281 HydrophobicContact CD1-CD1 3.61Å; L221-L281 HydrophobicContact CD2-CD2 3.73Å; Q226-L281 HydrophobicContact CB-CB 4Å; Q226-L281 WeakPolarHBondContact O-CA 3.24Å; A258-L281 HydrophobicContact CB-CD1 3.62Å; A258-L281 HydrophobicContact CB-CD2 4.15Å; A258-L281 HydrophobicContact CB-CG 3.79Å; E277-L281 HydrophobicContact CB-CD1 4.32Å; E277-L281 HydrophobicContact CG-CD1 4.3Å; E277-L281 WeakPolarHBondContact O-CB 3.28Å; E277-L281 PolarHBondContact O-N 3.45Å
282A93.4Very high94.3Very high4 Ų426.1 Ų26.13%0.03314%0.141CC..  trans-156147.6169.800000110.7Q226 P284 M287 T291 I295Q226-A282 CarbonylContact C-O 3.59Å; Q226-A282 WeakPolarHBondContact CA-O 3.07Å; Q226-A282 PolarHBondContact O-N 3.29Å; A282-P284 VanDerWaalsContact O-CD 3.31Å; A282-P284 WeakPolarHBondContact O-CD 3.26Å; A282-M287 HydrophobicContact CB-CB 4.02Å; A282-M287 HydrophobicContact CB-CE 4.06Å; A282-T291 HydrophobicContact CB-CG2 3.84Å; A282-I295 HydrophobicContact CB-CD1 3.55Å
283N90.8Very high94.1Very high54 Ų5426.8 Ų26.829%0.28914%0.144SC..  trans-71.6120.7173.4179.5-24.3000109.8H285 T286 M287N283-H285 PolarHBondContact O-N 3.37Å; N283-H285 PolarHBondContact OD1-N 3.13Å; N283-T286 WeakPolarHBondContact CB-OG1 3.23Å; N283-T286 PolarHBondContact O-N 3.1Å; N283-T286 VanDerWaalsContact O-N 3.15Å; N283-M287 WeakPolarHBondContact O-CB 3.38Å; N283-M287 PolarHBondContact O-N 2.8Å
284P90Very high94Very high45 Ų4528.2 Ų28.229%0.29216%0.155SC..THydrogen-bonded Turntrans-57.5-23.2-178.1-23.832.6000115.9S228 F229 A282 M287S228-P284 WeakPolarHBondContact OG-CG 3.41Å; F229-P284 HydrophobicContact CB-CG 4.37Å; A282-P284 VanDerWaalsContact O-CD 3.31Å; A282-P284 WeakPolarHBondContact O-CD 3.26Å; P284-M287 HydrophobicContact CB-CE 4.34Å
285H86.5Confident94Very high153 Ų15328.1 Ų28.171%0.70816%0.155SC*.THydrogen-bonded Turntrans-90-24.4-178.2-60.5-66.2000113.3N283 N703N283-H285 PolarHBondContact O-N 3.37Å; N283-H285 PolarHBondContact OD1-N 3.13Å; H285-N703 PolarHBondContact O-ND2 2.88Å
286T88Confident94Very high44 Ų4428.1 Ų28.127%0.2716%0.155SC..THydrogen-bonded Turntrans-119.4-1.9-17361.60000114.3N283 N703 R706N283-T286 WeakPolarHBondContact CB-OG1 3.23Å; N283-T286 PolarHBondContact O-N 3.1Å; N283-T286 VanDerWaalsContact O-N 3.15Å; T286-N703 VanDerWaalsContact C-CG 3.46Å; T286-N703 VanDerWaalsContact C-ND2 3.35Å; T286-N703 VanDerWaalsContact CA-ND2 3.29Å; T286-N703 WeakPolarHBondContact CA-ND2 3.45Å; T286-N703 WeakPolarHBondContact O-CB 3.48Å; T286-N703 PolarHBondContact O-ND2 3.32Å; T286-N703 PolarHBondContact O-OD1 2.77Å; T286-R706 PolarHBondContact O-NH2 3.12Å
287M91.8Very high94.1Very high19 Ų1928.4 Ų28.49%0.09416%0.158CC..  trans-63139.7177.868.7168.974.600111.7F229 A282 N283 P284 T291 K292F229-M287 HydrophobicContact CB-CE 3.55Å; F229-M287 HydrophobicContact CD1-CE 3.66Å; F229-M287 HydrophobicContact CD1-SD 4.19Å; F229-M287 HydrophobicContact CD2-CE 4.02Å; F229-M287 HydrophobicContact CE1-CE 4.41Å; F229-M287 HydrophobicContact CE1-SD 4.37Å; F229-M287 HydrophobicContact CG-CE 3.44Å; F229-M287 VanDerWaalsContact CG-CE 3.44Å; F229-M287 HydrophobicContact CG-SD 4.29Å; A282-M287 HydrophobicContact CB-CB 4.02Å; A282-M287 HydrophobicContact CB-CE 4.06Å; N283-M287 WeakPolarHBondContact O-CB 3.38Å; N283-M287 PolarHBondContact O-N 2.8Å; P284-M287 HydrophobicContact CB-CE 4.34Å; M287-T291 HydrophobicContact CB-CG2 4.41Å; M287-K292 HydrophobicContact SD-CB 3.69Å; M287-K292 HydrophobicContact SD-CG 3.87Å
288S92.7Very high94.3Very high5 Ų529.4 Ų29.44%0.03516%0.164CC..  trans-72.9157.3172.372.60000111.4A290 T291 K292 N703 E736S288-A290 VanDerWaalsContact C-N 3.25Å; S288-A290 PolarHBondContact O-N 2.86Å; S288-T291 PolarHBondContact O-N 3.07Å; S288-T291 WeakPolarHBondContact OG-CB 3.45Å; S288-T291 PolarHBondContact OG-N 3.21Å; S288-T291 VanDerWaalsContact OG-N 3.11Å; S288-T291 PolarHBondContact OG-OG1 3.32Å; S288-K292 PolarHBondContact O-N 3.44Å; S288-N703 VanDerWaalsContact CB-O 3.27Å; S288-N703 WeakPolarHBondContact CB-O 3.34Å; S288-E736 WeakPolarHBondContact CB-OE1 3.35Å; S288-E736 PolarHBondContact N-OE1 2.98Å; S288-E736 PolarHBondContact OG-OE1 3.48Å
289P93.7Very high94.6Very high22 Ų2226.6 Ų26.614%0.14315%0.154CC..Hα-helixtrans-53.7-42171.5-26.935.4000112.7T291 K292 E293 H661 M665 D704P289-T291 PolarHBondContact O-N 2.78Å; P289-K292 WeakPolarHBondContact O-CB 3.38Å; P289-K292 PolarHBondContact O-N 3.1Å; P289-E293 PolarHBondContact O-N 2.95Å; P289-H661 PolarHBondContact O-CE1 3.01Å; P289-M665 HydrophobicContact CB-CG 3.83Å; P289-D704 HydrophobicContact CG-CB 3.75Å
290A93.9Very high94.7Very high54 Ų5426 Ų2645%0.44615%0.151SC..Hα-helixtrans-64-40178.800000112.5S288 E293 A294S288-A290 VanDerWaalsContact C-N 3.25Å; S288-A290 PolarHBondContact O-N 2.86Å; A290-E293 PolarHBondContact O-N 3.07Å; A290-A294 WeakPolarHBondContact O-CB 3.38Å; A290-A294 PolarHBondContact O-N 3.37Å
291T94.7Very high94.7Very high15 Ų1526.6 Ų26.69%0.09215%0.153CC..Hα-helixtrans-66-42.2174-60.60000111.4A282 M287 S288 P289 E293 A294 I295 E736A282-T291 HydrophobicContact CB-CG2 3.84Å; M287-T291 HydrophobicContact CB-CG2 4.41Å; S288-T291 PolarHBondContact O-N 3.07Å; S288-T291 WeakPolarHBondContact OG-CB 3.45Å; S288-T291 PolarHBondContact OG-N 3.21Å; S288-T291 VanDerWaalsContact OG-N 3.11Å; S288-T291 PolarHBondContact OG-OG1 3.32Å; P289-T291 PolarHBondContact O-N 2.78Å; T291-E293 VanDerWaalsContact C-N 3.33Å; T291-E293 PolarHBondContact O-N 3.26Å; T291-A294 PolarHBondContact O-N 3.11Å; T291-I295 HydrophobicContact CG2-CD1 3.81Å; T291-I295 HydrophobicContact CG2-CG1 4.32Å; T291-I295 WeakPolarHBondContact O-CG1 3.36Å; T291-I295 PolarHBondContact O-N 3.14Å; T291-E736 VanDerWaalsContact CB-OE1 3.26Å; T291-E736 WeakPolarHBondContact CB-OE1 3.17Å; T291-E736 HydrophobicContact CG2-CG 4.37Å; T291-E736 VanDerWaalsContact OG1-CD 3.31Å; T291-E736 WeakPolarHBondContact OG1-CG 3.37Å; T291-E736 PolarHBondContact OG1-OE1 3.25Å
292K95.9Very high94.9Very high44 Ų4427.1 Ų27.119%0.19116%0.156CC..Hα-helixtrans-57.3-47.2175-169.6-175.4174-168.80110.9F229 M287 S288 P289 T296 E341 M342F229-K292 HydrophobicContact CE1-CG 3.97Å; F229-K292 HydrophobicContact CE2-CD 4.49Å; F229-K292 HydrophobicContact CE2-CG 4.12Å; F229-K292 HydrophobicContact CZ-CD 4.25Å; F229-K292 HydrophobicContact CZ-CG 3.48Å; F229-K292 VanDerWaalsContact CZ-CG 3.48Å; M287-K292 HydrophobicContact SD-CB 3.69Å; M287-K292 HydrophobicContact SD-CG 3.87Å; S288-K292 PolarHBondContact O-N 3.44Å; P289-K292 WeakPolarHBondContact O-CB 3.38Å; P289-K292 PolarHBondContact O-N 3.1Å; K292-T296 VanDerWaalsContact O-CB 3.31Å; K292-T296 WeakPolarHBondContact O-CB 3.46Å; K292-T296 PolarHBondContact O-N 3.03Å; K292-T296 PolarHBondContact O-OG1 2.94Å; K292-E341 IonicContact NZ-OE1 2.77Å; K292-E341 PolarHBondContact NZ-OE1 3.36Å; K292-M342 HydrophobicContact CD-SD 4.01Å; K292-M342 HydrophobicContact CG-CE 4.41Å; K292-M342 HydrophobicContact CG-SD 4.18Å
293E96.3Very high95.1Very high16 Ų1627 Ų278%0.07515%0.154CC..Hα-helixtrans-59.6-49.1174.8166163.9-173.500112.4P289 A290 T291 I295 T296 T297 M342 I344 H347 M665P289-E293 PolarHBondContact O-N 2.95Å; A290-E293 PolarHBondContact O-N 3.07Å; T291-E293 VanDerWaalsContact C-N 3.33Å; T291-E293 PolarHBondContact O-N 3.26Å; E293-I295 PolarHBondContact O-N 2.97Å; E293-T296 PolarHBondContact O-N 3.34Å; E293-T297 HydrophobicContact CG-CG2 4.43Å; E293-T297 WeakPolarHBondContact O-CB 3.36Å; E293-T297 WeakPolarHBondContact O-CG2 3.36Å; E293-T297 PolarHBondContact O-N 3.08Å; E293-T297 PolarHBondContact O-OG1 3.18Å; E293-M342 VanDerWaalsContact CA-CE 3.48Å; E293-M342 HydrophobicContact CB-CE 3.86Å; E293-I344 HydrophobicContact CB-CD1 4.29Å; E293-I344 HydrophobicContact CG-CD1 3.61Å; E293-I344 HydrophobicContact CG-CG1 4.41Å; E293-H347 IonicContact OE1-CE1 3.67Å; E293-H347 IonicContact OE1-CG 3.42Å; E293-H347 IonicContact OE1-ND1 3.84Å; E293-H347 PolarHBondContact OE1-ND1 3.25Å; E293-H347 IonicContact OE2-CE1 2.87Å; E293-H347 PolarHBondContact OE2-CE1 2.95Å; E293-H347 IonicContact OE2-ND1 3.62Å; E293-H347 PolarHBondContact OE2-ND1 3.44Å; E293-M665 WeakPolarHBondContact OE2-CE 3.48Å
294A96.7Very high95.5Very high29 Ų2924.4 Ų24.424%0.2414%0.141CC..Hα-helixtrans-62.4-45.7-178.100000112.3L279 A290 T291 T297 V298L279-A294 HydrophobicContact CD2-CB 4.07Å; A290-A294 WeakPolarHBondContact O-CB 3.38Å; A290-A294 PolarHBondContact O-N 3.37Å; T291-A294 PolarHBondContact O-N 3.11Å; A294-T297 PolarHBondContact O-OG1 3.46Å; A294-V298 WeakPolarHBondContact O-CB 3.36Å; A294-V298 WeakPolarHBondContact O-CG2 3.14Å; A294-V298 PolarHBondContact O-N 2.93Å
295I97.9Very high95.9Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-64.4-43.7177.9-66.2175.3000110.4F229 A230 A282 T291 E293 I299F229-I295 HydrophobicContact CD1-CB 4.32Å; F229-I295 HydrophobicContact CD1-CG2 3.83Å; F229-I295 HydrophobicContact CE1-CB 4.17Å; F229-I295 HydrophobicContact CE1-CG2 3.96Å; A230-I295 HydrophobicContact CB-CG2 4.31Å; A282-I295 HydrophobicContact CB-CD1 3.55Å; T291-I295 HydrophobicContact CG2-CD1 3.81Å; T291-I295 HydrophobicContact CG2-CG1 4.32Å; T291-I295 WeakPolarHBondContact O-CG1 3.36Å; T291-I295 PolarHBondContact O-N 3.14Å; E293-I295 PolarHBondContact O-N 2.97Å; I295-I299 HydrophobicContact CG2-CD1 3.56Å; I295-I299 HydrophobicContact CG2-CG1 4.38Å; I295-I299 WeakPolarHBondContact O-CB 3.35Å; I295-I299 VanDerWaalsContact O-CG1 3.25Å; I295-I299 WeakPolarHBondContact O-CG1 3.42Å; I295-I299 PolarHBondContact O-N 3.22Å
296T98.4Very high96.5Very high0 Ų015.1 Ų15.10%09%0.094CC..Hα-helixtrans-64.6-47.1-177.3-54.50000112F229 V233 K292 E293 S300 Y339F229-T296 WeakPolarHBondContact CZ-OG1 3.34Å; V233-T296 HydrophobicContact CG1-CG2 4.25Å; V233-T296 HydrophobicContact CG2-CG2 4.45Å; K292-T296 VanDerWaalsContact O-CB 3.31Å; K292-T296 WeakPolarHBondContact O-CB 3.46Å; K292-T296 PolarHBondContact O-N 3.03Å; K292-T296 PolarHBondContact O-OG1 2.94Å; E293-T296 PolarHBondContact O-N 3.34Å; T296-S300 VanDerWaalsContact O-CB 3.3Å; T296-S300 WeakPolarHBondContact O-CB 3.42Å; T296-S300 PolarHBondContact O-N 2.87Å; T296-S300 PolarHBondContact O-OG 3.5Å; T296-Y339 HydrophobicContact CG2-CD2 3.46Å; T296-Y339 VanDerWaalsContact CG2-CD2 3.46Å; T296-Y339 HydrophobicContact CG2-CE2 3.83Å; T296-Y339 HydrophobicContact CG2-CG 4.3Å
297T98.1Very high97Very high14 Ų1413 Ų139%0.0868%0.081CC..Hα-helixtrans-69.8-44.3-178.248.70000111.9E293 A294 S300 H301 Y332 I344E293-T297 HydrophobicContact CG-CG2 4.43Å; E293-T297 WeakPolarHBondContact O-CB 3.36Å; E293-T297 WeakPolarHBondContact O-CG2 3.36Å; E293-T297 PolarHBondContact O-N 3.08Å; E293-T297 PolarHBondContact O-OG1 3.18Å; A294-T297 PolarHBondContact O-OG1 3.46Å; T297-S300 PolarHBondContact O-N 3.18Å; T297-H301 WeakPolarHBondContact O-CB 3.17Å; T297-H301 PolarHBondContact O-N 2.96Å; T297-Y332 HydrophobicContact CG2-CE1 4.48Å; T297-I344 HydrophobicContact CG2-CD1 3.27Å; T297-I344 HydrophobicContact CG2-CG1 4.39Å
298V98.5Very high97.3Very high29 Ų2912.2 Ų12.218%0.1768%0.077CC..Hα-helixtrans-66.3-44.7-1801790000110.8A266 F275 L279 A294 S300 H301 E302A266-V298 HydrophobicContact CB-CG1 3.75Å; F275-V298 HydrophobicContact CD1-CG1 3.99Å; F275-V298 HydrophobicContact CE1-CG1 3.89Å; L279-V298 HydrophobicContact CD1-CG1 4.47Å; L279-V298 HydrophobicContact CD1-CG2 4.41Å; L279-V298 HydrophobicContact CD2-CG2 4.21Å; A294-V298 WeakPolarHBondContact O-CB 3.36Å; A294-V298 WeakPolarHBondContact O-CG2 3.14Å; A294-V298 PolarHBondContact O-N 2.93Å; V298-S300 VanDerWaalsContact C-N 3.29Å; V298-S300 PolarHBondContact O-N 3.34Å; V298-H301 VanDerWaalsContact O-CB 3.31Å; V298-H301 WeakPolarHBondContact O-CB 3.47Å; V298-H301 PolarHBondContact O-N 2.95Å; V298-H301 VanDerWaalsContact O-N 3.15Å; V298-E302 HydrophobicContact CG1-CG 4.37Å; V298-E302 WeakPolarHBondContact O-CG 3.13Å; V298-E302 PolarHBondContact O-N 3.04Å
299I98.8Very high97.6Very high0 Ų012 Ų120%08%0.076CC..Hα-helixtrans-60.5-42.3174.7-67.6170.7000111.2A230 V233 A234 L256 F275 L280 I295 H301 E302 I303A230-I299 HydrophobicContact CB-CD1 3.47Å; A230-I299 VanDerWaalsContact CB-CD1 3.47Å; V233-I299 HydrophobicContact CB-CD1 4.07Å; V233-I299 HydrophobicContact CB-CG2 4.24Å; V233-I299 HydrophobicContact CG1-CB 3.81Å; V233-I299 HydrophobicContact CG1-CD1 4.23Å; V233-I299 HydrophobicContact CG1-CG2 3.64Å; A234-I299 HydrophobicContact CB-CG2 4.13Å; L256-I299 HydrophobicContact CD2-CD1 4.28Å; L256-I299 HydrophobicContact CD2-CG1 4.12Å; L256-I299 HydrophobicContact CD2-CG2 4.05Å; F275-I299 HydrophobicContact CE1-CG1 3.83Å; F275-I299 HydrophobicContact CZ-CG1 4Å; L280-I299 HydrophobicContact CD1-CD1 3.91Å; L280-I299 HydrophobicContact CD1-CG1 4.13Å; I295-I299 HydrophobicContact CG2-CD1 3.56Å; I295-I299 HydrophobicContact CG2-CG1 4.38Å; I295-I299 WeakPolarHBondContact O-CB 3.35Å; I295-I299 VanDerWaalsContact O-CG1 3.25Å; I295-I299 WeakPolarHBondContact O-CG1 3.42Å; I295-I299 PolarHBondContact O-N 3.22Å; I299-H301 VanDerWaalsContact C-N 3.3Å; I299-H301 PolarHBondContact O-N 3.25Å; I299-E302 PolarHBondContact O-N 3.4Å; I299-I303 HydrophobicContact CG2-CD1 3.63Å; I299-I303 HydrophobicContact CG2-CG1 4.3Å; I299-I303 WeakPolarHBondContact O-CB 3.35Å; I299-I303 VanDerWaalsContact O-CG1 3.26Å; I299-I303 WeakPolarHBondContact O-CG1 3.03Å; I299-I303 PolarHBondContact O-N 3.46Å
300S98.7Very high97.8Very high0 Ų011 Ų110%07%0.069CC..Hα-helixtrans-64.5-36.3177.5-60.90000111.9S237 Y241 T296 T297 V298 A304 S335S237-S300 PolarHBondContact OG-OG 3.31Å; S237-S300 VanDerWaalsContact OG-OG 3.1Å; Y241-S300 VanDerWaalsContact CE2-O 3.28Å; Y241-S300 WeakPolarHBondContact CE2-O 3.35Å; Y241-S300 VanDerWaalsContact CZ-O 3.31Å; Y241-S300 PolarHBondContact OH-O 2.89Å; T296-S300 VanDerWaalsContact O-CB 3.3Å; T296-S300 WeakPolarHBondContact O-CB 3.42Å; T296-S300 PolarHBondContact O-N 2.87Å; T296-S300 PolarHBondContact O-OG 3.5Å; T297-S300 PolarHBondContact O-N 3.18Å; V298-S300 VanDerWaalsContact C-N 3.29Å; V298-S300 PolarHBondContact O-N 3.34Å; S300-A304 PolarHBondContact O-N 3.2Å; S300-S335 PolarHBondContact OG-OG 3.09Å
301H98.7Very high98.1Very high11 Ų118.6 Ų8.65%0.0515%0.049CC..Hα-helixtrans-61.1-55.3174-170.797.8000111.2T297 V298 I299 I303 A304 H305 E324 A327 A328 E331 Y387T297-H301 WeakPolarHBondContact O-CB 3.17Å; T297-H301 PolarHBondContact O-N 2.96Å; V298-H301 VanDerWaalsContact O-CB 3.31Å; V298-H301 WeakPolarHBondContact O-CB 3.47Å; V298-H301 PolarHBondContact O-N 2.95Å; V298-H301 VanDerWaalsContact O-N 3.15Å; I299-H301 VanDerWaalsContact C-N 3.3Å; I299-H301 PolarHBondContact O-N 3.25Å; H301-I303 VanDerWaalsContact C-N 3.31Å; H301-I303 PolarHBondContact O-N 2.57Å; H301-A304 VanDerWaalsContact O-CB 3.27Å; H301-A304 WeakPolarHBondContact O-CB 3.46Å; H301-A304 PolarHBondContact O-N 3.26Å; H301-H305 AromaticContact CD2-CD2 3.73Å; H301-H305 AromaticContact CD2-NE2 3.22Å; H301-H305 PolarHBondContact CD2-NE2 2.96Å; H301-H305 AromaticContact NE2-CE1 3.81Å; H301-H305 AromaticContact NE2-NE2 3.09Å; H301-H305 PolarHBondContact NE2-NE2 3.22Å; H301-H305 PolarHBondContact O-N 3.22Å; H301-E324 IonicContact NE2-OE2 3.94Å; H301-E324 PolarHBondContact NE2-OE2 3.32Å; H301-A327 VanDerWaalsContact CE1-CB 3.47Å; H301-A327 WeakPolarHBondContact CE1-CB 3.38Å; H301-A328 PolarHBondContact CE1-N 3.49Å; H301-A328 PolarHBondContact ND1-N 3.03Å; H301-E331 HydrophobicContact CB-CB 4.13Å; H301-E331 IonicContact CE1-OE2 3.5Å; H301-E331 IonicContact CG-OE2 3.38Å; H301-E331 IonicContact ND1-OE2 3.09Å; H301-E331 PolarHBondContact ND1-OE2 2.78Å; H301-Y387 AromaticContact CE1-CE1 3.89Å; H301-Y387 AromaticContact NE2-CE1 3.79Å
302E98.8Very high98.2Very high12 Ų128 Ų86%0.0565%0.045CC..Hα-helixtrans-62.7-37.8-177.6-59.8-48.5132.100112.4A266 M267 E268 I273 F275 V298 I299 A304 H305 M306A266-E302 VanDerWaalsContact CB-CD 3.43Å; A266-E302 HydrophobicContact CB-CG 3.54Å; A266-E302 WeakPolarHBondContact CB-OE1 3.31Å; M267-E302 VanDerWaalsContact C-OE2 3.24Å; M267-E302 PolarHBondContact N-OE2 3.07Å; E268-E302 WeakPolarHBondContact CA-OE2 2.99Å; E268-E302 WeakPolarHBondContact CB-OE2 3.47Å; E268-E302 PolarHBondContact N-OE2 3.32Å; E268-E302 VanDerWaalsContact N-OE2 3.07Å; I273-E302 HydrophobicContact CD1-CB 3.93Å; I273-E302 HydrophobicContact CG1-CB 4.48Å; I273-E302 HydrophobicContact CG2-CB 3.53Å; I273-E302 HydrophobicContact CG2-CG 3.66Å; F275-E302 HydrophobicContact CE1-CB 4.46Å; F275-E302 HydrophobicContact CE1-CG 3.75Å; F275-E302 HydrophobicContact CZ-CB 4.12Å; F275-E302 HydrophobicContact CZ-CG 3.83Å; V298-E302 HydrophobicContact CG1-CG 4.37Å; V298-E302 WeakPolarHBondContact O-CG 3.13Å; V298-E302 PolarHBondContact O-N 3.04Å; I299-E302 PolarHBondContact O-N 3.4Å; E302-A304 VanDerWaalsContact C-N 3.33Å; E302-H305 WeakPolarHBondContact O-CB 3.34Å; E302-H305 PolarHBondContact O-N 3.13Å; E302-H305 IonicContact OE2-CD2 3.05Å; E302-M306 VanDerWaalsContact O-CE 3.23Å; E302-M306 WeakPolarHBondContact O-CE 3.39Å
303I98.8Very high98.4Very high0 Ų06 Ų60%04%0.037CC..Hα-helixtrans-70-32.3176.8-65.4175.8000111.1A234 L238 Y241 I254 I273 I299 H301 H305 M306 W307A234-I303 HydrophobicContact CB-CD1 3.83Å; L238-I303 HydrophobicContact CB-CG2 4.04Å; L238-I303 HydrophobicContact CD1-CG2 3.6Å; L238-I303 HydrophobicContact CG-CG2 4.47Å; Y241-I303 HydrophobicContact CD2-CB 4.23Å; Y241-I303 HydrophobicContact CD2-CG2 3.57Å; Y241-I303 HydrophobicContact CE2-CB 4.03Å; Y241-I303 HydrophobicContact CE2-CG2 3.89Å; I254-I303 HydrophobicContact CD1-CG1 4.3Å; I273-I303 HydrophobicContact CD1-CG1 4.06Å; I299-I303 HydrophobicContact CG2-CD1 3.63Å; I299-I303 HydrophobicContact CG2-CG1 4.3Å; I299-I303 WeakPolarHBondContact O-CB 3.35Å; I299-I303 VanDerWaalsContact O-CG1 3.26Å; I299-I303 WeakPolarHBondContact O-CG1 3.03Å; I299-I303 PolarHBondContact O-N 3.46Å; H301-I303 VanDerWaalsContact C-N 3.31Å; H301-I303 PolarHBondContact O-N 2.57Å; I303-H305 PolarHBondContact O-N 3.27Å; I303-M306 WeakPolarHBondContact O-CB 3.12Å; I303-M306 VanDerWaalsContact O-CG 3.27Å; I303-M306 WeakPolarHBondContact O-CG 2.97Å; I303-M306 PolarHBondContact O-N 2.98Å; I303-M306 VanDerWaalsContact O-N 3.13Å; I303-W307 HydrophobicContact CG2-CZ3 4.33Å; I303-W307 WeakPolarHBondContact O-CZ3 3.29Å
304A98.7Very high98.5Very high0 Ų05.3 Ų5.30%03%0.033CC..Hα-helixtrans-59.6-34.5173.900000111.4Y241 S300 H301 E302 M306 W307 F308 A327 I330Y241-A304 HydrophobicContact CE1-CB 4.06Å; Y241-A304 HydrophobicContact CE2-CB 4.1Å; S300-A304 PolarHBondContact O-N 3.2Å; H301-A304 VanDerWaalsContact O-CB 3.27Å; H301-A304 WeakPolarHBondContact O-CB 3.46Å; H301-A304 PolarHBondContact O-N 3.26Å; E302-A304 VanDerWaalsContact C-N 3.33Å; A304-M306 PolarHBondContact O-N 2.81Å; A304-W307 PolarHBondContact O-N 3.02Å; A304-F308 PolarHBondContact O-N 3.26Å; A304-F308 VanDerWaalsContact O-N 3.09Å; A304-A327 HydrophobicContact CB-CB 4.16Å; A304-I330 HydrophobicContact CB-CG2 3.55Å
305H98.8Very high98.4Very high1 Ų17.3 Ų7.31%0.0054%0.038CC..THydrogen-bonded Turntrans-66-17.5179.4-69.2-54.9000114.8E268 H301 E302 I303 W307 F308 N310 K323 E324 A327E268-H305 HydrophobicContact CB-CB 3.42Å; E268-H305 VanDerWaalsContact CB-CB 3.42Å; E268-H305 HydrophobicContact CG-CB 3.47Å; E268-H305 VanDerWaalsContact CG-CB 3.47Å; E268-H305 IonicContact OE2-CD2 3.62Å; H301-H305 AromaticContact CD2-CD2 3.73Å; H301-H305 AromaticContact CD2-NE2 3.22Å; H301-H305 PolarHBondContact CD2-NE2 2.96Å; H301-H305 AromaticContact NE2-CE1 3.81Å; H301-H305 AromaticContact NE2-NE2 3.09Å; H301-H305 PolarHBondContact NE2-NE2 3.22Å; H301-H305 PolarHBondContact O-N 3.22Å; E302-H305 WeakPolarHBondContact O-CB 3.34Å; E302-H305 PolarHBondContact O-N 3.13Å; E302-H305 IonicContact OE2-CD2 3.05Å; I303-H305 PolarHBondContact O-N 3.27Å; H305-W307 PolarHBondContact O-N 3.23Å; H305-F308 WeakPolarHBondContact CA-O 3.34Å; H305-F308 WeakPolarHBondContact CB-O 3.29Å; H305-F308 PolarHBondContact ND1-O 3.28Å; H305-F308 CarbonylContact O-C 3.5Å; H305-F308 PolarHBondContact O-N 2.92Å; H305-N310 VanDerWaalsContact O-CB 3.31Å; H305-N310 WeakPolarHBondContact O-CB 3.23Å; H305-N310 VanDerWaalsContact O-CG 3.25Å; H305-N310 PolarHBondContact O-N 2.89Å; H305-N310 PolarHBondContact O-OD1 3.23Å; H305-K323 WeakPolarHBondContact CE1-CE 3.44Å; H305-K323 VanDerWaalsContact CE1-CG 3.41Å; H305-K323 WeakPolarHBondContact CE1-CG 3.25Å; H305-K323 VanDerWaalsContact ND1-CG 3.34Å; H305-K323 WeakPolarHBondContact ND1-CG 3.46Å; H305-E324 IonicContact CE1-OE2 3.78Å; H305-E324 PolarHBondContact CE1-OE2 3.36Å; H305-E324 IonicContact NE2-OE2 3.12Å; H305-A327 WeakPolarHBondContact CE1-CB 3.31Å
306M98.8Very high98.3Very high2 Ų28.2 Ų8.21%0.014%0.041CC..THydrogen-bonded Turntrans-56.1-25.6170.9-56.9-57111.100111.8Y249 I254 E268 I273 E302 I303 A304 N310 L311Y249-M306 HydrophobicContact CD2-CB 3.89Å; Y249-M306 HydrophobicContact CD2-CG 4.04Å; Y249-M306 HydrophobicContact CE2-CB 3.91Å; Y249-M306 HydrophobicContact CE2-CG 3.68Å; Y249-M306 HydrophobicContact CE2-SD 3.75Å; I254-M306 HydrophobicContact CD1-CG 4.16Å; I254-M306 HydrophobicContact CD1-SD 4.11Å; E268-M306 HydrophobicContact CB-CE 3.98Å; E268-M306 WeakPolarHBondContact O-CE 3.11Å; I273-M306 HydrophobicContact CD1-CE 3.89Å; I273-M306 HydrophobicContact CG1-CE 3.87Å; E302-M306 VanDerWaalsContact O-CE 3.23Å; E302-M306 WeakPolarHBondContact O-CE 3.39Å; I303-M306 WeakPolarHBondContact O-CB 3.12Å; I303-M306 VanDerWaalsContact O-CG 3.27Å; I303-M306 WeakPolarHBondContact O-CG 2.97Å; I303-M306 PolarHBondContact O-N 2.98Å; I303-M306 VanDerWaalsContact O-N 3.13Å; A304-M306 PolarHBondContact O-N 2.81Å; M306-N310 WeakPolarHBondContact CE-ND2 3.25Å; M306-L311 WeakPolarHBondContact O-CB 3.4Å; M306-L311 PolarHBondContact O-N 2.96Å
307W98.7Very high98.1Very high1 Ų18.3 Ų8.30%0.0044%0.041CC..THydrogen-bonded Turntrans-101-46.8169.7-67.4-97.6000112.7L238 Y241 F245 I247 I303 A304 H305 V312 L414L238-W307 HydrophobicContact CD1-CH2 3.93Å; L238-W307 HydrophobicContact CD1-CZ3 4.13Å; Y241-W307 HydrophobicContact CD2-CZ3 4.24Å; Y241-W307 HydrophobicContact CG-CE3 4.41Å; Y241-W307 HydrophobicContact CG-CZ3 4.1Å; F245-W307 HydrophobicContact CD2-CB 4.03Å; F245-W307 AromaticContact CD2-CD1 3.72Å; F245-W307 AromaticContact CD2-CD2 3.63Å; F245-W307 HydrophobicContact CD2-CD2 3.63Å; F245-W307 AromaticContact CD2-CE2 3.93Å; F245-W307 HydrophobicContact CD2-CE3 4.2Å; F245-W307 AromaticContact CD2-CG 3.51Å; F245-W307 HydrophobicContact CD2-CG 3.51Å; F245-W307 AromaticContact CD2-NE1 3.94Å; F245-W307 HydrophobicContact CE2-CB 4.04Å; F245-W307 AromaticContact CE2-CD2 3.91Å; F245-W307 HydrophobicContact CE2-CD2 3.91Å; F245-W307 HydrophobicContact CE2-CE3 4.07Å; F245-W307 AromaticContact CE2-CG 3.89Å; F245-W307 HydrophobicContact CE2-CG 3.89Å; F245-W307 HydrophobicContact CG-CG 4.43Å; I247-W307 VanDerWaalsContact O-CE2 3.3Å; I247-W307 VanDerWaalsContact O-CZ2 3.24Å; I247-W307 WeakPolarHBondContact O-CZ2 3.45Å; I247-W307 PolarHBondContact O-NE1 3.09Å; I303-W307 HydrophobicContact CG2-CZ3 4.33Å; I303-W307 WeakPolarHBondContact O-CZ3 3.29Å; A304-W307 PolarHBondContact O-N 3.02Å; H305-W307 PolarHBondContact O-N 3.23Å; W307-V312 PolarHBondContact O-N 3.32Å; W307-V312 VanDerWaalsContact O-N 3.15Å; W307-L414 HydrophobicContact CB-CD1 4.14Å; W307-L414 HydrophobicContact CB-CD2 4.13Å; W307-L414 HydrophobicContact CG-CD1 4.47Å
308F98.4Very high98Very high2 Ų29.1 Ų9.11%0.0095%0.046CC..BIsolated β-bridgetrans-99.893.8-178.3-61.2-71.8000112.4F245 A304 H305 K323 F326 L410 Y413 L414F245-F308 HydrophobicContact CD1-CE2 4.49Å; F245-F308 HydrophobicContact CD1-CZ 4.47Å; F245-F308 AromaticContact CE1-CE2 3.58Å; F245-F308 HydrophobicContact CE1-CE2 3.58Å; F245-F308 AromaticContact CE1-CZ 3.85Å; F245-F308 HydrophobicContact CE1-CZ 3.85Å; F245-F308 HydrophobicContact CE2-CE2 4.07Å; F245-F308 HydrophobicContact CZ-CD2 4.22Å; F245-F308 AromaticContact CZ-CE2 3.34Å; F245-F308 HydrophobicContact CZ-CE2 3.34Å; F245-F308 HydrophobicContact CZ-CZ 4.08Å; A304-F308 PolarHBondContact O-N 3.26Å; A304-F308 VanDerWaalsContact O-N 3.09Å; H305-F308 WeakPolarHBondContact CA-O 3.34Å; H305-F308 WeakPolarHBondContact CB-O 3.29Å; H305-F308 PolarHBondContact ND1-O 3.28Å; H305-F308 CarbonylContact O-C 3.5Å; H305-F308 PolarHBondContact O-N 2.92Å; F308-K323 WeakPolarHBondContact O-CG 3.31Å; F308-F326 HydrophobicContact CB-CB 4.08Å; F308-F326 HydrophobicContact CD1-CB 3.74Å; F308-F326 HydrophobicContact CD1-CD1 4.25Å; F308-F326 HydrophobicContact CD1-CD2 4.13Å; F308-F326 AromaticContact CD1-CG 3.76Å; F308-F326 HydrophobicContact CD1-CG 3.76Å; F308-F326 HydrophobicContact CD2-CB 3.77Å; F308-F326 HydrophobicContact CD2-CG 4.41Å; F308-F326 HydrophobicContact CE1-CB 4.11Å; F308-F326 AromaticContact CE1-CD1 3.76Å; F308-F326 HydrophobicContact CE1-CD1 3.76Å; F308-F326 HydrophobicContact CE1-CD2 4.22Å; F308-F326 HydrophobicContact CE1-CE1 4.25Å; F308-F326 AromaticContact CE1-CG 3.75Å; F308-F326 HydrophobicContact CE1-CG 3.75Å; F308-F326 HydrophobicContact CE2-CB 4.09Å; F308-F326 HydrophobicContact CE2-CD1 4.12Å; F308-F326 HydrophobicContact CE2-CG 4.34Å; F308-F326 HydrophobicContact CG-CB 3.59Å; F308-F326 HydrophobicContact CG-CG 4.14Å; F308-F326 HydrophobicContact CZ-CB 4.3Å; F308-F326 AromaticContact CZ-CD1 3.72Å; F308-F326 HydrophobicContact CZ-CD1 3.72Å; F308-F326 HydrophobicContact CZ-CE1 4.32Å; F308-F326 HydrophobicContact CZ-CG 4.08Å; F308-L410 HydrophobicContact CE1-CD1 3.64Å; F308-L410 HydrophobicContact CE1-CG 4.31Å; F308-L410 HydrophobicContact CZ-CD1 3.58Å; F308-L410 HydrophobicContact CZ-CD2 3.79Å; F308-L410 HydrophobicContact CZ-CG 3.79Å; F308-Y413 HydrophobicContact CE1-CE1 4.41Å; F308-L414 HydrophobicContact CD1-CD2 4.09Å; F308-L414 HydrophobicContact CE1-CD1 4.27Å; F308-L414 HydrophobicContact CE1-CD2 3.77Å; F308-L414 HydrophobicContact CE1-CG 4.2Å; F308-L414 HydrophobicContact CZ-CD1 3.94Å; F308-L414 HydrophobicContact CZ-CD2 4.24Å; F308-L414 HydrophobicContact CZ-CG 4.36Å
309G98Very high97.8Very high1 Ų18.2 Ų8.21%0.014%0.041CC..THydrogen-bonded Turntrans127.1-48-17400000110.4Y190 V312 T313Y190-G309 PolarHBondContact OH-O 2.83Å; G309-V312 CarbonylContact C-O 3.48Å; G309-V312 WeakPolarHBondContact CA-O 3.31Å; G309-V312 PolarHBondContact N-O 2.85Å; G309-T313 VanDerWaalsContact O-CB 3.31Å; G309-T313 WeakPolarHBondContact O-CB 3.26Å; G309-T313 WeakPolarHBondContact O-CG2 3.33Å; G309-T313 PolarHBondContact O-OG1 2.82Å
310N98.7Very high97.7Very high0 Ų08.3 Ų8.30%04%0.041CC..THydrogen-bonded Turntrans-92.7-65.9-175-60.810000111.9K145 L191 E268 W270 H305 M306 T313K145-N310 PolarHBondContact NZ-O 2.62Å; L191-N310 HydrophobicContact CD1-CB 3.98Å; L191-N310 WeakPolarHBondContact CD1-OD1 3.49Å; L191-N310 WeakPolarHBondContact CD2-OD1 3.27Å; E268-N310 WeakPolarHBondContact CG-OD1 3.22Å; E268-N310 PolarHBondContact O-ND2 3.19Å; W270-N310 WeakPolarHBondContact CA-ND2 3.31Å; W270-N310 HydrophobicContact CB-CB 4.41Å; W270-N310 WeakPolarHBondContact CB-ND2 3.45Å; W270-N310 HydrophobicContact CD2-CB 3.65Å; W270-N310 HydrophobicContact CE3-CB 3.84Å; W270-N310 HydrophobicContact CG-CB 3.92Å; W270-N310 HydrophobicContact CZ2-CB 4.35Å; W270-N310 HydrophobicContact CZ3-CB 4.29Å; W270-N310 WeakPolarHBondContact CZ3-O 3.23Å; H305-N310 VanDerWaalsContact O-CB 3.31Å; H305-N310 WeakPolarHBondContact O-CB 3.23Å; H305-N310 VanDerWaalsContact O-CG 3.25Å; H305-N310 PolarHBondContact O-N 2.89Å; H305-N310 PolarHBondContact O-OD1 3.23Å; M306-N310 WeakPolarHBondContact CE-ND2 3.25Å; N310-T313 PolarHBondContact O-OG1 2.96Å
311L98.7Very high97.6Very high3 Ų38.3 Ų8.32%0.0164%0.041CC..THydrogen-bonded Turntrans-63-50.3178.6-175.865.6000111.1K145 I247 W270 M306 A418 Y419K145-L311 PolarHBondContact NZ-O 2.95Å; I247-L311 HydrophobicContact CG2-CD2 3.99Å; W270-L311 HydrophobicContact CH2-CB 4.33Å; W270-L311 HydrophobicContact CH2-CD1 4.16Å; W270-L311 HydrophobicContact CZ2-CB 4.33Å; W270-L311 HydrophobicContact CZ2-CD1 4.36Å; M306-L311 WeakPolarHBondContact O-CB 3.4Å; M306-L311 PolarHBondContact O-N 2.96Å; L311-A418 HydrophobicContact CD1-CB 3.96Å; L311-A418 HydrophobicContact CD2-CB 4.37Å; L311-A418 HydrophobicContact CG-CB 4.11Å; L311-Y419 HydrophobicContact CD1-CD1 3.98Å; L311-Y419 HydrophobicContact CD1-CD2 4.1Å; L311-Y419 HydrophobicContact CD1-CE1 3.75Å; L311-Y419 HydrophobicContact CD1-CE2 3.89Å; L311-Y419 HydrophobicContact CD1-CG 4.15Å; L311-Y419 WeakPolarHBondContact O-CA 3.32Å; L311-Y419 PolarHBondContact O-N 3.43Å
312V98.8Very high97.6Very high4 Ų48 Ų82%0.0244%0.04CC..EExtended strand (participates in β ladder)trans-117.3119.1172.4-172.80000108.4W307 G309 Y413 L414 A422W307-V312 PolarHBondContact O-N 3.32Å; W307-V312 VanDerWaalsContact O-N 3.15Å; G309-V312 CarbonylContact C-O 3.48Å; G309-V312 WeakPolarHBondContact CA-O 3.31Å; G309-V312 PolarHBondContact N-O 2.85Å; V312-Y413 HydrophobicContact CB-CE1 4.37Å; V312-Y413 HydrophobicContact CG1-CE1 3.94Å; V312-Y413 HydrophobicContact CG1-CE2 4.49Å; V312-Y413 WeakPolarHBondContact CG1-OH 3.33Å; V312-L414 HydrophobicContact CB-CD2 4.28Å; V312-L414 HydrophobicContact CG2-CD2 3.77Å; V312-A422 HydrophobicContact CG1-CB 3.96Å
313T98.7Very high97.5Very high1 Ų17.5 Ų7.51%0.0064%0.038CC..EExtended strand (participates in β ladder)trans-110.6152.8-177.7-47.10000109.2P142 K145 Y190 G309 N310 A420 N421 A422P142-T313 HydrophobicContact CB-CG2 3.9Å; K145-T313 VanDerWaalsContact CE-CB 3.47Å; K145-T313 WeakPolarHBondContact CE-OG1 3.47Å; K145-T313 PolarHBondContact NZ-OG1 2.86Å; Y190-T313 HydrophobicContact CE1-CG2 3.86Å; G309-T313 VanDerWaalsContact O-CB 3.31Å; G309-T313 WeakPolarHBondContact O-CB 3.26Å; G309-T313 WeakPolarHBondContact O-CG2 3.33Å; G309-T313 PolarHBondContact O-OG1 2.82Å; N310-T313 PolarHBondContact O-OG1 2.96Å; T313-A420 PolarHBondContact N-O 3.32Å; T313-N421 CarbonylContact O-C 3.56Å; T313-N421 WeakPolarHBondContact O-CA 3.37Å; T313-A422 PolarHBondContact O-N 2.94Å
314M97.9Very high97.5Very high1 Ų17.6 Ų7.61%0.0054%0.038CC..EExtended strand (participates in β ladder)trans-59.8149.2167.467.9-65.2-106.700111P142 W316 W317 D319 L320 K323 N421 A422P142-M314 HydrophobicContact CB-SD 4.44Å; M314-W316 WeakPolarHBondContact CB-O 3.32Å; M314-W316 WeakPolarHBondContact CG-O 3.01Å; M314-W317 HydrophobicContact CE-CE3 3.82Å; M314-W317 HydrophobicContact CE-CZ3 3.7Å; M314-W317 HydrophobicContact SD-CZ3 4.47Å; M314-D319 HydrophobicContact CB-CB 3.95Å; M314-L320 HydrophobicContact CE-CB 4.35Å; M314-L320 HydrophobicContact CE-CD1 3.45Å; M314-L320 VanDerWaalsContact CE-CD1 3.45Å; M314-L320 HydrophobicContact CE-CG 4.5Å; M314-K323 HydrophobicContact CE-CB 4.01Å; M314-K323 HydrophobicContact CE-CD 4.1Å; M314-N421 PolarHBondContact O-ND2 3.04Å; M314-A422 CarbonylContact C-O 3.53Å; M314-A422 WeakPolarHBondContact CA-O 3.4Å
315E96.5Very high97.4Very high72 Ų727.6 Ų7.634%0.3364%0.038SC..SBendtrans-66-42.2171.5-174.5176.9120.100110.9R11 E143 N421 A422 V423R11-E315 IonicContact NH2-OE1 2.91Å; R11-E315 PolarHBondContact NH2-OE1 3.44Å; R11-E315 VanDerWaalsContact NH2-OE1 3.09Å; E143-E315 HydrophobicContact CB-CG 4.09Å; E315-N421 HydrophobicContact CB-CB 4.22Å; E315-A422 PolarHBondContact N-O 3.16Å; E315-V423 HydrophobicContact CB-CG1 3.91Å
316W95.3Very high97.4Very high19 Ų197.5 Ų7.57%0.0724%0.038CC..SBendtrans-144.1162.3175.8-173.3-124.4000110.9F6 R8 E141 P142 M314 T318 D319 V372F6-W316 HydrophobicContact CE1-CH2 4.22Å; F6-W316 HydrophobicContact CE1-CZ2 4.12Å; F6-W316 HydrophobicContact CZ-CH2 4.16Å; F6-W316 HydrophobicContact CZ-CZ2 4.5Å; R8-W316 VanDerWaalsContact CZ-CD2 3.43Å; R8-W316 VanDerWaalsContact NH1-CD2 3.26Å; R8-W316 VanDerWaalsContact NH1-CG 3.3Å; E141-W316 HydrophobicContact CB-CE3 4.43Å; E141-W316 HydrophobicContact CB-CZ3 3.85Å; E141-W316 HydrophobicContact CG-CZ3 3.92Å; P142-W316 HydrophobicContact CG-CE3 4.25Å; M314-W316 WeakPolarHBondContact CB-O 3.32Å; M314-W316 WeakPolarHBondContact CG-O 3.01Å; W316-T318 PolarHBondContact O-N 2.92Å; W316-D319 PolarHBondContact O-N 3.3Å; W316-V372 HydrophobicContact CZ2-CG1 4.26Å; W316-V372 PolarHBondContact NE1-O 2.99Å; W316-V372 VanDerWaalsContact NE1-O 3.07Å
317W94.7Very high97.4Very high1 Ų17.4 Ų7.40%0.0044%0.037CC..G310 helixtrans-58.1-14.5-179.1-57.2107.2000114.4E128 A129 P142 Y190 M314 D319 L320 V372 I378 I381 F382E128-W317 HydrophobicContact CG-CH2 3.97Å; E128-W317 HydrophobicContact CG-CZ3 4.19Å; A129-W317 HydrophobicContact CB-CD2 4.41Å; A129-W317 HydrophobicContact CB-CH2 3.95Å; A129-W317 HydrophobicContact CB-CZ2 3.79Å; A129-W317 HydrophobicContact CB-CZ3 4.3Å; A129-W317 WeakPolarHBondContact O-CZ2 3.11Å; P142-W317 HydrophobicContact CG-CZ2 4.2Å; Y190-W317 HydrophobicContact CD1-CH2 4.19Å; Y190-W317 HydrophobicContact CD2-CH2 4.49Å; Y190-W317 HydrophobicContact CG-CH2 4.19Å; M314-W317 HydrophobicContact CE-CE3 3.82Å; M314-W317 HydrophobicContact CE-CZ3 3.7Å; M314-W317 HydrophobicContact SD-CZ3 4.47Å; W317-D319 PolarHBondContact O-N 3.07Å; W317-L320 HydrophobicContact CE3-CD1 4.12Å; W317-L320 HydrophobicContact CZ3-CD1 4.23Å; W317-L320 VanDerWaalsContact O-CB 3.25Å; W317-L320 WeakPolarHBondContact O-CB 3.47Å; W317-L320 PolarHBondContact O-N 3.27Å; W317-L320 VanDerWaalsContact O-N 3.09Å; W317-V372 HydrophobicContact CB-CB 4.38Å; W317-V372 HydrophobicContact CB-CG1 4.43Å; W317-V372 HydrophobicContact CB-CG2 4.04Å; W317-I378 HydrophobicContact CB-CD1 4.42Å; W317-I378 HydrophobicContact CB-CG1 4.08Å; W317-I378 HydrophobicContact CB-CG2 4.36Å; W317-I378 HydrophobicContact CD2-CD1 4.16Å; W317-I378 HydrophobicContact CD2-CG2 4.04Å; W317-I378 HydrophobicContact CE3-CG2 4.14Å; W317-I378 HydrophobicContact CG-CD1 3.72Å; W317-I378 HydrophobicContact CG-CG1 3.9Å; W317-I378 HydrophobicContact CG-CG2 4.12Å; W317-I381 HydrophobicContact CB-CD1 4.48Å; W317-I381 VanDerWaalsContact O-CD1 3.22Å; W317-I381 WeakPolarHBondContact O-CD1 3.5Å; W317-F382 HydrophobicContact CE3-CE2 4.43Å; W317-F382 HydrophobicContact CE3-CZ 4.37Å; W317-F382 HydrophobicContact CZ3-CE2 4.38Å; W317-F382 AromaticContact CZ3-CZ 3.99Å; W317-F382 HydrophobicContact CZ3-CZ 3.99Å
318T94.4Very high97.4Very high31 Ų317.4 Ų7.419%0.194%0.037CC..G310 helixtrans-56-33.6169.8-67.70000113.3W316 E369 V370 V372W316-T318 PolarHBondContact O-N 2.92Å; T318-E369 HydrophobicContact CG2-CB 4.39Å; T318-E369 WeakPolarHBondContact O-CA 3.45Å; T318-V370 WeakPolarHBondContact CA-O 3.22Å; T318-V370 VanDerWaalsContact CB-O 3.23Å; T318-V370 WeakPolarHBondContact CB-O 3.35Å; T318-V370 WeakPolarHBondContact CG2-O 3.43Å; T318-V370 PolarHBondContact O-N 3.24Å; T318-V370 PolarHBondContact OG1-O 2.89Å; T318-V372 PolarHBondContact OG1-N 3.27Å
319D95.8Very high97.4Very high11 Ų117.3 Ų7.36%0.0594%0.037CC..G310 helixtrans-101.326178.3-62.8-68.2000112.2M314 W316 W317 W321 L322 T424M314-D319 HydrophobicContact CB-CB 3.95Å; W316-D319 PolarHBondContact O-N 3.3Å; W317-D319 PolarHBondContact O-N 3.07Å; D319-W321 PolarHBondContact O-N 3.41Å; D319-L322 HydrophobicContact CB-CD1 3.78Å; D319-L322 HydrophobicContact CB-CG 4.08Å; D319-L322 WeakPolarHBondContact O-CB 3.3Å; D319-L322 WeakPolarHBondContact O-CG 3.4Å; D319-L322 PolarHBondContact O-N 3.12Å; D319-T424 VanDerWaalsContact OD1-CB 3.24Å; D319-T424 WeakPolarHBondContact OD1-CB 3.35Å; D319-T424 PolarHBondContact OD1-N 3.16Å; D319-T424 VanDerWaalsContact OD1-N 3.16Å; D319-T424 PolarHBondContact OD1-OG1 2.89Å
320L96.1Very high97.3Very high1 Ų17.2 Ų7.21%0.0054%0.036CC..THydrogen-bonded Turntrans-48.5-35.5-178.5172.661.2000113M314 W317 L322 K323 E324 I381 F382M314-L320 HydrophobicContact CE-CB 4.35Å; M314-L320 HydrophobicContact CE-CD1 3.45Å; M314-L320 VanDerWaalsContact CE-CD1 3.45Å; M314-L320 HydrophobicContact CE-CG 4.5Å; W317-L320 HydrophobicContact CE3-CD1 4.12Å; W317-L320 HydrophobicContact CZ3-CD1 4.23Å; W317-L320 VanDerWaalsContact O-CB 3.25Å; W317-L320 WeakPolarHBondContact O-CB 3.47Å; W317-L320 PolarHBondContact O-N 3.27Å; W317-L320 VanDerWaalsContact O-N 3.09Å; L320-L322 PolarHBondContact O-N 2.77Å; L320-L322 VanDerWaalsContact O-N 3.15Å; L320-K323 HydrophobicContact CD1-CD 4.47Å; L320-K323 WeakPolarHBondContact O-CB 3.49Å; L320-K323 PolarHBondContact O-N 3.11Å; L320-E324 HydrophobicContact CD1-CG 3.68Å; L320-E324 HydrophobicContact CG-CG 3.92Å; L320-E324 PolarHBondContact O-N 3.3Å; L320-E324 VanDerWaalsContact O-N 3.12Å; L320-I381 HydrophobicContact CB-CD1 4.13Å; L320-I381 HydrophobicContact CD2-CD1 3.92Å; L320-I381 HydrophobicContact CD2-CG1 3.88Å; L320-F382 HydrophobicContact CD1-CD1 4.43Å; L320-F382 HydrophobicContact CD1-CE1 3.65Å; L320-F382 HydrophobicContact CD1-CE2 4.25Å; L320-F382 HydrophobicContact CD1-CZ 3.53Å; L320-F382 HydrophobicContact CD2-CD1 3.89Å; L320-F382 HydrophobicContact CD2-CD2 3.81Å; L320-F382 HydrophobicContact CD2-CE1 3.88Å; L320-F382 HydrophobicContact CD2-CE2 3.78Å; L320-F382 HydrophobicContact CD2-CG 3.86Å; L320-F382 HydrophobicContact CD2-CZ 3.8Å; L320-F382 HydrophobicContact CG-CE1 4.36Å; L320-F382 HydrophobicContact CG-CZ 4.33Å
321W97.2Very high97.3Very high1 Ų17.4 Ų7.40%0.0044%0.037CC..Hα-helixtrans-60.9-22179.284.4-78.5000114.6D319 K323 G325 I368 I394 T424 L427 W428 T447D319-W321 PolarHBondContact O-N 3.41Å; W321-K323 PolarHBondContact O-N 3.01Å; W321-G325 VanDerWaalsContact O-CA 3.3Å; W321-G325 WeakPolarHBondContact O-CA 3.25Å; W321-G325 PolarHBondContact O-N 2.84Å; W321-I368 HydrophobicContact CB-CG2 3.33Å; W321-I368 HydrophobicContact CD2-CG2 3.53Å; W321-I368 HydrophobicContact CE3-CG2 4.2Å; W321-I368 HydrophobicContact CG-CG2 3.08Å; W321-I394 HydrophobicContact CE3-CD1 4.42Å; W321-I394 HydrophobicContact CZ3-CD1 4.01Å; W321-I394 HydrophobicContact CZ3-CG1 3.91Å; W321-T424 HydrophobicContact CZ2-CG2 3.93Å; W321-T424 PolarHBondContact NE1-OG1 3.1Å; W321-L427 HydrophobicContact CH2-CD2 3.77Å; W321-L427 HydrophobicContact CZ2-CD2 4.15Å; W321-W428 AromaticContact CH2-CH2 3.5Å; W321-W428 HydrophobicContact CH2-CH2 3.5Å; W321-W428 AromaticContact CH2-CZ2 3.79Å; W321-W428 HydrophobicContact CH2-CZ2 3.79Å; W321-W428 HydrophobicContact CH2-CZ3 4.43Å; W321-W428 HydrophobicContact CZ2-CH2 4.01Å; W321-W428 AromaticContact CZ2-CZ2 3.81Å; W321-W428 HydrophobicContact CZ2-CZ2 3.81Å; W321-T447 HydrophobicContact CH2-CG2 4.43Å; W321-T447 HydrophobicContact CZ2-CG2 4.04Å
322L97.8Very high97.3Very high5 Ų57.6 Ų7.63%0.0264%0.037CC..Hα-helixtrans-63.4-24.9174.2-67.6-178.1000112.3D319 L320 F326 L427D319-L322 HydrophobicContact CB-CD1 3.78Å; D319-L322 HydrophobicContact CB-CG 4.08Å; D319-L322 WeakPolarHBondContact O-CB 3.3Å; D319-L322 WeakPolarHBondContact O-CG 3.4Å; D319-L322 PolarHBondContact O-N 3.12Å; L320-L322 PolarHBondContact O-N 2.77Å; L320-L322 VanDerWaalsContact O-N 3.15Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-L427 HydrophobicContact CD2-CB 4.26Å; L322-L427 HydrophobicContact CD2-CD2 3.79Å
323K96.9Very high97.1Very high1 Ų19.7 Ų9.70%0.0045%0.046CC..Hα-helixtrans-88.5-66.4170.4174.1-162.5165.3-164.70109.2E128 E268 H305 F308 M314 L320 W321 F326 A327E128-K323 IonicContact OE1-NZ 3.26Å; E128-K323 PolarHBondContact OE1-NZ 3.04Å; E128-K323 IonicContact OE2-NZ 2.75Å; E128-K323 PolarHBondContact OE2-NZ 2.94Å; E268-K323 WeakPolarHBondContact OE1-CE 3.41Å; E268-K323 IonicContact OE1-NZ 2.73Å; E268-K323 PolarHBondContact OE1-NZ 3.27Å; E268-K323 WeakPolarHBondContact OE2-CE 3.39Å; E268-K323 IonicContact OE2-NZ 2.85Å; E268-K323 PolarHBondContact OE2-NZ 2.85Å; H305-K323 WeakPolarHBondContact CE1-CE 3.44Å; H305-K323 VanDerWaalsContact CE1-CG 3.41Å; H305-K323 WeakPolarHBondContact CE1-CG 3.25Å; H305-K323 VanDerWaalsContact ND1-CG 3.34Å; H305-K323 WeakPolarHBondContact ND1-CG 3.46Å; F308-K323 WeakPolarHBondContact O-CG 3.31Å; M314-K323 HydrophobicContact CE-CB 4.01Å; M314-K323 HydrophobicContact CE-CD 4.1Å; L320-K323 HydrophobicContact CD1-CD 4.47Å; L320-K323 WeakPolarHBondContact O-CB 3.49Å; L320-K323 PolarHBondContact O-N 3.11Å; W321-K323 PolarHBondContact O-N 3.01Å; K323-F326 PolarHBondContact O-N 3.39Å; K323-A327 PolarHBondContact O-N 3.07Å; K323-A327 VanDerWaalsContact O-N 3.15Å
324E97.9Very high97.1Very high1 Ų19.7 Ų9.71%0.0055%0.046CC..Hα-helixtrans-71.2-38.1-165.4-60.8-59.1169.500113.8H301 H305 L320 A328 F382 Y387H301-E324 IonicContact NE2-OE2 3.94Å; H301-E324 PolarHBondContact NE2-OE2 3.32Å; H305-E324 IonicContact CE1-OE2 3.78Å; H305-E324 PolarHBondContact CE1-OE2 3.36Å; H305-E324 IonicContact NE2-OE2 3.12Å; L320-E324 HydrophobicContact CD1-CG 3.68Å; L320-E324 HydrophobicContact CG-CG 3.92Å; L320-E324 PolarHBondContact O-N 3.3Å; L320-E324 VanDerWaalsContact O-N 3.12Å; E324-A328 WeakPolarHBondContact O-CB 3.33Å; E324-A328 PolarHBondContact O-N 3.45Å; E324-F382 HydrophobicContact CG-CE1 4.31Å; E324-F382 WeakPolarHBondContact OE1-CE1 3.42Å; E324-Y387 HydrophobicContact CB-CD1 4.02Å; E324-Y387 HydrophobicContact CB-CD2 4.2Å; E324-Y387 HydrophobicContact CB-CE1 3.96Å; E324-Y387 HydrophobicContact CB-CE2 4.17Å; E324-Y387 HydrophobicContact CB-CG 4.14Å; E324-Y387 HydrophobicContact CG-CD2 4.5Å; E324-Y387 HydrophobicContact CG-CE1 4.1Å; E324-Y387 HydrophobicContact CG-CE2 4Å; E324-Y387 PolarHBondContact OE1-OH 2.91Å; E324-Y387 WeakPolarHBondContact OE2-CE1 3.43Å; E324-Y387 PolarHBondContact OE2-OH 2.95Å
325G98Very high97.1Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-65.9-39.5178.200000112W321 W329 S386 A391 I394W321-G325 VanDerWaalsContact O-CA 3.3Å; W321-G325 WeakPolarHBondContact O-CA 3.25Å; W321-G325 PolarHBondContact O-N 2.84Å; G325-W329 WeakPolarHBondContact O-CB 3.13Å; G325-W329 PolarHBondContact O-N 3.15Å; G325-W329 VanDerWaalsContact O-N 3.07Å; G325-S386 PolarHBondContact N-O 2.91Å; G325-A391 WeakPolarHBondContact O-CA 3.42Å; G325-A391 WeakPolarHBondContact O-CB 2.88Å; G325-I394 VanDerWaalsContact C-CD1 3.41Å; G325-I394 WeakPolarHBondContact O-CD1 3.33Å
326F98.2Very high97.1Very high0 Ų08.5 Ų8.50%04%0.042CC..Hα-helixtrans-70.1-46.2178.5-89.3-79.1000112.4F308 L322 K323 W329 I330 I394 F406 L410 L427F308-F326 HydrophobicContact CB-CB 4.08Å; F308-F326 HydrophobicContact CD1-CB 3.74Å; F308-F326 HydrophobicContact CD1-CD1 4.25Å; F308-F326 HydrophobicContact CD1-CD2 4.13Å; F308-F326 AromaticContact CD1-CG 3.76Å; F308-F326 HydrophobicContact CD1-CG 3.76Å; F308-F326 HydrophobicContact CD2-CB 3.77Å; F308-F326 HydrophobicContact CD2-CG 4.41Å; F308-F326 HydrophobicContact CE1-CB 4.11Å; F308-F326 AromaticContact CE1-CD1 3.76Å; F308-F326 HydrophobicContact CE1-CD1 3.76Å; F308-F326 HydrophobicContact CE1-CD2 4.22Å; F308-F326 HydrophobicContact CE1-CE1 4.25Å; F308-F326 AromaticContact CE1-CG 3.75Å; F308-F326 HydrophobicContact CE1-CG 3.75Å; F308-F326 HydrophobicContact CE2-CB 4.09Å; F308-F326 HydrophobicContact CE2-CD1 4.12Å; F308-F326 HydrophobicContact CE2-CG 4.34Å; F308-F326 HydrophobicContact CG-CB 3.59Å; F308-F326 HydrophobicContact CG-CG 4.14Å; F308-F326 HydrophobicContact CZ-CB 4.3Å; F308-F326 AromaticContact CZ-CD1 3.72Å; F308-F326 HydrophobicContact CZ-CD1 3.72Å; F308-F326 HydrophobicContact CZ-CE1 4.32Å; F308-F326 HydrophobicContact CZ-CG 4.08Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; K323-F326 PolarHBondContact O-N 3.39Å; F326-W329 HydrophobicContact CD1-CE3 4.45Å; F326-W329 PolarHBondContact O-N 3.47Å; F326-I330 WeakPolarHBondContact O-CG2 3.46Å; F326-I330 PolarHBondContact O-N 2.88Å; F326-I394 HydrophobicContact CB-CD1 4.28Å; F326-I394 HydrophobicContact CD1-CD1 3.88Å; F326-I394 HydrophobicContact CD1-CG2 4.26Å; F326-I394 HydrophobicContact CD2-CD1 3.63Å; F326-I394 HydrophobicContact CE1-CD1 4.03Å; F326-I394 HydrophobicContact CE1-CG1 4.33Å; F326-I394 HydrophobicContact CE1-CG2 3.96Å; F326-I394 HydrophobicContact CE2-CD1 3.8Å; F326-I394 HydrophobicContact CE2-CG1 4.32Å; F326-I394 HydrophobicContact CG-CD1 3.68Å; F326-I394 HydrophobicContact CZ-CD1 3.99Å; F326-I394 HydrophobicContact CZ-CG1 4.18Å; F326-F406 HydrophobicContact CE1-CZ 4.25Å; F326-L410 HydrophobicContact CD1-CD1 4.13Å; F326-L410 HydrophobicContact CE1-CD1 3.44Å; F326-L410 VanDerWaalsContact CE1-CD1 3.44Å; F326-L410 HydrophobicContact CE1-CD2 4.18Å; F326-L410 HydrophobicContact CE1-CG 4.46Å; F326-L410 HydrophobicContact CZ-CD1 3.84Å; F326-L427 HydrophobicContact CE2-CD1 4.05Å; F326-L427 HydrophobicContact CE2-CD2 3.64Å; F326-L427 HydrophobicContact CZ-CD1 3.83Å; F326-L427 HydrophobicContact CZ-CD2 3.84Å; F326-L427 HydrophobicContact CZ-CG 4.45Å
327A98.5Very high97.2Very high0 Ų013.5 Ų13.50%07%0.066CC..Hα-helixtrans-60.9-45.6175.800000111.3H301 A304 H305 K323 W329 I330 E331H301-A327 VanDerWaalsContact CE1-CB 3.47Å; H301-A327 WeakPolarHBondContact CE1-CB 3.38Å; A304-A327 HydrophobicContact CB-CB 4.16Å; H305-A327 WeakPolarHBondContact CE1-CB 3.31Å; K323-A327 PolarHBondContact O-N 3.07Å; K323-A327 VanDerWaalsContact O-N 3.15Å; A327-W329 PolarHBondContact O-N 3.25Å; A327-I330 PolarHBondContact O-N 3.12Å; A327-E331 WeakPolarHBondContact O-CB 3.27Å; A327-E331 PolarHBondContact O-N 2.94Å
328A98.3Very high97.3Very high0 Ų014.8 Ų14.80%08%0.075CC..Hα-helixtrans-64.6-23.6177.700000114.3H301 E324 E331 Y387 A391H301-A328 PolarHBondContact CE1-N 3.49Å; H301-A328 PolarHBondContact ND1-N 3.03Å; E324-A328 WeakPolarHBondContact O-CB 3.33Å; E324-A328 PolarHBondContact O-N 3.45Å; A328-E331 WeakPolarHBondContact O-CG 3.43Å; A328-Y387 HydrophobicContact CB-CD1 4.3Å; A328-A391 HydrophobicContact CB-CB 3.91Å
329W98Very high97.4Very high0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-82-52.3173171.269000111.8G325 F326 A327 E331 Y332 F333 A391 I394 H398 F406G325-W329 WeakPolarHBondContact O-CB 3.13Å; G325-W329 PolarHBondContact O-N 3.15Å; G325-W329 VanDerWaalsContact O-N 3.07Å; F326-W329 HydrophobicContact CD1-CE3 4.45Å; F326-W329 PolarHBondContact O-N 3.47Å; A327-W329 PolarHBondContact O-N 3.25Å; W329-E331 VanDerWaalsContact C-N 3.34Å; W329-E331 PolarHBondContact O-N 2.9Å; W329-Y332 PolarHBondContact O-N 2.71Å; W329-F333 HydrophobicContact CD2-CD2 4.48Å; W329-F333 AromaticContact CE2-CD2 3.8Å; W329-F333 AromaticContact CE2-CE2 3.55Å; W329-F333 HydrophobicContact CH2-CE2 4.45Å; W329-F333 AromaticContact CZ2-CD2 3.84Å; W329-F333 HydrophobicContact CZ2-CD2 3.84Å; W329-F333 HydrophobicContact CZ2-CE1 4.49Å; W329-F333 AromaticContact CZ2-CE2 3.46Å; W329-F333 HydrophobicContact CZ2-CE2 3.46Å; W329-F333 VanDerWaalsContact CZ2-CE2 3.46Å; W329-F333 AromaticContact CZ2-CZ 3.84Å; W329-F333 HydrophobicContact CZ2-CZ 3.84Å; W329-F333 AromaticContact NE1-CD2 3.88Å; W329-F333 AromaticContact NE1-CE2 3.45Å; W329-A391 HydrophobicContact CB-CB 3.85Å; W329-I394 HydrophobicContact CB-CB 4.38Å; W329-I394 HydrophobicContact CB-CG2 4.1Å; W329-I394 HydrophobicContact CD2-CB 4.48Å; W329-I394 HydrophobicContact CD2-CG2 3.44Å; W329-I394 VanDerWaalsContact CD2-CG2 3.44Å; W329-I394 HydrophobicContact CE3-CG2 3.6Å; W329-I394 HydrophobicContact CG-CB 4.23Å; W329-I394 HydrophobicContact CG-CG2 3.66Å; W329-I394 HydrophobicContact CZ3-CG2 4.25Å; W329-H398 HydrophobicContact CZ2-CB 4.06Å; W329-H398 AromaticContact CZ2-CD2 3.98Å; W329-H398 AromaticContact CZ2-CG 3.83Å; W329-F406 HydrophobicContact CH2-CD1 4.05Å; W329-F406 AromaticContact CH2-CE1 3.39Å; W329-F406 HydrophobicContact CH2-CE1 3.39Å; W329-F406 HydrophobicContact CH2-CZ 4.09Å; W329-F406 HydrophobicContact CZ2-CE1 4.14Å; W329-F406 AromaticContact CZ3-CE1 3.67Å; W329-F406 HydrophobicContact CZ3-CE1 3.67Å; W329-F406 HydrophobicContact CZ3-CZ 4.2Å
330I97.8Very high97.4Very high0 Ų017.7 Ų17.70%09%0.093CC..Hα-helixtrans-80.1-16.6-169.6-151175.6000113.1Y241 Y244 F245 A304 F326 A327 Y332 F333 C334Y241-I330 HydrophobicContact CD1-CD1 4.03Å; Y241-I330 HydrophobicContact CD1-CG2 4.48Å; Y241-I330 HydrophobicContact CE1-CB 4.25Å; Y241-I330 HydrophobicContact CE1-CD1 3.81Å; Y241-I330 HydrophobicContact CE1-CG1 3.88Å; Y241-I330 HydrophobicContact CE1-CG2 3.55Å; Y244-I330 HydrophobicContact CD1-CD1 3.75Å; Y244-I330 HydrophobicContact CE1-CD1 3.83Å; Y244-I330 HydrophobicContact CG-CD1 4.48Å; F245-I330 HydrophobicContact CE1-CD1 3.52Å; F245-I330 HydrophobicContact CZ-CD1 3.36Å; A304-I330 HydrophobicContact CB-CG2 3.55Å; F326-I330 WeakPolarHBondContact O-CG2 3.46Å; F326-I330 PolarHBondContact O-N 2.88Å; A327-I330 PolarHBondContact O-N 3.12Å; I330-Y332 PolarHBondContact O-N 3.07Å; I330-F333 HydrophobicContact CG1-CB 3.94Å; I330-F333 PolarHBondContact O-N 3.48Å; I330-F333 VanDerWaalsContact O-N 3.15Å; I330-C334 WeakPolarHBondContact O-CB 3.47Å; I330-C334 PolarHBondContact O-N 3.24Å
331E98.2Very high97.3Very high4 Ų422.6 Ų22.62%0.01912%0.115CC..Hα-helixtrans-52.9-40.1171.471.5-174.6-156.100111.5H301 A327 A328 W329 S335 R352H301-E331 HydrophobicContact CB-CB 4.13Å; H301-E331 IonicContact CE1-OE2 3.5Å; H301-E331 IonicContact CG-OE2 3.38Å; H301-E331 IonicContact ND1-OE2 3.09Å; H301-E331 PolarHBondContact ND1-OE2 2.78Å; A327-E331 WeakPolarHBondContact O-CB 3.27Å; A327-E331 PolarHBondContact O-N 2.94Å; A328-E331 WeakPolarHBondContact O-CG 3.43Å; W329-E331 VanDerWaalsContact C-N 3.34Å; W329-E331 PolarHBondContact O-N 2.9Å; E331-S335 WeakPolarHBondContact O-CB 3.49Å; E331-S335 PolarHBondContact O-N 2.85Å; E331-S335 PolarHBondContact O-OG 3.36Å; E331-R352 VanDerWaalsContact CD-NH2 3.27Å; E331-R352 IonicContact OE1-CZ 2.92Å; E331-R352 VanDerWaalsContact OE1-CZ 3.31Å; E331-R352 IonicContact OE1-NE 3.32Å; E331-R352 PolarHBondContact OE1-NE 3.24Å; E331-R352 VanDerWaalsContact OE1-NE 3.17Å; E331-R352 IonicContact OE1-NH2 3.94Å; E331-R352 PolarHBondContact OE1-NH2 2.82Å; E331-R352 IonicContact OE2-NH2 2.94Å; E331-R352 PolarHBondContact OE2-NH2 3.4Å; E331-R352 VanDerWaalsContact OE2-NH2 3.12Å
332Y97.7Very high97.2Very high7 Ų722.6 Ų22.63%0.02712%0.116CC..Hα-helixtrans-75.2-39.9-179.7-75.9-81.3000111.1T297 W329 I330 S335 D336 I344 H347 F348 N351 R352T297-Y332 HydrophobicContact CG2-CE1 4.48Å; W329-Y332 PolarHBondContact O-N 2.71Å; I330-Y332 PolarHBondContact O-N 3.07Å; Y332-S335 PolarHBondContact O-N 3.36Å; Y332-D336 WeakPolarHBondContact O-CB 3.48Å; Y332-D336 PolarHBondContact O-N 2.94Å; Y332-I344 HydrophobicContact CD1-CG1 3.96Å; Y332-I344 VanDerWaalsContact CD1-O 3.28Å; Y332-I344 WeakPolarHBondContact CD1-O 3.29Å; Y332-I344 HydrophobicContact CE1-CD1 4.47Å; Y332-I344 HydrophobicContact CE1-CG1 3.97Å; Y332-H347 HydrophobicContact CE1-CB 4.03Å; Y332-F348 HydrophobicContact CD1-CB 4.32Å; Y332-F348 HydrophobicContact CD2-CB 4.24Å; Y332-F348 AromaticContact CD2-CD2 3.58Å; Y332-F348 HydrophobicContact CD2-CD2 3.58Å; Y332-F348 HydrophobicContact CD2-CE2 4.48Å; Y332-F348 HydrophobicContact CD2-CG 4.41Å; Y332-F348 HydrophobicContact CE2-CD2 4.03Å; Y332-F348 HydrophobicContact CG-CB 4.13Å; Y332-F348 HydrophobicContact CG-CD2 4.14Å; Y332-N351 VanDerWaalsContact OH-CB 3.24Å; Y332-N351 WeakPolarHBondContact OH-CB 3.26Å; Y332-N351 PolarHBondContact OH-ND2 2.86Å; Y332-N351 VanDerWaalsContact OH-ND2 3.15Å; Y332-R352 HydrophobicContact CD2-CG 4.34Å; Y332-R352 HydrophobicContact CE2-CG 3.59Å
333F95Very high97Very high48 Ų4825.4 Ų25.421%0.21113%0.131CC..Hα-helixtrans-60.1-47174.2-95.7-99.7000111.8W329 I330 H337 W345 H398W329-F333 HydrophobicContact CD2-CD2 4.48Å; W329-F333 AromaticContact CE2-CD2 3.8Å; W329-F333 AromaticContact CE2-CE2 3.55Å; W329-F333 HydrophobicContact CH2-CE2 4.45Å; W329-F333 AromaticContact CZ2-CD2 3.84Å; W329-F333 HydrophobicContact CZ2-CD2 3.84Å; W329-F333 HydrophobicContact CZ2-CE1 4.49Å; W329-F333 AromaticContact CZ2-CE2 3.46Å; W329-F333 HydrophobicContact CZ2-CE2 3.46Å; W329-F333 VanDerWaalsContact CZ2-CE2 3.46Å; W329-F333 AromaticContact CZ2-CZ 3.84Å; W329-F333 HydrophobicContact CZ2-CZ 3.84Å; W329-F333 AromaticContact NE1-CD2 3.88Å; W329-F333 AromaticContact NE1-CE2 3.45Å; I330-F333 HydrophobicContact CG1-CB 3.94Å; I330-F333 PolarHBondContact O-N 3.48Å; I330-F333 VanDerWaalsContact O-N 3.15Å; F333-H337 VanDerWaalsContact O-CB 3.29Å; F333-H337 WeakPolarHBondContact O-CB 3.33Å; F333-H337 PolarHBondContact O-N 3.46Å; F333-W345 AromaticContact CD2-CE3 3.84Å; F333-W345 HydrophobicContact CD2-CE3 3.84Å; F333-W345 AromaticContact CD2-CH2 3.69Å; F333-W345 HydrophobicContact CD2-CH2 3.69Å; F333-W345 AromaticContact CD2-CZ3 3.22Å; F333-W345 HydrophobicContact CD2-CZ3 3.22Å; F333-W345 AromaticContact CE2-CE3 3.99Å; F333-W345 HydrophobicContact CE2-CE3 3.99Å; F333-W345 AromaticContact CE2-CH2 3.19Å; F333-W345 HydrophobicContact CE2-CH2 3.19Å; F333-W345 AromaticContact CE2-CZ2 3.82Å; F333-W345 HydrophobicContact CE2-CZ2 3.82Å; F333-W345 AromaticContact CE2-CZ3 3.26Å; F333-W345 HydrophobicContact CE2-CZ3 3.26Å; F333-W345 HydrophobicContact CG-CZ3 4.31Å; F333-W345 HydrophobicContact CZ-CH2 4.16Å; F333-W345 HydrophobicContact CZ-CZ2 4.4Å; F333-W345 HydrophobicContact CZ-CZ3 4.37Å; F333-H398 AromaticContact CZ-CE1 3.63Å; F333-H398 AromaticContact CZ-ND1 3.98Å
334C98.1Very high96.9Very high0 Ų025.4 Ų25.40%013%0.131CC..Hα-helixtrans-64.8-48.7178.3-1800000111.1S237 F240 Y241 I330 D336 H337 C338S237-C334 VanDerWaalsContact CB-SG 3.5Å; S237-C334 PolarHBondContact OG-SG 3.46Å; S237-C334 VanDerWaalsContact OG-SG 3.37Å; F240-C334 HydrophobicContact CD1-CB 3.61Å; F240-C334 VanDerWaalsContact CD1-SG 3.52Å; F240-C334 HydrophobicContact CE1-CB 3.55Å; F240-C334 HydrophobicContact CG-CB 4.48Å; F240-C334 HydrophobicContact CZ-CB 4.37Å; Y241-C334 HydrophobicContact CE1-CB 3.82Å; Y241-C334 HydrophobicContact CE2-CB 4.25Å; Y241-C334 VanDerWaalsContact OH-CB 3.24Å; Y241-C334 WeakPolarHBondContact OH-CB 3.15Å; I330-C334 WeakPolarHBondContact O-CB 3.47Å; I330-C334 PolarHBondContact O-N 3.24Å; C334-D336 PolarHBondContact O-N 3.24Å; C334-H337 PolarHBondContact O-N 3.4Å; C334-C338 WeakPolarHBondContact O-CB 3.38Å; C334-C338 PolarHBondContact O-N 3.22Å; C334-C338 PolarHBondContact O-SG 3.07Å; C334-C338 VanDerWaalsContact O-SG 3.37Å
335S98Very high96.7Very high1 Ų128.3 Ų28.31%0.00714%0.142CC..Hα-helixtrans-62.1-43.1-179.1-58.90000111.7S300 E331 Y332 C338 Y339S300-S335 PolarHBondContact OG-OG 3.09Å; E331-S335 WeakPolarHBondContact O-CB 3.49Å; E331-S335 PolarHBondContact O-N 2.85Å; E331-S335 PolarHBondContact O-OG 3.36Å; Y332-S335 PolarHBondContact O-N 3.36Å; S335-C338 PolarHBondContact O-N 2.7Å; S335-Y339 WeakPolarHBondContact O-CA 3.24Å; S335-Y339 WeakPolarHBondContact O-CB 3.43Å; S335-Y339 PolarHBondContact O-N 2.95Å
336D96.6Very high96.5Very high48 Ų4828.8 Ų28.826%0.25714%0.144SC..Hα-helixtrans-67.3-37.2178.2-164.877.4000112.2Y332 C334 P340 I344 W345Y332-D336 WeakPolarHBondContact O-CB 3.48Å; Y332-D336 PolarHBondContact O-N 2.94Å; C334-D336 PolarHBondContact O-N 3.24Å; D336-P340 WeakPolarHBondContact O-CA 3.12Å; D336-P340 WeakPolarHBondContact O-CB 3.28Å; D336-P340 VanDerWaalsContact O-N 3.17Å; D336-I344 HydrophobicContact CB-CG2 3.91Å; D336-I344 PolarHBondContact OD1-N 2.85Å; D336-W345 HydrophobicContact CB-CB 4.14Å; D336-W345 PolarHBondContact OD1-N 2.89Å
337H97Very high96.4Very high124 Ų12428.8 Ų28.857%0.57415%0.145SC*.Hα-helixtrans-67.5-45.5175.8-176.584.5000112.6F240 F333 C334F240-H337 HydrophobicContact CD2-CB 4.02Å; F240-H337 AromaticContact CD2-CD2 3.37Å; F240-H337 WeakPolarHBondContact CD2-CD2 3.41Å; F240-H337 AromaticContact CD2-CG 3.67Å; F240-H337 AromaticContact CD2-NE2 3.99Å; F240-H337 HydrophobicContact CE2-CB 3.64Å; F240-H337 AromaticContact CE2-CD2 3.76Å; F240-H337 AromaticContact CE2-CG 3.54Å; F240-H337 HydrophobicContact CZ-CB 4.38Å; F333-H337 VanDerWaalsContact O-CB 3.29Å; F333-H337 WeakPolarHBondContact O-CB 3.33Å; F333-H337 PolarHBondContact O-N 3.46Å; C334-H337 PolarHBondContact O-N 3.4Å
338C97.4Very high96.3Very high27 Ų2728.9 Ų28.918%0.18215%0.145CC..Hα-helixtrans-79.2-29.3-176.3-66.40000112.5H236 C334 S335H236-C338 HydrophobicContact CB-CB 4.16Å; C334-C338 WeakPolarHBondContact O-CB 3.38Å; C334-C338 PolarHBondContact O-N 3.22Å; C334-C338 PolarHBondContact O-SG 3.07Å; C334-C338 VanDerWaalsContact O-SG 3.37Å; S335-C338 PolarHBondContact O-N 2.7Å
339Y96.7Very high96.1Very high18 Ų1829 Ų297%0.07115%0.146CC..  trans-135.261.7-175.5-57.1-79.2000111.6N232 V233 T296 S335 E341 M342N232-Y339 PolarHBondContact OD1-OH 2.94Å; V233-Y339 WeakPolarHBondContact CA-OH 3.4Å; V233-Y339 HydrophobicContact CB-CE2 4.39Å; V233-Y339 HydrophobicContact CG1-CE2 4.27Å; V233-Y339 HydrophobicContact CG2-CE2 3.94Å; V233-Y339 PolarHBondContact N-OH 2.88Å; T296-Y339 HydrophobicContact CG2-CD2 3.46Å; T296-Y339 VanDerWaalsContact CG2-CD2 3.46Å; T296-Y339 HydrophobicContact CG2-CE2 3.83Å; T296-Y339 HydrophobicContact CG2-CG 4.3Å; S335-Y339 WeakPolarHBondContact O-CA 3.24Å; S335-Y339 WeakPolarHBondContact O-CB 3.43Å; S335-Y339 PolarHBondContact O-N 2.95Å; Y339-E341 VanDerWaalsContact CA-OE2 3.28Å; Y339-E341 WeakPolarHBondContact CA-OE2 3.34Å; Y339-E341 PolarHBondContact O-N 3.47Å; Y339-E341 VanDerWaalsContact O-N 3.09Å; Y339-M342 HydrophobicContact CG-SD 4.44Å; Y339-M342 WeakPolarHBondContact O-CB 3.43Å; Y339-M342 PolarHBondContact O-N 2.88Å
340P96.2Very high95.8Very high85 Ų8530.1 Ų30.155%0.55215%0.15SC*.G310 helixtrans-64.2-18.4-174.127.1-36.3000113.4D336 M342 D343D336-P340 WeakPolarHBondContact O-CA 3.12Å; D336-P340 WeakPolarHBondContact O-CB 3.28Å; D336-P340 VanDerWaalsContact O-N 3.17Å; P340-M342 PolarHBondContact O-N 2.87Å; P340-D343 PolarHBondContact O-N 2.84Å
341E93.9Very high95.7Very high104 Ų10432.5 Ų32.549%0.48616%0.163SC..G310 helixtrans-66.7-14.3175.580-74.7-179.600113.6K292 Y339K292-E341 IonicContact NZ-OE1 2.77Å; K292-E341 PolarHBondContact NZ-OE1 3.36Å; Y339-E341 VanDerWaalsContact CA-OE2 3.28Å; Y339-E341 WeakPolarHBondContact CA-OE2 3.34Å; Y339-E341 PolarHBondContact O-N 3.47Å; Y339-E341 VanDerWaalsContact O-N 3.09Å
342M94.6Very high95.6Very high1 Ų134.4 Ų34.41%0.00517%0.17CC..G310 helixtrans-86.4-19.7177.2-65.917355.900112.9K292 E293 Y339 P340 I344 H661 N662K292-M342 HydrophobicContact CD-SD 4.01Å; K292-M342 HydrophobicContact CG-CE 4.41Å; K292-M342 HydrophobicContact CG-SD 4.18Å; E293-M342 VanDerWaalsContact CA-CE 3.48Å; E293-M342 HydrophobicContact CB-CE 3.86Å; Y339-M342 HydrophobicContact CG-SD 4.44Å; Y339-M342 WeakPolarHBondContact O-CB 3.43Å; Y339-M342 PolarHBondContact O-N 2.88Å; P340-M342 PolarHBondContact O-N 2.87Å; M342-I344 HydrophobicContact CB-CB 4.28Å; M342-I344 HydrophobicContact CE-CD1 4.03Å; M342-I344 PolarHBondContact O-N 3.03Å; M342-H661 HydrophobicContact CG-CB 4.48Å; M342-H661 PolarHBondContact O-CD2 2.83Å; M342-N662 PolarHBondContact O-OD1 2.83Å
343D93.4Very high95.5Very high65 Ų6534.3 Ų34.335%0.34817%0.17SC..  trans4841.4-176.5-175.438.3000112.3P340 W345 T346 N662P340-D343 PolarHBondContact O-N 2.84Å; D343-W345 VanDerWaalsContact C-N 3.29Å; D343-W345 PolarHBondContact O-N 3.48Å; D343-T346 PolarHBondContact O-N 2.65Å; D343-T346 PolarHBondContact O-OG1 3.29Å; D343-T346 WeakPolarHBondContact OD1-CG2 3.19Å; D343-T346 WeakPolarHBondContact OD2-CG2 3.3Å; D343-N662 PolarHBondContact OD2-ND2 3.24Å
344I94.8Very high95.6Very high0 Ų032 Ų320%016%0.16CC..THydrogen-bonded Turntrans-75.6-20.1-166.7-163.3169.4000112.2E293 T297 Y332 D336 M342 T346 H347E293-I344 HydrophobicContact CB-CD1 4.29Å; E293-I344 HydrophobicContact CG-CD1 3.61Å; E293-I344 HydrophobicContact CG-CG1 4.41Å; T297-I344 HydrophobicContact CG2-CD1 3.27Å; T297-I344 HydrophobicContact CG2-CG1 4.39Å; Y332-I344 HydrophobicContact CD1-CG1 3.96Å; Y332-I344 VanDerWaalsContact CD1-O 3.28Å; Y332-I344 WeakPolarHBondContact CD1-O 3.29Å; Y332-I344 HydrophobicContact CE1-CD1 4.47Å; Y332-I344 HydrophobicContact CE1-CG1 3.97Å; D336-I344 HydrophobicContact CB-CG2 3.91Å; D336-I344 PolarHBondContact OD1-N 2.85Å; M342-I344 HydrophobicContact CB-CB 4.28Å; M342-I344 HydrophobicContact CE-CD1 4.03Å; M342-I344 PolarHBondContact O-N 3.03Å; I344-T346 PolarHBondContact O-N 2.8Å; I344-H347 HydrophobicContact CG1-CB 4.44Å; I344-H347 VanDerWaalsContact O-CB 3.29Å; I344-H347 WeakPolarHBondContact O-CB 3.15Å; I344-H347 PolarHBondContact O-N 3.15Å
345W95Very high95.5Very high63 Ų6333.3 Ų33.324%0.23917%0.169CC..Hα-helixtrans-55.7-34.3173.9-179-109.1000112F333 D336 D343 H347 F348 N395F333-W345 AromaticContact CD2-CE3 3.84Å; F333-W345 HydrophobicContact CD2-CE3 3.84Å; F333-W345 AromaticContact CD2-CH2 3.69Å; F333-W345 HydrophobicContact CD2-CH2 3.69Å; F333-W345 AromaticContact CD2-CZ3 3.22Å; F333-W345 HydrophobicContact CD2-CZ3 3.22Å; F333-W345 AromaticContact CE2-CE3 3.99Å; F333-W345 HydrophobicContact CE2-CE3 3.99Å; F333-W345 AromaticContact CE2-CH2 3.19Å; F333-W345 HydrophobicContact CE2-CH2 3.19Å; F333-W345 AromaticContact CE2-CZ2 3.82Å; F333-W345 HydrophobicContact CE2-CZ2 3.82Å; F333-W345 AromaticContact CE2-CZ3 3.26Å; F333-W345 HydrophobicContact CE2-CZ3 3.26Å; F333-W345 HydrophobicContact CG-CZ3 4.31Å; F333-W345 HydrophobicContact CZ-CH2 4.16Å; F333-W345 HydrophobicContact CZ-CZ2 4.4Å; F333-W345 HydrophobicContact CZ-CZ3 4.37Å; D336-W345 HydrophobicContact CB-CB 4.14Å; D336-W345 PolarHBondContact OD1-N 2.89Å; D343-W345 VanDerWaalsContact C-N 3.29Å; D343-W345 PolarHBondContact O-N 3.48Å; W345-H347 PolarHBondContact O-N 3.23Å; W345-F348 HydrophobicContact CE3-CB 4.47Å; W345-F348 HydrophobicContact CH2-CD1 4.35Å; W345-F348 HydrophobicContact CH2-CD2 4.37Å; W345-F348 HydrophobicContact CH2-CG 4.17Å; W345-F348 HydrophobicContact CZ3-CB 4.35Å; W345-F348 HydrophobicContact CZ3-CD2 4.23Å; W345-F348 HydrophobicContact CZ3-CG 4.23Å; W345-F348 VanDerWaalsContact O-CB 3.24Å; W345-F348 WeakPolarHBondContact O-CB 3.31Å; W345-F348 PolarHBondContact O-N 2.92Å; W345-F348 VanDerWaalsContact O-N 3.12Å; W345-N395 WeakPolarHBondContact CH2-OD1 3.42Å; W345-N395 WeakPolarHBondContact CZ2-OD1 3.36Å
346T93.7Very high95.5Very high9 Ų933.2 Ų33.26%0.05517%0.168CC..Hα-helixtrans-63.6-23.6176.964.90000113.1D343 I344 F348 T569 S608D343-T346 PolarHBondContact O-N 2.65Å; D343-T346 PolarHBondContact O-OG1 3.29Å; D343-T346 WeakPolarHBondContact OD1-CG2 3.19Å; D343-T346 WeakPolarHBondContact OD2-CG2 3.3Å; I344-T346 PolarHBondContact O-N 2.8Å; T346-F348 VanDerWaalsContact C-N 3.34Å; T346-T569 HydrophobicContact CG2-CG2 3.99Å; T346-S608 PolarHBondContact O-OG 3.42Å; T346-S608 PolarHBondContact OG1-OG 2.94Å
347H95.4Very high95.5Very high1 Ų131.1 Ų31.11%0.00516%0.157CC..Hα-helixtrans-77-21.4178.9-62.3-171.1000112.3E293 Y332 I344 W345 S349 Y350 N351 Y607 S608 N662 M665E293-H347 IonicContact OE1-CE1 3.67Å; E293-H347 IonicContact OE1-CG 3.42Å; E293-H347 IonicContact OE1-ND1 3.84Å; E293-H347 PolarHBondContact OE1-ND1 3.25Å; E293-H347 IonicContact OE2-CE1 2.87Å; E293-H347 PolarHBondContact OE2-CE1 2.95Å; E293-H347 IonicContact OE2-ND1 3.62Å; E293-H347 PolarHBondContact OE2-ND1 3.44Å; Y332-H347 HydrophobicContact CE1-CB 4.03Å; I344-H347 HydrophobicContact CG1-CB 4.44Å; I344-H347 VanDerWaalsContact O-CB 3.29Å; I344-H347 WeakPolarHBondContact O-CB 3.15Å; I344-H347 PolarHBondContact O-N 3.15Å; W345-H347 PolarHBondContact O-N 3.23Å; H347-S349 PolarHBondContact O-N 3.45Å; H347-Y350 PolarHBondContact O-N 3.35Å; H347-Y350 VanDerWaalsContact O-N 3.11Å; H347-N351 WeakPolarHBondContact O-CB 3.2Å; H347-N351 PolarHBondContact O-N 2.96Å; H347-Y607 AromaticContact CE1-CD1 3.78Å; H347-Y607 AromaticContact CE1-CE1 3.94Å; H347-Y607 AromaticContact NE2-CD1 3.4Å; H347-Y607 WeakPolarHBondContact NE2-CD1 3.37Å; H347-Y607 AromaticContact NE2-CE1 3.97Å; H347-S608 PolarHBondContact CD2-OG 3.09Å; H347-S608 VanDerWaalsContact CD2-OG 3.26Å; H347-N662 PolarHBondContact CE1-OD1 2.83Å; H347-N662 PolarHBondContact NE2-OD1 3.06Å; H347-M665 VanDerWaalsContact CE1-SD 3.57Å
348F96.4Very high95.5Very high2 Ų229.6 Ų29.61%0.00915%0.146CC..Hα-helixtrans-53.5-43.4176.5178.8-90.5000111.8Y332 W345 T346 Y350 R352 L353 A391 N395Y332-F348 HydrophobicContact CD1-CB 4.32Å; Y332-F348 HydrophobicContact CD2-CB 4.24Å; Y332-F348 AromaticContact CD2-CD2 3.58Å; Y332-F348 HydrophobicContact CD2-CD2 3.58Å; Y332-F348 HydrophobicContact CD2-CE2 4.48Å; Y332-F348 HydrophobicContact CD2-CG 4.41Å; Y332-F348 HydrophobicContact CE2-CD2 4.03Å; Y332-F348 HydrophobicContact CG-CB 4.13Å; Y332-F348 HydrophobicContact CG-CD2 4.14Å; W345-F348 HydrophobicContact CE3-CB 4.47Å; W345-F348 HydrophobicContact CH2-CD1 4.35Å; W345-F348 HydrophobicContact CH2-CD2 4.37Å; W345-F348 HydrophobicContact CH2-CG 4.17Å; W345-F348 HydrophobicContact CZ3-CB 4.35Å; W345-F348 HydrophobicContact CZ3-CD2 4.23Å; W345-F348 HydrophobicContact CZ3-CG 4.23Å; W345-F348 VanDerWaalsContact O-CB 3.24Å; W345-F348 WeakPolarHBondContact O-CB 3.31Å; W345-F348 PolarHBondContact O-N 2.92Å; W345-F348 VanDerWaalsContact O-N 3.12Å; T346-F348 VanDerWaalsContact C-N 3.34Å; F348-Y350 VanDerWaalsContact C-N 3.26Å; F348-Y350 PolarHBondContact O-N 3.05Å; F348-R352 HydrophobicContact CD2-CB 3.92Å; F348-R352 HydrophobicContact CD2-CG 3.75Å; F348-R352 HydrophobicContact CE1-CB 4.45Å; F348-R352 HydrophobicContact CE2-CB 3.72Å; F348-R352 HydrophobicContact CE2-CG 3.81Å; F348-R352 HydrophobicContact CG-CB 4.37Å; F348-R352 HydrophobicContact CG-CG 4.48Å; F348-R352 HydrophobicContact CZ-CB 4Å; F348-R352 WeakPolarHBondContact O-CA 3.36Å; F348-R352 WeakPolarHBondContact O-CB 3.03Å; F348-R352 PolarHBondContact O-N 2.87Å; F348-L353 PolarHBondContact O-N 2.8Å; F348-A391 HydrophobicContact CE2-CB 4.04Å; F348-A391 HydrophobicContact CZ-CB 4.24Å; F348-N395 HydrophobicContact CE1-CB 3.99Å; F348-N395 HydrophobicContact CZ-CB 3.94Å
349S93.6Very high95.4Very high3 Ų329.1 Ų29.12%0.02114%0.142CC..Iπ-helixtrans-60.6-37.5-178-51.30000111.9H347 L353 A354 S570 F573H347-S349 PolarHBondContact O-N 3.45Å; S349-L353 WeakPolarHBondContact O-CB 3.37Å; S349-A354 PolarHBondContact O-N 2.89Å; S349-S570 WeakPolarHBondContact OG-CB 3.37Å; S349-S570 PolarHBondContact OG-OG 3.15Å; S349-S570 VanDerWaalsContact OG-OG 3.11Å; S349-F573 VanDerWaalsContact CB-CD1 3.41Å; S349-F573 WeakPolarHBondContact O-CE1 3.35Å
350Y92.6Very high95.3Very high22 Ų2228.4 Ų28.49%0.08614%0.139CC..Iπ-helixtrans-82.9-51.3178.4169.7-102.1000112.7H347 F348 F573 R611 D615H347-Y350 PolarHBondContact O-N 3.35Å; H347-Y350 VanDerWaalsContact O-N 3.11Å; F348-Y350 VanDerWaalsContact C-N 3.26Å; F348-Y350 PolarHBondContact O-N 3.05Å; Y350-F573 VanDerWaalsContact CA-CZ 3.43Å; Y350-F573 AromaticContact CD2-CE2 3.82Å; Y350-F573 HydrophobicContact CD2-CE2 3.82Å; Y350-F573 AromaticContact CD2-CZ 3.99Å; Y350-F573 HydrophobicContact CD2-CZ 3.99Å; Y350-F573 HydrophobicContact CG-CE2 4.18Å; Y350-F573 HydrophobicContact CG-CZ 4.34Å; Y350-R611 HydrophobicContact CD1-CG 3.81Å; Y350-R611 HydrophobicContact CD2-CG 3.91Å; Y350-R611 HydrophobicContact CE1-CG 3.54Å; Y350-R611 HydrophobicContact CE2-CG 3.61Å; Y350-R611 HydrophobicContact CG-CG 4.01Å; Y350-R611 VanDerWaalsContact CZ-CG 3.44Å; Y350-R611 PolarHBondContact OH-NE 2.81Å; Y350-R611 PolarHBondContact OH-NH2 3Å; Y350-D615 HydrophobicContact CE2-CB 4.26Å
351N94.4Very high95.3Very high51 Ų5124.5 Ų24.527%0.27311%0.114SC..Iπ-helixtrans-73.5-35.6-171.8-74.5-30.1000112.7Y332 H347 S355Y332-N351 VanDerWaalsContact OH-CB 3.24Å; Y332-N351 WeakPolarHBondContact OH-CB 3.26Å; Y332-N351 PolarHBondContact OH-ND2 2.86Å; Y332-N351 VanDerWaalsContact OH-ND2 3.15Å; H347-N351 WeakPolarHBondContact O-CB 3.2Å; H347-N351 PolarHBondContact O-N 2.96Å; N351-S355 VanDerWaalsContact O-CB 3.32Å; N351-S355 WeakPolarHBondContact O-CB 3.17Å; N351-S355 PolarHBondContact O-OG 3.44Å
352R96.1Very high95.3Very high44 Ų4420 Ų2017%0.1669%0.094CC..Iπ-helixtrans-104.9-65.1-177-54.5-58.3-175.9178.3-0.2111.5E331 Y332 F348 S355 A356 C388E331-R352 VanDerWaalsContact CD-NH2 3.27Å; E331-R352 IonicContact OE1-CZ 2.92Å; E331-R352 VanDerWaalsContact OE1-CZ 3.31Å; E331-R352 IonicContact OE1-NE 3.32Å; E331-R352 PolarHBondContact OE1-NE 3.24Å; E331-R352 VanDerWaalsContact OE1-NE 3.17Å; E331-R352 IonicContact OE1-NH2 3.94Å; E331-R352 PolarHBondContact OE1-NH2 2.82Å; E331-R352 IonicContact OE2-NH2 2.94Å; E331-R352 PolarHBondContact OE2-NH2 3.4Å; E331-R352 VanDerWaalsContact OE2-NH2 3.12Å; Y332-R352 HydrophobicContact CD2-CG 4.34Å; Y332-R352 HydrophobicContact CE2-CG 3.59Å; F348-R352 HydrophobicContact CD2-CB 3.92Å; F348-R352 HydrophobicContact CD2-CG 3.75Å; F348-R352 HydrophobicContact CE1-CB 4.45Å; F348-R352 HydrophobicContact CE2-CB 3.72Å; F348-R352 HydrophobicContact CE2-CG 3.81Å; F348-R352 HydrophobicContact CG-CB 4.37Å; F348-R352 HydrophobicContact CG-CG 4.48Å; F348-R352 HydrophobicContact CZ-CB 4Å; F348-R352 WeakPolarHBondContact O-CA 3.36Å; F348-R352 WeakPolarHBondContact O-CB 3.03Å; F348-R352 PolarHBondContact O-N 2.87Å; R352-S355 PolarHBondContact O-N 2.96Å; R352-A356 PolarHBondContact O-N 3.06Å; R352-C388 HydrophobicContact CB-CB 4.36Å; R352-C388 VanDerWaalsContact CD-SG 3.52Å; R352-C388 WeakPolarHBondContact O-CB 3.44Å
353L97.3Very high95.1Very high4 Ų422.1 Ų22.12%0.02111%0.108CC..Iπ-helixtrans-59.3-56.4-172.6173.664.9000112.7F348 S349 S355 A356 L357 S392 A542 F545 V574F348-L353 PolarHBondContact O-N 2.8Å; S349-L353 WeakPolarHBondContact O-CB 3.37Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.05Å; L353-A356 PolarHBondContact O-N 3.09Å; L353-L357 HydrophobicContact CD1-CD1 3.77Å; L353-L357 HydrophobicContact CD1-CG 4.08Å; L353-L357 HydrophobicContact CG-CD1 3.88Å; L353-L357 VanDerWaalsContact O-CG 3.32Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 2.97Å; L353-S392 WeakPolarHBondContact CA-OG 3.19Å; L353-A542 HydrophobicContact CD2-CB 4.01Å; L353-F545 HydrophobicContact CD1-CD2 3.61Å; L353-F545 HydrophobicContact CD1-CE2 4.14Å; L353-V574 HydrophobicContact CD2-CG2 3.65Å
354A96.3Very high95.1Very high0 Ų020.1 Ų20.10%010%0.099CC..Iπ-helixtrans-65.3-34.6-177.900000112.9S349 L357 R358 F573S349-A354 PolarHBondContact O-N 2.89Å; A354-L357 PolarHBondContact O-N 2.93Å; A354-R358 WeakPolarHBondContact O-CG 3.42Å; A354-R358 PolarHBondContact O-N 2.66Å; A354-F573 HydrophobicContact CB-CE1 3.99Å; A354-F573 HydrophobicContact CB-CZ 3.73Å
355S96.1Very high95Very high27 Ų2720.5 Ų20.519%0.18910%0.102CC..Hα-helixtrans-61.8-47.4175.4-62.20000111.9N351 R352 L353 R358 L359N351-S355 VanDerWaalsContact O-CB 3.32Å; N351-S355 WeakPolarHBondContact O-CB 3.17Å; N351-S355 PolarHBondContact O-OG 3.44Å; R352-S355 PolarHBondContact O-N 2.96Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.05Å; S355-R358 VanDerWaalsContact CA-NH2 3.3Å; S355-R358 PolarHBondContact O-N 2.83Å; S355-R358 PolarHBondContact OG-NH2 3.43Å; S355-L359 PolarHBondContact O-N 3.02Å
356A97.9Very high94.9Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-65-44.4176.900000112.5R352 L353 R358 L359 D360 C388 K389 F545R352-A356 PolarHBondContact O-N 3.06Å; L353-A356 PolarHBondContact O-N 3.09Å; A356-R358 VanDerWaalsContact C-N 3.26Å; A356-R358 PolarHBondContact O-N 2.99Å; A356-L359 PolarHBondContact O-N 3.39Å; A356-D360 WeakPolarHBondContact O-CB 3.39Å; A356-D360 PolarHBondContact O-N 3.39Å; A356-C388 HydrophobicContact CB-CB 3.76Å; A356-K389 HydrophobicContact CB-CB 3.97Å; A356-F545 HydrophobicContact CB-CE2 3.55Å; A356-F545 HydrophobicContact CB-CZ 3.81Å
357L97.8Very high95Very high4 Ų418.9 Ų18.92%0.02110%0.099CC..Hα-helixtrans-59.7-36.5176.2-68.6169.1000112.1L353 A354 A361 F452 F545L353-L357 HydrophobicContact CD1-CD1 3.77Å; L353-L357 HydrophobicContact CD1-CG 4.08Å; L353-L357 HydrophobicContact CG-CD1 3.88Å; L353-L357 VanDerWaalsContact O-CG 3.32Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 2.97Å; A354-L357 PolarHBondContact O-N 2.93Å; L357-A361 WeakPolarHBondContact O-CB 3.28Å; L357-A361 PolarHBondContact O-N 3.28Å; L357-F452 HydrophobicContact CB-CE1 4.29Å; L357-F452 HydrophobicContact CB-CZ 3.95Å; L357-F452 HydrophobicContact CD2-CD1 4.03Å; L357-F452 HydrophobicContact CD2-CD2 3.58Å; L357-F452 HydrophobicContact CD2-CE1 3.86Å; L357-F452 HydrophobicContact CD2-CE2 3.39Å; L357-F452 HydrophobicContact CD2-CG 3.9Å; L357-F452 HydrophobicContact CD2-CZ 3.52Å; L357-F452 HydrophobicContact CG-CZ 4.34Å; L357-F452 WeakPolarHBondContact O-CE1 3.45Å; L357-F452 WeakPolarHBondContact O-CZ 3.3Å; L357-F545 HydrophobicContact CD2-CD1 4.27Å; L357-F545 HydrophobicContact CD2-CD2 4.02Å; L357-F545 HydrophobicContact CD2-CE1 4.05Å; L357-F545 HydrophobicContact CD2-CE2 3.79Å; L357-F545 HydrophobicContact CD2-CG 4.26Å; L357-F545 HydrophobicContact CD2-CZ 3.79Å; L357-F545 HydrophobicContact CG-CD2 4.33Å; L357-F545 HydrophobicContact CG-CE2 3.88Å; L357-F545 HydrophobicContact CG-CZ 4.18Å
358R95.7Very high95Very high91 Ų9119 Ų1934%0.34310%0.099SC..Hα-helixtrans-66.3-46.8177.6-78.3-175.9-63.9-100.3-0.1112.5A354 S355 A356 D615A354-R358 WeakPolarHBondContact O-CG 3.42Å; A354-R358 PolarHBondContact O-N 2.66Å; S355-R358 VanDerWaalsContact CA-NH2 3.3Å; S355-R358 PolarHBondContact O-N 2.83Å; S355-R358 PolarHBondContact OG-NH2 3.43Å; A356-R358 VanDerWaalsContact C-N 3.26Å; A356-R358 PolarHBondContact O-N 2.99Å; R358-D615 IonicContact NH1-OD2 3.5Å
359L94.8Very high95Very high18 Ų1820.8 Ų20.89%0.09411%0.108CC..Hα-helixtrans-72.8-43.5-178.3-176.862.7000111.7S355 A356 A361 L362 T384 I385 Q861S355-L359 PolarHBondContact O-N 3.02Å; A356-L359 PolarHBondContact O-N 3.39Å; L359-A361 PolarHBondContact O-N 3.32Å; L359-L362 HydrophobicContact CD1-CD1 4.03Å; L359-L362 WeakPolarHBondContact O-CB 3.39Å; L359-L362 WeakPolarHBondContact O-CG 3.25Å; L359-L362 PolarHBondContact O-N 2.77Å; L359-L362 VanDerWaalsContact O-N 3.09Å; L359-T384 HydrophobicContact CB-CG2 4.36Å; L359-T384 HydrophobicContact CD2-CG2 4.3Å; L359-I385 HydrophobicContact CB-CD1 4.31Å; L359-I385 HydrophobicContact CD2-CD1 3.96Å; L359-I385 HydrophobicContact CD2-CG1 3.9Å; L359-I385 HydrophobicContact CG-CD1 4.11Å; L359-I385 HydrophobicContact CG-CG1 4.46Å; L359-Q861 HydrophobicContact CD1-CG 4.47Å
360D96.4Very high94.8Very high2 Ų221.4 Ų21.41%0.01111%0.112CC..Hα-helixtrans-73.4-8-176.3-159.734.4000113A356 L362 S365 I385 K389 G451 F452 F545A356-D360 WeakPolarHBondContact O-CB 3.39Å; A356-D360 PolarHBondContact O-N 3.39Å; D360-L362 PolarHBondContact O-N 3.27Å; D360-S365 PolarHBondContact OD1-OG 3.15Å; D360-I385 HydrophobicContact CB-CD1 3.84Å; D360-K389 IonicContact OD1-NZ 2.62Å; D360-K389 PolarHBondContact OD1-NZ 3.44Å; D360-K389 WeakPolarHBondContact OD2-CD 3.22Å; D360-K389 WeakPolarHBondContact OD2-CE 3.23Å; D360-K389 IonicContact OD2-NZ 3.67Å; D360-K389 PolarHBondContact OD2-NZ 3.12Å; D360-G451 VanDerWaalsContact CG-CA 3.42Å; D360-G451 WeakPolarHBondContact O-CA 3.42Å; D360-G451 WeakPolarHBondContact OD1-CA 3.18Å; D360-G451 PolarHBondContact OD1-N 3.35Å; D360-G451 VanDerWaalsContact OD2-C 3.25Å; D360-G451 VanDerWaalsContact OD2-CA 3.24Å; D360-G451 WeakPolarHBondContact OD2-CA 3.17Å; D360-G451 PolarHBondContact OD2-N 3.38Å; D360-F452 HydrophobicContact CB-CD1 3.95Å; D360-F452 HydrophobicContact CB-CE1 4.05Å; D360-F545 HydrophobicContact CB-CZ 4.47Å
361A95.4Very high94.5Very high3 Ų328.5 Ų28.53%0.02515%0.146CC..THydrogen-bonded Turntrans-75.7-10.6169.800000113.7L357 L359 F452 Y476 L478L357-A361 WeakPolarHBondContact O-CB 3.28Å; L357-A361 PolarHBondContact O-N 3.28Å; L359-A361 PolarHBondContact O-N 3.32Å; A361-F452 HydrophobicContact CB-CE1 4.21Å; A361-F452 HydrophobicContact CB-CZ 4.29Å; A361-Y476 HydrophobicContact CB-CD1 3.78Å; A361-Y476 HydrophobicContact CB-CE1 3.54Å; A361-L478 HydrophobicContact CB-CD1 3.98Å; A361-L478 HydrophobicContact CB-CG 4.02Å
362L93.8Very high94Very high11 Ų1126.5 Ų26.56%0.05814%0.135CC..SBendtrans-82.9143.5175-58.9-175.3000111L359 D360 S364 S365 L478 Q861 E864 I868L359-L362 HydrophobicContact CD1-CD1 4.03Å; L359-L362 WeakPolarHBondContact O-CB 3.39Å; L359-L362 WeakPolarHBondContact O-CG 3.25Å; L359-L362 PolarHBondContact O-N 2.77Å; L359-L362 VanDerWaalsContact O-N 3.09Å; D360-L362 PolarHBondContact O-N 3.27Å; L362-S364 PolarHBondContact O-N 2.88Å; L362-S365 WeakPolarHBondContact O-CB 3.46Å; L362-S365 PolarHBondContact O-N 3.11Å; L362-L478 HydrophobicContact CD2-CD1 4.06Å; L362-Q861 HydrophobicContact CD1-CB 4.06Å; L362-Q861 HydrophobicContact CD1-CG 4.24Å; L362-E864 HydrophobicContact CD2-CG 4.22Å; L362-I868 HydrophobicContact CD2-CD1 3.42Å; L362-I868 VanDerWaalsContact CD2-CD1 3.42Å
363S91.5Very high93.1Very high45 Ų4527.7 Ų27.732%0.31515%0.15SC..THydrogen-bonded Turntrans-68.4-24.1173.1-46.90000112.6S365 E864S363-S365 VanDerWaalsContact C-N 3.33Å; S363-E864 WeakPolarHBondContact CB-OE1 3.28Å; S363-E864 PolarHBondContact N-OE1 3.18Å; S363-E864 PolarHBondContact N-OE2 2.99Å; S363-E864 PolarHBondContact OG-OE1 3.32Å
364S92.1Very high92.2Very high22 Ų2229.4 Ų29.415%0.15416%0.159CC..THydrogen-bonded Turntrans-87.87.8175.553.20000113.9L362 Q861 E864L362-S364 PolarHBondContact O-N 2.88Å; S364-Q861 PolarHBondContact O-NE2 3.11Å; S364-Q861 VanDerWaalsContact OG-CA 3.3Å; S364-Q861 WeakPolarHBondContact OG-CA 3.38Å; S364-Q861 WeakPolarHBondContact OG-CG 3.31Å; S364-E864 VanDerWaalsContact CB-OE2 3.27Å; S364-E864 WeakPolarHBondContact CB-OE2 3.46Å; S364-E864 PolarHBondContact N-OE2 3.42Å; S364-E864 PolarHBondContact OG-OE2 3.41Å
365S93.7Very high91.1Very high9 Ų929.8 Ų29.86%0.06316%0.162CC..  trans-69.3-177166.3-168.70000111.2D360 L362 S363 I385 I450D360-S365 PolarHBondContact OD1-OG 3.15Å; L362-S365 WeakPolarHBondContact O-CB 3.46Å; L362-S365 PolarHBondContact O-N 3.11Å; S363-S365 VanDerWaalsContact C-N 3.33Å; S365-I385 WeakPolarHBondContact OG-CD1 3.2Å; S365-I450 WeakPolarHBondContact O-CD1 3.19Å
366H93Very high90.1Very high9 Ų933.9 Ų33.94%0.04218%0.182CC..  trans-137.9159.6179.563.886.4000111.8V370 D383H366-V370 HydrophobicContact CB-CG2 4.2Å; H366-V370 WeakPolarHBondContact ND1-CG2 3.49Å; H366-D383 IonicContact CD2-OD2 2.84Å; H366-D383 IonicContact CE1-OD1 3.32Å; H366-D383 PolarHBondContact CE1-OD1 2.76Å; H366-D383 IonicContact NE2-OD1 2.77Å; H366-D383 PolarHBondContact NE2-OD1 3.32Å; H366-D383 IonicContact NE2-OD2 3.25Å; H366-D383 PolarHBondContact NE2-OD2 3.05Å
367P95.4Very high89.2Confident29 Ų2936.9 Ų36.919%0.18820%0.196CC..  trans-63.3163.4171.1-14.229.2000110.4E369 V370 T447 I450P367-E369 VanDerWaalsContact C-N 3.34Å; P367-V370 WeakPolarHBondContact O-CG2 3.38Å; P367-T447 VanDerWaalsContact CB-O 3.31Å; P367-T447 WeakPolarHBondContact CB-O 3.41Å; P367-I450 HydrophobicContact CG-CG1 3.81Å
368I95.4Very high88.5Confident2 Ų236.7 Ų36.71%0.0120%0.195CC..SBendtrans-66.2-43.1174.2-66.5-178.4000110.3W321 V370 I385 K389 L393 T447W321-I368 HydrophobicContact CB-CG2 3.33Å; W321-I368 HydrophobicContact CD2-CG2 3.53Å; W321-I368 HydrophobicContact CE3-CG2 4.2Å; W321-I368 HydrophobicContact CG-CG2 3.08Å; I368-V370 PolarHBondContact O-N 3.09Å; I368-I385 HydrophobicContact CG1-CG2 4.02Å; I368-K389 HydrophobicContact CD1-CB 4.27Å; I368-K389 HydrophobicContact CD1-CD 3.9Å; I368-K389 HydrophobicContact CD1-CG 3.81Å; I368-K389 HydrophobicContact CG1-CB 4.38Å; I368-K389 HydrophobicContact CG1-CD 3.69Å; I368-K389 HydrophobicContact CG1-CG 4.08Å; I368-L393 HydrophobicContact CD1-CD1 3.23Å; I368-L393 HydrophobicContact CD1-CG 4Å; I368-T447 HydrophobicContact CD1-CG2 4.44Å; I368-T447 PolarHBondContact N-O 3.48Å
369E96Very high87.8Confident40 Ų4034.7 Ų34.719%0.18719%0.191CC..SBendtrans-83105172.5-69.3172.6-97.700108.7T318 P367 T447 L448T318-E369 HydrophobicContact CG2-CB 4.39Å; T318-E369 WeakPolarHBondContact O-CA 3.45Å; P367-E369 VanDerWaalsContact C-N 3.34Å; E369-T447 PolarHBondContact N-O 2.92Å; E369-T447 VanDerWaalsContact N-O 3.13Å; E369-T447 WeakPolarHBondContact OE1-CB 3.2Å; E369-T447 PolarHBondContact OE1-OG1 3.13Å; E369-L448 HydrophobicContact CB-CD2 4.16Å; E369-L448 WeakPolarHBondContact OE1-CD2 3.24Å
370V89.7Confident87.3Confident16 Ų1635.1 Ų35.110%0.09719%0.192CC..  trans-106.3123.1-179.7-174.60000109.5T318 H366 P367 I368 V372 I381T318-V370 WeakPolarHBondContact CA-O 3.22Å; T318-V370 VanDerWaalsContact CB-O 3.23Å; T318-V370 WeakPolarHBondContact CB-O 3.35Å; T318-V370 WeakPolarHBondContact CG2-O 3.43Å; T318-V370 PolarHBondContact O-N 3.24Å; T318-V370 PolarHBondContact OG1-O 2.89Å; H366-V370 HydrophobicContact CB-CG2 4.2Å; H366-V370 WeakPolarHBondContact ND1-CG2 3.49Å; P367-V370 WeakPolarHBondContact O-CG2 3.38Å; I368-V370 PolarHBondContact O-N 3.09Å; V370-V372 PolarHBondContact O-N 3.05Å; V370-I381 HydrophobicContact CB-CG2 3.85Å; V370-I381 HydrophobicContact CG1-CG2 3.79Å; V370-I381 HydrophobicContact CG2-CG2 3.82Å
371E87.1Confident86.8Confident172 Ų17235.1 Ų35.180%0.80419%0.192SC*.  trans-64.4113170.8-168.8174.1-178.400109.2
372V83.2Confident86.2Confident9 Ų936.8 Ų36.86%0.05520%0.199CC..  trans-98.3111.3179.9174.70000108W316 W317 T318 V370 I378 I381W316-V372 HydrophobicContact CZ2-CG1 4.26Å; W316-V372 PolarHBondContact NE1-O 2.99Å; W316-V372 VanDerWaalsContact NE1-O 3.07Å; W317-V372 HydrophobicContact CB-CB 4.38Å; W317-V372 HydrophobicContact CB-CG1 4.43Å; W317-V372 HydrophobicContact CB-CG2 4.04Å; T318-V372 PolarHBondContact OG1-N 3.27Å; V370-V372 PolarHBondContact O-N 3.05Å; V372-I378 HydrophobicContact CG1-CD1 4.37Å; V372-I378 HydrophobicContact CG1-CG1 3.5Å; V372-I378 VanDerWaalsContact CG1-CG1 3.5Å; V372-I381 HydrophobicContact CG2-CD1 3.6Å
373S77.1Confident86Confident68 Ų6837.6 Ų37.648%0.47620%0.204SC..  trans-98.3-22.7-178.377.50000112.8F6 E377F6-S373 VanDerWaalsContact CB-O 3.29Å; F6-S373 WeakPolarHBondContact CB-O 3.2Å; F6-S373 WeakPolarHBondContact CD1-O 3.47Å; F6-S373 WeakPolarHBondContact CG-O 3.45Å; S373-E377 PolarHBondContact N-OE2 3.14Å; S373-E377 PolarHBondContact OG-OE1 3.13Å; S373-E377 VanDerWaalsContact OG-OE1 3.05Å; S373-E377 PolarHBondContact OG-OE2 3.17Å
374N78Confident86.1Confident41 Ų4137.9 Ų37.922%0.21920%0.203CC..SBendtrans-139.4142.5179.5-172.7-62.4000111F6 N376 E377F6-N374 HydrophobicContact CB-CB 4.31Å; N374-N376 PolarHBondContact O-N 3.48Å; N374-N376 VanDerWaalsContact O-N 3.1Å; N374-N376 WeakPolarHBondContact OD1-CB 2.92Å; N374-N376 PolarHBondContact OD1-N 2.86Å; N374-N376 PolarHBondContact OD1-ND2 3.45Å; N374-E377 HydrophobicContact CB-CG 4.25Å; N374-E377 PolarHBondContact N-OE2 3.09Å; N374-E377 WeakPolarHBondContact O-CB 3.49Å; N374-E377 PolarHBondContact O-N 2.92Å
375P74.1Confident86.3Confident8 Ų836.8 Ų36.85%0.05220%0.196CC..Hα-helixtrans-50.7-33.6175.5-31.436.2000115.5F6 T130 E377 I378F6-P375 HydrophobicContact CD2-CG 3.72Å; F6-P375 HydrophobicContact CE2-CG 3.37Å; F6-P375 HydrophobicContact CG-CG 4.48Å; F6-P375 HydrophobicContact CZ-CG 3.85Å; T130-P375 HydrophobicContact CG2-CB 4.04Å; T130-P375 HydrophobicContact CG2-CG 4.46Å; P375-E377 PolarHBondContact O-N 2.88Å; P375-I378 HydrophobicContact CB-CD1 4.22Å; P375-I378 VanDerWaalsContact O-CB 3.25Å; P375-I378 WeakPolarHBondContact O-CB 3.34Å; P375-I378 WeakPolarHBondContact O-CG1 3.31Å; P375-I378 PolarHBondContact O-N 3.18Å; P375-I378 VanDerWaalsContact O-N 3.12Å
376N74Confident86.3Confident113 Ų11336.4 Ų36.460%0.60419%0.193SC*.Hα-helixtrans-65.9-23.4178.4-66.6-34.8000113.1N374 I378N374-N376 PolarHBondContact O-N 3.48Å; N374-N376 VanDerWaalsContact O-N 3.1Å; N374-N376 WeakPolarHBondContact OD1-CB 2.92Å; N374-N376 PolarHBondContact OD1-N 2.86Å; N374-N376 PolarHBondContact OD1-ND2 3.45Å; N376-I378 VanDerWaalsContact C-N 3.31Å
377E79.5Confident86.5Confident63 Ų6338.6 Ų38.629%0.29420%0.201SC..Hα-helixtrans-78-21.1177.2-61.7169.5175.200111.8S373 N374 P375 N379 E380 I381S373-E377 PolarHBondContact N-OE2 3.14Å; S373-E377 PolarHBondContact OG-OE1 3.13Å; S373-E377 VanDerWaalsContact OG-OE1 3.05Å; S373-E377 PolarHBondContact OG-OE2 3.17Å; N374-E377 HydrophobicContact CB-CG 4.25Å; N374-E377 PolarHBondContact N-OE2 3.09Å; N374-E377 WeakPolarHBondContact O-CB 3.49Å; N374-E377 PolarHBondContact O-N 2.92Å; P375-E377 PolarHBondContact O-N 2.88Å; E377-N379 VanDerWaalsContact C-N 3.34Å; E377-N379 PolarHBondContact O-N 3.01Å; E377-E380 WeakPolarHBondContact O-CB 3.4Å; E377-E380 PolarHBondContact O-N 2.85Å; E377-E380 VanDerWaalsContact O-N 3.12Å; E377-I381 PolarHBondContact O-N 3.13Å
378I83Confident86.7Confident0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-60.2-47.5-178.2-61.8167.6000109.8A129 T130 W317 V372 P375 N376 E380 I381 F382A129-I378 HydrophobicContact CB-CB 4.12Å; A129-I378 HydrophobicContact CB-CD1 3.89Å; A129-I378 HydrophobicContact CB-CG2 3.42Å; A129-I378 VanDerWaalsContact CB-CG2 3.42Å; T130-I378 HydrophobicContact CG2-CD1 3.99Å; W317-I378 HydrophobicContact CB-CD1 4.42Å; W317-I378 HydrophobicContact CB-CG1 4.08Å; W317-I378 HydrophobicContact CB-CG2 4.36Å; W317-I378 HydrophobicContact CD2-CD1 4.16Å; W317-I378 HydrophobicContact CD2-CG2 4.04Å; W317-I378 HydrophobicContact CE3-CG2 4.14Å; W317-I378 HydrophobicContact CG-CD1 3.72Å; W317-I378 HydrophobicContact CG-CG1 3.9Å; W317-I378 HydrophobicContact CG-CG2 4.12Å; V372-I378 HydrophobicContact CG1-CD1 4.37Å; V372-I378 HydrophobicContact CG1-CG1 3.5Å; V372-I378 VanDerWaalsContact CG1-CG1 3.5Å; P375-I378 HydrophobicContact CB-CD1 4.22Å; P375-I378 VanDerWaalsContact O-CB 3.25Å; P375-I378 WeakPolarHBondContact O-CB 3.34Å; P375-I378 WeakPolarHBondContact O-CG1 3.31Å; P375-I378 PolarHBondContact O-N 3.18Å; P375-I378 VanDerWaalsContact O-N 3.12Å; N376-I378 VanDerWaalsContact C-N 3.31Å; I378-E380 PolarHBondContact O-N 3.33Å; I378-E380 VanDerWaalsContact O-N 3.12Å; I378-I381 WeakPolarHBondContact O-CG1 3.36Å; I378-I381 PolarHBondContact O-N 3.46Å; I378-F382 HydrophobicContact CG2-CD2 3.86Å; I378-F382 HydrophobicContact CG2-CE2 3.42Å; I378-F382 VanDerWaalsContact CG2-CE2 3.42Å; I378-F382 VanDerWaalsContact O-CD2 3.32Å; I378-F382 WeakPolarHBondContact O-CD2 3.14Å; I378-F382 PolarHBondContact O-N 2.88Å
379N82Confident86.8Confident48 Ų4837.5 Ų37.526%0.25719%0.194SC..Hα-helixtrans-64.2-20.4-179.3-68.8-16.4000113.1E377 G820E377-N379 VanDerWaalsContact C-N 3.34Å; E377-N379 PolarHBondContact O-N 3.01Å; N379-G820 PolarHBondContact ND2-O 3.45Å
380E82.7Confident86.9Confident27 Ų2735.6 Ų35.613%0.12619%0.185CC..Hα-helixtrans-80.1-17173.7-62.9-167.3167.900113.5E377 I378 C854 C855 T856 R857E377-E380 WeakPolarHBondContact O-CB 3.4Å; E377-E380 PolarHBondContact O-N 2.85Å; E377-E380 VanDerWaalsContact O-N 3.12Å; I378-E380 PolarHBondContact O-N 3.33Å; I378-E380 VanDerWaalsContact O-N 3.12Å; E380-C854 VanDerWaalsContact OE1-O 3.14Å; E380-C855 VanDerWaalsContact OE1-C 3.26Å; E380-C855 WeakPolarHBondContact OE1-CA 3.33Å; E380-T856 PolarHBondContact OE1-N 2.97Å; E380-R857 VanDerWaalsContact C-NH1 3.25Å; E380-R857 VanDerWaalsContact CB-NH1 3.29Å; E380-R857 PolarHBondContact O-NH1 3.41Å; E380-R857 WeakPolarHBondContact OE2-CB 3.45Å; E380-R857 IonicContact OE2-CZ 3.21Å; E380-R857 IonicContact OE2-NE 2.7Å; E380-R857 IonicContact OE2-NH1 2.72Å; E380-R857 IonicContact OE2-NH2 3.71Å; E380-R857 PolarHBondContact OE2-NH2 3.43Å
381I86.2Confident87.3Confident2 Ų234.8 Ų34.81%0.0118%0.181CC..Hα-helixtrans-98.3-6.7176.264.4160.4000112.8W317 L320 V370 V372 E377 I378 D383 S386W317-I381 HydrophobicContact CB-CD1 4.48Å; W317-I381 VanDerWaalsContact O-CD1 3.22Å; W317-I381 WeakPolarHBondContact O-CD1 3.5Å; L320-I381 HydrophobicContact CB-CD1 4.13Å; L320-I381 HydrophobicContact CD2-CD1 3.92Å; L320-I381 HydrophobicContact CD2-CG1 3.88Å; V370-I381 HydrophobicContact CB-CG2 3.85Å; V370-I381 HydrophobicContact CG1-CG2 3.79Å; V370-I381 HydrophobicContact CG2-CG2 3.82Å; V372-I381 HydrophobicContact CG2-CD1 3.6Å; E377-I381 PolarHBondContact O-N 3.13Å; I378-I381 WeakPolarHBondContact O-CG1 3.36Å; I378-I381 PolarHBondContact O-N 3.46Å; I381-D383 PolarHBondContact O-N 3.38Å; I381-S386 WeakPolarHBondContact O-CB 3Å; I381-S386 PolarHBondContact O-OG 2.91Å
382F83.1Confident87.9Confident38 Ų3826.7 Ų26.717%0.16714%0.143CC..SBendtrans-73.662.2163.3-81.6-84.8000110.2E128 A129 W317 L320 E324 I378 Y387E128-F382 VanDerWaalsContact CD-CZ 3.41Å; E128-F382 HydrophobicContact CG-CE1 4.38Å; E128-F382 HydrophobicContact CG-CE2 4.4Å; E128-F382 HydrophobicContact CG-CZ 3.71Å; E128-F382 WeakPolarHBondContact OE1-CZ 3.48Å; A129-F382 HydrophobicContact CB-CE2 4.28Å; W317-F382 HydrophobicContact CE3-CE2 4.43Å; W317-F382 HydrophobicContact CE3-CZ 4.37Å; W317-F382 HydrophobicContact CZ3-CE2 4.38Å; W317-F382 AromaticContact CZ3-CZ 3.99Å; W317-F382 HydrophobicContact CZ3-CZ 3.99Å; L320-F382 HydrophobicContact CD1-CD1 4.43Å; L320-F382 HydrophobicContact CD1-CE1 3.65Å; L320-F382 HydrophobicContact CD1-CE2 4.25Å; L320-F382 HydrophobicContact CD1-CZ 3.53Å; L320-F382 HydrophobicContact CD2-CD1 3.89Å; L320-F382 HydrophobicContact CD2-CD2 3.81Å; L320-F382 HydrophobicContact CD2-CE1 3.88Å; L320-F382 HydrophobicContact CD2-CE2 3.78Å; L320-F382 HydrophobicContact CD2-CG 3.86Å; L320-F382 HydrophobicContact CD2-CZ 3.8Å; L320-F382 HydrophobicContact CG-CE1 4.36Å; L320-F382 HydrophobicContact CG-CZ 4.33Å; E324-F382 HydrophobicContact CG-CE1 4.31Å; E324-F382 WeakPolarHBondContact OE1-CE1 3.42Å; I378-F382 HydrophobicContact CG2-CD2 3.86Å; I378-F382 HydrophobicContact CG2-CE2 3.42Å; I378-F382 VanDerWaalsContact CG2-CE2 3.42Å; I378-F382 VanDerWaalsContact O-CD2 3.32Å; I378-F382 WeakPolarHBondContact O-CD2 3.14Å; I378-F382 PolarHBondContact O-N 2.88Å; F382-Y387 HydrophobicContact CD1-CE2 4.1Å
383D89Confident88.6Confident29 Ų2926.3 Ų26.316%0.15514%0.141CC..SBendtrans-131.8-176.9-166.190.1-33.8000112.7H366 I381 I385 S386 Y387H366-D383 IonicContact CD2-OD2 2.84Å; H366-D383 IonicContact CE1-OD1 3.32Å; H366-D383 PolarHBondContact CE1-OD1 2.76Å; H366-D383 IonicContact NE2-OD1 2.77Å; H366-D383 PolarHBondContact NE2-OD1 3.32Å; H366-D383 IonicContact NE2-OD2 3.25Å; H366-D383 PolarHBondContact NE2-OD2 3.05Å; I381-D383 PolarHBondContact O-N 3.38Å; D383-I385 PolarHBondContact O-N 3.1Å; D383-I385 VanDerWaalsContact O-N 3.13Å; D383-I385 WeakPolarHBondContact OD1-CA 3.16Å; D383-I385 WeakPolarHBondContact OD1-CB 3.08Å; D383-I385 PolarHBondContact OD1-N 3.38Å; D383-I385 PolarHBondContact OD2-N 2.9Å; D383-S386 PolarHBondContact O-N 3.02Å; D383-S386 PolarHBondContact OD1-N 2.84Å; D383-S386 VanDerWaalsContact OD1-N 3.17Å; D383-Y387 VanDerWaalsContact O-CD2 3.25Å; D383-Y387 WeakPolarHBondContact O-CD2 3.25Å; D383-Y387 PolarHBondContact O-N 3.23Å
384T93.3Very high89.5Confident50 Ų5023.3 Ų23.331%0.30712%0.119SC..Hα-helixtrans-60.7-24.8-179.5-64.80000112.7L359 C388 K389L359-T384 HydrophobicContact CB-CG2 4.36Å; L359-T384 HydrophobicContact CD2-CG2 4.3Å; T384-C388 HydrophobicContact CG2-CB 3.92Å; T384-C388 WeakPolarHBondContact O-CA 3.17Å; T384-C388 WeakPolarHBondContact O-CB 3.4Å; T384-C388 PolarHBondContact O-N 2.93Å; T384-K389 PolarHBondContact O-N 3.23Å
385I96.3Very high90.5Very high0 Ų021.6 Ų21.60%011%0.11CC..Iπ-helixtrans-71.5-54.7177.8-58.8-53.9000110.6L359 D360 S365 I368 D383 Y387 K389 G390L359-I385 HydrophobicContact CB-CD1 4.31Å; L359-I385 HydrophobicContact CD2-CD1 3.96Å; L359-I385 HydrophobicContact CD2-CG1 3.9Å; L359-I385 HydrophobicContact CG-CD1 4.11Å; L359-I385 HydrophobicContact CG-CG1 4.46Å; D360-I385 HydrophobicContact CB-CD1 3.84Å; S365-I385 WeakPolarHBondContact OG-CD1 3.2Å; I368-I385 HydrophobicContact CG1-CG2 4.02Å; D383-I385 PolarHBondContact O-N 3.1Å; D383-I385 VanDerWaalsContact O-N 3.13Å; D383-I385 WeakPolarHBondContact OD1-CA 3.16Å; D383-I385 WeakPolarHBondContact OD1-CB 3.08Å; D383-I385 PolarHBondContact OD1-N 3.38Å; D383-I385 PolarHBondContact OD2-N 2.9Å; I385-Y387 VanDerWaalsContact C-N 3.33Å; I385-Y387 PolarHBondContact O-N 2.86Å; I385-K389 HydrophobicContact CG2-CB 4.16Å; I385-K389 HydrophobicContact CG2-CD 4Å; I385-K389 WeakPolarHBondContact O-CA 3.48Å; I385-K389 WeakPolarHBondContact O-CB 3.25Å; I385-K389 PolarHBondContact O-N 3.46Å; I385-G390 PolarHBondContact O-N 3.27Å; I385-G390 VanDerWaalsContact O-N 3.09Å
386S95.1Very high91.6Very high1 Ų121.4 Ų21.41%0.00711%0.108CC..Iπ-helixtrans-60-42.9-178-64.60000112.4G325 I381 D383G325-S386 PolarHBondContact N-O 2.91Å; I381-S386 WeakPolarHBondContact O-CB 3Å; I381-S386 PolarHBondContact O-OG 2.91Å; D383-S386 PolarHBondContact O-N 3.02Å; D383-S386 PolarHBondContact OD1-N 2.84Å; D383-S386 VanDerWaalsContact OD1-N 3.17Å
387Y97Very high92.6Very high55 Ų5516.1 Ų16.122%0.2168%0.08CC..Iπ-helixtrans-76.1-64.6178.3-74.4-97.2000111.9H301 E324 A328 F382 D383 I385 A391H301-Y387 AromaticContact CE1-CE1 3.89Å; H301-Y387 AromaticContact NE2-CE1 3.79Å; E324-Y387 HydrophobicContact CB-CD1 4.02Å; E324-Y387 HydrophobicContact CB-CD2 4.2Å; E324-Y387 HydrophobicContact CB-CE1 3.96Å; E324-Y387 HydrophobicContact CB-CE2 4.17Å; E324-Y387 HydrophobicContact CB-CG 4.14Å; E324-Y387 HydrophobicContact CG-CD2 4.5Å; E324-Y387 HydrophobicContact CG-CE1 4.1Å; E324-Y387 HydrophobicContact CG-CE2 4Å; E324-Y387 PolarHBondContact OE1-OH 2.91Å; E324-Y387 WeakPolarHBondContact OE2-CE1 3.43Å; E324-Y387 PolarHBondContact OE2-OH 2.95Å; A328-Y387 HydrophobicContact CB-CD1 4.3Å; F382-Y387 HydrophobicContact CD1-CE2 4.1Å; D383-Y387 VanDerWaalsContact O-CD2 3.25Å; D383-Y387 WeakPolarHBondContact O-CD2 3.25Å; D383-Y387 PolarHBondContact O-N 3.23Å; I385-Y387 VanDerWaalsContact C-N 3.33Å; I385-Y387 PolarHBondContact O-N 2.86Å; Y387-A391 WeakPolarHBondContact O-CB 3.18Å; Y387-A391 PolarHBondContact O-N 3.36Å
388C98.3Very high93.4Very high7 Ų714.6 Ų14.65%0.0477%0.073CC..Iπ-helixtrans-85.1-38.6-164-59.50000112.6R352 A356 T384 S392R352-C388 HydrophobicContact CB-CB 4.36Å; R352-C388 VanDerWaalsContact CD-SG 3.52Å; R352-C388 WeakPolarHBondContact O-CB 3.44Å; A356-C388 HydrophobicContact CB-CB 3.76Å; T384-C388 HydrophobicContact CG2-CB 3.92Å; T384-C388 WeakPolarHBondContact O-CA 3.17Å; T384-C388 WeakPolarHBondContact O-CB 3.4Å; T384-C388 PolarHBondContact O-N 2.93Å; C388-S392 VanDerWaalsContact O-CB 3.31Å; C388-S392 WeakPolarHBondContact O-CB 3.44Å; C388-S392 PolarHBondContact O-N 3.23Å; C388-S392 PolarHBondContact O-OG 2.91Å
389K98.4Very high93.9Very high0 Ų015.7 Ų15.70%09%0.085CC..Iπ-helixtrans-69.3-45.2174.3-169.9-176.2171.4167.40109.3A356 D360 I368 T384 I385 A391 S392 L393 N449 G451 F545A356-K389 HydrophobicContact CB-CB 3.97Å; D360-K389 IonicContact OD1-NZ 2.62Å; D360-K389 PolarHBondContact OD1-NZ 3.44Å; D360-K389 WeakPolarHBondContact OD2-CD 3.22Å; D360-K389 WeakPolarHBondContact OD2-CE 3.23Å; D360-K389 IonicContact OD2-NZ 3.67Å; D360-K389 PolarHBondContact OD2-NZ 3.12Å; I368-K389 HydrophobicContact CD1-CB 4.27Å; I368-K389 HydrophobicContact CD1-CD 3.9Å; I368-K389 HydrophobicContact CD1-CG 3.81Å; I368-K389 HydrophobicContact CG1-CB 4.38Å; I368-K389 HydrophobicContact CG1-CD 3.69Å; I368-K389 HydrophobicContact CG1-CG 4.08Å; T384-K389 PolarHBondContact O-N 3.23Å; I385-K389 HydrophobicContact CG2-CB 4.16Å; I385-K389 HydrophobicContact CG2-CD 4Å; I385-K389 WeakPolarHBondContact O-CA 3.48Å; I385-K389 WeakPolarHBondContact O-CB 3.25Å; I385-K389 PolarHBondContact O-N 3.46Å; K389-A391 PolarHBondContact O-N 2.94Å; K389-S392 PolarHBondContact O-N 3.12Å; K389-S392 VanDerWaalsContact O-N 3.14Å; K389-L393 HydrophobicContact CG-CG 4.47Å; K389-L393 WeakPolarHBondContact O-CG 3.32Å; K389-L393 PolarHBondContact O-N 3.09Å; K389-N449 PolarHBondContact NZ-O 3.12Å; K389-G451 PolarHBondContact NZ-O 3.48Å; K389-F545 HydrophobicContact CB-CZ 4.26Å; K389-F545 HydrophobicContact CD-CE1 4.05Å; K389-F545 HydrophobicContact CD-CZ 4.22Å; K389-F545 HydrophobicContact CG-CD1 4.37Å; K389-F545 HydrophobicContact CG-CE1 3.74Å; K389-F545 HydrophobicContact CG-CE2 4.15Å; K389-F545 HydrophobicContact CG-CZ 3.62Å
390G98Very high94.5Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-48.7-57.4171.400000112I385 S392 L393 I394I385-G390 PolarHBondContact O-N 3.27Å; I385-G390 VanDerWaalsContact O-N 3.09Å; G390-S392 VanDerWaalsContact C-N 3.31Å; G390-S392 PolarHBondContact O-N 2.79Å; G390-L393 PolarHBondContact O-N 3.35Å; G390-I394 WeakPolarHBondContact O-CD1 3.5Å; G390-I394 VanDerWaalsContact O-CG1 3.25Å; G390-I394 WeakPolarHBondContact O-CG1 3.13Å; G390-I394 PolarHBondContact O-N 3.44Å
391A98.5Very high95Very high0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-59.1-38.7178.400000113.7G325 A328 W329 F348 Y387 K389 I394 N395G325-A391 WeakPolarHBondContact O-CA 3.42Å; G325-A391 WeakPolarHBondContact O-CB 2.88Å; A328-A391 HydrophobicContact CB-CB 3.91Å; W329-A391 HydrophobicContact CB-CB 3.85Å; F348-A391 HydrophobicContact CE2-CB 4.04Å; F348-A391 HydrophobicContact CZ-CB 4.24Å; Y387-A391 WeakPolarHBondContact O-CB 3.18Å; Y387-A391 PolarHBondContact O-N 3.36Å; K389-A391 PolarHBondContact O-N 2.94Å; A391-I394 PolarHBondContact O-N 3.26Å; A391-N395 PolarHBondContact O-N 3.06Å
392S98.3Very high95.3Very high2 Ų215.8 Ų15.81%0.0149%0.09CC..Hα-helixtrans-70.9-36.6-179.3-57.60000112.7L353 C388 K389 G390 N395 M396 F545L353-S392 WeakPolarHBondContact CA-OG 3.19Å; C388-S392 VanDerWaalsContact O-CB 3.31Å; C388-S392 WeakPolarHBondContact O-CB 3.44Å; C388-S392 PolarHBondContact O-N 3.23Å; C388-S392 PolarHBondContact O-OG 2.91Å; K389-S392 PolarHBondContact O-N 3.12Å; K389-S392 VanDerWaalsContact O-N 3.14Å; G390-S392 VanDerWaalsContact C-N 3.31Å; G390-S392 PolarHBondContact O-N 2.79Å; S392-N395 PolarHBondContact O-N 3.48Å; S392-M396 WeakPolarHBondContact O-CB 3.38Å; S392-M396 PolarHBondContact O-N 3.17Å; S392-F545 VanDerWaalsContact CB-CD2 3.43Å
393L97.9Very high95.8Very high1 Ų115.5 Ų15.51%0.00510%0.098CC..Hα-helixtrans-67.3-38.6173.2-67.4-166.6000111.9I368 K389 G390 N395 M396 L397 M443 W446 T447 F545I368-L393 HydrophobicContact CD1-CD1 3.23Å; I368-L393 HydrophobicContact CD1-CG 4Å; K389-L393 HydrophobicContact CG-CG 4.47Å; K389-L393 WeakPolarHBondContact O-CG 3.32Å; K389-L393 PolarHBondContact O-N 3.09Å; G390-L393 PolarHBondContact O-N 3.35Å; L393-N395 VanDerWaalsContact C-N 3.32Å; L393-M396 HydrophobicContact CD2-CE 3.76Å; L393-M396 WeakPolarHBondContact O-CB 3.31Å; L393-M396 PolarHBondContact O-N 3.14Å; L393-L397 PolarHBondContact O-N 3.31Å; L393-M443 HydrophobicContact CB-CE 4.03Å; L393-M443 HydrophobicContact CD1-CE 4.35Å; L393-W446 HydrophobicContact CD1-CB 3.6Å; L393-W446 HydrophobicContact CD2-CB 4.04Å; L393-W446 HydrophobicContact CD2-CD2 4.1Å; L393-W446 HydrophobicContact CD2-CE3 3.72Å; L393-W446 HydrophobicContact CD2-CG 4.28Å; L393-W446 HydrophobicContact CD2-CZ3 4.49Å; L393-W446 HydrophobicContact CG-CB 4.5Å; L393-T447 HydrophobicContact CD1-CG2 4.28Å; L393-F545 HydrophobicContact CD2-CB 3.84Å; L393-F545 HydrophobicContact CD2-CD1 4.2Å; L393-F545 HydrophobicContact CD2-CG 4.07Å
394I97.8Very high96Very high5 Ų519.1 Ų19.13%0.02613%0.125CC..Hα-helixtrans-60.5-45.8173.8-67.5167000109.6W321 G325 F326 W329 G390 A391 M396 L397 H398 F406W321-I394 HydrophobicContact CE3-CD1 4.42Å; W321-I394 HydrophobicContact CZ3-CD1 4.01Å; W321-I394 HydrophobicContact CZ3-CG1 3.91Å; G325-I394 VanDerWaalsContact C-CD1 3.41Å; G325-I394 WeakPolarHBondContact O-CD1 3.33Å; F326-I394 HydrophobicContact CB-CD1 4.28Å; F326-I394 HydrophobicContact CD1-CD1 3.88Å; F326-I394 HydrophobicContact CD1-CG2 4.26Å; F326-I394 HydrophobicContact CD2-CD1 3.63Å; F326-I394 HydrophobicContact CE1-CD1 4.03Å; F326-I394 HydrophobicContact CE1-CG1 4.33Å; F326-I394 HydrophobicContact CE1-CG2 3.96Å; F326-I394 HydrophobicContact CE2-CD1 3.8Å; F326-I394 HydrophobicContact CE2-CG1 4.32Å; F326-I394 HydrophobicContact CG-CD1 3.68Å; F326-I394 HydrophobicContact CZ-CD1 3.99Å; F326-I394 HydrophobicContact CZ-CG1 4.18Å; W329-I394 HydrophobicContact CB-CB 4.38Å; W329-I394 HydrophobicContact CB-CG2 4.1Å; W329-I394 HydrophobicContact CD2-CB 4.48Å; W329-I394 HydrophobicContact CD2-CG2 3.44Å; W329-I394 VanDerWaalsContact CD2-CG2 3.44Å; W329-I394 HydrophobicContact CE3-CG2 3.6Å; W329-I394 HydrophobicContact CG-CB 4.23Å; W329-I394 HydrophobicContact CG-CG2 3.66Å; W329-I394 HydrophobicContact CZ3-CG2 4.25Å; G390-I394 WeakPolarHBondContact O-CD1 3.5Å; G390-I394 VanDerWaalsContact O-CG1 3.25Å; G390-I394 WeakPolarHBondContact O-CG1 3.13Å; G390-I394 PolarHBondContact O-N 3.44Å; A391-I394 PolarHBondContact O-N 3.26Å; I394-M396 PolarHBondContact O-N 3.36Å; I394-L397 PolarHBondContact O-N 3.12Å; I394-H398 WeakPolarHBondContact O-CB 3.49Å; I394-H398 PolarHBondContact O-N 3.03Å; I394-F406 HydrophobicContact CG2-CE2 4.33Å; I394-F406 HydrophobicContact CG2-CZ 3.69Å
395N97.2Very high96.1Very high5 Ų520.2 Ų20.23%0.02713%0.128CC..Hα-helixtrans-62.6-39.6175.9-167.946.8000112.8W345 F348 A391 S392 L393 H398 G399W345-N395 WeakPolarHBondContact CH2-OD1 3.42Å; W345-N395 WeakPolarHBondContact CZ2-OD1 3.36Å; F348-N395 HydrophobicContact CE1-CB 3.99Å; F348-N395 HydrophobicContact CZ-CB 3.94Å; A391-N395 PolarHBondContact O-N 3.06Å; S392-N395 PolarHBondContact O-N 3.48Å; L393-N395 VanDerWaalsContact C-N 3.32Å; N395-H398 PolarHBondContact O-N 3.48Å; N395-G399 PolarHBondContact O-N 2.82Å
396M97.6Very high96.1Very high3 Ų320.3 Ų20.32%0.01513%0.128CC..Hα-helixtrans-61.3-46.6175.1-174.8172.365.800111.7S392 L393 I394 G399 Y400 M443 W446 P492 T543 F545 Y546S392-M396 WeakPolarHBondContact O-CB 3.38Å; S392-M396 PolarHBondContact O-N 3.17Å; L393-M396 HydrophobicContact CD2-CE 3.76Å; L393-M396 WeakPolarHBondContact O-CB 3.31Å; L393-M396 PolarHBondContact O-N 3.14Å; I394-M396 PolarHBondContact O-N 3.36Å; M396-G399 PolarHBondContact O-N 2.64Å; M396-Y400 WeakPolarHBondContact O-CB 3.45Å; M396-Y400 PolarHBondContact O-N 2.89Å; M396-M443 HydrophobicContact CE-CE 4.18Å; M396-M443 HydrophobicContact CE-SD 4.47Å; M396-W446 HydrophobicContact CE-CD2 3.81Å; M396-W446 HydrophobicContact CE-CE3 4.17Å; M396-W446 HydrophobicContact CE-CG 4.28Å; M396-W446 HydrophobicContact CE-CH2 4.25Å; M396-W446 HydrophobicContact CE-CZ2 3.9Å; M396-W446 HydrophobicContact CE-CZ3 4.38Å; M396-W446 HydrophobicContact SD-CH2 4.32Å; M396-W446 HydrophobicContact SD-CZ2 4.24Å; M396-P492 HydrophobicContact CE-CG 4.13Å; M396-P492 HydrophobicContact CG-CG 3.78Å; M396-P492 HydrophobicContact SD-CG 3.71Å; M396-T543 WeakPolarHBondContact CA-O 3.39Å; M396-T543 WeakPolarHBondContact CB-O 3.19Å; M396-T543 PolarHBondContact N-O 3.34Å; M396-F545 HydrophobicContact SD-CB 4.3Å; M396-Y546 HydrophobicContact SD-CE1 4.37Å
397L96.3Very high96.1Very high3 Ų325.4 Ų25.42%0.01615%0.147CC..Hα-helixtrans-65.6-42.4177.7-173.963.1000111.3L393 I394 Y400 L401 F406 W428 F431 V439 L442 M443L393-L397 PolarHBondContact O-N 3.31Å; I394-L397 PolarHBondContact O-N 3.12Å; L397-Y400 PolarHBondContact O-N 2.81Å; L397-L401 HydrophobicContact CD1-CD1 3.75Å; L397-L401 HydrophobicContact CD1-CD2 4.37Å; L397-L401 HydrophobicContact CD1-CG 3.8Å; L397-L401 HydrophobicContact CD2-CD1 4.4Å; L397-L401 HydrophobicContact CG-CD1 3.82Å; L397-L401 HydrophobicContact CG-CG 4.17Å; L397-L401 WeakPolarHBondContact O-CB 3.41Å; L397-L401 WeakPolarHBondContact O-CG 3.5Å; L397-L401 PolarHBondContact O-N 2.8Å; L397-F406 HydrophobicContact CB-CE2 4.44Å; L397-F406 HydrophobicContact CD2-CE2 4.37Å; L397-F406 HydrophobicContact CG-CD2 4.46Å; L397-F406 HydrophobicContact CG-CE2 4.37Å; L397-W428 HydrophobicContact CD2-CE3 4.49Å; L397-W428 HydrophobicContact CD2-CZ3 3.82Å; L397-F431 HydrophobicContact CD2-CD2 3.88Å; L397-F431 HydrophobicContact CD2-CE2 3.91Å; L397-F431 HydrophobicContact CD2-CG 4.27Å; L397-F431 HydrophobicContact CD2-CZ 4.35Å; L397-V439 HydrophobicContact CD1-CG1 4Å; L397-V439 HydrophobicContact CD2-CG1 4.01Å; L397-L442 HydrophobicContact CD1-CD2 4.29Å; L397-M443 HydrophobicContact CD1-CG 4.26Å; L397-M443 HydrophobicContact CD1-SD 4.16Å; L397-M443 HydrophobicContact CD2-CG 4.4Å
398H95.9Very high96Very high30 Ų3025.8 Ų25.814%0.13916%0.158CC..Hα-helixtrans-59-48.1174.7173-97.9000111.9W329 F333 I394 N395 Y400 G402 G403 F406W329-H398 HydrophobicContact CZ2-CB 4.06Å; W329-H398 AromaticContact CZ2-CD2 3.98Å; W329-H398 AromaticContact CZ2-CG 3.83Å; F333-H398 AromaticContact CZ-CE1 3.63Å; F333-H398 AromaticContact CZ-ND1 3.98Å; I394-H398 WeakPolarHBondContact O-CB 3.49Å; I394-H398 PolarHBondContact O-N 3.03Å; N395-H398 PolarHBondContact O-N 3.48Å; H398-Y400 VanDerWaalsContact C-N 3.3Å; H398-Y400 PolarHBondContact O-N 3.25Å; H398-G402 VanDerWaalsContact O-CA 3.3Å; H398-G402 WeakPolarHBondContact O-CA 3.49Å; H398-G402 PolarHBondContact O-N 2.82Å; H398-G403 WeakPolarHBondContact NE2-CA 3.36Å; H398-F406 HydrophobicContact CB-CD1 4.37Å; H398-F406 HydrophobicContact CB-CD2 3.8Å; H398-F406 HydrophobicContact CB-CE2 3.95Å; H398-F406 HydrophobicContact CB-CG 4.03Å; H398-F406 HydrophobicContact CB-CZ 4.32Å; H398-F406 AromaticContact CD2-CD1 3.69Å; H398-F406 AromaticContact CD2-CG 3.7Å
399G93.9Very high96Very high24 Ų2425.4 Ų25.425%0.24716%0.156CC..Hα-helixtrans-64.7-33.4177.400000113.2N395 M396 K509N395-G399 PolarHBondContact O-N 2.82Å; M396-G399 PolarHBondContact O-N 2.64Å; G399-K509 PolarHBondContact O-NZ 3.1Å
400Y93.9Very high95.9Very high38 Ų3825.5 Ų25.515%0.14916%0.156CC..Hα-helixtrans-75.9-50.7179.4-173.1-109.7000112.8M396 L397 H398 M437 L442 P492 K509 V511M396-Y400 WeakPolarHBondContact O-CB 3.45Å; M396-Y400 PolarHBondContact O-N 2.89Å; L397-Y400 PolarHBondContact O-N 2.81Å; H398-Y400 VanDerWaalsContact C-N 3.3Å; H398-Y400 PolarHBondContact O-N 3.25Å; Y400-M437 HydrophobicContact CE1-CE 3.63Å; Y400-L442 HydrophobicContact CD1-CD2 4.21Å; Y400-L442 HydrophobicContact CE1-CD2 4.31Å; Y400-P492 HydrophobicContact CD1-CB 4.17Å; Y400-P492 HydrophobicContact CD2-CB 3.47Å; Y400-P492 VanDerWaalsContact CD2-CB 3.47Å; Y400-P492 HydrophobicContact CE1-CB 4.46Å; Y400-P492 HydrophobicContact CE2-CB 3.82Å; Y400-P492 HydrophobicContact CG-CB 3.68Å; Y400-K509 PolarHBondContact O-NZ 2.85Å; Y400-V511 HydrophobicContact CE1-CG2 4.48Å; Y400-V511 HydrophobicContact CE2-CG2 4.35Å; Y400-V511 WeakPolarHBondContact OH-CG2 3.24Å
401L93.1Very high95.8Very high13 Ų1326.4 Ų26.47%0.06816%0.163CC..Hα-helixtrans-72.9-33.9179.2-62.4-176000112.6L397 M405 F431 C435 M437L397-L401 HydrophobicContact CD1-CD1 3.75Å; L397-L401 HydrophobicContact CD1-CD2 4.37Å; L397-L401 HydrophobicContact CD1-CG 3.8Å; L397-L401 HydrophobicContact CD2-CD1 4.4Å; L397-L401 HydrophobicContact CG-CD1 3.82Å; L397-L401 HydrophobicContact CG-CG 4.17Å; L397-L401 WeakPolarHBondContact O-CB 3.41Å; L397-L401 WeakPolarHBondContact O-CG 3.5Å; L397-L401 PolarHBondContact O-N 2.8Å; L401-M405 HydrophobicContact CB-CE 4.44Å; L401-M405 WeakPolarHBondContact O-CE 3.28Å; L401-F431 HydrophobicContact CD1-CD1 4.16Å; L401-C435 HydrophobicContact CD2-CB 4.22Å; L401-M437 HydrophobicContact CD2-SD 4.13Å
402G92.8Very high95.8Very high28 Ų2830.4 Ų30.429%0.28918%0.18SC..  trans86.9149.2-170.300000112.9H398 S404 M405 F406H398-G402 VanDerWaalsContact O-CA 3.3Å; H398-G402 WeakPolarHBondContact O-CA 3.49Å; H398-G402 PolarHBondContact O-N 2.82Å; G402-S404 VanDerWaalsContact C-N 3.34Å; G402-S404 PolarHBondContact O-N 3Å; G402-M405 PolarHBondContact O-N 2.69Å; G402-F406 WeakPolarHBondContact O-CB 3.02Å; G402-F406 PolarHBondContact O-N 2.99Å; G402-F406 VanDerWaalsContact O-N 3.08Å
403G92.6Very high95.8Very high32 Ų3230.4 Ų30.433%0.3318%0.18SC..Hα-helixtrans-61.3-32.3-165.600000115.8H398 R407H398-G403 WeakPolarHBondContact NE2-CA 3.36Å; G403-R407 WeakPolarHBondContact O-CB 3.25Å; G403-R407 PolarHBondContact O-N 3.41Å
404S94.3Very high95.8Very high105 Ų10530.4 Ų30.473%0.73418%0.18SC*.Hα-helixtrans-68.5-49.6179.9176.70000112.5G402 S408G402-S404 VanDerWaalsContact C-N 3.34Å; G402-S404 PolarHBondContact O-N 3Å; S404-S408 WeakPolarHBondContact O-CB 3.38Å; S404-S408 PolarHBondContact O-N 3.13Å
405M95Very high95.8Very high73 Ų7337.4 Ų37.436%0.3621%0.206SC..Hα-helixtrans-67.6-39.6178.2-68.9-165.1-64.600111.2L401 G402 S408 G409 C435L401-M405 HydrophobicContact CB-CE 4.44Å; L401-M405 WeakPolarHBondContact O-CE 3.28Å; G402-M405 PolarHBondContact O-N 2.69Å; M405-S408 PolarHBondContact O-N 2.96Å; M405-G409 PolarHBondContact O-N 2.82Å; M405-C435 HydrophobicContact CB-CB 4.36Å; M405-C435 HydrophobicContact CE-CB 4.25Å; M405-C435 HydrophobicContact SD-CB 3.7Å
406F96Very high95.8Very high1 Ų142.1 Ų42.10%0.00423%0.226CC..Hα-helixtrans-60-52.2176.6-173.6-86.8000111.5F326 W329 I394 L397 H398 G402 S408 G409 L410 F431F326-F406 HydrophobicContact CE1-CZ 4.25Å; W329-F406 HydrophobicContact CH2-CD1 4.05Å; W329-F406 AromaticContact CH2-CE1 3.39Å; W329-F406 HydrophobicContact CH2-CE1 3.39Å; W329-F406 HydrophobicContact CH2-CZ 4.09Å; W329-F406 HydrophobicContact CZ2-CE1 4.14Å; W329-F406 AromaticContact CZ3-CE1 3.67Å; W329-F406 HydrophobicContact CZ3-CE1 3.67Å; W329-F406 HydrophobicContact CZ3-CZ 4.2Å; I394-F406 HydrophobicContact CG2-CE2 4.33Å; I394-F406 HydrophobicContact CG2-CZ 3.69Å; L397-F406 HydrophobicContact CB-CE2 4.44Å; L397-F406 HydrophobicContact CD2-CE2 4.37Å; L397-F406 HydrophobicContact CG-CD2 4.46Å; L397-F406 HydrophobicContact CG-CE2 4.37Å; H398-F406 HydrophobicContact CB-CD1 4.37Å; H398-F406 HydrophobicContact CB-CD2 3.8Å; H398-F406 HydrophobicContact CB-CE2 3.95Å; H398-F406 HydrophobicContact CB-CG 4.03Å; H398-F406 HydrophobicContact CB-CZ 4.32Å; H398-F406 AromaticContact CD2-CD1 3.69Å; H398-F406 AromaticContact CD2-CG 3.7Å; G402-F406 WeakPolarHBondContact O-CB 3.02Å; G402-F406 PolarHBondContact O-N 2.99Å; G402-F406 VanDerWaalsContact O-N 3.08Å; F406-S408 VanDerWaalsContact C-N 3.31Å; F406-S408 PolarHBondContact O-N 3.12Å; F406-G409 PolarHBondContact O-N 2.96Å; F406-L410 HydrophobicContact CE1-CD2 3.92Å; F406-L410 PolarHBondContact O-N 2.98Å; F406-F431 HydrophobicContact CD1-CE1 4.43Å; F406-F431 HydrophobicContact CD2-CD1 4.41Å; F406-F431 AromaticContact CD2-CE1 3.53Å; F406-F431 HydrophobicContact CD2-CE1 3.53Å; F406-F431 AromaticContact CD2-CZ 3.85Å; F406-F431 HydrophobicContact CD2-CZ 3.85Å; F406-F431 HydrophobicContact CE1-CZ 4.38Å; F406-F431 AromaticContact CE2-CE1 3.65Å; F406-F431 HydrophobicContact CE2-CE1 3.65Å; F406-F431 HydrophobicContact CE2-CE2 4.37Å; F406-F431 AromaticContact CE2-CZ 3.43Å; F406-F431 HydrophobicContact CE2-CZ 3.43Å; F406-F431 VanDerWaalsContact CE2-CZ 3.43Å; F406-F431 AromaticContact CG-CE1 3.95Å; F406-F431 HydrophobicContact CG-CE1 3.95Å; F406-F431 HydrophobicContact CG-CZ 4.48Å; F406-F431 HydrophobicContact CZ-CE1 4.13Å; F406-F431 AromaticContact CZ-CZ 3.71Å; F406-F431 HydrophobicContact CZ-CZ 3.71Å; F406-F431 WeakPolarHBondContact O-CE1 3.5Å
407R95.6Very high95.9Very high108 Ų10843.1 Ų43.141%0.40823%0.23SC..Hα-helixtrans-59.2-41.8178.1-176.6179.2173.3-1721.5112E243 Y244 G403 G409 L410 S411E243-R407 PolarHBondContact O-NH2 3.4Å; Y244-R407 HydrophobicContact CE1-CG 4.46Å; Y244-R407 WeakPolarHBondContact O-CG 3.45Å; Y244-R407 PolarHBondContact O-NE 3.15Å; Y244-R407 PolarHBondContact O-NH2 2.96Å; G403-R407 WeakPolarHBondContact O-CB 3.25Å; G403-R407 PolarHBondContact O-N 3.41Å; R407-G409 PolarHBondContact O-N 3.36Å; R407-L410 PolarHBondContact O-N 3.01Å; R407-S411 WeakPolarHBondContact O-CB 3.29Å; R407-S411 PolarHBondContact O-N 3.19Å; R407-S411 PolarHBondContact O-OG 2.98Å
408S95.8Very high96Very high63 Ų6344.6 Ų44.644%0.44124%0.243SC..Hα-helixtrans-59.5-46.2176-174.60000112.3S404 M405 F406 L410 S411 F412S404-S408 WeakPolarHBondContact O-CB 3.38Å; S404-S408 PolarHBondContact O-N 3.13Å; M405-S408 PolarHBondContact O-N 2.96Å; F406-S408 VanDerWaalsContact C-N 3.31Å; F406-S408 PolarHBondContact O-N 3.12Å; S408-L410 VanDerWaalsContact C-N 3.34Å; S408-L410 PolarHBondContact O-N 2.66Å; S408-S411 PolarHBondContact O-N 3.17Å; S408-F412 WeakPolarHBondContact O-CB 3.35Å; S408-F412 PolarHBondContact O-N 3.31Å
409G96.8Very high96.1Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-61.8-42.4176.900000112.6M405 F406 R407 F412 Y413 S434M405-G409 PolarHBondContact O-N 2.82Å; F406-G409 PolarHBondContact O-N 2.96Å; R407-G409 PolarHBondContact O-N 3.36Å; G409-F412 PolarHBondContact O-N 3.19Å; G409-Y413 PolarHBondContact O-N 2.76Å; G409-S434 WeakPolarHBondContact CA-OG 3.17Å; G409-S434 PolarHBondContact N-OG 3.37Å
410L96.8Very high96.3Very high1 Ų148.1 Ų48.11%0.00526%0.256CS..Hα-helixtrans-67.7-43.5179.6-163.758.7000112.6Y244 F245 F308 F326 F406 R407 S408 F412 Y413 L414 F431Y244-L410 HydrophobicContact CE1-CD2 4.48Å; F245-L410 HydrophobicContact CD1-CD2 4.13Å; F245-L410 HydrophobicContact CD1-CG 4.47Å; F245-L410 HydrophobicContact CE1-CD2 3.83Å; F308-L410 HydrophobicContact CE1-CD1 3.64Å; F308-L410 HydrophobicContact CE1-CG 4.31Å; F308-L410 HydrophobicContact CZ-CD1 3.58Å; F308-L410 HydrophobicContact CZ-CD2 3.79Å; F308-L410 HydrophobicContact CZ-CG 3.79Å; F326-L410 HydrophobicContact CD1-CD1 4.13Å; F326-L410 HydrophobicContact CE1-CD1 3.44Å; F326-L410 VanDerWaalsContact CE1-CD1 3.44Å; F326-L410 HydrophobicContact CE1-CD2 4.18Å; F326-L410 HydrophobicContact CE1-CG 4.46Å; F326-L410 HydrophobicContact CZ-CD1 3.84Å; F406-L410 HydrophobicContact CE1-CD2 3.92Å; F406-L410 PolarHBondContact O-N 2.98Å; R407-L410 PolarHBondContact O-N 3.01Å; S408-L410 VanDerWaalsContact C-N 3.34Å; S408-L410 PolarHBondContact O-N 2.66Å; L410-F412 VanDerWaalsContact C-N 3.31Å; L410-F412 PolarHBondContact O-N 3.31Å; L410-Y413 HydrophobicContact CD1-CD1 4.47Å; L410-Y413 WeakPolarHBondContact O-CB 3.41Å; L410-Y413 PolarHBondContact O-N 3.28Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 3.2Å; L410-F431 HydrophobicContact CD1-CZ 4.49Å
411S96.9Very high96.5Very high20 Ų2047.7 Ų47.714%0.1426%0.256CS..Hα-helixtrans-61.2-40173-69.20000111.9F245 R407 S408 R415F245-S411 WeakPolarHBondContact O-CB 3.2Å; F245-S411 PolarHBondContact O-OG 3.38Å; R407-S411 WeakPolarHBondContact O-CB 3.29Å; R407-S411 PolarHBondContact O-N 3.19Å; R407-S411 PolarHBondContact O-OG 2.98Å; S408-S411 PolarHBondContact O-N 3.17Å; S411-R415 WeakPolarHBondContact O-CB 3.28Å; S411-R415 VanDerWaalsContact O-CG 3.31Å; S411-R415 WeakPolarHBondContact O-CG 3.22Å; S411-R415 PolarHBondContact O-N 3.12Å
412F97.1Very high96.8Very high83 Ų8347.1 Ų47.136%0.36425%0.253SS..Hα-helixtrans-64.2-45.7175.9175.5-98.2000111.6S408 G409 L410 R415 K416 F429 A430S408-F412 WeakPolarHBondContact O-CB 3.35Å; S408-F412 PolarHBondContact O-N 3.31Å; G409-F412 PolarHBondContact O-N 3.19Å; L410-F412 VanDerWaalsContact C-N 3.31Å; L410-F412 PolarHBondContact O-N 3.31Å; F412-R415 PolarHBondContact O-N 2.92Å; F412-K416 HydrophobicContact CE1-CD 4Å; F412-K416 HydrophobicContact CZ-CD 3.96Å; F412-K416 VanDerWaalsContact O-CB 3.24Å; F412-K416 WeakPolarHBondContact O-CB 3.26Å; F412-K416 PolarHBondContact O-N 2.84Å; F412-F429 HydrophobicContact CE1-CD1 4.26Å; F412-F429 AromaticContact CE1-CE1 3.92Å; F412-F429 HydrophobicContact CE1-CE1 3.92Å; F412-F429 HydrophobicContact CZ-CE1 4.2Å; F412-A430 HydrophobicContact CD1-CB 3.69Å; F412-A430 HydrophobicContact CE1-CB 4.24Å
413Y98.3Very high97Very high3 Ų347.9 Ų47.91%0.01225%0.252CS..Hα-helixtrans-54.5-56.6174.1171.3-103.8000111.2F308 V312 G409 L410 R415 K416 Y417 A422 D426 L427 A430F308-Y413 HydrophobicContact CE1-CE1 4.41Å; V312-Y413 HydrophobicContact CB-CE1 4.37Å; V312-Y413 HydrophobicContact CG1-CE1 3.94Å; V312-Y413 HydrophobicContact CG1-CE2 4.49Å; V312-Y413 WeakPolarHBondContact CG1-OH 3.33Å; G409-Y413 PolarHBondContact O-N 2.76Å; L410-Y413 HydrophobicContact CD1-CD1 4.47Å; L410-Y413 WeakPolarHBondContact O-CB 3.41Å; L410-Y413 PolarHBondContact O-N 3.28Å; Y413-R415 VanDerWaalsContact C-N 3.34Å; Y413-R415 PolarHBondContact O-N 3.05Å; Y413-K416 PolarHBondContact O-N 3Å; Y413-K416 VanDerWaalsContact O-N 3.16Å; Y413-Y417 AromaticContact CD2-CD2 3.7Å; Y413-Y417 HydrophobicContact CD2-CD2 3.7Å; Y413-Y417 AromaticContact CD2-CE2 3.99Å; Y413-Y417 HydrophobicContact CD2-CE2 3.99Å; Y413-Y417 AromaticContact CE2-CD2 3.92Å; Y413-Y417 HydrophobicContact CE2-CD2 3.92Å; Y413-Y417 HydrophobicContact CE2-CE2 4.35Å; Y413-Y417 HydrophobicContact CG-CD2 4.45Å; Y413-Y417 VanDerWaalsContact O-CD2 3.3Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.4Å; Y413-Y417 PolarHBondContact O-N 2.79Å; Y413-Y417 VanDerWaalsContact O-N 3.1Å; Y413-A422 HydrophobicContact CE2-CB 3.75Å; Y413-A422 WeakPolarHBondContact OH-CB 3.45Å; Y413-D426 HydrophobicContact CE2-CB 4.45Å; Y413-L427 HydrophobicContact CD1-CD1 4.08Å; Y413-L427 HydrophobicContact CD2-CB 4.33Å; Y413-L427 HydrophobicContact CD2-CD1 3.99Å; Y413-L427 HydrophobicContact CE1-CD1 4.32Å; Y413-L427 HydrophobicContact CE2-CB 4.18Å; Y413-L427 HydrophobicContact CE2-CD1 4.22Å; Y413-L427 HydrophobicContact CG-CD1 3.91Å; Y413-A430 HydrophobicContact CD2-CB 4.4Å
414L98.4Very high97.3Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-61.9-39.3-176.2-70.7172.4000112.8F245 I247 W307 F308 V312 L410 A418F245-L414 HydrophobicContact CB-CD1 3.79Å; F245-L414 HydrophobicContact CD1-CD1 3.73Å; F245-L414 HydrophobicContact CD2-CD1 4.18Å; F245-L414 HydrophobicContact CE1-CD1 4.41Å; F245-L414 HydrophobicContact CG-CD1 3.62Å; I247-L414 HydrophobicContact CD1-CB 3.36Å; I247-L414 HydrophobicContact CD1-CD1 4.38Å; W307-L414 HydrophobicContact CB-CD1 4.14Å; W307-L414 HydrophobicContact CB-CD2 4.13Å; W307-L414 HydrophobicContact CG-CD1 4.47Å; F308-L414 HydrophobicContact CD1-CD2 4.09Å; F308-L414 HydrophobicContact CE1-CD1 4.27Å; F308-L414 HydrophobicContact CE1-CD2 3.77Å; F308-L414 HydrophobicContact CE1-CG 4.2Å; F308-L414 HydrophobicContact CZ-CD1 3.94Å; F308-L414 HydrophobicContact CZ-CD2 4.24Å; F308-L414 HydrophobicContact CZ-CG 4.36Å; V312-L414 HydrophobicContact CB-CD2 4.28Å; V312-L414 HydrophobicContact CG2-CD2 3.77Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 3.2Å; L414-A418 WeakPolarHBondContact O-CB 3.35Å; L414-A418 PolarHBondContact O-N 2.73Å; L414-A418 VanDerWaalsContact O-N 3.14Å
415R98Very high97.4Very high153 Ų15344.9 Ų44.958%0.57722%0.22SC*.Hα-helixtrans-68.1-40.4176.2-72.7-175.8-165.4-81.20.6112.5G246 I247 S411 F412 Y413G246-R415 PolarHBondContact O-NH2 2.94Å; I247-R415 HydrophobicContact CD1-CG 3.75Å; I247-R415 HydrophobicContact CG1-CG 4Å; S411-R415 WeakPolarHBondContact O-CB 3.28Å; S411-R415 VanDerWaalsContact O-CG 3.31Å; S411-R415 WeakPolarHBondContact O-CG 3.22Å; S411-R415 PolarHBondContact O-N 3.12Å; F412-R415 PolarHBondContact O-N 2.92Å; Y413-R415 VanDerWaalsContact C-N 3.34Å; Y413-R415 PolarHBondContact O-N 3.05Å
416K97.8Very high97.6Very high104 Ų10443.4 Ų43.445%0.45221%0.214SC..Hα-helixtrans-67.7-38.9-175.8179.6173174.5-172.10111.9F412 Y413F412-K416 HydrophobicContact CE1-CD 4Å; F412-K416 HydrophobicContact CZ-CD 3.96Å; F412-K416 VanDerWaalsContact O-CB 3.24Å; F412-K416 WeakPolarHBondContact O-CB 3.26Å; F412-K416 PolarHBondContact O-N 2.84Å; Y413-K416 PolarHBondContact O-N 3Å; Y413-K416 VanDerWaalsContact O-N 3.16Å
417Y98.2Very high97.6Very high24 Ų2443.4 Ų43.49%0.09421%0.214CC..THydrogen-bonded Turntrans-106.314.3-175.1-58.6-82.3000113.4Y413 Y419 A420 A422 D426Y413-Y417 AromaticContact CD2-CD2 3.7Å; Y413-Y417 HydrophobicContact CD2-CD2 3.7Å; Y413-Y417 AromaticContact CD2-CE2 3.99Å; Y413-Y417 HydrophobicContact CD2-CE2 3.99Å; Y413-Y417 AromaticContact CE2-CD2 3.92Å; Y413-Y417 HydrophobicContact CE2-CD2 3.92Å; Y413-Y417 HydrophobicContact CE2-CE2 4.35Å; Y413-Y417 HydrophobicContact CG-CD2 4.45Å; Y413-Y417 VanDerWaalsContact O-CD2 3.3Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.4Å; Y413-Y417 PolarHBondContact O-N 2.79Å; Y413-Y417 VanDerWaalsContact O-N 3.1Å; Y417-Y419 PolarHBondContact O-N 3.18Å; Y417-A420 WeakPolarHBondContact O-CA 3.49Å; Y417-A420 WeakPolarHBondContact O-CB 3.4Å; Y417-A420 PolarHBondContact O-N 3.35Å; Y417-A422 HydrophobicContact CD1-CB 4.19Å; Y417-A422 HydrophobicContact CD2-CB 4.5Å; Y417-A422 HydrophobicContact CG-CB 4.11Å; Y417-D426 HydrophobicContact CE1-CB 4.04Å; Y417-D426 HydrophobicContact CE2-CB 3.78Å; Y417-D426 VanDerWaalsContact CZ-CB 3.48Å; Y417-D426 VanDerWaalsContact CZ-CG 3.4Å; Y417-D426 VanDerWaalsContact CZ-OD1 3.29Å; Y417-D426 WeakPolarHBondContact OH-CB 3.31Å; Y417-D426 PolarHBondContact OH-OD1 3.24Å
418A98.3Very high97.7Very high34 Ų3438.5 Ų38.528%0.28120%0.195SC..THydrogen-bonded Turntrans-55.5129.417800000111.8L311 L414 A420L311-A418 HydrophobicContact CD1-CB 3.96Å; L311-A418 HydrophobicContact CD2-CB 4.37Å; L311-A418 HydrophobicContact CG-CB 4.11Å; L414-A418 WeakPolarHBondContact O-CB 3.35Å; L414-A418 PolarHBondContact O-N 2.73Å; L414-A418 VanDerWaalsContact O-N 3.14Å; A418-A420 PolarHBondContact O-N 3.23Å
419Y98.4Very high97.8Very high90 Ų9040.3 Ų40.335%0.35320%0.195SC..THydrogen-bonded Turntrans62.517.6-175.2-49.5-77.6000114.8P185 P250 W270 L311 Y417P185-Y419 HydrophobicContact CB-CD1 4Å; P185-Y419 HydrophobicContact CB-CE1 3.63Å; P185-Y419 HydrophobicContact CG-CE1 4.36Å; P250-Y419 WeakPolarHBondContact CB-OH 3.38Å; W270-Y419 AromaticContact CH2-CD1 3.9Å; W270-Y419 HydrophobicContact CH2-CD1 3.9Å; W270-Y419 AromaticContact CH2-CE1 3.72Å; W270-Y419 HydrophobicContact CH2-CE1 3.72Å; W270-Y419 HydrophobicContact CZ2-CE1 4.34Å; L311-Y419 HydrophobicContact CD1-CD1 3.98Å; L311-Y419 HydrophobicContact CD1-CD2 4.1Å; L311-Y419 HydrophobicContact CD1-CE1 3.75Å; L311-Y419 HydrophobicContact CD1-CE2 3.89Å; L311-Y419 HydrophobicContact CD1-CG 4.15Å; L311-Y419 WeakPolarHBondContact O-CA 3.32Å; L311-Y419 PolarHBondContact O-N 3.43Å; Y417-Y419 PolarHBondContact O-N 3.18Å
420A98.3Very high97.8Very high37 Ų3740.3 Ų40.331%0.30620%0.195SC..EExtended strand (participates in β ladder)trans-126.3-171.4177.700000110.5K145 T313 Y417 A418K145-A420 VanDerWaalsContact CE-O 3.3Å; K145-A420 WeakPolarHBondContact CE-O 3.26Å; K145-A420 PolarHBondContact NZ-O 2.92Å; T313-A420 PolarHBondContact N-O 3.32Å; Y417-A420 WeakPolarHBondContact O-CA 3.49Å; Y417-A420 WeakPolarHBondContact O-CB 3.4Å; Y417-A420 PolarHBondContact O-N 3.35Å; A418-A420 PolarHBondContact O-N 3.23Å
421N98.5Very high97.8Very high30 Ų3040.3 Ų40.316%0.1620%0.195CC..EExtended strand (participates in β ladder)trans-110.2160.2176-5979.3000110.4P142 E143 T313 M314 E315P142-N421 PolarHBondContact O-ND2 3.48Å; E143-N421 WeakPolarHBondContact CA-ND2 3.46Å; E143-N421 PolarHBondContact O-OD1 2.85Å; T313-N421 CarbonylContact O-C 3.56Å; T313-N421 WeakPolarHBondContact O-CA 3.37Å; M314-N421 PolarHBondContact O-ND2 3.04Å; E315-N421 HydrophobicContact CB-CB 4.22Å
422A98.3Very high97.7Very high1 Ų140.7 Ų40.71%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-142.9156.9177.100000111.2V312 T313 M314 E315 Y413 Y417 D426V312-A422 HydrophobicContact CG1-CB 3.96Å; T313-A422 PolarHBondContact O-N 2.94Å; M314-A422 CarbonylContact C-O 3.53Å; M314-A422 WeakPolarHBondContact CA-O 3.4Å; E315-A422 PolarHBondContact N-O 3.16Å; Y413-A422 HydrophobicContact CE2-CB 3.75Å; Y413-A422 WeakPolarHBondContact OH-CB 3.45Å; Y417-A422 HydrophobicContact CD1-CB 4.19Å; Y417-A422 HydrophobicContact CD2-CB 4.5Å; Y417-A422 HydrophobicContact CG-CB 4.11Å; A422-D426 HydrophobicContact CB-CB 4.18Å
423V97.9Very high97.5Very high44 Ų4439.9 Ų39.927%0.26721%0.205SC..  trans-111.3168.6170-62.50000110.9E315 D425 D426E315-V423 HydrophobicContact CB-CG1 3.91Å; V423-D425 HydrophobicContact CG2-CB 4.49Å; V423-D425 PolarHBondContact O-N 2.78Å; V423-D425 VanDerWaalsContact O-N 3.16Å; V423-D426 WeakPolarHBondContact CG2-OD2 3.4Å; V423-D426 PolarHBondContact N-OD2 3.21Å; V423-D426 WeakPolarHBondContact O-CB 3.38Å; V423-D426 PolarHBondContact O-N 2.82Å
424T97.8Very high97.2Very high1 Ų141.6 Ų41.61%0.00622%0.217CC..Hα-helixtrans-53.8-38.4-178.7-73.10000113.4D319 W321 D426 L427 W428D319-T424 VanDerWaalsContact OD1-CB 3.24Å; D319-T424 WeakPolarHBondContact OD1-CB 3.35Å; D319-T424 PolarHBondContact OD1-N 3.16Å; D319-T424 VanDerWaalsContact OD1-N 3.16Å; D319-T424 PolarHBondContact OD1-OG1 2.89Å; W321-T424 HydrophobicContact CZ2-CG2 3.93Å; W321-T424 PolarHBondContact NE1-OG1 3.1Å; T424-D426 VanDerWaalsContact C-N 3.31Å; T424-D426 PolarHBondContact O-N 2.98Å; T424-L427 WeakPolarHBondContact O-CB 3.5Å; T424-L427 PolarHBondContact O-N 2.66Å; T424-W428 HydrophobicContact CG2-CZ2 3.94Å; T424-W428 PolarHBondContact O-N 2.79Å
425D97.3Very high96.9Very high73 Ų7342.7 Ų42.739%0.3922%0.224SC..Hα-helixtrans-68.7-25.2-179.8-101.711.1000113.8V423 L427 W428 F429 R444V423-D425 HydrophobicContact CG2-CB 4.49Å; V423-D425 PolarHBondContact O-N 2.78Å; V423-D425 VanDerWaalsContact O-N 3.16Å; D425-L427 VanDerWaalsContact C-N 3.32Å; D425-W428 PolarHBondContact O-N 2.76Å; D425-F429 WeakPolarHBondContact O-CB 3.35Å; D425-F429 PolarHBondContact O-N 3.41Å; D425-R444 VanDerWaalsContact CG-NH2 3.25Å; D425-R444 IonicContact OD1-CZ 3.27Å; D425-R444 VanDerWaalsContact OD1-CZ 3.32Å; D425-R444 IonicContact OD1-NE 2.74Å; D425-R444 PolarHBondContact OD1-NE 3.49Å; D425-R444 IonicContact OD1-NH2 2.7Å; D425-R444 PolarHBondContact OD1-NH2 2.98Å; D425-R444 IonicContact OD2-CZ 3.16Å; D425-R444 IonicContact OD2-NE 3.88Å; D425-R444 IonicContact OD2-NH2 3.8Å; D425-R444 PolarHBondContact OD2-NH2 2.9Å
426D98.1Very high96.5Very high41 Ų4139 Ų3922%0.21923%0.233CC..Hα-helixtrans-65.8-37.7173.6-73.8-48.2000111.7Y413 Y417 A422 V423 T424 F429 A430Y413-D426 HydrophobicContact CE2-CB 4.45Å; Y417-D426 HydrophobicContact CE1-CB 4.04Å; Y417-D426 HydrophobicContact CE2-CB 3.78Å; Y417-D426 VanDerWaalsContact CZ-CB 3.48Å; Y417-D426 VanDerWaalsContact CZ-CG 3.4Å; Y417-D426 VanDerWaalsContact CZ-OD1 3.29Å; Y417-D426 WeakPolarHBondContact OH-CB 3.31Å; Y417-D426 PolarHBondContact OH-OD1 3.24Å; A422-D426 HydrophobicContact CB-CB 4.18Å; V423-D426 WeakPolarHBondContact CG2-OD2 3.4Å; V423-D426 PolarHBondContact N-OD2 3.21Å; V423-D426 WeakPolarHBondContact O-CB 3.38Å; V423-D426 PolarHBondContact O-N 2.82Å; T424-D426 VanDerWaalsContact C-N 3.31Å; T424-D426 PolarHBondContact O-N 2.98Å; D426-F429 PolarHBondContact O-N 2.7Å; D426-A430 PolarHBondContact O-N 2.94Å
427L97.8Very high96.2Very high1 Ų137.7 Ų37.71%0.00523%0.23CC..Hα-helixtrans-64.8-45.5174.7-178.172.3000110.8W321 L322 F326 Y413 T424 D425 F429 A430 F431W321-L427 HydrophobicContact CH2-CD2 3.77Å; W321-L427 HydrophobicContact CZ2-CD2 4.15Å; L322-L427 HydrophobicContact CD2-CB 4.26Å; L322-L427 HydrophobicContact CD2-CD2 3.79Å; F326-L427 HydrophobicContact CE2-CD1 4.05Å; F326-L427 HydrophobicContact CE2-CD2 3.64Å; F326-L427 HydrophobicContact CZ-CD1 3.83Å; F326-L427 HydrophobicContact CZ-CD2 3.84Å; F326-L427 HydrophobicContact CZ-CG 4.45Å; Y413-L427 HydrophobicContact CD1-CD1 4.08Å; Y413-L427 HydrophobicContact CD2-CB 4.33Å; Y413-L427 HydrophobicContact CD2-CD1 3.99Å; Y413-L427 HydrophobicContact CE1-CD1 4.32Å; Y413-L427 HydrophobicContact CE2-CB 4.18Å; Y413-L427 HydrophobicContact CE2-CD1 4.22Å; Y413-L427 HydrophobicContact CG-CD1 3.91Å; T424-L427 WeakPolarHBondContact O-CB 3.5Å; T424-L427 PolarHBondContact O-N 2.66Å; D425-L427 VanDerWaalsContact C-N 3.32Å; L427-F429 VanDerWaalsContact C-N 3.32Å; L427-F429 PolarHBondContact O-N 3.1Å; L427-A430 WeakPolarHBondContact O-CB 3.31Å; L427-A430 PolarHBondContact O-N 3.22Å; L427-A430 VanDerWaalsContact O-N 3.16Å; L427-F431 HydrophobicContact CD1-CD2 4.18Å; L427-F431 HydrophobicContact CD1-CE2 3.6Å; L427-F431 HydrophobicContact CD1-CZ 4.36Å; L427-F431 HydrophobicContact CD2-CE2 4.11Å; L427-F431 HydrophobicContact CG-CD2 3.94Å; L427-F431 HydrophobicContact CG-CE2 3.66Å; L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 2.94Å
428W97.3Very high95.9Very high6 Ų641.4 Ų41.42%0.02325%0.251CS..Hα-helixtrans-62.9-40.2177.2-56.9144.7000112.3W321 L397 T424 D425 A430 F431 A432 V439 M443 T447W321-W428 AromaticContact CH2-CH2 3.5Å; W321-W428 HydrophobicContact CH2-CH2 3.5Å; W321-W428 AromaticContact CH2-CZ2 3.79Å; W321-W428 HydrophobicContact CH2-CZ2 3.79Å; W321-W428 HydrophobicContact CH2-CZ3 4.43Å; W321-W428 HydrophobicContact CZ2-CH2 4.01Å; W321-W428 AromaticContact CZ2-CZ2 3.81Å; W321-W428 HydrophobicContact CZ2-CZ2 3.81Å; L397-W428 HydrophobicContact CD2-CE3 4.49Å; L397-W428 HydrophobicContact CD2-CZ3 3.82Å; T424-W428 HydrophobicContact CG2-CZ2 3.94Å; T424-W428 PolarHBondContact O-N 2.79Å; D425-W428 PolarHBondContact O-N 2.76Å; W428-A430 VanDerWaalsContact C-N 3.3Å; W428-A430 PolarHBondContact O-N 3.13Å; W428-F431 HydrophobicContact CE3-CD2 4.14Å; W428-F431 HydrophobicContact CZ3-CD2 4.3Å; W428-F431 HydrophobicContact CZ3-CE2 4.48Å; W428-F431 PolarHBondContact O-N 3.19Å; W428-A432 VanDerWaalsContact O-CB 3.27Å; W428-A432 WeakPolarHBondContact O-CB 3.33Å; W428-A432 PolarHBondContact O-N 3.16Å; W428-V439 HydrophobicContact CD2-CG1 4.48Å; W428-V439 HydrophobicContact CE3-CG1 3.78Å; W428-V439 HydrophobicContact CZ3-CG1 4.36Å; W428-M443 HydrophobicContact CD2-CB 4.06Å; W428-M443 HydrophobicContact CE3-CB 4.14Å; W428-M443 HydrophobicContact CE3-CG 4.25Å; W428-M443 HydrophobicContact CH2-CB 3.62Å; W428-M443 HydrophobicContact CH2-CE 4.26Å; W428-M443 HydrophobicContact CH2-CG 3.93Å; W428-M443 HydrophobicContact CZ2-CB 3.52Å; W428-M443 HydrophobicContact CZ2-CG 4.34Å; W428-M443 HydrophobicContact CZ3-CB 3.95Å; W428-M443 HydrophobicContact CZ3-CG 3.9Å; W428-T447 HydrophobicContact CZ2-CG2 3.78Å
429F96.9Very high95.8Very high100 Ų10039.9 Ų39.944%0.43924%0.239SC..Hα-helixtrans-58.3-43.2172.8174-93.6000111.9F412 D425 D426 L427 A432 S433F412-F429 HydrophobicContact CE1-CD1 4.26Å; F412-F429 AromaticContact CE1-CE1 3.92Å; F412-F429 HydrophobicContact CE1-CE1 3.92Å; F412-F429 HydrophobicContact CZ-CE1 4.2Å; D425-F429 WeakPolarHBondContact O-CB 3.35Å; D425-F429 PolarHBondContact O-N 3.41Å; D426-F429 PolarHBondContact O-N 2.7Å; L427-F429 VanDerWaalsContact C-N 3.32Å; L427-F429 PolarHBondContact O-N 3.1Å; F429-A432 PolarHBondContact O-N 3.07Å; F429-S433 WeakPolarHBondContact O-CB 3.22Å; F429-S433 PolarHBondContact O-N 3.46Å; F429-S433 PolarHBondContact O-OG 2.9Å
430A96.8Very high95.7Very high0 Ų035.8 Ų35.80%022%0.223CC..Hα-helixtrans-63.3-44.8179.400000112.8F412 Y413 D426 L427 W428 S433 S434F412-A430 HydrophobicContact CD1-CB 3.69Å; F412-A430 HydrophobicContact CE1-CB 4.24Å; Y413-A430 HydrophobicContact CD2-CB 4.4Å; D426-A430 PolarHBondContact O-N 2.94Å; L427-A430 WeakPolarHBondContact O-CB 3.31Å; L427-A430 PolarHBondContact O-N 3.22Å; L427-A430 VanDerWaalsContact O-N 3.16Å; W428-A430 VanDerWaalsContact C-N 3.3Å; W428-A430 PolarHBondContact O-N 3.13Å; A430-S433 PolarHBondContact O-N 2.74Å; A430-S434 PolarHBondContact O-N 3.09Å; A430-S434 PolarHBondContact O-OG 2.84Å
431F96.8Very high95.6Very high2 Ų235.9 Ų35.91%0.00922%0.222CC..Hα-helixtrans-66.9-45.1175.5-75.1-62.5000112.3L397 L401 F406 L410 L427 W428 S433 S434 C435 V439L397-F431 HydrophobicContact CD2-CD2 3.88Å; L397-F431 HydrophobicContact CD2-CE2 3.91Å; L397-F431 HydrophobicContact CD2-CG 4.27Å; L397-F431 HydrophobicContact CD2-CZ 4.35Å; L401-F431 HydrophobicContact CD1-CD1 4.16Å; F406-F431 HydrophobicContact CD1-CE1 4.43Å; F406-F431 HydrophobicContact CD2-CD1 4.41Å; F406-F431 AromaticContact CD2-CE1 3.53Å; F406-F431 HydrophobicContact CD2-CE1 3.53Å; F406-F431 AromaticContact CD2-CZ 3.85Å; F406-F431 HydrophobicContact CD2-CZ 3.85Å; F406-F431 HydrophobicContact CE1-CZ 4.38Å; F406-F431 AromaticContact CE2-CE1 3.65Å; F406-F431 HydrophobicContact CE2-CE1 3.65Å; F406-F431 HydrophobicContact CE2-CE2 4.37Å; F406-F431 AromaticContact CE2-CZ 3.43Å; F406-F431 HydrophobicContact CE2-CZ 3.43Å; F406-F431 VanDerWaalsContact CE2-CZ 3.43Å; F406-F431 AromaticContact CG-CE1 3.95Å; F406-F431 HydrophobicContact CG-CE1 3.95Å; F406-F431 HydrophobicContact CG-CZ 4.48Å; F406-F431 HydrophobicContact CZ-CE1 4.13Å; F406-F431 AromaticContact CZ-CZ 3.71Å; F406-F431 HydrophobicContact CZ-CZ 3.71Å; F406-F431 WeakPolarHBondContact O-CE1 3.5Å; L410-F431 HydrophobicContact CD1-CZ 4.49Å; L427-F431 HydrophobicContact CD1-CD2 4.18Å; L427-F431 HydrophobicContact CD1-CE2 3.6Å; L427-F431 HydrophobicContact CD1-CZ 4.36Å; L427-F431 HydrophobicContact CD2-CE2 4.11Å; L427-F431 HydrophobicContact CG-CD2 3.94Å; L427-F431 HydrophobicContact CG-CE2 3.66Å; L427-F431 WeakPolarHBondContact O-CD2 3.49Å; L427-F431 PolarHBondContact O-N 2.94Å; W428-F431 HydrophobicContact CE3-CD2 4.14Å; W428-F431 HydrophobicContact CZ3-CD2 4.3Å; W428-F431 HydrophobicContact CZ3-CE2 4.48Å; W428-F431 PolarHBondContact O-N 3.19Å; F431-S433 PolarHBondContact O-N 2.89Å; F431-S434 PolarHBondContact O-N 2.78Å; F431-C435 PolarHBondContact O-N 3.27Å; F431-C435 PolarHBondContact O-SG 3.45Å; F431-V439 HydrophobicContact CB-CB 4.24Å; F431-V439 HydrophobicContact CB-CG1 4.08Å; F431-V439 HydrophobicContact CB-CG2 3.98Å
432A95.9Very high95.5Very high28 Ų2834.8 Ų34.823%0.23122%0.216CC..Hα-helixtrans-57.9-39.517800000112W428 F429 S434 G436 M437W428-A432 VanDerWaalsContact O-CB 3.27Å; W428-A432 WeakPolarHBondContact O-CB 3.33Å; W428-A432 PolarHBondContact O-N 3.16Å; F429-A432 PolarHBondContact O-N 3.07Å; A432-S434 PolarHBondContact O-N 2.91Å; A432-G436 WeakPolarHBondContact O-CA 3.32Å; A432-G436 PolarHBondContact O-N 3.39Å; A432-M437 VanDerWaalsContact CA-O 3.31Å; A432-M437 WeakPolarHBondContact CA-O 3.19Å; A432-M437 VanDerWaalsContact CB-O 3.27Å; A432-M437 WeakPolarHBondContact CB-O 3.31Å
433S93.4Very high95.4Very high66 Ų6634.8 Ų34.846%0.46222%0.216SC..Hα-helixtrans-63.9-25.9176-60.10000113.3F429 A430 F431F429-S433 WeakPolarHBondContact O-CB 3.22Å; F429-S433 PolarHBondContact O-N 3.46Å; F429-S433 PolarHBondContact O-OG 2.9Å; A430-S433 PolarHBondContact O-N 2.74Å; F431-S433 PolarHBondContact O-N 2.89Å
434S91Very high95.4Very high38 Ų3836.9 Ų36.927%0.26622%0.219SC..Hα-helixtrans-94.8-34.9-177-63.10000113.9G409 A430 F431 A432G409-S434 WeakPolarHBondContact CA-OG 3.17Å; G409-S434 PolarHBondContact N-OG 3.37Å; A430-S434 PolarHBondContact O-N 3.09Å; A430-S434 PolarHBondContact O-OG 2.84Å; F431-S434 PolarHBondContact O-N 2.78Å; A432-S434 PolarHBondContact O-N 2.91Å
435C92.1Very high95.3Very high24 Ų2438.4 Ų38.416%0.16223%0.229CC..Hα-helixtrans-104.3-10.9-177.967.70000114.4L401 M405 F431 M437L401-C435 HydrophobicContact CD2-CB 4.22Å; M405-C435 HydrophobicContact CB-CB 4.36Å; M405-C435 HydrophobicContact CE-CB 4.25Å; M405-C435 HydrophobicContact SD-CB 3.7Å; F431-C435 PolarHBondContact O-N 3.27Å; F431-C435 PolarHBondContact O-SG 3.45Å; C435-M437 PolarHBondContact O-N 2.86Å
436G89.2Confident95.4Very high74 Ų7434.9 Ų34.976%0.76321%0.21SC*.SBendtrans71.39.9-17800000114.6A432A432-G436 WeakPolarHBondContact O-CA 3.32Å; A432-G436 PolarHBondContact O-N 3.39Å
437M91.3Very high95.3Very high77 Ų7733 Ų3338%0.37920%0.2SC..SBendtrans-102.4149.6177-60.8176.659.800110.7Y400 L401 A432 C435 V439Y400-M437 HydrophobicContact CE1-CE 3.63Å; L401-M437 HydrophobicContact CD2-SD 4.13Å; A432-M437 VanDerWaalsContact CA-O 3.31Å; A432-M437 WeakPolarHBondContact CA-O 3.19Å; A432-M437 VanDerWaalsContact CB-O 3.27Å; A432-M437 WeakPolarHBondContact CB-O 3.31Å; C435-M437 PolarHBondContact O-N 2.86Å; M437-V439 HydrophobicContact CB-CG2 4.47Å; M437-V439 PolarHBondContact O-N 3.32Å
438D93.4Very high95.3Very high103 Ų10337.2 Ų37.255%0.55122%0.222SC*.  trans-75.477.2170.7-174-6.2000110.6G440 S441 L442D438-G440 PolarHBondContact O-N 2.91Å; D438-G440 PolarHBondContact OD1-N 2.98Å; D438-S441 PolarHBondContact O-N 2.79Å; D438-S441 PolarHBondContact O-OG 3.22Å; D438-S441 PolarHBondContact OD1-N 3.38Å; D438-S441 WeakPolarHBondContact OD2-CB 3.28Å; D438-L442 PolarHBondContact O-N 3.5Å
439V96.1Very high95.1Very high2 Ų238.6 Ų38.61%0.01223%0.23CC..Hα-helixtrans-61.7-32.5177.8177.60000111.1L397 W428 F431 M437 S441 L442 M443L397-V439 HydrophobicContact CD1-CG1 4Å; L397-V439 HydrophobicContact CD2-CG1 4.01Å; W428-V439 HydrophobicContact CD2-CG1 4.48Å; W428-V439 HydrophobicContact CE3-CG1 3.78Å; W428-V439 HydrophobicContact CZ3-CG1 4.36Å; F431-V439 HydrophobicContact CB-CB 4.24Å; F431-V439 HydrophobicContact CB-CG1 4.08Å; F431-V439 HydrophobicContact CB-CG2 3.98Å; M437-V439 HydrophobicContact CB-CG2 4.47Å; M437-V439 PolarHBondContact O-N 3.32Å; V439-S441 PolarHBondContact O-N 3.05Å; V439-L442 WeakPolarHBondContact O-CB 3.49Å; V439-L442 PolarHBondContact O-N 2.96Å; V439-L442 VanDerWaalsContact O-N 3.14Å; V439-M443 HydrophobicContact CG1-CG 3.84Å; V439-M443 WeakPolarHBondContact O-CB 3.44Å; V439-M443 WeakPolarHBondContact O-CG 3.48Å; V439-M443 PolarHBondContact O-N 2.7Å
440G95.9Very high95Very high3 Ų336.1 Ų36.13%0.03122%0.221CC..Hα-helixtrans-61.7-44.7176.700000112.3D438 L442 M443 R444D438-G440 PolarHBondContact O-N 2.91Å; D438-G440 PolarHBondContact OD1-N 2.98Å; G440-L442 PolarHBondContact O-N 2.98Å; G440-M443 PolarHBondContact O-N 3.34Å; G440-R444 VanDerWaalsContact C-NH1 3.3Å; G440-R444 WeakPolarHBondContact O-CB 3.41Å; G440-R444 VanDerWaalsContact O-CG 3.26Å; G440-R444 WeakPolarHBondContact O-CG 3.38Å; G440-R444 PolarHBondContact O-N 3.26Å
441S95.6Very high94.9Very high39 Ų3936.2 Ų36.227%0.27322%0.221SC..Hα-helixtrans-64.2-26.3175.5770000113.7D438 V439D438-S441 PolarHBondContact O-N 2.79Å; D438-S441 PolarHBondContact O-OG 3.22Å; D438-S441 PolarHBondContact OD1-N 3.38Å; D438-S441 WeakPolarHBondContact OD2-CB 3.28Å; V439-S441 PolarHBondContact O-N 3.05Å
442L96.1Very high94.9Very high7 Ų736.1 Ų36.14%0.03722%0.221CC..Hα-helixtrans-78.4-48.1177.7-177.873.7000110.4L397 Y400 D438 V439 G440 W446 P490 V511L397-L442 HydrophobicContact CD1-CD2 4.29Å; Y400-L442 HydrophobicContact CD1-CD2 4.21Å; Y400-L442 HydrophobicContact CE1-CD2 4.31Å; D438-L442 PolarHBondContact O-N 3.5Å; V439-L442 WeakPolarHBondContact O-CB 3.49Å; V439-L442 PolarHBondContact O-N 2.96Å; V439-L442 VanDerWaalsContact O-N 3.14Å; G440-L442 PolarHBondContact O-N 2.98Å; L442-W446 PolarHBondContact O-NE1 2.65Å; L442-P490 HydrophobicContact CD1-CB 3.94Å; L442-V511 HydrophobicContact CD1-CG1 3.84Å; L442-V511 HydrophobicContact CD1-CG2 4.4Å
443M97.7Very high95Very high2 Ų234.8 Ų34.81%0.0121%0.21CC..Hα-helixtrans-95.1-28-164.8-62.6-53.3-62.400115.1L393 M396 L397 W428 V439 G440 P445 W446 T447L393-M443 HydrophobicContact CB-CE 4.03Å; L393-M443 HydrophobicContact CD1-CE 4.35Å; M396-M443 HydrophobicContact CE-CE 4.18Å; M396-M443 HydrophobicContact CE-SD 4.47Å; L397-M443 HydrophobicContact CD1-CG 4.26Å; L397-M443 HydrophobicContact CD1-SD 4.16Å; L397-M443 HydrophobicContact CD2-CG 4.4Å; W428-M443 HydrophobicContact CD2-CB 4.06Å; W428-M443 HydrophobicContact CE3-CB 4.14Å; W428-M443 HydrophobicContact CE3-CG 4.25Å; W428-M443 HydrophobicContact CH2-CB 3.62Å; W428-M443 HydrophobicContact CH2-CE 4.26Å; W428-M443 HydrophobicContact CH2-CG 3.93Å; W428-M443 HydrophobicContact CZ2-CB 3.52Å; W428-M443 HydrophobicContact CZ2-CG 4.34Å; W428-M443 HydrophobicContact CZ3-CB 3.95Å; W428-M443 HydrophobicContact CZ3-CG 3.9Å; V439-M443 HydrophobicContact CG1-CG 3.84Å; V439-M443 WeakPolarHBondContact O-CB 3.44Å; V439-M443 WeakPolarHBondContact O-CG 3.48Å; V439-M443 PolarHBondContact O-N 2.7Å; G440-M443 PolarHBondContact O-N 3.34Å; M443-P445 VanDerWaalsContact C-N 3.35Å; M443-W446 HydrophobicContact CE-CB 4.48Å; M443-W446 WeakPolarHBondContact O-CA 3.46Å; M443-W446 VanDerWaalsContact O-CB 3.31Å; M443-W446 WeakPolarHBondContact O-CB 3.34Å; M443-W446 PolarHBondContact O-N 3.32Å; M443-T447 PolarHBondContact O-N 3.18Å
444R96.9Very high95.2Very high88 Ų8831.7 Ų31.733%0.33219%0.188SC..Hα-helixtrans-53.6-42.2179-76.8-179-168.2109-6.6113.9D425 G440 W446 T447 L448D425-R444 VanDerWaalsContact CG-NH2 3.25Å; D425-R444 IonicContact OD1-CZ 3.27Å; D425-R444 VanDerWaalsContact OD1-CZ 3.32Å; D425-R444 IonicContact OD1-NE 2.74Å; D425-R444 PolarHBondContact OD1-NE 3.49Å; D425-R444 IonicContact OD1-NH2 2.7Å; D425-R444 PolarHBondContact OD1-NH2 2.98Å; D425-R444 IonicContact OD2-CZ 3.16Å; D425-R444 IonicContact OD2-NE 3.88Å; D425-R444 IonicContact OD2-NH2 3.8Å; D425-R444 PolarHBondContact OD2-NH2 2.9Å; G440-R444 VanDerWaalsContact C-NH1 3.3Å; G440-R444 WeakPolarHBondContact O-CB 3.41Å; G440-R444 VanDerWaalsContact O-CG 3.26Å; G440-R444 WeakPolarHBondContact O-CG 3.38Å; G440-R444 PolarHBondContact O-N 3.26Å; R444-W446 PolarHBondContact O-N 3.31Å; R444-T447 PolarHBondContact O-N 3.04Å; R444-T447 PolarHBondContact O-OG1 2.86Å; R444-L448 HydrophobicContact CB-CD1 4.1Å; R444-L448 VanDerWaalsContact O-CB 3.31Å; R444-L448 WeakPolarHBondContact O-CB 3.19Å; R444-L448 WeakPolarHBondContact O-CG 3.45Å; R444-L448 PolarHBondContact O-N 3.24Å
445P96.7Very high95.5Very high32 Ų3229.9 Ų29.921%0.20818%0.176CC..Hα-helixtrans-61.2-26.6176-27.238.4000114M443 N449 W489 P490M443-P445 VanDerWaalsContact C-N 3.35Å; P445-N449 WeakPolarHBondContact CA-ND2 3.36Å; P445-N449 WeakPolarHBondContact O-CB 3.37Å; P445-N449 PolarHBondContact O-N 3.3Å; P445-N449 PolarHBondContact O-ND2 3.43Å; P445-W489 PolarHBondContact O-NE1 3.3Å; P445-P490 HydrophobicContact CG-CG 4.01Å
446W97.8Very high95.8Very high0 Ų029.3 Ų29.30%017%0.172CC..Hα-helixtrans-79.8-31.7178.7-63.991.4000113.2L393 M396 L442 M443 R444 F452 P453 W489 P490 V491 F545 Y546L393-W446 HydrophobicContact CD1-CB 3.6Å; L393-W446 HydrophobicContact CD2-CB 4.04Å; L393-W446 HydrophobicContact CD2-CD2 4.1Å; L393-W446 HydrophobicContact CD2-CE3 3.72Å; L393-W446 HydrophobicContact CD2-CG 4.28Å; L393-W446 HydrophobicContact CD2-CZ3 4.49Å; L393-W446 HydrophobicContact CG-CB 4.5Å; M396-W446 HydrophobicContact CE-CD2 3.81Å; M396-W446 HydrophobicContact CE-CE3 4.17Å; M396-W446 HydrophobicContact CE-CG 4.28Å; M396-W446 HydrophobicContact CE-CH2 4.25Å; M396-W446 HydrophobicContact CE-CZ2 3.9Å; M396-W446 HydrophobicContact CE-CZ3 4.38Å; M396-W446 HydrophobicContact SD-CH2 4.32Å; M396-W446 HydrophobicContact SD-CZ2 4.24Å; L442-W446 PolarHBondContact O-NE1 2.65Å; M443-W446 HydrophobicContact CE-CB 4.48Å; M443-W446 WeakPolarHBondContact O-CA 3.46Å; M443-W446 VanDerWaalsContact O-CB 3.31Å; M443-W446 WeakPolarHBondContact O-CB 3.34Å; M443-W446 PolarHBondContact O-N 3.32Å; R444-W446 PolarHBondContact O-N 3.31Å; W446-F452 HydrophobicContact CZ3-CB 4.28Å; W446-P453 HydrophobicContact CH2-CG 3.8Å; W446-P453 HydrophobicContact CZ3-CG 4.43Å; W446-W489 HydrophobicContact CD2-CB 4.45Å; W446-W489 AromaticContact CD2-CD1 3.51Å; W446-W489 HydrophobicContact CD2-CG 4.22Å; W446-W489 AromaticContact CE2-CD1 3.8Å; W446-W489 AromaticContact CE3-CD1 3.7Å; W446-W489 HydrophobicContact CE3-CG 4.34Å; W446-W489 AromaticContact CG-CD1 3.85Å; W446-W489 HydrophobicContact CH2-CB 4.19Å; W446-W489 HydrophobicContact CH2-CG 4.33Å; W446-W489 HydrophobicContact CZ2-CB 3.72Å; W446-W489 HydrophobicContact CZ2-CG 4.19Å; W446-W489 HydrophobicContact CZ3-CG 4.39Å; W446-P490 PolarHBondContact NE1-O 3.11Å; W446-V491 HydrophobicContact CZ2-CB 4.48Å; W446-V491 HydrophobicContact CZ2-CG1 4.42Å; W446-V491 HydrophobicContact CZ2-CG2 4.23Å; W446-F545 HydrophobicContact CE3-CD1 4.38Å; W446-F545 HydrophobicContact CZ3-CB 4.18Å; W446-F545 HydrophobicContact CZ3-CD1 4.09Å; W446-F545 VanDerWaalsContact CZ3-O 3.25Å; W446-F545 WeakPolarHBondContact CZ3-O 3.46Å; W446-Y546 HydrophobicContact CH2-CD1 4.34Å
447T97.3Very high96.2Very high0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-88.2-34.6179.755.90000113.1W321 P367 I368 E369 L393 W428 M443 R444W321-T447 HydrophobicContact CH2-CG2 4.43Å; W321-T447 HydrophobicContact CZ2-CG2 4.04Å; P367-T447 VanDerWaalsContact CB-O 3.31Å; P367-T447 WeakPolarHBondContact CB-O 3.41Å; I368-T447 HydrophobicContact CD1-CG2 4.44Å; I368-T447 PolarHBondContact N-O 3.48Å; E369-T447 PolarHBondContact N-O 2.92Å; E369-T447 VanDerWaalsContact N-O 3.13Å; E369-T447 WeakPolarHBondContact OE1-CB 3.2Å; E369-T447 PolarHBondContact OE1-OG1 3.13Å; L393-T447 HydrophobicContact CD1-CG2 4.28Å; W428-T447 HydrophobicContact CZ2-CG2 3.78Å; M443-T447 PolarHBondContact O-N 3.18Å; R444-T447 PolarHBondContact O-N 3.04Å; R444-T447 PolarHBondContact O-OG1 2.86Å
448L96.3Very high96.5Very high90 Ų9025.4 Ų25.447%0.47114%0.135SC..Hα-helixtrans-90.2-11.2-176-62.4173.5000114.7E369 R444E369-L448 HydrophobicContact CB-CD2 4.16Å; E369-L448 WeakPolarHBondContact OE1-CD2 3.24Å; R444-L448 HydrophobicContact CB-CD1 4.1Å; R444-L448 VanDerWaalsContact O-CB 3.31Å; R444-L448 WeakPolarHBondContact O-CB 3.19Å; R444-L448 WeakPolarHBondContact O-CG 3.45Å; R444-L448 PolarHBondContact O-N 3.24Å
449N95Very high96.5Very high36 Ų3621.6 Ų21.619%0.19311%0.114CC..SBendtrans-117.4145.6178.9-58.7-78.2000112.7K389 P445 W489K389-N449 PolarHBondContact NZ-O 3.12Å; P445-N449 WeakPolarHBondContact CA-ND2 3.36Å; P445-N449 WeakPolarHBondContact O-CB 3.37Å; P445-N449 PolarHBondContact O-N 3.3Å; P445-N449 PolarHBondContact O-ND2 3.43Å; N449-W489 HydrophobicContact CB-CZ2 4.34Å
450I94.1Very high96.4Very high48 Ų4824.7 Ų24.725%0.24613%0.133CC..SBendtrans-72.5142171.1-51.9171.3000109.8S365 P367 Q475S365-I450 WeakPolarHBondContact O-CD1 3.19Å; P367-I450 HydrophobicContact CG-CG1 3.81Å; I450-Q475 PolarHBondContact O-NE2 2.98Å
451G95Very high96.3Very high1 Ų126.1 Ų26.11%0.0114%0.142CC..SBendtrans82.4-169.817500000114D360 K389 W489D360-G451 VanDerWaalsContact CG-CA 3.42Å; D360-G451 WeakPolarHBondContact O-CA 3.42Å; D360-G451 WeakPolarHBondContact OD1-CA 3.18Å; D360-G451 PolarHBondContact OD1-N 3.35Å; D360-G451 VanDerWaalsContact OD2-C 3.25Å; D360-G451 VanDerWaalsContact OD2-CA 3.24Å; D360-G451 WeakPolarHBondContact OD2-CA 3.17Å; D360-G451 PolarHBondContact OD2-N 3.38Å; K389-G451 PolarHBondContact NZ-O 3.48Å; G451-W489 WeakPolarHBondContact O-CZ2 3.38Å
452F97.2Very high96.3Very high0 Ų024.8 Ų24.80%013%0.133CC..  trans-156.7165.3-173.459.7-88.1000110.6L357 D360 A361 W446 Y476 F545 H547L357-F452 HydrophobicContact CB-CE1 4.29Å; L357-F452 HydrophobicContact CB-CZ 3.95Å; L357-F452 HydrophobicContact CD2-CD1 4.03Å; L357-F452 HydrophobicContact CD2-CD2 3.58Å; L357-F452 HydrophobicContact CD2-CE1 3.86Å; L357-F452 HydrophobicContact CD2-CE2 3.39Å; L357-F452 HydrophobicContact CD2-CG 3.9Å; L357-F452 HydrophobicContact CD2-CZ 3.52Å; L357-F452 HydrophobicContact CG-CZ 4.34Å; L357-F452 WeakPolarHBondContact O-CE1 3.45Å; L357-F452 WeakPolarHBondContact O-CZ 3.3Å; D360-F452 HydrophobicContact CB-CD1 3.95Å; D360-F452 HydrophobicContact CB-CE1 4.05Å; A361-F452 HydrophobicContact CB-CE1 4.21Å; A361-F452 HydrophobicContact CB-CZ 4.29Å; W446-F452 HydrophobicContact CZ3-CB 4.28Å; F452-Y476 HydrophobicContact CE1-CD1 4.19Å; F452-Y476 AromaticContact CE2-CD1 3.58Å; F452-Y476 HydrophobicContact CE2-CD1 3.58Å; F452-Y476 HydrophobicContact CE2-CE1 4.39Å; F452-Y476 AromaticContact CE2-CG 3.83Å; F452-Y476 HydrophobicContact CE2-CG 3.83Å; F452-Y476 AromaticContact CZ-CD1 3.32Å; F452-Y476 HydrophobicContact CZ-CD1 3.32Å; F452-Y476 AromaticContact CZ-CE1 3.92Å; F452-Y476 HydrophobicContact CZ-CE1 3.92Å; F452-Y476 HydrophobicContact CZ-CG 4.06Å; F452-Y476 PolarHBondContact O-N 2.78Å; F452-F545 HydrophobicContact CB-CD1 3.72Å; F452-F545 HydrophobicContact CB-CE1 3.71Å; F452-F545 AromaticContact CD1-CE1 3.79Å; F452-F545 HydrophobicContact CD1-CE1 3.79Å; F452-F545 HydrophobicContact CD1-CZ 4.33Å; F452-F545 HydrophobicContact CG-CD1 4.22Å; F452-F545 AromaticContact CG-CE1 3.89Å; F452-F545 HydrophobicContact CG-CE1 3.89Å; F452-H547 AromaticContact CE2-CD2 3.48Å; F452-H547 VanDerWaalsContact CE2-CD2 3.48Å; F452-H547 WeakPolarHBondContact CE2-CD2 3.31Å; F452-H547 AromaticContact CE2-NE2 3.77Å; F452-H547 AromaticContact CZ-CD2 3.95Å; F452-H547 AromaticContact CZ-NE2 3.81Å
453P97.1Very high96.1Very high1 Ų127.4 Ų27.41%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-86.2156.2-178.431.2-30.2000113.5W446 Q473 D474 W489 V491 Y546 H547W446-P453 HydrophobicContact CH2-CG 3.8Å; W446-P453 HydrophobicContact CZ3-CG 4.43Å; P453-Q473 HydrophobicContact CB-CB 4.15Å; P453-D474 CarbonylContact C-O 3.47Å; P453-D474 WeakPolarHBondContact CA-O 3.31Å; P453-W489 HydrophobicContact CB-CE3 3.98Å; P453-W489 HydrophobicContact CB-CZ3 4.48Å; P453-W489 HydrophobicContact CG-CB 4.33Å; P453-W489 HydrophobicContact CG-CD2 4.44Å; P453-W489 HydrophobicContact CG-CE3 4.14Å; P453-V491 HydrophobicContact CB-CG2 4.44Å; P453-V491 HydrophobicContact CG-CG2 3.72Å; P453-Y546 WeakPolarHBondContact O-CA 3.42Å; P453-Y546 WeakPolarHBondContact O-CB 3.39Å; P453-H547 PolarHBondContact O-N 2.86Å
454V97.2Very high95.6Very high0 Ų033.7 Ų33.70%018%0.181CC..EExtended strand (participates in β ladder)trans-99121.8154.355.20000108.5Q473 D474 Y476 H547 R549 L582 Y587V454-Q473 WeakPolarHBondContact O-CA 3.34Å; V454-D474 HydrophobicContact CG1-CB 4.12Å; V454-D474 WeakPolarHBondContact CG1-O 3Å; V454-D474 PolarHBondContact N-O 2.81Å; V454-D474 PolarHBondContact O-N 3.19Å; V454-Y476 HydrophobicContact CB-CD2 4.18Å; V454-H547 CarbonylContact C-O 3.48Å; V454-H547 WeakPolarHBondContact CA-O 3.35Å; V454-H547 HydrophobicContact CB-CB 4.43Å; V454-H547 HydrophobicContact CG2-CB 4.19Å; V454-R549 HydrophobicContact CG2-CB 4.02Å; V454-L582 HydrophobicContact CG2-CD2 3.87Å; V454-Y587 HydrophobicContact CG1-CE1 4.18Å
455L98.1Very high95.3Very high1 Ų134.3 Ų34.31%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-88.1122.7176.6176.567.3000109.4V457 L471 S472 I493 L512 A538 Y546 H547 V548 R549L455-V457 HydrophobicContact CD2-CG2 4.05Å; L455-V457 HydrophobicContact CG-CG2 4.02Å; L455-L471 HydrophobicContact CD1-CB 4.5Å; L455-S472 CarbonylContact C-O 3.52Å; L455-S472 WeakPolarHBondContact CA-O 3.38Å; L455-I493 HydrophobicContact CD1-CD1 3.64Å; L455-I493 HydrophobicContact CD2-CD1 3.9Å; L455-I493 HydrophobicContact CD2-CG1 4.02Å; L455-I493 HydrophobicContact CD2-CG2 4.04Å; L455-I493 HydrophobicContact CG-CD1 4.45Å; L455-L512 HydrophobicContact CD1-CD2 3.78Å; L455-A538 HydrophobicContact CD2-CB 3.94Å; L455-Y546 HydrophobicContact CB-CD2 4.13Å; L455-Y546 HydrophobicContact CD2-CD2 4.4Å; L455-Y546 HydrophobicContact CD2-CE2 3.95Å; L455-H547 PolarHBondContact N-O 2.85Å; L455-V548 CarbonylContact O-C 3.52Å; L455-V548 WeakPolarHBondContact O-CA 3.32Å; L455-R549 PolarHBondContact O-N 2.88Å
456S98Very high95.3Very high12 Ų1233.4 Ų33.48%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-97133.3168.1-53.80000110.4L471 S472 R549S456-L471 WeakPolarHBondContact O-CA 3.41Å; S456-S472 WeakPolarHBondContact CB-OG 3.44Å; S456-S472 PolarHBondContact N-O 3.27Å; S456-S472 PolarHBondContact O-N 2.59Å; S456-S472 VanDerWaalsContact O-N 3.09Å; S456-R549 WeakPolarHBondContact CA-O 3.37Å; S456-R549 PolarHBondContact OG-NE 2.87Å; S456-R549 PolarHBondContact OG-NH2 2.97Å
457V97.7Very high95.1Very high5 Ų533.4 Ų33.43%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-121119.2178.5-1760000108.9L455 V469 L471 L495 I536 A538 V548 R549 Y550L455-V457 HydrophobicContact CD2-CG2 4.05Å; L455-V457 HydrophobicContact CG-CG2 4.02Å; V457-V469 HydrophobicContact CG1-CG1 3.86Å; V457-L471 HydrophobicContact CB-CD2 4.44Å; V457-L471 HydrophobicContact CG1-CD2 4.2Å; V457-L471 HydrophobicContact CG2-CD2 4Å; V457-L495 HydrophobicContact CG2-CD2 4.43Å; V457-I536 HydrophobicContact CG1-CB 4.49Å; V457-I536 HydrophobicContact CG1-CG2 3.9Å; V457-A538 HydrophobicContact CG2-CB 4.05Å; V457-V548 HydrophobicContact CG2-CG1 4.01Å; V457-R549 PolarHBondContact N-O 2.8Å; V457-Y550 HydrophobicContact CB-CD1 4.09Å; V457-Y550 HydrophobicContact CB-CE1 4.01Å; V457-Y550 HydrophobicContact CG1-CE1 4.47Å; V457-Y550 HydrophobicContact CG2-CE1 4.33Å
458L96.5Very high95.1Very high64 Ų6435.6 Ų35.634%0.33520%0.199SC..EExtended strand (participates in β ladder)trans-129.3120-179.8175.766.1000110.1V460 V469 Q470 D551L458-V460 HydrophobicContact CD2-CG2 4.48Å; L458-V460 HydrophobicContact CG-CG2 4.39Å; L458-V460 PolarHBondContact O-N 3.24Å; L458-V469 CarbonylContact O-C 3.47Å; L458-V469 WeakPolarHBondContact O-CA 3.28Å; L458-Q470 HydrophobicContact CB-CB 4.28Å; L458-Q470 PolarHBondContact N-O 3.12Å; L458-Q470 PolarHBondContact O-N 2.82Å; L458-D551 WeakPolarHBondContact CD1-OD2 3.34Å
459L94.9Very high95.1Very high23 Ų2331.3 Ų31.312%0.1218%0.176CC..EExtended strand (participates in β ladder)trans-77.4109.8169.9176.954.4000108.8S461 V462 L467 V469 P531 I536L459-S461 WeakPolarHBondContact CD1-O 3.47Å; L459-V462 HydrophobicContact CD1-CG2 4.4Å; L459-V462 HydrophobicContact CD2-CG2 4.31Å; L459-L467 HydrophobicContact CD1-CB 3.95Å; L459-L467 HydrophobicContact CD1-CD2 4.49Å; L459-V469 HydrophobicContact CD1-CG2 4.27Å; L459-P531 HydrophobicContact CD2-CB 3.83Å; L459-P531 HydrophobicContact CG-CB 4.2Å; L459-I536 HydrophobicContact CB-CD1 4.05Å; L459-I536 HydrophobicContact CD1-CD1 4.09Å; L459-I536 HydrophobicContact CD2-CD1 4.36Å; L459-I536 HydrophobicContact CG-CD1 4.4Å
460V94.4Very high95.3Very high66 Ų6633.1 Ų33.140%0.418%0.184SC..EExtended strand (participates in β ladder)trans-84.2-50.3-175.5179.50000110.8L458 E468 Q470 L518L458-V460 HydrophobicContact CD2-CG2 4.48Å; L458-V460 HydrophobicContact CG-CG2 4.39Å; L458-V460 PolarHBondContact O-N 3.24Å; V460-E468 HydrophobicContact CB-CG 4.4Å; V460-E468 WeakPolarHBondContact CG1-OE2 3.43Å; V460-E468 PolarHBondContact N-O 3.18Å; V460-Q470 HydrophobicContact CG2-CB 3.72Å; V460-L518 HydrophobicContact CG2-CD1 4.07Å
461S93.7Very high95.5Very high33 Ų3330.8 Ų30.823%0.23117%0.172CC..EExtended strand (participates in β ladder)trans-153.7160.5-178.872.50000112.1L459 E468L459-S461 WeakPolarHBondContact CD1-O 3.47Å; S461-E468 PolarHBondContact N-O 3.35Å; S461-E468 PolarHBondContact O-N 3.38Å; S461-E468 VanDerWaalsContact OG-CB 3.31Å; S461-E468 WeakPolarHBondContact OG-CB 3.14Å; S461-E468 PolarHBondContact OG-OE2 3.04Å
462V94.8Very high95.6Very high11 Ų1132 Ų327%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-116.7113.8174.3-177.70000108L459 L467 I526 T528 P531 Y534L459-V462 HydrophobicContact CD1-CG2 4.4Å; L459-V462 HydrophobicContact CD2-CG2 4.31Å; V462-L467 HydrophobicContact CB-CD2 4.32Å; V462-L467 HydrophobicContact CG1-CD2 3.85Å; V462-L467 HydrophobicContact CG2-CD2 3.91Å; V462-I526 HydrophobicContact CG1-CD1 4.13Å; V462-I526 HydrophobicContact CG1-CG2 4.02Å; V462-T528 WeakPolarHBondContact CG1-O 3.34Å; V462-P531 HydrophobicContact CG2-CB 4.3Å; V462-P531 HydrophobicContact CG2-CG 4.18Å; V462-Y534 HydrophobicContact CB-CE2 4.36Å; V462-Y534 HydrophobicContact CG1-CD2 4.36Å; V462-Y534 HydrophobicContact CG1-CE2 3.67Å; V462-Y534 HydrophobicContact CG2-CD2 3.8Å; V462-Y534 HydrophobicContact CG2-CE2 3.89Å
463N91.6Very high95.6Very high63 Ų6332 Ų3234%0.33718%0.18SC..  trans-91.3168.6174-64.7-35000109.8T465 S466 I526N463-T465 PolarHBondContact O-N 3.44Å; N463-S466 PolarHBondContact N-O 3.03Å; N463-S466 PolarHBondContact ND2-OG 3.09Å; N463-I526 WeakPolarHBondContact O-CD1 3.49Å; N463-I526 WeakPolarHBondContact O-CG2 3.35Å
464N87.1Confident95.5Very high134 Ų13435.7 Ų35.772%0.71720%0.2SC*.SBendtrans-61.2-17.8-180-67.4-20000114
465T91.6Very high95.3Very high101 Ų10137.1 Ų37.162%0.6221%0.206SC*.SBendtrans-135.1-5-174.756.60000114.4N463 L523N463-T465 PolarHBondContact O-N 3.44Å; T465-L523 PolarHBondContact O-N 3.32Å
466S95.2Very high95.2Very high12 Ų1237.4 Ų37.48%0.08421%0.207CC..EExtended strand (participates in β ladder)trans-147.4155.5-178.8630000112.9N463 D520 I521N463-S466 PolarHBondContact N-O 3.03Å; N463-S466 PolarHBondContact ND2-OG 3.09Å; S466-D520 PolarHBondContact OG-OD1 3.22Å; S466-I521 CarbonylContact C-O 3.6Å; S466-I521 WeakPolarHBondContact CA-O 3.25Å; S466-I521 WeakPolarHBondContact CB-O 3.16Å
467L95.5Very high94.7Very high1 Ų138.7 Ų38.71%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-94.7126.1160.2-52.9-175.8000108.2L459 V462 V469 C497 I521 L523 I526 Y534 I536L459-L467 HydrophobicContact CD1-CB 3.95Å; L459-L467 HydrophobicContact CD1-CD2 4.49Å; V462-L467 HydrophobicContact CB-CD2 4.32Å; V462-L467 HydrophobicContact CG1-CD2 3.85Å; V462-L467 HydrophobicContact CG2-CD2 3.91Å; L467-V469 HydrophobicContact CB-CG2 4.06Å; L467-C497 HydrophobicContact CD1-CB 4.2Å; L467-I521 HydrophobicContact CB-CB 4.34Å; L467-I521 PolarHBondContact N-O 2.96Å; L467-I521 PolarHBondContact O-N 2.93Å; L467-L523 HydrophobicContact CD1-CD1 3.48Å; L467-L523 VanDerWaalsContact CD1-CD1 3.48Å; L467-L523 HydrophobicContact CD1-CG 4.42Å; L467-L523 HydrophobicContact CD2-CD1 3.9Å; L467-L523 HydrophobicContact CG-CD1 3.43Å; L467-L523 VanDerWaalsContact CG-CD1 3.43Å; L467-L523 HydrophobicContact CG-CG 4.12Å; L467-I526 HydrophobicContact CD2-CD1 4.16Å; L467-Y534 HydrophobicContact CD2-CD1 4.11Å; L467-Y534 HydrophobicContact CD2-CD2 4.33Å; L467-Y534 HydrophobicContact CD2-CE1 4.37Å; L467-Y534 HydrophobicContact CD2-CG 4.09Å; L467-I536 HydrophobicContact CD1-CD1 4.02Å; L467-I536 HydrophobicContact CD1-CG1 4.27Å
468E96.1Very high94.3Very high45 Ų4539.5 Ų39.521%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-88.9109.7172.3-170.9-179.2-115.100108.4V460 S461 L518V460-E468 HydrophobicContact CB-CG 4.4Å; V460-E468 WeakPolarHBondContact CG1-OE2 3.43Å; V460-E468 PolarHBondContact N-O 3.18Å; S461-E468 PolarHBondContact N-O 3.35Å; S461-E468 PolarHBondContact O-N 3.38Å; S461-E468 VanDerWaalsContact OG-CB 3.31Å; S461-E468 WeakPolarHBondContact OG-CB 3.14Å; S461-E468 PolarHBondContact OG-OE2 3.04Å; E468-L518 VanDerWaalsContact CD-CD2 3.49Å; E468-L518 HydrophobicContact CG-CD1 4.13Å; E468-L518 HydrophobicContact CG-CD2 3.53Å; E468-L518 HydrophobicContact CG-CG 3.73Å; E468-L518 VanDerWaalsContact OE1-CD2 3.28Å; E468-L518 WeakPolarHBondContact OE1-CD2 3.29Å
469V97Very high93.3Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-116.5125.2-174.2-1760000109.1V457 L458 L459 L467 L471 V519 I521 I536V457-V469 HydrophobicContact CG1-CG1 3.86Å; L458-V469 CarbonylContact O-C 3.47Å; L458-V469 WeakPolarHBondContact O-CA 3.28Å; L459-V469 HydrophobicContact CD1-CG2 4.27Å; L467-V469 HydrophobicContact CB-CG2 4.06Å; V469-L471 HydrophobicContact CG1-CD2 3.92Å; V469-L471 HydrophobicContact CG1-CG 4.39Å; V469-V519 HydrophobicContact CB-CG2 4.04Å; V469-V519 PolarHBondContact N-O 3.46Å; V469-V519 WeakPolarHBondContact O-CG2 3.47Å; V469-V519 PolarHBondContact O-N 3.06Å; V469-I521 HydrophobicContact CB-CD1 4.21Å; V469-I521 HydrophobicContact CG2-CD1 3.59Å; V469-I521 HydrophobicContact CG2-CG1 4.12Å; V469-I536 HydrophobicContact CG1-CD1 4.39Å; V469-I536 HydrophobicContact CG2-CD1 3.45Å; V469-I536 VanDerWaalsContact CG2-CD1 3.45Å
470Q97.7Very high91.5Very high74 Ų7443.7 Ų43.735%0.34625%0.246SC..EExtended strand (participates in β ladder)trans-84.9123167.7-174.7172.526.100109.2L458 V460 S516 L518L458-Q470 HydrophobicContact CB-CB 4.28Å; L458-Q470 PolarHBondContact N-O 3.12Å; L458-Q470 PolarHBondContact O-N 2.82Å; V460-Q470 HydrophobicContact CG2-CB 3.72Å; Q470-S516 PolarHBondContact NE2-OG 2.86Å; Q470-S516 VanDerWaalsContact NE2-OG 3.16Å; Q470-L518 HydrophobicContact CB-CD1 4.11Å
471L98.3Very high89.6Confident0 Ų048.9 Ų48.90%026%0.263CS..EExtended strand (participates in β ladder)trans-106.5136.8169.8-58.6176.8000108.2L455 S456 V457 V469 I493 L495 L512 S516 E517 V519L455-L471 HydrophobicContact CD1-CB 4.5Å; S456-L471 WeakPolarHBondContact O-CA 3.41Å; V457-L471 HydrophobicContact CB-CD2 4.44Å; V457-L471 HydrophobicContact CG1-CD2 4.2Å; V457-L471 HydrophobicContact CG2-CD2 4Å; V469-L471 HydrophobicContact CG1-CD2 3.92Å; V469-L471 HydrophobicContact CG1-CG 4.39Å; L471-I493 HydrophobicContact CD1-CD1 4.05Å; L471-L495 HydrophobicContact CD1-CD1 4.3Å; L471-L495 HydrophobicContact CD2-CD1 4.08Å; L471-L495 HydrophobicContact CD2-CD2 4.5Å; L471-L512 HydrophobicContact CB-CD1 4.3Å; L471-L512 HydrophobicContact CB-CD2 4.25Å; L471-S516 CarbonylContact O-C 3.41Å; L471-S516 WeakPolarHBondContact O-CA 3.26Å; L471-S516 PolarHBondContact O-OG 2.92Å; L471-S516 VanDerWaalsContact O-OG 3.13Å; L471-E517 PolarHBondContact N-O 3.43Å; L471-E517 PolarHBondContact O-N 3.27Å; L471-V519 HydrophobicContact CD1-CG1 4.27Å; L471-V519 HydrophobicContact CD1-CG2 3.78Å; L471-V519 HydrophobicContact CG-CG2 4.04Å
472S98Very high87.7Confident25 Ų2549.6 Ų49.618%0.17527%0.268CS..EExtended strand (participates in β ladder)trans-142.4150.417073.80000111.4L455 S456 T515L455-S472 CarbonylContact C-O 3.52Å; L455-S472 WeakPolarHBondContact CA-O 3.38Å; S456-S472 WeakPolarHBondContact CB-OG 3.44Å; S456-S472 PolarHBondContact N-O 3.27Å; S456-S472 PolarHBondContact O-N 2.59Å; S456-S472 VanDerWaalsContact O-N 3.09Å; S472-T515 CarbonylContact C-O 3.56Å; S472-T515 WeakPolarHBondContact CA-O 3.29Å; S472-T515 WeakPolarHBondContact CB-O 3.45Å
473Q97Very high85.7Confident1 Ų155.8 Ų55.81%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-124.1142174.665.8175-65.800110.7P453 V454 L488 W489 L512 T514 T515P453-Q473 HydrophobicContact CB-CB 4.15Å; V454-Q473 WeakPolarHBondContact O-CA 3.34Å; Q473-L488 HydrophobicContact CG-CD2 3.86Å; Q473-W489 PolarHBondContact NE2-O 3.48Å; Q473-W489 PolarHBondContact OE1-O 3.49Å; Q473-W489 VanDerWaalsContact OE1-O 3.14Å; Q473-L512 HydrophobicContact CB-CD2 3.9Å; Q473-L512 HydrophobicContact CG-CD2 4.07Å; Q473-L512 PolarHBondContact NE2-O 3.05Å; Q473-T514 PolarHBondContact NE2-O 3.49Å; Q473-T514 VanDerWaalsContact NE2-O 3.09Å; Q473-T515 PolarHBondContact N-O 2.91Å
474D94.3Very high84.3Confident79 Ų7961.6 Ų61.642%0.42232%0.323SS..EExtended strand (participates in β ladder)trans-132154.8166.5-71.7-50.4000108.5P453 V454 Y476P453-D474 CarbonylContact C-O 3.47Å; P453-D474 WeakPolarHBondContact CA-O 3.31Å; V454-D474 HydrophobicContact CG1-CB 4.12Å; V454-D474 WeakPolarHBondContact CG1-O 3Å; V454-D474 PolarHBondContact N-O 2.81Å; V454-D474 PolarHBondContact O-N 3.19Å; D474-Y476 PolarHBondContact O-N 2.46Å
475Q94.2Very high83.4Confident30 Ų3062.4 Ų62.414%0.1433%0.327CS..EExtended strand (participates in β ladder)trans-67.1122.7172.2-176.8171.32200110.1I450 K477 W489I450-Q475 PolarHBondContact O-NE2 2.98Å; Q475-K477 HydrophobicContact CG-CG 4.26Å; Q475-W489 HydrophobicContact CB-CH2 4.17Å; Q475-W489 HydrophobicContact CB-CZ3 3.92Å; Q475-W489 HydrophobicContact CG-CH2 3.69Å; Q475-W489 HydrophobicContact CG-CZ3 3.94Å
476Y95Very high82.7Confident6 Ų661.2 Ų61.22%0.02433%0.327CS..  trans-72.9130.4175.4-178.7-96.7000110.5A361 F452 V454 D474 H547 A581 L582 A585 Y587A361-Y476 HydrophobicContact CB-CD1 3.78Å; A361-Y476 HydrophobicContact CB-CE1 3.54Å; F452-Y476 HydrophobicContact CE1-CD1 4.19Å; F452-Y476 AromaticContact CE2-CD1 3.58Å; F452-Y476 HydrophobicContact CE2-CD1 3.58Å; F452-Y476 HydrophobicContact CE2-CE1 4.39Å; F452-Y476 AromaticContact CE2-CG 3.83Å; F452-Y476 HydrophobicContact CE2-CG 3.83Å; F452-Y476 AromaticContact CZ-CD1 3.32Å; F452-Y476 HydrophobicContact CZ-CD1 3.32Å; F452-Y476 AromaticContact CZ-CE1 3.92Å; F452-Y476 HydrophobicContact CZ-CE1 3.92Å; F452-Y476 HydrophobicContact CZ-CG 4.06Å; F452-Y476 PolarHBondContact O-N 2.78Å; V454-Y476 HydrophobicContact CB-CD2 4.18Å; D474-Y476 PolarHBondContact O-N 2.46Å; Y476-H547 AromaticContact CD1-CD2 3.8Å; Y476-H547 AromaticContact CD2-CD2 3.66Å; Y476-H547 AromaticContact CE1-CD2 3.71Å; Y476-H547 AromaticContact CE1-NE2 3.75Å; Y476-H547 AromaticContact CE2-CD2 3.59Å; Y476-H547 AromaticContact CG-CD2 3.76Å; Y476-H547 AromaticContact CZ-CD2 3.61Å; Y476-H547 AromaticContact CZ-NE2 3.8Å; Y476-A581 VanDerWaalsContact OH-C 3.23Å; Y476-A581 WeakPolarHBondContact OH-CB 3.41Å; Y476-A581 PolarHBondContact OH-O 3.34Å; Y476-L582 HydrophobicContact CE2-CD2 4.4Å; Y476-A585 HydrophobicContact CE2-CB 3.63Å; Y476-Y587 HydrophobicContact CD2-CD2 4.29Å; Y476-Y587 AromaticContact CD2-CE2 3.71Å; Y476-Y587 HydrophobicContact CD2-CE2 3.71Å; Y476-Y587 HydrophobicContact CE2-CD2 4.07Å; Y476-Y587 AromaticContact CE2-CE2 3.85Å; Y476-Y587 HydrophobicContact CE2-CE2 3.85Å
477K89.2Confident82.5Confident39 Ų3965.7 Ų65.717%0.1735%0.345CS..  trans-145.4147176.7-63.6-173.3-176.3175.50109.8Q475 Q479 C482Q475-K477 HydrophobicContact CG-CG 4.26Å; K477-Q479 VanDerWaalsContact C-N 3.34Å; K477-C482 HydrophobicContact CD-CB 4.37Å
478L89.4Confident82.4Confident22 Ų2269.2 Ų69.212%0.11536%0.364CS..SBendtrans-76.4-20.2174.2-75.8166.3000113.4A361 L362 K584 A585 I868A361-L478 HydrophobicContact CB-CD1 3.98Å; A361-L478 HydrophobicContact CB-CG 4.02Å; L362-L478 HydrophobicContact CD2-CD1 4.06Å; L478-K584 HydrophobicContact CD2-CB 4.36Å; L478-K584 HydrophobicContact CD2-CD 3.93Å; L478-K584 HydrophobicContact CD2-CG 3.9Å; L478-A585 HydrophobicContact CD2-CB 4.43Å; L478-I868 HydrophobicContact CB-CD1 3.66Å; L478-I868 HydrophobicContact CB-CG1 4.14Å; L478-I868 HydrophobicContact CB-CG2 4.17Å; L478-I868 HydrophobicContact CD1-CD1 3.94Å; L478-I868 HydrophobicContact CD1-CG2 4.49Å; L478-I868 HydrophobicContact CG-CD1 4.45Å
479Q73.8Confident82.4Confident57 Ų5767.1 Ų67.127%0.26635%0.354SS..  trans-134.6122.5177.4-153.8-179.935.100110.9K477 K481 T871K477-Q479 VanDerWaalsContact C-N 3.34Å; Q479-K481 VanDerWaalsContact C-N 3.3Å; Q479-K481 PolarHBondContact O-N 3.48Å; Q479-T871 PolarHBondContact NE2-OG1 3.36Å
480S56.7Low82.5Confident119 Ų11967.8 Ų67.883%0.83236%0.358SS*.THydrogen-bonded Turntrans-75.8-10.9-172.1700000115.2C482S480-C482 VanDerWaalsContact C-N 3.26Å; S480-C482 PolarHBondContact O-N 3.11Å
481K55.6Low82.5Confident174 Ų17464.3 Ų64.376%0.75734%0.342SS*.THydrogen-bonded Turntrans-79.52.2-171.3-70.4-174.4179177.40115Q479 T483Q479-K481 VanDerWaalsContact C-N 3.3Å; Q479-K481 PolarHBondContact O-N 3.48Å; K481-T483 PolarHBondContact O-N 3.07Å
482C52.9Low82.4Confident49 Ų4964.6 Ų64.633%0.33134%0.344SS..  trans-75.4119.4-178.2-156.90000110.5K477 S480 R484K477-C482 HydrophobicContact CD-CB 4.37Å; S480-C482 VanDerWaalsContact C-N 3.26Å; S480-C482 PolarHBondContact O-N 3.11Å; C482-R484 VanDerWaalsContact C-N 3.34Å; C482-R484 PolarHBondContact O-N 3.03Å
483T52.7Low82.3Confident140 Ų14063.4 Ų63.486%0.85934%0.336SS*.  trans-82.51.6-169.550.40000115.3K481K481-T483 PolarHBondContact O-N 3.07Å
484R62.4Low82.1Confident186 Ų18664.6 Ų64.670%0.70234%0.344SS*.SBendtrans-74.5140.8177.5-68.2-175-174.2175.43110.7C482 A486C482-R484 VanDerWaalsContact C-N 3.34Å; C482-R484 PolarHBondContact O-N 3.03Å; R484-A486 PolarHBondContact O-N 2.96Å
485D69.4Low82.2Confident150 Ų15060.8 Ų60.880%0.80232%0.324SS*.PPolyproline II helixtrans-52.4127.8175.9-67-33000111K487D485-K487 PolarHBondContact O-N 3.49Å
486A77.4Confident82.2Confident76 Ų7660.2 Ų60.263%0.62832%0.322SS*.PPolyproline II helixtrans-62134.1179.600000110.5R484R484-A486 PolarHBondContact O-N 2.96Å
487K90Very high82.1Confident106 Ų10659.9 Ų59.946%0.46132%0.321SS..PPolyproline II helixtrans-84.8153.1174.5-61.7-63.4-173.2175.30110.3D485 W489D485-K487 PolarHBondContact O-N 3.49Å; K487-W489 HydrophobicContact CB-CH2 3.79Å; K487-W489 HydrophobicContact CB-CZ2 4.14Å; K487-W489 HydrophobicContact CB-CZ3 4.1Å; K487-W489 WeakPolarHBondContact O-CZ3 3.32Å
488L93.4Very high82.3Confident76 Ų7658.9 Ų58.940%0.39832%0.319SS..  trans-114.5145.5172.3-66.8175.1000109.7Q473 T515Q473-L488 HydrophobicContact CG-CD2 3.86Å; L488-T515 HydrophobicContact CD1-CG2 3.98Å; L488-T515 HydrophobicContact CD2-CG2 3.76Å; L488-T515 HydrophobicContact CG-CG2 4.43Å
489W97Very high82.5Confident1 Ų158.3 Ų58.30%0.00432%0.316CS..  trans-116142.2174.5-68.7-95.6000110P445 W446 N449 G451 P453 Q473 Q475 K487 V491P445-W489 PolarHBondContact O-NE1 3.3Å; W446-W489 HydrophobicContact CD2-CB 4.45Å; W446-W489 AromaticContact CD2-CD1 3.51Å; W446-W489 HydrophobicContact CD2-CG 4.22Å; W446-W489 AromaticContact CE2-CD1 3.8Å; W446-W489 AromaticContact CE3-CD1 3.7Å; W446-W489 HydrophobicContact CE3-CG 4.34Å; W446-W489 AromaticContact CG-CD1 3.85Å; W446-W489 HydrophobicContact CH2-CB 4.19Å; W446-W489 HydrophobicContact CH2-CG 4.33Å; W446-W489 HydrophobicContact CZ2-CB 3.72Å; W446-W489 HydrophobicContact CZ2-CG 4.19Å; W446-W489 HydrophobicContact CZ3-CG 4.39Å; N449-W489 HydrophobicContact CB-CZ2 4.34Å; G451-W489 WeakPolarHBondContact O-CZ2 3.38Å; P453-W489 HydrophobicContact CB-CE3 3.98Å; P453-W489 HydrophobicContact CB-CZ3 4.48Å; P453-W489 HydrophobicContact CG-CB 4.33Å; P453-W489 HydrophobicContact CG-CD2 4.44Å; P453-W489 HydrophobicContact CG-CE3 4.14Å; Q473-W489 PolarHBondContact NE2-O 3.48Å; Q473-W489 PolarHBondContact OE1-O 3.49Å; Q473-W489 VanDerWaalsContact OE1-O 3.14Å; Q475-W489 HydrophobicContact CB-CH2 4.17Å; Q475-W489 HydrophobicContact CB-CZ3 3.92Å; Q475-W489 HydrophobicContact CG-CH2 3.69Å; Q475-W489 HydrophobicContact CG-CZ3 3.94Å; K487-W489 HydrophobicContact CB-CH2 3.79Å; K487-W489 HydrophobicContact CB-CZ2 4.14Å; K487-W489 HydrophobicContact CB-CZ3 4.1Å; K487-W489 WeakPolarHBondContact O-CZ3 3.32Å; W489-V491 HydrophobicContact CB-CG2 4.09Å; W489-V491 WeakPolarHBondContact O-CG2 3.47Å; W489-V491 PolarHBondContact O-N 3.11Å; W489-V491 VanDerWaalsContact O-N 3.09Å
490P97.4Very high83.2Confident14 Ų1459.7 Ų59.79%0.09132%0.322CS..  trans-67100.5158.5-20.835.9000108.4L442 P445 W446 P492 V511 L512 R513L442-P490 HydrophobicContact CD1-CB 3.94Å; P445-P490 HydrophobicContact CG-CG 4.01Å; W446-P490 PolarHBondContact NE1-O 3.11Å; P490-P492 VanDerWaalsContact O-CD 3.23Å; P490-P492 WeakPolarHBondContact O-CD 3.47Å; P490-V511 HydrophobicContact CB-CG1 4.03Å; P490-L512 WeakPolarHBondContact CA-O 3.13Å; P490-R513 HydrophobicContact CB-CG 4.4Å
491V97.9Very high84.6Confident1 Ų158.2 Ų58.21%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-91.6111.6-174.1-1690000110.3W446 P453 W489 I493 V511 L512 Y546W446-V491 HydrophobicContact CZ2-CB 4.48Å; W446-V491 HydrophobicContact CZ2-CG1 4.42Å; W446-V491 HydrophobicContact CZ2-CG2 4.23Å; P453-V491 HydrophobicContact CB-CG2 4.44Å; P453-V491 HydrophobicContact CG-CG2 3.72Å; W489-V491 HydrophobicContact CB-CG2 4.09Å; W489-V491 WeakPolarHBondContact O-CG2 3.47Å; W489-V491 PolarHBondContact O-N 3.11Å; W489-V491 VanDerWaalsContact O-N 3.09Å; V491-I493 HydrophobicContact CB-CD1 4.46Å; V491-I493 HydrophobicContact CB-CG1 4.17Å; V491-I493 HydrophobicContact CG1-CD1 4.43Å; V491-I493 HydrophobicContact CG1-CG1 3.79Å; V491-I493 WeakPolarHBondContact O-CG1 3.46Å; V491-I493 PolarHBondContact O-N 3.26Å; V491-V511 VanDerWaalsContact O-CA 3.29Å; V491-V511 WeakPolarHBondContact O-CA 3.5Å; V491-L512 HydrophobicContact CB-CB 4.39Å; V491-L512 PolarHBondContact N-O 3.42Å; V491-L512 PolarHBondContact O-N 3.43Å; V491-Y546 HydrophobicContact CG1-CD1 3.57Å; V491-Y546 HydrophobicContact CG1-CE1 3.49Å; V491-Y546 VanDerWaalsContact CG1-CE1 3.49Å; V491-Y546 HydrophobicContact CG1-CG 4.22Å
492P96.7Very high86.1Confident6 Ų654.9 Ų54.94%0.03929%0.287CS..EExtended strand (participates in β ladder)trans-72.8109.517029.5-31.4000109.4M396 Y400 P490 Y546M396-P492 HydrophobicContact CE-CG 4.13Å; M396-P492 HydrophobicContact CG-CG 3.78Å; M396-P492 HydrophobicContact SD-CG 3.71Å; Y400-P492 HydrophobicContact CD1-CB 4.17Å; Y400-P492 HydrophobicContact CD2-CB 3.47Å; Y400-P492 VanDerWaalsContact CD2-CB 3.47Å; Y400-P492 HydrophobicContact CE1-CB 4.46Å; Y400-P492 HydrophobicContact CE2-CB 3.82Å; Y400-P492 HydrophobicContact CG-CB 3.68Å; P490-P492 VanDerWaalsContact O-CD 3.23Å; P490-P492 WeakPolarHBondContact O-CD 3.47Å; P492-Y546 PolarHBondContact O-OH 2.9Å
493I95.8Very high87.8Confident0 Ų060 Ų600%030%0.304CS..EExtended strand (participates in β ladder)trans-106.9136.6-175.5-58.4167.9000109.4L455 L471 V491 L495 K509 H510 L512L455-I493 HydrophobicContact CD1-CD1 3.64Å; L455-I493 HydrophobicContact CD2-CD1 3.9Å; L455-I493 HydrophobicContact CD2-CG1 4.02Å; L455-I493 HydrophobicContact CD2-CG2 4.04Å; L455-I493 HydrophobicContact CG-CD1 4.45Å; L471-I493 HydrophobicContact CD1-CD1 4.05Å; V491-I493 HydrophobicContact CB-CD1 4.46Å; V491-I493 HydrophobicContact CB-CG1 4.17Å; V491-I493 HydrophobicContact CG1-CD1 4.43Å; V491-I493 HydrophobicContact CG1-CG1 3.79Å; V491-I493 WeakPolarHBondContact O-CG1 3.46Å; V491-I493 PolarHBondContact O-N 3.26Å; I493-L495 HydrophobicContact CG2-CD2 3.53Å; I493-L495 HydrophobicContact CG2-CG 3.73Å; I493-K509 WeakPolarHBondContact O-CA 3.42Å; I493-H510 PolarHBondContact N-O 2.74Å; I493-H510 PolarHBondContact O-N 3.06Å; I493-L512 HydrophobicContact CD1-CB 3.53Å; I493-L512 HydrophobicContact CD1-CD2 4.18Å; I493-L512 HydrophobicContact CD1-CG 4.5Å
494S93.3Very high89.7Confident25 Ų2557.1 Ų57.118%0.17528%0.28CS..EExtended strand (participates in β ladder)trans-116.6118.4162.3-61.90000108.8F508 N539S494-F508 WeakPolarHBondContact CA-O 3.19Å; S494-N539 PolarHBondContact O-N 2.91Å
495L95.2Very high91.1Very high0 Ų051.7 Ų51.70%027%0.271CS..EExtended strand (participates in β ladder)trans-105.4115.7176.4-59.1179000109.8V457 L471 I493 V507 F508 I521 I536 A538V457-L495 HydrophobicContact CG2-CD2 4.43Å; L471-L495 HydrophobicContact CD1-CD1 4.3Å; L471-L495 HydrophobicContact CD2-CD1 4.08Å; L471-L495 HydrophobicContact CD2-CD2 4.5Å; I493-L495 HydrophobicContact CG2-CD2 3.53Å; I493-L495 HydrophobicContact CG2-CG 3.73Å; L495-V507 WeakPolarHBondContact O-CA 3.4Å; L495-F508 HydrophobicContact CB-CB 4.42Å; L495-F508 HydrophobicContact CD1-CD1 4.26Å; L495-F508 PolarHBondContact N-O 2.88Å; L495-F508 PolarHBondContact O-N 3.36Å; L495-I521 HydrophobicContact CD1-CD1 3.62Å; L495-I536 HydrophobicContact CB-CG2 4.37Å; L495-I536 HydrophobicContact CD2-CG2 4.35Å; L495-A538 HydrophobicContact CD2-CB 3.51Å
496T94.3Very high92.3Very high17 Ų1748.2 Ų48.210%0.10425%0.249CC..EExtended strand (participates in β ladder)trans-85.8112.4167-52.10000108.7I536 R537 A540T496-I536 WeakPolarHBondContact O-CA 3.34Å; T496-R537 PolarHBondContact N-O 2.86Å; T496-R537 PolarHBondContact O-N 2.68Å; T496-A540 WeakPolarHBondContact OG1-CB 3.24Å
497C94.6Very high93Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-104.3121.7175.9-56.20000108.9L467 S505 F506 L523 V535L467-C497 HydrophobicContact CD1-CB 4.2Å; C497-S505 CarbonylContact O-C 3.54Å; C497-S505 WeakPolarHBondContact O-CA 3.09Å; C497-F506 PolarHBondContact N-O 2.98Å; C497-F506 PolarHBondContact O-N 3.06Å; C497-L523 HydrophobicContact CB-CD1 4.48Å; C497-L523 HydrophobicContact CB-CD2 4.35Å; C497-V535 CarbonylContact C-O 3.18Å; C497-V535 WeakPolarHBondContact CA-O 2.88Å
498S93.6Very high93.2Very high17 Ų1745.4 Ų45.412%0.11923%0.229CC..EExtended strand (participates in β ladder)trans-128.4147.8-177.2-60.80000111.4H504 S505 Y534 V535S498-H504 VanDerWaalsContact CA-O 3.28Å; S498-H504 WeakPolarHBondContact CA-O 3.27Å; S498-S505 PolarHBondContact OG-OG 3.35Å; S498-Y534 WeakPolarHBondContact O-CA 3.23Å; S498-V535 PolarHBondContact N-O 2.96Å; S498-V535 PolarHBondContact O-N 3.39Å
499S92.2Very high93.3Very high10 Ų1046.8 Ų46.87%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-67.3148.9163.961.60000109.3D501 R502 K503 H504 D533S499-D501 WeakPolarHBondContact CB-OD1 3.47Å; S499-D501 PolarHBondContact O-N 3.48Å; S499-D501 PolarHBondContact OG-OD1 3.1Å; S499-R502 VanDerWaalsContact O-CA 3.31Å; S499-R502 WeakPolarHBondContact O-CA 3.42Å; S499-R502 PolarHBondContact O-N 2.64Å; S499-R502 PolarHBondContact OG-N 2.74Å; S499-K503 PolarHBondContact OG-N 3.1Å; S499-H504 PolarHBondContact N-O 3.3Å; S499-H504 PolarHBondContact OG-N 3.29Å; S499-H504 VanDerWaalsContact OG-N 3.15Å; S499-D533 CarbonylContact C-O 3.5Å
500K88.3Confident93.2Very high87 Ų8749 Ų4938%0.37824%0.242SC..THydrogen-bonded Turntrans-60.4-28.3-179.5-171.7170.7-161.2153.50113.4R502 D532 D533K500-R502 VanDerWaalsContact C-N 3.25Å; K500-D532 VanDerWaalsContact CD-O 3.32Å; K500-D532 WeakPolarHBondContact CD-O 3.34Å; K500-D532 PolarHBondContact NZ-O 2.9Å; K500-D533 WeakPolarHBondContact CB-O 3.47Å; K500-D533 PolarHBondContact N-O 3.3Å
501D87.5Confident93.1Very high87 Ų8749.3 Ų49.347%0.46524%0.244SC..THydrogen-bonded Turntrans-82.6-0.8173.473.6-8.2000113.8S499 K503S499-D501 WeakPolarHBondContact CB-OD1 3.47Å; S499-D501 PolarHBondContact O-N 3.48Å; S499-D501 PolarHBondContact OG-OD1 3.1Å; D501-K503 PolarHBondContact O-N 3.41Å; D501-K503 VanDerWaalsContact O-N 3.1Å; D501-K503 PolarHBondContact OD1-N 2.66Å; D501-K503 VanDerWaalsContact OD1-N 3.12Å; D501-K503 VanDerWaalsContact OD2-CD 3.23Å; D501-K503 WeakPolarHBondContact OD2-CD 3.38Å; D501-K503 VanDerWaalsContact OD2-CE 3.27Å; D501-K503 WeakPolarHBondContact OD2-CE 3.47Å; D501-K503 WeakPolarHBondContact OD2-CG 3.43Å; D501-K503 IonicContact OD2-NZ 2.81Å; D501-K503 PolarHBondContact OD2-NZ 3.26Å
502R86.9Confident93.1Very high105 Ų10549.3 Ų49.340%0.39624%0.244SC..SBendtrans56.117.3-178.7-52.9-171.4-55.3179.7-1.1115.6S499 K500 H504 D561 L564 G565S499-R502 VanDerWaalsContact O-CA 3.31Å; S499-R502 WeakPolarHBondContact O-CA 3.42Å; S499-R502 PolarHBondContact O-N 2.64Å; S499-R502 PolarHBondContact OG-N 2.74Å; K500-R502 VanDerWaalsContact C-N 3.25Å; R502-H504 PolarHBondContact O-N 3.15Å; R502-D561 WeakPolarHBondContact CD-OD1 3.33Å; R502-L564 VanDerWaalsContact NH1-C 3.32Å; R502-L564 PolarHBondContact NH1-O 3.32Å; R502-L564 VanDerWaalsContact NH1-O 3.1Å; R502-L564 PolarHBondContact NH2-O 3.32Å; R502-G565 PolarHBondContact NH1-O 2.9Å
503K89Confident93Very high157 Ų15755 Ų5568%0.68326%0.264SS*.SBendtrans-69.2-24173.5-68.8-172.4-166.2124.60112.4S499 D501S499-K503 PolarHBondContact OG-N 3.1Å; D501-K503 PolarHBondContact O-N 3.41Å; D501-K503 VanDerWaalsContact O-N 3.1Å; D501-K503 PolarHBondContact OD1-N 2.66Å; D501-K503 VanDerWaalsContact OD1-N 3.12Å; D501-K503 VanDerWaalsContact OD2-CD 3.23Å; D501-K503 WeakPolarHBondContact OD2-CD 3.38Å; D501-K503 VanDerWaalsContact OD2-CE 3.27Å; D501-K503 WeakPolarHBondContact OD2-CE 3.47Å; D501-K503 WeakPolarHBondContact OD2-CG 3.43Å; D501-K503 IonicContact OD2-NZ 2.81Å; D501-K503 PolarHBondContact OD2-NZ 3.26Å
504H92Very high93.1Very high78 Ų7858 Ų5836%0.36128%0.283SS..  trans-129.2138.4180-55.7-76.9000110.5S498 S499 R502 W525S498-H504 VanDerWaalsContact CA-O 3.28Å; S498-H504 WeakPolarHBondContact CA-O 3.27Å; S499-H504 PolarHBondContact N-O 3.3Å; S499-H504 PolarHBondContact OG-N 3.29Å; S499-H504 VanDerWaalsContact OG-N 3.15Å; R502-H504 PolarHBondContact O-N 3.15Å; H504-W525 HydrophobicContact CB-CB 4.21Å; H504-W525 HydrophobicContact CB-CD2 3.26Å; H504-W525 HydrophobicContact CB-CE3 3.47Å; H504-W525 VanDerWaalsContact CB-CE3 3.47Å; H504-W525 HydrophobicContact CB-CG 3.6Å; H504-W525 HydrophobicContact CB-CH2 4.2Å; H504-W525 HydrophobicContact CB-CZ2 4.01Å; H504-W525 HydrophobicContact CB-CZ3 3.94Å; H504-W525 AromaticContact CG-CD2 3.82Å; H504-W525 AromaticContact CG-CE3 4Å; H504-W525 AromaticContact CG-CG 3.72Å; H504-W525 AromaticContact ND1-CG 3.9Å
505S91.3Very high93.2Very high73 Ų7360.8 Ų60.851%0.5130%0.299SS..EExtended strand (participates in β ladder)trans-145.9144.4173.4-165.90000110.1C497 S498C497-S505 CarbonylContact O-C 3.54Å; C497-S505 WeakPolarHBondContact O-CA 3.09Å; S498-S505 PolarHBondContact OG-OG 3.35Å
506F93.7Very high93.3Very high77 Ų7762.9 Ų62.934%0.33831%0.314SS..EExtended strand (participates in β ladder)trans-143.1138-180175.7-108.6000109.9C497 F508 I521 L523 W525C497-F506 PolarHBondContact N-O 2.98Å; C497-F506 PolarHBondContact O-N 3.06Å; F506-F508 HydrophobicContact CD1-CB 4.3Å; F506-F508 HydrophobicContact CE1-CB 3.82Å; F506-F508 HydrophobicContact CE1-CD2 4.16Å; F506-F508 HydrophobicContact CE1-CG 4.48Å; F506-I521 HydrophobicContact CD1-CG2 4.1Å; F506-I521 HydrophobicContact CE1-CG2 4.02Å; F506-L523 HydrophobicContact CB-CD2 3.7Å; F506-L523 HydrophobicContact CD1-CD2 3.65Å; F506-L523 HydrophobicContact CG-CD2 3.93Å; F506-W525 HydrophobicContact CB-CZ2 4.3Å
507V93.3Very high93.4Very high82 Ų8264 Ų6450%0.49732%0.318SS..EExtended strand (participates in β ladder)trans-105.6117.9175.9-179.90000109.4L495L495-V507 WeakPolarHBondContact O-CA 3.4Å
508F94.5Very high93.5Very high40 Ų4068.7 Ų68.718%0.17534%0.343CS..EExtended strand (participates in β ladder)trans-103.5127.1175.8-178.3-107.6000110.2S494 L495 F506 H510 V519 I521S494-F508 WeakPolarHBondContact CA-O 3.19Å; L495-F508 HydrophobicContact CB-CB 4.42Å; L495-F508 HydrophobicContact CD1-CD1 4.26Å; L495-F508 PolarHBondContact N-O 2.88Å; L495-F508 PolarHBondContact O-N 3.36Å; F506-F508 HydrophobicContact CD1-CB 4.3Å; F506-F508 HydrophobicContact CE1-CB 3.82Å; F506-F508 HydrophobicContact CE1-CD2 4.16Å; F506-F508 HydrophobicContact CE1-CG 4.48Å; F508-H510 HydrophobicContact CD1-CB 4.33Å; F508-H510 HydrophobicContact CE1-CB 3.74Å; F508-H510 HydrophobicContact CZ-CB 4.42Å; F508-V519 HydrophobicContact CE1-CG2 4.49Å; F508-I521 HydrophobicContact CB-CG2 3.87Å; F508-I521 HydrophobicContact CD1-CD1 4.1Å; F508-I521 HydrophobicContact CD1-CG1 3.94Å; F508-I521 HydrophobicContact CD2-CG2 4.2Å; F508-I521 HydrophobicContact CE1-CG1 4.2Å; F508-I521 HydrophobicContact CG-CD1 4.46Å; F508-I521 HydrophobicContact CG-CG1 4.21Å; F508-I521 HydrophobicContact CG-CG2 3.97Å
509K94Very high93.7Very high105 Ų10568.5 Ų68.546%0.45734%0.341SS..EExtended strand (participates in β ladder)trans-104.4132.7175.4-72.2-172.3170.6-171.80110.2G399 Y400 I493G399-K509 PolarHBondContact O-NZ 3.1Å; Y400-K509 PolarHBondContact O-NZ 2.85Å; I493-K509 WeakPolarHBondContact O-CA 3.42Å
510H95.1Very high93.9Very high47 Ų4772.5 Ų72.522%0.21836%0.361CS..EExtended strand (participates in β ladder)trans-143.3159.1178.1-172.853.6000111I493 F508 E517I493-H510 PolarHBondContact N-O 2.74Å; I493-H510 PolarHBondContact O-N 3.06Å; F508-H510 HydrophobicContact CD1-CB 4.33Å; F508-H510 HydrophobicContact CE1-CB 3.74Å; F508-H510 HydrophobicContact CZ-CB 4.42Å; H510-E517 IonicContact CD2-OE2 2.62Å; H510-E517 IonicContact CE1-OE2 2.74Å; H510-E517 IonicContact NE2-OE2 3.36Å; H510-E517 PolarHBondContact NE2-OE2 2.82Å
511V96.6Very high94.2Very high22 Ų2268.3 Ų68.313%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-116.6105.7167.6-175.50000108.6Y400 L442 P490 V491 R513Y400-V511 HydrophobicContact CE1-CG2 4.48Å; Y400-V511 HydrophobicContact CE2-CG2 4.35Å; Y400-V511 WeakPolarHBondContact OH-CG2 3.24Å; L442-V511 HydrophobicContact CD1-CG1 3.84Å; L442-V511 HydrophobicContact CD1-CG2 4.4Å; P490-V511 HydrophobicContact CB-CG1 4.03Å; V491-V511 VanDerWaalsContact O-CA 3.29Å; V491-V511 WeakPolarHBondContact O-CA 3.5Å; V511-R513 HydrophobicContact CG1-CG 3.97Å; V511-R513 PolarHBondContact O-N 3.15Å
512L97.3Very high94.5Very high0 Ų067.9 Ų67.90%035%0.345CS..EExtended strand (participates in β ladder)trans-74.9115.5175176.965.3000108.7L455 L471 Q473 P490 V491 I493 E517L455-L512 HydrophobicContact CD1-CD2 3.78Å; L471-L512 HydrophobicContact CB-CD1 4.3Å; L471-L512 HydrophobicContact CB-CD2 4.25Å; Q473-L512 HydrophobicContact CB-CD2 3.9Å; Q473-L512 HydrophobicContact CG-CD2 4.07Å; Q473-L512 PolarHBondContact NE2-O 3.05Å; P490-L512 WeakPolarHBondContact CA-O 3.13Å; V491-L512 HydrophobicContact CB-CB 4.39Å; V491-L512 PolarHBondContact N-O 3.42Å; V491-L512 PolarHBondContact O-N 3.43Å; I493-L512 HydrophobicContact CD1-CB 3.53Å; I493-L512 HydrophobicContact CD1-CD2 4.18Å; I493-L512 HydrophobicContact CD1-CG 4.5Å; L512-E517 HydrophobicContact CD1-CB 3.97Å; L512-E517 HydrophobicContact CD1-CG 3.64Å
513R95.6Very high94.7Very high125 Ų12563 Ų6347%0.47233%0.327SS..  trans-109.3-23.3-178.1-67.6-176178.1-88.14.1113.1P490 V511 E517P490-R513 HydrophobicContact CB-CG 4.4Å; V511-R513 HydrophobicContact CG1-CG 3.97Å; V511-R513 PolarHBondContact O-N 3.15Å; R513-E517 PolarHBondContact N-OE1 2.81Å
514T95.9Very high94.7Very high63 Ų6361 Ų6139%0.38734%0.339SS..SBendtrans-100.8175.3178.868.50000111.5Q473 S516 E517Q473-T514 PolarHBondContact NE2-O 3.49Å; Q473-T514 VanDerWaalsContact NE2-O 3.09Å; T514-S516 VanDerWaalsContact C-N 3.33Å; T514-S516 PolarHBondContact OG1-O 3.16Å; T514-E517 WeakPolarHBondContact CB-OE1 3.23Å; T514-E517 WeakPolarHBondContact CG2-OE1 3.41Å; T514-E517 PolarHBondContact N-OE1 3.3Å; T514-E517 VanDerWaalsContact OG1-CD 3.3Å; T514-E517 WeakPolarHBondContact OG1-CG 3.47Å; T514-E517 PolarHBondContact OG1-OE1 2.67Å
515T96Very high94.7Very high84 Ų8459.2 Ų59.252%0.51533%0.329SS..SBendtrans-62.3-39.417643.60000112.1S472 Q473 L488S472-T515 CarbonylContact C-O 3.56Å; S472-T515 WeakPolarHBondContact CA-O 3.29Å; S472-T515 WeakPolarHBondContact CB-O 3.45Å; Q473-T515 PolarHBondContact N-O 2.91Å; L488-T515 HydrophobicContact CD1-CG2 3.98Å; L488-T515 HydrophobicContact CD2-CG2 3.76Å; L488-T515 HydrophobicContact CG-CG2 4.43Å
516S97.3Very high94.6Very high45 Ų4557 Ų5732%0.31531%0.311SS..EExtended strand (participates in β ladder)trans-153.5137.9177-174.30000111.5Q470 L471 T514Q470-S516 PolarHBondContact NE2-OG 2.86Å; Q470-S516 VanDerWaalsContact NE2-OG 3.16Å; L471-S516 CarbonylContact O-C 3.41Å; L471-S516 WeakPolarHBondContact O-CA 3.26Å; L471-S516 PolarHBondContact O-OG 2.92Å; L471-S516 VanDerWaalsContact O-OG 3.13Å; T514-S516 VanDerWaalsContact C-N 3.33Å; T514-S516 PolarHBondContact OG1-O 3.16Å
517E97.4Very high94.2Very high40 Ų4059.2 Ų59.219%0.18733%0.331CS..EExtended strand (participates in β ladder)trans-135.5143.2178-60.8175.2-16500109.2L471 H510 L512 R513 T514 V519L471-E517 PolarHBondContact N-O 3.43Å; L471-E517 PolarHBondContact O-N 3.27Å; H510-E517 IonicContact CD2-OE2 2.62Å; H510-E517 IonicContact CE1-OE2 2.74Å; H510-E517 IonicContact NE2-OE2 3.36Å; H510-E517 PolarHBondContact NE2-OE2 2.82Å; L512-E517 HydrophobicContact CD1-CB 3.97Å; L512-E517 HydrophobicContact CD1-CG 3.64Å; R513-E517 PolarHBondContact N-OE1 2.81Å; T514-E517 WeakPolarHBondContact CB-OE1 3.23Å; T514-E517 WeakPolarHBondContact CG2-OE1 3.41Å; T514-E517 PolarHBondContact N-OE1 3.3Å; T514-E517 VanDerWaalsContact OG1-CD 3.3Å; T514-E517 WeakPolarHBondContact OG1-CG 3.47Å; T514-E517 PolarHBondContact OG1-OE1 2.67Å; E517-V519 HydrophobicContact CB-CG1 4.43Å
518L97Very high94Very high99 Ų9957.5 Ų57.552%0.51832%0.321SS..EExtended strand (participates in β ladder)trans-92.8125.9164.5-15385.1000107.2V460 E468 Q470V460-L518 HydrophobicContact CG2-CD1 4.07Å; E468-L518 VanDerWaalsContact CD-CD2 3.49Å; E468-L518 HydrophobicContact CG-CD1 4.13Å; E468-L518 HydrophobicContact CG-CD2 3.53Å; E468-L518 HydrophobicContact CG-CG 3.73Å; E468-L518 VanDerWaalsContact OE1-CD2 3.28Å; E468-L518 WeakPolarHBondContact OE1-CD2 3.29Å; Q470-L518 HydrophobicContact CB-CD1 4.11Å
519V96.7Very high93.9Very high13 Ų1359.8 Ų59.88%0.07934%0.338CS..EExtended strand (participates in β ladder)trans-120.6132.5178.7-62.10000110.6V469 L471 F508 E517 I521V469-V519 HydrophobicContact CB-CG2 4.04Å; V469-V519 PolarHBondContact N-O 3.46Å; V469-V519 WeakPolarHBondContact O-CG2 3.47Å; V469-V519 PolarHBondContact O-N 3.06Å; L471-V519 HydrophobicContact CD1-CG1 4.27Å; L471-V519 HydrophobicContact CD1-CG2 3.78Å; L471-V519 HydrophobicContact CG-CG2 4.04Å; F508-V519 HydrophobicContact CE1-CG2 4.49Å; E517-V519 HydrophobicContact CB-CG1 4.43Å; V519-I521 HydrophobicContact CG2-CG1 4.33Å
520D95.6Very high93.8Very high93 Ų9357.9 Ų57.950%0.49733%0.333SS..EExtended strand (participates in β ladder)trans-87.5110.6170.1-86.6-60.6000109.6S466 P522S466-D520 PolarHBondContact OG-OD1 3.22Å; D520-P522 WeakPolarHBondContact O-CD 3.38Å
521I95.8Very high93.5Very high0 Ų057.8 Ų57.80%034%0.337CS..EExtended strand (participates in β ladder)trans-91.4109.8176-54.5-177.2000108.5S466 L467 V469 L495 F506 F508 V519 L523S466-I521 CarbonylContact C-O 3.6Å; S466-I521 WeakPolarHBondContact CA-O 3.25Å; S466-I521 WeakPolarHBondContact CB-O 3.16Å; L467-I521 HydrophobicContact CB-CB 4.34Å; L467-I521 PolarHBondContact N-O 2.96Å; L467-I521 PolarHBondContact O-N 2.93Å; V469-I521 HydrophobicContact CB-CD1 4.21Å; V469-I521 HydrophobicContact CG2-CD1 3.59Å; V469-I521 HydrophobicContact CG2-CG1 4.12Å; L495-I521 HydrophobicContact CD1-CD1 3.62Å; F506-I521 HydrophobicContact CD1-CG2 4.1Å; F506-I521 HydrophobicContact CE1-CG2 4.02Å; F508-I521 HydrophobicContact CB-CG2 3.87Å; F508-I521 HydrophobicContact CD1-CD1 4.1Å; F508-I521 HydrophobicContact CD1-CG1 3.94Å; F508-I521 HydrophobicContact CD2-CG2 4.2Å; F508-I521 HydrophobicContact CE1-CG1 4.2Å; F508-I521 HydrophobicContact CG-CD1 4.46Å; F508-I521 HydrophobicContact CG-CG1 4.21Å; F508-I521 HydrophobicContact CG-CG2 3.97Å; V519-I521 HydrophobicContact CG2-CG1 4.33Å; I521-L523 HydrophobicContact CG2-CD2 4.42Å; I521-L523 PolarHBondContact O-N 3.44Å
522P93.9Very high93.1Very high77 Ų7758.7 Ų58.750%0.534%0.341SS..EExtended strand (participates in β ladder)trans-69.8123.8-177.828.4-33.8000110.5D520D520-P522 WeakPolarHBondContact O-CD 3.38Å
523L91Very high92.8Very high4 Ų461.2 Ų61.22%0.02135%0.354CS..  trans-128.1115.9175.8-68.5-171000110.3T465 L467 C497 F506 I521 W525 I526T465-L523 PolarHBondContact O-N 3.32Å; L467-L523 HydrophobicContact CD1-CD1 3.48Å; L467-L523 VanDerWaalsContact CD1-CD1 3.48Å; L467-L523 HydrophobicContact CD1-CG 4.42Å; L467-L523 HydrophobicContact CD2-CD1 3.9Å; L467-L523 HydrophobicContact CG-CD1 3.43Å; L467-L523 VanDerWaalsContact CG-CD1 3.43Å; L467-L523 HydrophobicContact CG-CG 4.12Å; C497-L523 HydrophobicContact CB-CD1 4.48Å; C497-L523 HydrophobicContact CB-CD2 4.35Å; F506-L523 HydrophobicContact CB-CD2 3.7Å; F506-L523 HydrophobicContact CD1-CD2 3.65Å; F506-L523 HydrophobicContact CG-CD2 3.93Å; I521-L523 HydrophobicContact CG2-CD2 4.42Å; I521-L523 PolarHBondContact O-N 3.44Å; L523-W525 HydrophobicContact CD1-CH2 3.58Å; L523-W525 HydrophobicContact CD1-CZ2 3.65Å; L523-W525 HydrophobicContact CD1-CZ3 4.03Å; L523-W525 HydrophobicContact CD2-CH2 4.34Å; L523-W525 HydrophobicContact CD2-CZ2 3.56Å; L523-W525 HydrophobicContact CG-CZ2 4.17Å; L523-W525 PolarHBondContact O-N 3.24Å; L523-I526 HydrophobicContact CB-CD1 3.88Å; L523-I526 HydrophobicContact CB-CG1 3.67Å; L523-I526 HydrophobicContact CD1-CG1 4.26Å
524A88.9Confident92.7Very high113 Ų11355.4 Ų55.493%0.93433%0.332SS*.THydrogen-bonded Turntrans-77.8-6.4-179.100000114.2
525W91Very high92.6Very high41 Ų4152.7 Ų52.716%0.15532%0.316CS..THydrogen-bonded Turntrans-116.916.2-171.147.8-102.5000113.6H504 F506 L523 T527 Y534H504-W525 HydrophobicContact CB-CB 4.21Å; H504-W525 HydrophobicContact CB-CD2 3.26Å; H504-W525 HydrophobicContact CB-CE3 3.47Å; H504-W525 VanDerWaalsContact CB-CE3 3.47Å; H504-W525 HydrophobicContact CB-CG 3.6Å; H504-W525 HydrophobicContact CB-CH2 4.2Å; H504-W525 HydrophobicContact CB-CZ2 4.01Å; H504-W525 HydrophobicContact CB-CZ3 3.94Å; H504-W525 AromaticContact CG-CD2 3.82Å; H504-W525 AromaticContact CG-CE3 4Å; H504-W525 AromaticContact CG-CG 3.72Å; H504-W525 AromaticContact ND1-CG 3.9Å; F506-W525 HydrophobicContact CB-CZ2 4.3Å; L523-W525 HydrophobicContact CD1-CH2 3.58Å; L523-W525 HydrophobicContact CD1-CZ2 3.65Å; L523-W525 HydrophobicContact CD1-CZ3 4.03Å; L523-W525 HydrophobicContact CD2-CH2 4.34Å; L523-W525 HydrophobicContact CD2-CZ2 3.56Å; L523-W525 HydrophobicContact CG-CZ2 4.17Å; L523-W525 PolarHBondContact O-N 3.24Å; W525-T527 PolarHBondContact O-N 2.94Å; W525-Y534 HydrophobicContact CE3-CE1 4.34Å; W525-Y534 HydrophobicContact CH2-CD1 4.26Å; W525-Y534 HydrophobicContact CH2-CE1 4.48Å; W525-Y534 AromaticContact CZ3-CD1 3.83Å; W525-Y534 HydrophobicContact CZ3-CD1 3.83Å; W525-Y534 AromaticContact CZ3-CE1 3.67Å; W525-Y534 HydrophobicContact CZ3-CE1 3.67Å
526I90.3Very high92.5Very high27 Ų2748.8 Ų48.814%0.13829%0.292CS..  trans-61.7122.2175.4-68.9-178.6000109.5V462 N463 L467 L523 T528 Y534V462-I526 HydrophobicContact CG1-CD1 4.13Å; V462-I526 HydrophobicContact CG1-CG2 4.02Å; N463-I526 WeakPolarHBondContact O-CD1 3.49Å; N463-I526 WeakPolarHBondContact O-CG2 3.35Å; L467-I526 HydrophobicContact CD2-CD1 4.16Å; L523-I526 HydrophobicContact CB-CD1 3.88Å; L523-I526 HydrophobicContact CB-CG1 3.67Å; L523-I526 HydrophobicContact CD1-CG1 4.26Å; I526-T528 WeakPolarHBondContact CG2-O 3.27Å; I526-Y534 HydrophobicContact CG1-CE1 4.31Å; I526-Y534 WeakPolarHBondContact CG2-OH 3.39Å
527T84.9Confident92.4Very high124 Ų12448.2 Ų48.276%0.76128%0.283SS*.  trans-111.9-17.6177.453.90000113.1W525 Y534W525-T527 PolarHBondContact O-N 2.94Å; T527-Y534 PolarHBondContact N-OH 3.32Å
528T90Very high92.3Very high45 Ų4546.6 Ų46.628%0.27628%0.276SS..  trans-140.1153.2-178.988.40000109.6V462 I526 N530 D533 Y534V462-T528 WeakPolarHBondContact CG1-O 3.34Å; I526-T528 WeakPolarHBondContact CG2-O 3.27Å; T528-N530 VanDerWaalsContact C-N 3.3Å; T528-N530 PolarHBondContact OG1-N 2.98Å; T528-D533 WeakPolarHBondContact CB-OD2 3.2Å; T528-D533 WeakPolarHBondContact CG2-OD2 3.44Å; T528-D533 PolarHBondContact OG1-OD2 2.64Å; T528-Y534 PolarHBondContact N-OH 3.47Å; T528-Y534 WeakPolarHBondContact O-CE2 3.48Å; T528-Y534 PolarHBondContact O-OH 3.19Å
529T92.2Very high92.2Very high88 Ų8842 Ų4254%0.5425%0.252SS..SBendtrans-93.912172.360.40000112.2P531T529-P531 WeakPolarHBondContact O-CD 3.17Å
530N90.7Very high91.7Very high66 Ų6641.7 Ų41.735%0.35325%0.251SS..  trans-86.1116.9-179.8179.113.8000109.3T528 D532 D533 Y534T528-N530 VanDerWaalsContact C-N 3.3Å; T528-N530 PolarHBondContact OG1-N 2.98Å; N530-D532 PolarHBondContact O-N 2.87Å; N530-D532 PolarHBondContact OD1-N 3.01Å; N530-D533 PolarHBondContact O-N 3.11Å; N530-D533 VanDerWaalsContact O-N 3.13Å; N530-Y534 VanDerWaalsContact O-CD2 3.3Å; N530-Y534 WeakPolarHBondContact O-CD2 3.35Å; N530-Y534 VanDerWaalsContact O-CE2 3.31Å; N530-Y534 WeakPolarHBondContact O-CE2 3.2Å
531P89.2Confident91.3Very high45 Ų4541.9 Ų41.929%0.29225%0.252SS..G310 helixtrans-54.7-28.5178.2-26.335.4000113.8L459 V462 T529 D533 Y534L459-P531 HydrophobicContact CD2-CB 3.83Å; L459-P531 HydrophobicContact CG-CB 4.2Å; V462-P531 HydrophobicContact CG2-CB 4.3Å; V462-P531 HydrophobicContact CG2-CG 4.18Å; T529-P531 WeakPolarHBondContact O-CD 3.17Å; P531-D533 PolarHBondContact O-N 3.33Å; P531-Y534 PolarHBondContact O-N 3.26Å
532D87.8Confident91.2Very high41 Ų4142 Ų4222%0.21925%0.252CS..G310 helixtrans-70.8-11.6-176.8-65.7-20.5000114.6K500 N530 Y534 K553K500-D532 VanDerWaalsContact CD-O 3.32Å; K500-D532 WeakPolarHBondContact CD-O 3.34Å; K500-D532 PolarHBondContact NZ-O 2.9Å; N530-D532 PolarHBondContact O-N 2.87Å; N530-D532 PolarHBondContact OD1-N 3.01Å; D532-Y534 VanDerWaalsContact C-N 3.26Å; D532-K553 VanDerWaalsContact CG-CE 3.41Å; D532-K553 WeakPolarHBondContact OD1-CD 3.46Å; D532-K553 WeakPolarHBondContact OD1-CE 3.5Å; D532-K553 IonicContact OD1-NZ 2.71Å; D532-K553 PolarHBondContact OD1-NZ 3.05Å; D532-K553 VanDerWaalsContact OD2-CE 3.26Å; D532-K553 WeakPolarHBondContact OD2-CE 3.37Å; D532-K553 IonicContact OD2-NZ 3.71Å; D532-K553 PolarHBondContact OD2-NZ 3.36Å
533D91.4Very high91.2Very high52 Ų5239.9 Ų39.928%0.27824%0.238SC..G310 helixtrans-88.14.2177.3-62.5-26.8000112.2S499 K500 T528 N530 P531S499-D533 CarbonylContact C-O 3.5Å; K500-D533 WeakPolarHBondContact CB-O 3.47Å; K500-D533 PolarHBondContact N-O 3.3Å; T528-D533 WeakPolarHBondContact CB-OD2 3.2Å; T528-D533 WeakPolarHBondContact CG2-OD2 3.44Å; T528-D533 PolarHBondContact OG1-OD2 2.64Å; N530-D533 PolarHBondContact O-N 3.11Å; N530-D533 VanDerWaalsContact O-N 3.13Å; P531-D533 PolarHBondContact O-N 3.33Å
534Y93.5Very high91.5Very high3 Ų339.7 Ų39.71%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-127.8143.2-176.9-55.8-84.5000111.9V462 L467 S498 W525 I526 T527 T528 N530 P531 D532V462-Y534 HydrophobicContact CB-CE2 4.36Å; V462-Y534 HydrophobicContact CG1-CD2 4.36Å; V462-Y534 HydrophobicContact CG1-CE2 3.67Å; V462-Y534 HydrophobicContact CG2-CD2 3.8Å; V462-Y534 HydrophobicContact CG2-CE2 3.89Å; L467-Y534 HydrophobicContact CD2-CD1 4.11Å; L467-Y534 HydrophobicContact CD2-CD2 4.33Å; L467-Y534 HydrophobicContact CD2-CE1 4.37Å; L467-Y534 HydrophobicContact CD2-CG 4.09Å; S498-Y534 WeakPolarHBondContact O-CA 3.23Å; W525-Y534 HydrophobicContact CE3-CE1 4.34Å; W525-Y534 HydrophobicContact CH2-CD1 4.26Å; W525-Y534 HydrophobicContact CH2-CE1 4.48Å; W525-Y534 AromaticContact CZ3-CD1 3.83Å; W525-Y534 HydrophobicContact CZ3-CD1 3.83Å; W525-Y534 AromaticContact CZ3-CE1 3.67Å; W525-Y534 HydrophobicContact CZ3-CE1 3.67Å; I526-Y534 HydrophobicContact CG1-CE1 4.31Å; I526-Y534 WeakPolarHBondContact CG2-OH 3.39Å; T527-Y534 PolarHBondContact N-OH 3.32Å; T528-Y534 PolarHBondContact N-OH 3.47Å; T528-Y534 WeakPolarHBondContact O-CE2 3.48Å; T528-Y534 PolarHBondContact O-OH 3.19Å; N530-Y534 VanDerWaalsContact O-CD2 3.3Å; N530-Y534 WeakPolarHBondContact O-CD2 3.35Å; N530-Y534 VanDerWaalsContact O-CE2 3.31Å; N530-Y534 WeakPolarHBondContact O-CE2 3.2Å; P531-Y534 PolarHBondContact O-N 3.26Å; D532-Y534 VanDerWaalsContact C-N 3.26Å
535V94Very high91.9Very high6 Ų634.3 Ų34.34%0.03619%0.193CC..EExtended strand (participates in β ladder)trans-121.1124.5174.5-178.80000108.7C497 S498 N557 L558 D561C497-V535 CarbonylContact C-O 3.18Å; C497-V535 WeakPolarHBondContact CA-O 2.88Å; S498-V535 PolarHBondContact N-O 2.96Å; S498-V535 PolarHBondContact O-N 3.39Å; V535-N557 HydrophobicContact CG2-CB 4.45Å; V535-L558 HydrophobicContact CG1-CD2 3.45Å; V535-L558 VanDerWaalsContact CG1-CD2 3.45Å; V535-L558 HydrophobicContact CG1-CG 4.23Å; V535-D561 HydrophobicContact CG1-CB 4.27Å; V535-D561 HydrophobicContact CG2-CB 4.41Å
536I95.1Very high92.2Very high2 Ų232.5 Ų32.51%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-112.5120.9174.9-51-177.5000108.1V457 L459 L467 V469 L495 T496 Y550 Q554V457-I536 HydrophobicContact CG1-CB 4.49Å; V457-I536 HydrophobicContact CG1-CG2 3.9Å; L459-I536 HydrophobicContact CB-CD1 4.05Å; L459-I536 HydrophobicContact CD1-CD1 4.09Å; L459-I536 HydrophobicContact CD2-CD1 4.36Å; L459-I536 HydrophobicContact CG-CD1 4.4Å; L467-I536 HydrophobicContact CD1-CD1 4.02Å; L467-I536 HydrophobicContact CD1-CG1 4.27Å; V469-I536 HydrophobicContact CG1-CD1 4.39Å; V469-I536 HydrophobicContact CG2-CD1 3.45Å; V469-I536 VanDerWaalsContact CG2-CD1 3.45Å; L495-I536 HydrophobicContact CB-CG2 4.37Å; L495-I536 HydrophobicContact CD2-CG2 4.35Å; T496-I536 WeakPolarHBondContact O-CA 3.34Å; I536-Y550 WeakPolarHBondContact O-CE1 3.43Å; I536-Q554 PolarHBondContact O-NE2 2.81Å
537R94.4Very high92.6Very high34 Ų3431.4 Ų31.413%0.12818%0.18CC..EExtended strand (participates in β ladder)trans-119.3118.9176.3-178177.167.2169.11109.5T496 A540 L558 W567T496-R537 PolarHBondContact N-O 2.86Å; T496-R537 PolarHBondContact O-N 2.68Å; R537-A540 HydrophobicContact CG-CB 4.36Å; R537-A540 VanDerWaalsContact NE-CB 3.33Å; R537-L558 HydrophobicContact CB-CD2 4.05Å; R537-L558 HydrophobicContact CG-CD2 4.44Å; R537-W567 VanDerWaalsContact CD-CH2 3.41Å; R537-W567 HydrophobicContact CG-CH2 4.21Å; R537-W567 HydrophobicContact CG-CZ2 4.49Å; R537-W567 VanDerWaalsContact NH1-CE2 3.27Å; R537-W567 VanDerWaalsContact NH1-CE3 3.34Å
538A95.8Very high93.2Very high5 Ų525.8 Ų25.84%0.04115%0.146CC..EExtended strand (participates in β ladder)trans-89.6159.9166.700000110.9L455 V457 L495 A540 V548 Y550L455-A538 HydrophobicContact CD2-CB 3.94Å; V457-A538 HydrophobicContact CG2-CB 4.05Å; L495-A538 HydrophobicContact CD2-CB 3.51Å; A538-A540 PolarHBondContact O-N 3.23Å; A538-V548 HydrophobicContact CB-CG1 3.91Å; A538-V548 HydrophobicContact CB-CG2 4.03Å; A538-Y550 PolarHBondContact N-OH 3.15Å; A538-Y550 PolarHBondContact O-OH 3.06Å
539N94.1Very high93.5Very high4 Ų427.3 Ų27.32%0.02115%0.146CC..SBendtrans52.639.8178.3-157.17.4000113.5S494 D541 A542 T543 G544 Y546 V548S494-N539 PolarHBondContact O-N 2.91Å; N539-D541 PolarHBondContact O-N 3.3Å; N539-A542 PolarHBondContact O-N 3.37Å; N539-A542 VanDerWaalsContact O-N 3.09Å; N539-A542 WeakPolarHBondContact OD1-CA 3.41Å; N539-T543 PolarHBondContact OD1-N 3.33Å; N539-G544 PolarHBondContact ND2-O 3.28Å; N539-G544 PolarHBondContact OD1-N 2.79Å; N539-Y546 HydrophobicContact CB-CE2 3.84Å; N539-V548 HydrophobicContact CB-CG2 3.92Å
540A87.2Confident93.7Very high6 Ų623.9 Ų23.95%0.0512%0.124CC..THydrogen-bonded Turntrans-55.6-27.1-170.700000114.3T496 R537 A538 S571T496-A540 WeakPolarHBondContact OG1-CB 3.24Å; R537-A540 HydrophobicContact CG-CB 4.36Å; R537-A540 VanDerWaalsContact NE-CB 3.33Å; A538-A540 PolarHBondContact O-N 3.23Å; A540-S571 WeakPolarHBondContact O-CA 3.32Å; A540-S571 WeakPolarHBondContact O-CB 3.38Å; A540-S571 PolarHBondContact O-OG 2.87Å
541D86.6Confident93.8Very high97 Ų9723.8 Ų23.852%0.51912%0.123SC..THydrogen-bonded Turntrans-117.522.9-179.2-64.4-42.3000112.8N539 T543N539-D541 PolarHBondContact O-N 3.3Å; D541-T543 HydrophobicContact CB-CG2 4.24Å; D541-T543 PolarHBondContact O-N 3.39Å; D541-T543 VanDerWaalsContact O-N 3.13Å
542A93.1Very high93.9Very high1 Ų126.3 Ų26.31%0.00814%0.142CC..SBendtrans52.534.4-178.400000113.7L353 N539 V574L353-A542 HydrophobicContact CD2-CB 4.01Å; N539-A542 PolarHBondContact O-N 3.37Å; N539-A542 VanDerWaalsContact O-N 3.09Å; N539-A542 WeakPolarHBondContact OD1-CA 3.41Å; A542-V574 HydrophobicContact CB-CB 4Å; A542-V574 HydrophobicContact CB-CG2 3.42Å; A542-V574 VanDerWaalsContact CB-CG2 3.42Å
543T94.1Very high94Very high33 Ų3329.8 Ų29.820%0.20216%0.155CC..  trans-85.7-29.5179.350.80000111.8M396 N539 D541M396-T543 WeakPolarHBondContact CA-O 3.39Å; M396-T543 WeakPolarHBondContact CB-O 3.19Å; M396-T543 PolarHBondContact N-O 3.34Å; N539-T543 PolarHBondContact OD1-N 3.33Å; D541-T543 HydrophobicContact CB-CG2 4.24Å; D541-T543 PolarHBondContact O-N 3.39Å; D541-T543 VanDerWaalsContact O-N 3.13Å
544G96.4Very high94.1Very high1 Ų128 Ų281%0.0115%0.145CC..SBendtrans-79137.9-179.100000113.8N539 Y546N539-G544 PolarHBondContact ND2-O 3.28Å; N539-G544 PolarHBondContact OD1-N 2.79Å; G544-Y546 VanDerWaalsContact C-N 3.29Å; G544-Y546 VanDerWaalsContact CA-CE1 3.44Å; G544-Y546 PolarHBondContact O-N 3.2Å
545F97.9Very high94.1Very high0 Ų028.7 Ų28.70%015%0.149CC..SBendtrans-86.763.5171.6-164.8-102.4000111.4L353 A356 L357 D360 K389 S392 L393 M396 W446 F452L353-F545 HydrophobicContact CD1-CD2 3.61Å; L353-F545 HydrophobicContact CD1-CE2 4.14Å; A356-F545 HydrophobicContact CB-CE2 3.55Å; A356-F545 HydrophobicContact CB-CZ 3.81Å; L357-F545 HydrophobicContact CD2-CD1 4.27Å; L357-F545 HydrophobicContact CD2-CD2 4.02Å; L357-F545 HydrophobicContact CD2-CE1 4.05Å; L357-F545 HydrophobicContact CD2-CE2 3.79Å; L357-F545 HydrophobicContact CD2-CG 4.26Å; L357-F545 HydrophobicContact CD2-CZ 3.79Å; L357-F545 HydrophobicContact CG-CD2 4.33Å; L357-F545 HydrophobicContact CG-CE2 3.88Å; L357-F545 HydrophobicContact CG-CZ 4.18Å; D360-F545 HydrophobicContact CB-CZ 4.47Å; K389-F545 HydrophobicContact CB-CZ 4.26Å; K389-F545 HydrophobicContact CD-CE1 4.05Å; K389-F545 HydrophobicContact CD-CZ 4.22Å; K389-F545 HydrophobicContact CG-CD1 4.37Å; K389-F545 HydrophobicContact CG-CE1 3.74Å; K389-F545 HydrophobicContact CG-CE2 4.15Å; K389-F545 HydrophobicContact CG-CZ 3.62Å; S392-F545 VanDerWaalsContact CB-CD2 3.43Å; L393-F545 HydrophobicContact CD2-CB 3.84Å; L393-F545 HydrophobicContact CD2-CD1 4.2Å; L393-F545 HydrophobicContact CD2-CG 4.07Å; M396-F545 HydrophobicContact SD-CB 4.3Å; W446-F545 HydrophobicContact CE3-CD1 4.38Å; W446-F545 HydrophobicContact CZ3-CB 4.18Å; W446-F545 HydrophobicContact CZ3-CD1 4.09Å; W446-F545 VanDerWaalsContact CZ3-O 3.25Å; W446-F545 WeakPolarHBondContact CZ3-O 3.46Å; F452-F545 HydrophobicContact CB-CD1 3.72Å; F452-F545 HydrophobicContact CB-CE1 3.71Å; F452-F545 AromaticContact CD1-CE1 3.79Å; F452-F545 HydrophobicContact CD1-CE1 3.79Å; F452-F545 HydrophobicContact CD1-CZ 4.33Å; F452-F545 HydrophobicContact CG-CD1 4.22Å; F452-F545 AromaticContact CG-CE1 3.89Å; F452-F545 HydrophobicContact CG-CE1 3.89Å
546Y97.9Very high94Very high3 Ų332 Ų321%0.01217%0.166CC..SBendtrans-160.3154.4179.848.7-96.5000111.1M396 W446 P453 L455 V491 P492 N539 G544 V548M396-Y546 HydrophobicContact SD-CE1 4.37Å; W446-Y546 HydrophobicContact CH2-CD1 4.34Å; P453-Y546 WeakPolarHBondContact O-CA 3.42Å; P453-Y546 WeakPolarHBondContact O-CB 3.39Å; L455-Y546 HydrophobicContact CB-CD2 4.13Å; L455-Y546 HydrophobicContact CD2-CD2 4.4Å; L455-Y546 HydrophobicContact CD2-CE2 3.95Å; V491-Y546 HydrophobicContact CG1-CD1 3.57Å; V491-Y546 HydrophobicContact CG1-CE1 3.49Å; V491-Y546 VanDerWaalsContact CG1-CE1 3.49Å; V491-Y546 HydrophobicContact CG1-CG 4.22Å; P492-Y546 PolarHBondContact O-OH 2.9Å; N539-Y546 HydrophobicContact CB-CE2 3.84Å; G544-Y546 VanDerWaalsContact C-N 3.29Å; G544-Y546 VanDerWaalsContact CA-CE1 3.44Å; G544-Y546 PolarHBondContact O-N 3.2Å; Y546-V548 HydrophobicContact CD2-CG2 4.05Å; Y546-V548 HydrophobicContact CE2-CG2 4.02Å
547H97.9Very high93.9Very high4 Ų432.7 Ų32.72%0.01917%0.17CC..EExtended strand (participates in β ladder)trans-83.6151.8169.2-69.9-46.4000110.9F452 P453 V454 L455 Y476 D578 A581 L582F452-H547 AromaticContact CE2-CD2 3.48Å; F452-H547 VanDerWaalsContact CE2-CD2 3.48Å; F452-H547 WeakPolarHBondContact CE2-CD2 3.31Å; F452-H547 AromaticContact CE2-NE2 3.77Å; F452-H547 AromaticContact CZ-CD2 3.95Å; F452-H547 AromaticContact CZ-NE2 3.81Å; P453-H547 PolarHBondContact O-N 2.86Å; V454-H547 CarbonylContact C-O 3.48Å; V454-H547 WeakPolarHBondContact CA-O 3.35Å; V454-H547 HydrophobicContact CB-CB 4.43Å; V454-H547 HydrophobicContact CG2-CB 4.19Å; L455-H547 PolarHBondContact N-O 2.85Å; Y476-H547 AromaticContact CD1-CD2 3.8Å; Y476-H547 AromaticContact CD2-CD2 3.66Å; Y476-H547 AromaticContact CE1-CD2 3.71Å; Y476-H547 AromaticContact CE1-NE2 3.75Å; Y476-H547 AromaticContact CE2-CD2 3.59Å; Y476-H547 AromaticContact CG-CD2 3.76Å; Y476-H547 AromaticContact CZ-CD2 3.61Å; Y476-H547 AromaticContact CZ-NE2 3.8Å; H547-D578 WeakPolarHBondContact CA-OD2 3.09Å; H547-D578 IonicContact CE1-OD1 3.97Å; H547-D578 IonicContact CG-OD1 2.83Å; H547-D578 IonicContact ND1-OD1 2.92Å; H547-D578 PolarHBondContact ND1-OD1 3.41Å; H547-D578 IonicContact ND1-OD2 2.68Å; H547-A581 WeakPolarHBondContact NE2-CB 3.32Å; H547-L582 HydrophobicContact CB-CD2 4.45Å
548V97.9Very high93.9Very high6 Ų631.1 Ų31.14%0.03616%0.164CC..EExtended strand (participates in β ladder)trans-116.3123.7174.9-1680000111.2L455 V457 A538 N539 Y546 Y550 D578 L582L455-V548 CarbonylContact O-C 3.52Å; L455-V548 WeakPolarHBondContact O-CA 3.32Å; V457-V548 HydrophobicContact CG2-CG1 4.01Å; A538-V548 HydrophobicContact CB-CG1 3.91Å; A538-V548 HydrophobicContact CB-CG2 4.03Å; N539-V548 HydrophobicContact CB-CG2 3.92Å; Y546-V548 HydrophobicContact CD2-CG2 4.05Å; Y546-V548 HydrophobicContact CE2-CG2 4.02Å; V548-Y550 HydrophobicContact CB-CE2 4.02Å; V548-Y550 HydrophobicContact CG1-CD1 4.49Å; V548-Y550 HydrophobicContact CG1-CD2 4.24Å; V548-Y550 HydrophobicContact CG1-CE1 3.85Å; V548-Y550 HydrophobicContact CG1-CE2 3.54Å; V548-Y550 WeakPolarHBondContact CG1-OH 3.43Å; V548-D578 PolarHBondContact N-OD2 3.34Å; V548-L582 WeakPolarHBondContact O-CD1 3.32Å
549R96.7Very high93.7Very high76 Ų7631 Ų3129%0.28716%0.163SC..EExtended strand (participates in β ladder)trans-104.4130.3173.9-174.7177.467.8164.1-4.5110.6V454 L455 S456 V457 L582V454-R549 HydrophobicContact CG2-CB 4.02Å; L455-R549 PolarHBondContact O-N 2.88Å; S456-R549 WeakPolarHBondContact CA-O 3.37Å; S456-R549 PolarHBondContact OG-NE 2.87Å; S456-R549 PolarHBondContact OG-NH2 2.97Å; V457-R549 PolarHBondContact N-O 2.8Å; R549-L582 HydrophobicContact CB-CD1 4.3Å; R549-L582 HydrophobicContact CB-CD2 4.45Å
550Y96.1Very high93.6Very high16 Ų1635.1 Ų35.16%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-115.8156.8171.8-55.3-82.3000109.8V457 I536 A538 V548 Q554 M555 L558 F575V457-Y550 HydrophobicContact CB-CD1 4.09Å; V457-Y550 HydrophobicContact CB-CE1 4.01Å; V457-Y550 HydrophobicContact CG1-CE1 4.47Å; V457-Y550 HydrophobicContact CG2-CE1 4.33Å; I536-Y550 WeakPolarHBondContact O-CE1 3.43Å; A538-Y550 PolarHBondContact N-OH 3.15Å; A538-Y550 PolarHBondContact O-OH 3.06Å; V548-Y550 HydrophobicContact CB-CE2 4.02Å; V548-Y550 HydrophobicContact CG1-CD1 4.49Å; V548-Y550 HydrophobicContact CG1-CD2 4.24Å; V548-Y550 HydrophobicContact CG1-CE1 3.85Å; V548-Y550 HydrophobicContact CG1-CE2 3.54Å; V548-Y550 WeakPolarHBondContact CG1-OH 3.43Å; Y550-Q554 HydrophobicContact CD1-CG 3.9Å; Y550-Q554 HydrophobicContact CG-CG 4.37Å; Y550-M555 HydrophobicContact CD2-CE 4.2Å; Y550-L558 HydrophobicContact CD1-CD1 3.84Å; Y550-L558 HydrophobicContact CD2-CD1 3.53Å; Y550-L558 HydrophobicContact CE1-CD1 3.81Å; Y550-L558 HydrophobicContact CE2-CD1 3.52Å; Y550-L558 HydrophobicContact CG-CD1 3.68Å; Y550-F575 HydrophobicContact CD2-CE2 4.48Å; Y550-F575 HydrophobicContact CE2-CE2 4.38Å
551D92.5Very high93.8Very high64 Ų6435.5 Ų35.534%0.34219%0.186SC..  trans-67.1165.6166.972.145.8000111.4L458 K553 Q554 M555L458-D551 WeakPolarHBondContact CD1-OD2 3.34Å; D551-K553 PolarHBondContact O-N 2.77Å; D551-K553 WeakPolarHBondContact OD1-CA 3.44Å; D551-K553 WeakPolarHBondContact OD1-CB 3.45Å; D551-K553 PolarHBondContact OD1-N 3.03Å; D551-Q554 PolarHBondContact O-N 3.01Å; D551-Q554 WeakPolarHBondContact OD1-CB 3Å; D551-Q554 PolarHBondContact OD1-N 2.76Å; D551-M555 VanDerWaalsContact O-CB 3.27Å; D551-M555 WeakPolarHBondContact O-CB 3.42Å; D551-M555 PolarHBondContact O-N 3.26Å
552S90.8Very high94.1Very high98 Ų9831.4 Ų31.469%0.68516%0.164SC*.Hα-helixtrans-60.8-29.9-176.3-54.20000113.7N556S552-N556 PolarHBondContact O-N 3.18Å; S552-N556 PolarHBondContact O-ND2 3.48Å
553K91.4Very high93.8Very high114 Ų11436 Ų3650%0.49618%0.184SC..Hα-helixtrans-75.4-48.3-178.3-165-176.8-162.6-168.20110D532 D551 M555 N556 N557D532-K553 VanDerWaalsContact CG-CE 3.41Å; D532-K553 WeakPolarHBondContact OD1-CD 3.46Å; D532-K553 WeakPolarHBondContact OD1-CE 3.5Å; D532-K553 IonicContact OD1-NZ 2.71Å; D532-K553 PolarHBondContact OD1-NZ 3.05Å; D532-K553 VanDerWaalsContact OD2-CE 3.26Å; D532-K553 WeakPolarHBondContact OD2-CE 3.37Å; D532-K553 IonicContact OD2-NZ 3.71Å; D532-K553 PolarHBondContact OD2-NZ 3.36Å; D551-K553 PolarHBondContact O-N 2.77Å; D551-K553 WeakPolarHBondContact OD1-CA 3.44Å; D551-K553 WeakPolarHBondContact OD1-CB 3.45Å; D551-K553 PolarHBondContact OD1-N 3.03Å; K553-M555 VanDerWaalsContact C-N 3.31Å; K553-M555 PolarHBondContact O-N 3.34Å; K553-N556 PolarHBondContact O-N 3.09Å; K553-N557 PolarHBondContact O-N 3.19Å
554Q92.3Very high93.5Very high14 Ų1439.1 Ų39.17%0.06520%0.199CC..Hα-helixtrans-65.2-36.2177.1-170.160.220.400111.7I536 Y550 D551 N557 L558I536-Q554 PolarHBondContact O-NE2 2.81Å; Y550-Q554 HydrophobicContact CD1-CG 3.9Å; Y550-Q554 HydrophobicContact CG-CG 4.37Å; D551-Q554 PolarHBondContact O-N 3.01Å; D551-Q554 WeakPolarHBondContact OD1-CB 3Å; D551-Q554 PolarHBondContact OD1-N 2.76Å; Q554-N557 PolarHBondContact O-N 3.37Å; Q554-L558 HydrophobicContact CG-CD1 4.38Å; Q554-L558 VanDerWaalsContact O-CG 3.32Å; Q554-L558 WeakPolarHBondContact O-CG 3.32Å; Q554-L558 PolarHBondContact O-N 2.98Å
555M93.8Very high93Very high18 Ų1840.6 Ų40.69%0.08921%0.214CC..Hα-helixtrans-57.6-48.3172.5-175.263.672.100111.6Y550 D551 K553 L558 V559 F575 W593Y550-M555 HydrophobicContact CD2-CE 4.2Å; D551-M555 VanDerWaalsContact O-CB 3.27Å; D551-M555 WeakPolarHBondContact O-CB 3.42Å; D551-M555 PolarHBondContact O-N 3.26Å; K553-M555 VanDerWaalsContact C-N 3.31Å; K553-M555 PolarHBondContact O-N 3.34Å; M555-L558 PolarHBondContact O-N 3.23Å; M555-V559 VanDerWaalsContact O-CG2 3.28Å; M555-V559 WeakPolarHBondContact O-CG2 3.33Å; M555-V559 PolarHBondContact O-N 3.48Å; M555-F575 HydrophobicContact CE-CE2 4.41Å; M555-F575 HydrophobicContact SD-CE1 4.44Å; M555-F575 HydrophobicContact SD-CE2 3.57Å; M555-F575 VanDerWaalsContact SD-CE2 3.57Å; M555-F575 HydrophobicContact SD-CZ 3.35Å; M555-F575 WeakPolarHBondContact SD-CZ 3.35Å; M555-W593 HydrophobicContact SD-CZ3 4.44Å
556N92.2Very high92.5Very high77 Ų7744.6 Ų44.641%0.41226%0.255SS..Hα-helixtrans-65-39.9177-74.4-56.7000112.2S552 K553 L558 V559 D560S552-N556 PolarHBondContact O-N 3.18Å; S552-N556 PolarHBondContact O-ND2 3.48Å; K553-N556 PolarHBondContact O-N 3.09Å; N556-L558 VanDerWaalsContact C-N 3.27Å; N556-L558 PolarHBondContact O-N 3.37Å; N556-V559 WeakPolarHBondContact O-CB 3.45Å; N556-V559 PolarHBondContact O-N 3.3Å; N556-D560 PolarHBondContact O-N 3.23Å
557N92.2Very high92.3Very high16 Ų1645.3 Ų45.39%0.08626%0.258CS..Hα-helixtrans-60.6-37.1174.4-72.3-24.8000112.1V535 K553 Q554 D560 D561V535-N557 HydrophobicContact CG2-CB 4.45Å; K553-N557 PolarHBondContact O-N 3.19Å; Q554-N557 PolarHBondContact O-N 3.37Å; N557-D560 PolarHBondContact O-N 3.01Å; N557-D561 WeakPolarHBondContact O-CB 3.28Å; N557-D561 PolarHBondContact O-N 3.07Å
558L94Very high92.1Very high0 Ų047.1 Ų47.10%027%0.271CS..Hα-helixtrans-70.8-37.1176.4-72.8165.5000112.3V535 R537 Y550 Q554 M555 N556 D560 D561 M562 W567 F575V535-L558 HydrophobicContact CG1-CD2 3.45Å; V535-L558 VanDerWaalsContact CG1-CD2 3.45Å; V535-L558 HydrophobicContact CG1-CG 4.23Å; R537-L558 HydrophobicContact CB-CD2 4.05Å; R537-L558 HydrophobicContact CG-CD2 4.44Å; Y550-L558 HydrophobicContact CD1-CD1 3.84Å; Y550-L558 HydrophobicContact CD2-CD1 3.53Å; Y550-L558 HydrophobicContact CE1-CD1 3.81Å; Y550-L558 HydrophobicContact CE2-CD1 3.52Å; Y550-L558 HydrophobicContact CG-CD1 3.68Å; Q554-L558 HydrophobicContact CG-CD1 4.38Å; Q554-L558 VanDerWaalsContact O-CG 3.32Å; Q554-L558 WeakPolarHBondContact O-CG 3.32Å; Q554-L558 PolarHBondContact O-N 2.98Å; M555-L558 PolarHBondContact O-N 3.23Å; N556-L558 VanDerWaalsContact C-N 3.27Å; N556-L558 PolarHBondContact O-N 3.37Å; L558-D560 VanDerWaalsContact C-N 3.32Å; L558-D561 PolarHBondContact O-N 3.33Å; L558-M562 VanDerWaalsContact O-CB 3.32Å; L558-M562 WeakPolarHBondContact O-CB 3.32Å; L558-M562 PolarHBondContact O-N 3.3Å; L558-W567 HydrophobicContact CB-CH2 4.38Å; L558-W567 HydrophobicContact CD2-CH2 3.9Å; L558-W567 HydrophobicContact CD2-CZ2 3.84Å; L558-F575 HydrophobicContact CB-CE2 4.01Å; L558-F575 HydrophobicContact CB-CZ 3.89Å; L558-F575 HydrophobicContact CD1-CE2 3.97Å
559V93.3Very high92Very high4 Ų447.8 Ų47.82%0.02428%0.275CS..Hα-helixtrans-57.6-49.11721740000109.5M555 N556 M562 K563 F575 T599 L600M555-V559 VanDerWaalsContact O-CG2 3.28Å; M555-V559 WeakPolarHBondContact O-CG2 3.33Å; M555-V559 PolarHBondContact O-N 3.48Å; N556-V559 WeakPolarHBondContact O-CB 3.45Å; N556-V559 PolarHBondContact O-N 3.3Å; V559-M562 PolarHBondContact O-N 3.19Å; V559-K563 WeakPolarHBondContact O-CG 3.32Å; V559-K563 PolarHBondContact O-N 3.38Å; V559-F575 HydrophobicContact CG2-CE1 4.5Å; V559-T599 HydrophobicContact CG1-CG2 4Å; V559-L600 HydrophobicContact CB-CD2 4.28Å; V559-L600 HydrophobicContact CG1-CD2 4Å; V559-L600 HydrophobicContact CG1-CG 4.47Å; V559-L600 HydrophobicContact CG2-CD2 3.91Å
560D91.3Very high91.9Very high89 Ų8944.6 Ų44.648%0.47626%0.264SS..Hα-helixtrans-63.7-44.9178.4-72-21.7000112N556 N557 L558 M562 K563 L564N556-D560 PolarHBondContact O-N 3.23Å; N557-D560 PolarHBondContact O-N 3.01Å; L558-D560 VanDerWaalsContact C-N 3.32Å; D560-M562 PolarHBondContact O-N 3.19Å; D560-K563 WeakPolarHBondContact O-CB 3.3Å; D560-K563 PolarHBondContact O-N 3.47Å; D560-L564 PolarHBondContact O-N 2.7Å
561D91.5Very high91.8Very high14 Ų1444 Ų448%0.07526%0.263CS..Hα-helixtrans-62.1-41.3178.6-17667.7000112.2R502 V535 N557 L558 K563 L564 W567R502-D561 WeakPolarHBondContact CD-OD1 3.33Å; V535-D561 HydrophobicContact CG1-CB 4.27Å; V535-D561 HydrophobicContact CG2-CB 4.41Å; N557-D561 WeakPolarHBondContact O-CB 3.28Å; N557-D561 PolarHBondContact O-N 3.07Å; L558-D561 PolarHBondContact O-N 3.33Å; D561-K563 VanDerWaalsContact C-N 3.28Å; D561-K563 PolarHBondContact O-N 3.2Å; D561-L564 WeakPolarHBondContact O-CB 3.48Å; D561-L564 PolarHBondContact O-N 3.22Å; D561-L564 VanDerWaalsContact O-N 3.13Å; D561-W567 PolarHBondContact OD2-NE1 3.13Å
562M92.3Very high92Very high11 Ų1142.5 Ų42.55%0.05425%0.252CS..Hα-helixtrans-60.3-39177.1-168.8-176.38300111.5L558 V559 D560 L564 G565 W567 R572 F575 L600L558-M562 VanDerWaalsContact O-CB 3.32Å; L558-M562 WeakPolarHBondContact O-CB 3.32Å; L558-M562 PolarHBondContact O-N 3.3Å; V559-M562 PolarHBondContact O-N 3.19Å; D560-M562 PolarHBondContact O-N 3.19Å; M562-L564 VanDerWaalsContact C-N 3.25Å; M562-L564 PolarHBondContact O-N 3.33Å; M562-G565 PolarHBondContact O-N 3Å; M562-W567 HydrophobicContact CB-CD2 4.09Å; M562-W567 HydrophobicContact CB-CE3 4.41Å; M562-W567 HydrophobicContact CB-CZ2 4.24Å; M562-W567 HydrophobicContact CG-CD2 3.88Å; M562-W567 HydrophobicContact CG-CE3 3.98Å; M562-W567 HydrophobicContact CG-CG 4.2Å; M562-W567 HydrophobicContact CG-CZ3 4.48Å; M562-W567 HydrophobicContact SD-CE3 4.36Å; M562-R572 HydrophobicContact CG-CG 3.98Å; M562-R572 HydrophobicContact SD-CB 4.1Å; M562-R572 HydrophobicContact SD-CG 3.92Å; M562-F575 HydrophobicContact SD-CD1 4.21Å; M562-L600 HydrophobicContact CE-CB 4.09Å; M562-L600 HydrophobicContact CE-CD2 3.42Å; M562-L600 VanDerWaalsContact CE-CD2 3.42Å; M562-L600 HydrophobicContact CE-CG 4.4Å; M562-L600 WeakPolarHBondContact CE-O 3.26Å; M562-L600 HydrophobicContact SD-CD2 4.24Å
563K88.4Confident92.2Very high98 Ų9837.9 Ų37.943%0.42622%0.22SC..Hα-helixtrans-66.6-24.9178.2-69.7-178.973.2171.70113.6V559 D560 D561 G565 T599 E602V559-K563 WeakPolarHBondContact O-CG 3.32Å; V559-K563 PolarHBondContact O-N 3.38Å; D560-K563 WeakPolarHBondContact O-CB 3.3Å; D560-K563 PolarHBondContact O-N 3.47Å; D561-K563 VanDerWaalsContact C-N 3.28Å; D561-K563 PolarHBondContact O-N 3.2Å; K563-G565 PolarHBondContact O-N 2.93Å; K563-T599 HydrophobicContact CD-CG2 3.85Å; K563-E602 WeakPolarHBondContact CE-OE2 3.43Å; K563-E602 IonicContact NZ-OE2 2.66Å; K563-E602 PolarHBondContact NZ-OE2 2.82Å
564L87.5Confident92.4Very high99 Ų9932.8 Ų32.852%0.51820%0.198SC..THydrogen-bonded Turntrans-71.4-7.4174.5-59.6175.3000112.3R502 D560 D561 M562R502-L564 VanDerWaalsContact NH1-C 3.32Å; R502-L564 PolarHBondContact NH1-O 3.32Å; R502-L564 VanDerWaalsContact NH1-O 3.1Å; R502-L564 PolarHBondContact NH2-O 3.32Å; D560-L564 PolarHBondContact O-N 2.7Å; D561-L564 WeakPolarHBondContact O-CB 3.48Å; D561-L564 PolarHBondContact O-N 3.22Å; D561-L564 VanDerWaalsContact O-N 3.13Å; M562-L564 VanDerWaalsContact C-N 3.25Å; M562-L564 PolarHBondContact O-N 3.33Å
565G85.9Confident92.6Very high31 Ų3132.9 Ų32.932%0.3220%0.199SC..SBendtrans85.7-174177.700000114R502 M562 K563 W567R502-G565 PolarHBondContact NH1-O 2.9Å; M562-G565 PolarHBondContact O-N 3Å; K563-G565 PolarHBondContact O-N 2.93Å; G565-W567 VanDerWaalsContact C-N 3.28Å; G565-W567 PolarHBondContact O-N 3.34Å
566G87.4Confident92.7Very high85 Ų8532.1 Ų32.188%0.87620%0.195SC*.  trans81.3-5.3175.400000116
567W92.8Very high92.9Very high17 Ų1729.2 Ų29.26%0.06418%0.179CC..  trans-74.2138.6167.6-74.842.6000110.2R537 L558 D561 M562 G565 R572 F575R537-W567 VanDerWaalsContact CD-CH2 3.41Å; R537-W567 HydrophobicContact CG-CH2 4.21Å; R537-W567 HydrophobicContact CG-CZ2 4.49Å; R537-W567 VanDerWaalsContact NH1-CE2 3.27Å; R537-W567 VanDerWaalsContact NH1-CE3 3.34Å; L558-W567 HydrophobicContact CB-CH2 4.38Å; L558-W567 HydrophobicContact CD2-CH2 3.9Å; L558-W567 HydrophobicContact CD2-CZ2 3.84Å; D561-W567 PolarHBondContact OD2-NE1 3.13Å; M562-W567 HydrophobicContact CB-CD2 4.09Å; M562-W567 HydrophobicContact CB-CE3 4.41Å; M562-W567 HydrophobicContact CB-CZ2 4.24Å; M562-W567 HydrophobicContact CG-CD2 3.88Å; M562-W567 HydrophobicContact CG-CE3 3.98Å; M562-W567 HydrophobicContact CG-CG 4.2Å; M562-W567 HydrophobicContact CG-CZ3 4.48Å; M562-W567 HydrophobicContact SD-CE3 4.36Å; G565-W567 VanDerWaalsContact C-N 3.28Å; G565-W567 PolarHBondContact O-N 3.34Å; W567-R572 HydrophobicContact CB-CG 3.58Å; W567-R572 HydrophobicContact CE3-CG 4.15Å; W567-R572 HydrophobicContact CG-CG 4.4Å; W567-R572 PolarHBondContact O-NH1 2.75Å; W567-F575 HydrophobicContact CH2-CD2 4.46Å; W567-F575 HydrophobicContact CH2-CG 4.41Å; W567-F575 HydrophobicContact CZ3-CB 3.94Å; W567-F575 HydrophobicContact CZ3-CD1 4.44Å; W567-F575 HydrophobicContact CZ3-CD2 4.44Å; W567-F575 HydrophobicContact CZ3-CG 4.04Å
568S94Very high93.1Very high43 Ų4328.8 Ų28.830%0.30118%0.177SC..  trans-66.4156.6172.6830000110.3S570 S571 R572S568-S570 PolarHBondContact O-N 2.61Å; S568-S571 PolarHBondContact N-OG 2.92Å; S568-S571 VanDerWaalsContact N-OG 3.11Å; S568-S571 VanDerWaalsContact O-CB 3.32Å; S568-S571 WeakPolarHBondContact O-CB 3.37Å; S568-S571 PolarHBondContact O-N 2.82Å; S568-S571 PolarHBondContact O-OG 3.37Å; S568-S571 PolarHBondContact OG-N 3.29Å; S568-S571 VanDerWaalsContact OG-N 3.07Å; S568-S571 PolarHBondContact OG-OG 3.31Å; S568-R572 WeakPolarHBondContact O-CG 3.37Å; S568-R572 PolarHBondContact O-N 3Å; S568-R572 VanDerWaalsContact O-N 3.11Å
569T94.9Very high93.2Very high19 Ų1928.8 Ų28.812%0.11718%0.177CC..Hα-helixtrans-56.5-41.1177.1-62.40000111.1T346 S571 R572 F573 D606 V609T346-T569 HydrophobicContact CG2-CG2 3.99Å; T569-S571 PolarHBondContact O-N 3.36Å; T569-R572 PolarHBondContact O-N 3.06Å; T569-F573 WeakPolarHBondContact O-CB 3.22Å; T569-F573 PolarHBondContact O-N 3.46Å; T569-D606 HydrophobicContact CG2-CB 3.73Å; T569-D606 PolarHBondContact OG1-OD1 2.98Å; T569-V609 HydrophobicContact CG2-CG2 4.04Å
570S95.1Very high93.5Very high9 Ų929.2 Ų29.26%0.06318%0.179CC..Hα-helixtrans-63.4-38.3174.3-600000113S349 S568 R572 F573 V574S349-S570 WeakPolarHBondContact OG-CB 3.37Å; S349-S570 PolarHBondContact OG-OG 3.15Å; S349-S570 VanDerWaalsContact OG-OG 3.11Å; S568-S570 PolarHBondContact O-N 2.61Å; S570-R572 PolarHBondContact O-N 2.8Å; S570-F573 PolarHBondContact O-N 3.35Å; S570-V574 PolarHBondContact O-N 3.39Å
571S94.8Very high93.7Very high4 Ų425.7 Ų25.73%0.02816%0.162CC..Hα-helixtrans-59.2-48.4175.2-37.40000111.2A540 S568 T569 F575A540-S571 WeakPolarHBondContact O-CA 3.32Å; A540-S571 WeakPolarHBondContact O-CB 3.38Å; A540-S571 PolarHBondContact O-OG 2.87Å; S568-S571 PolarHBondContact N-OG 2.92Å; S568-S571 VanDerWaalsContact N-OG 3.11Å; S568-S571 VanDerWaalsContact O-CB 3.32Å; S568-S571 WeakPolarHBondContact O-CB 3.37Å; S568-S571 PolarHBondContact O-N 2.82Å; S568-S571 PolarHBondContact O-OG 3.37Å; S568-S571 PolarHBondContact OG-N 3.29Å; S568-S571 VanDerWaalsContact OG-N 3.07Å; S568-S571 PolarHBondContact OG-OG 3.31Å; T569-S571 PolarHBondContact O-N 3.36Å; S571-F575 WeakPolarHBondContact O-CB 3.28Å; S571-F575 PolarHBondContact O-N 3.03Å
572R96.1Very high94Very high33 Ų3325.1 Ų25.113%0.12516%0.159CC..Hα-helixtrans-68.9-42-176.1-58.4-168.3-47.4-862.7110.3M562 W567 S568 T569 S570 F575 I576 E604 D606 V609M562-R572 HydrophobicContact CG-CG 3.98Å; M562-R572 HydrophobicContact SD-CB 4.1Å; M562-R572 HydrophobicContact SD-CG 3.92Å; W567-R572 HydrophobicContact CB-CG 3.58Å; W567-R572 HydrophobicContact CE3-CG 4.15Å; W567-R572 HydrophobicContact CG-CG 4.4Å; W567-R572 PolarHBondContact O-NH1 2.75Å; S568-R572 WeakPolarHBondContact O-CG 3.37Å; S568-R572 PolarHBondContact O-N 3Å; S568-R572 VanDerWaalsContact O-N 3.11Å; T569-R572 PolarHBondContact O-N 3.06Å; S570-R572 PolarHBondContact O-N 2.8Å; R572-F575 PolarHBondContact O-N 3.49Å; R572-I576 WeakPolarHBondContact O-CG1 3.45Å; R572-I576 PolarHBondContact O-N 3Å; R572-I576 VanDerWaalsContact O-N 3.1Å; R572-E604 IonicContact CZ-OE2 3.59Å; R572-E604 IonicContact NE-OE2 2.78Å; R572-E604 PolarHBondContact NE-OE2 2.96Å; R572-E604 IonicContact NH2-OE1 3.49Å; R572-E604 PolarHBondContact NH2-OE1 2.88Å; R572-E604 IonicContact NH2-OE2 3.59Å; R572-E604 PolarHBondContact NH2-OE2 3.4Å; R572-E604 VanDerWaalsContact NH2-OE2 3.12Å; R572-D606 IonicContact CZ-OD2 2.89Å; R572-D606 VanDerWaalsContact NH2-CG 3.29Å; R572-D606 IonicContact NH2-OD2 3.53Å; R572-D606 PolarHBondContact NH2-OD2 3.45Å; R572-V609 HydrophobicContact CB-CG2 4.03Å
573F96Very high94.2Very high1 Ų124.6 Ų24.60%0.00416%0.156CC..Hα-helixtrans-56.2-54.8173.6171.7-92.3000112S349 Y350 A354 T569 S570 F575 I576 N577 S608 V609S349-F573 VanDerWaalsContact CB-CD1 3.41Å; S349-F573 WeakPolarHBondContact O-CE1 3.35Å; Y350-F573 VanDerWaalsContact CA-CZ 3.43Å; Y350-F573 AromaticContact CD2-CE2 3.82Å; Y350-F573 HydrophobicContact CD2-CE2 3.82Å; Y350-F573 AromaticContact CD2-CZ 3.99Å; Y350-F573 HydrophobicContact CD2-CZ 3.99Å; Y350-F573 HydrophobicContact CG-CE2 4.18Å; Y350-F573 HydrophobicContact CG-CZ 4.34Å; A354-F573 HydrophobicContact CB-CE1 3.99Å; A354-F573 HydrophobicContact CB-CZ 3.73Å; T569-F573 WeakPolarHBondContact O-CB 3.22Å; T569-F573 PolarHBondContact O-N 3.46Å; S570-F573 PolarHBondContact O-N 3.35Å; F573-F575 VanDerWaalsContact C-N 3.34Å; F573-F575 PolarHBondContact O-N 2.84Å; F573-I576 PolarHBondContact O-N 3.39Å; F573-N577 HydrophobicContact CE1-CB 4.11Å; F573-N577 HydrophobicContact CZ-CB 4.11Å; F573-N577 VanDerWaalsContact O-CB 3.28Å; F573-N577 WeakPolarHBondContact O-CB 3.45Å; F573-N577 PolarHBondContact O-N 3.11Å; F573-S608 VanDerWaalsContact CD2-O 3.22Å; F573-S608 WeakPolarHBondContact CD2-O 3.42Å; F573-V609 HydrophobicContact CB-CG2 4.33Å
574V95.6Very high94.5Very high7 Ų721.9 Ų21.94%0.04215%0.145CC..Hα-helixtrans-62.2-42.9-177.1140.90000111.2L353 A542 S570 I576 N577 D578L353-V574 HydrophobicContact CD2-CG2 3.65Å; A542-V574 HydrophobicContact CB-CB 4Å; A542-V574 HydrophobicContact CB-CG2 3.42Å; A542-V574 VanDerWaalsContact CB-CG2 3.42Å; S570-V574 PolarHBondContact O-N 3.39Å; V574-I576 VanDerWaalsContact C-N 3.31Å; V574-I576 PolarHBondContact O-N 3.33Å; V574-N577 PolarHBondContact O-N 3.07Å; V574-D578 VanDerWaalsContact O-CB 3.3Å; V574-D578 WeakPolarHBondContact O-CB 3.44Å; V574-D578 VanDerWaalsContact O-CG 3.27Å; V574-D578 PolarHBondContact O-N 3.42Å
575F95.9Very high94.9Very high16 Ų1618 Ų187%0.0713%0.127CC..Hα-helixtrans-59.3-42.9178.9-179.6-108.9000112.2Y550 M555 L558 V559 M562 W567 S571 R572 F573 G579 L600Y550-F575 HydrophobicContact CD2-CE2 4.48Å; Y550-F575 HydrophobicContact CE2-CE2 4.38Å; M555-F575 HydrophobicContact CE-CE2 4.41Å; M555-F575 HydrophobicContact SD-CE1 4.44Å; M555-F575 HydrophobicContact SD-CE2 3.57Å; M555-F575 VanDerWaalsContact SD-CE2 3.57Å; M555-F575 HydrophobicContact SD-CZ 3.35Å; M555-F575 WeakPolarHBondContact SD-CZ 3.35Å; L558-F575 HydrophobicContact CB-CE2 4.01Å; L558-F575 HydrophobicContact CB-CZ 3.89Å; L558-F575 HydrophobicContact CD1-CE2 3.97Å; V559-F575 HydrophobicContact CG2-CE1 4.5Å; M562-F575 HydrophobicContact SD-CD1 4.21Å; W567-F575 HydrophobicContact CH2-CD2 4.46Å; W567-F575 HydrophobicContact CH2-CG 4.41Å; W567-F575 HydrophobicContact CZ3-CB 3.94Å; W567-F575 HydrophobicContact CZ3-CD1 4.44Å; W567-F575 HydrophobicContact CZ3-CD2 4.44Å; W567-F575 HydrophobicContact CZ3-CG 4.04Å; S571-F575 WeakPolarHBondContact O-CB 3.28Å; S571-F575 PolarHBondContact O-N 3.03Å; R572-F575 PolarHBondContact O-N 3.49Å; F573-F575 VanDerWaalsContact C-N 3.34Å; F573-F575 PolarHBondContact O-N 2.84Å; F575-G579 PolarHBondContact O-N 3.26Å; F575-L600 HydrophobicContact CD1-CD2 4.37Å; F575-L600 HydrophobicContact CE1-CD2 3.84Å
576I96.2Very high95.2Very high1 Ų118.6 Ų18.61%0.00513%0.133CC..Hα-helixtrans-71.8-42.7178-71.2164.3000111.7R572 F573 V574 D578 G579 F580 W593 L600 M601 V609 V613R572-I576 WeakPolarHBondContact O-CG1 3.45Å; R572-I576 PolarHBondContact O-N 3Å; R572-I576 VanDerWaalsContact O-N 3.1Å; F573-I576 PolarHBondContact O-N 3.39Å; V574-I576 VanDerWaalsContact C-N 3.31Å; V574-I576 PolarHBondContact O-N 3.33Å; I576-D578 VanDerWaalsContact C-N 3.31Å; I576-D578 PolarHBondContact O-N 2.93Å; I576-G579 PolarHBondContact O-N 2.75Å; I576-F580 HydrophobicContact CG2-CD2 4.23Å; I576-F580 HydrophobicContact CG2-CE2 4.04Å; I576-F580 WeakPolarHBondContact O-CD2 3.41Å; I576-F580 PolarHBondContact O-N 3.01Å; I576-W593 HydrophobicContact CB-CZ2 4.37Å; I576-W593 HydrophobicContact CG2-CZ2 4.2Å; I576-W593 VanDerWaalsContact O-CZ2 3.28Å; I576-W593 WeakPolarHBondContact O-CZ2 3.41Å; I576-L600 HydrophobicContact CG1-CD1 4.46Å; I576-M601 HydrophobicContact CD1-SD 3.98Å; I576-V609 HydrophobicContact CD1-CG1 3.49Å; I576-V609 VanDerWaalsContact CD1-CG1 3.49Å; I576-V613 HydrophobicContact CD1-CG2 4.42Å; I576-V613 HydrophobicContact CG2-CG2 3.59Å
577N96.1Very high95.5Very high17 Ų1717.8 Ų17.89%0.09110%0.104CC..Hα-helixtrans-60.5-41.9177.2179.580.5000111.4F573 V574 G579 F580 A581F573-N577 HydrophobicContact CE1-CB 4.11Å; F573-N577 HydrophobicContact CZ-CB 4.11Å; F573-N577 VanDerWaalsContact O-CB 3.28Å; F573-N577 WeakPolarHBondContact O-CB 3.45Å; F573-N577 PolarHBondContact O-N 3.11Å; V574-N577 PolarHBondContact O-N 3.07Å; N577-G579 VanDerWaalsContact C-N 3.34Å; N577-G579 PolarHBondContact O-N 3.26Å; N577-F580 PolarHBondContact O-N 3.13Å; N577-A581 WeakPolarHBondContact O-CB 3.29Å; N577-A581 PolarHBondContact O-N 3.39Å
578D96.8Very high95.6Very high6 Ų619 Ų193%0.03211%0.111CC..Hα-helixtrans-61.2-41.3175.6-79.110.9000111.3H547 V548 V574 I576 F580 A581 L582H547-D578 WeakPolarHBondContact CA-OD2 3.09Å; H547-D578 IonicContact CE1-OD1 3.97Å; H547-D578 IonicContact CG-OD1 2.83Å; H547-D578 IonicContact ND1-OD1 2.92Å; H547-D578 PolarHBondContact ND1-OD1 3.41Å; H547-D578 IonicContact ND1-OD2 2.68Å; V548-D578 PolarHBondContact N-OD2 3.34Å; V574-D578 VanDerWaalsContact O-CB 3.3Å; V574-D578 WeakPolarHBondContact O-CB 3.44Å; V574-D578 VanDerWaalsContact O-CG 3.27Å; V574-D578 PolarHBondContact O-N 3.42Å; I576-D578 VanDerWaalsContact C-N 3.31Å; I576-D578 PolarHBondContact O-N 2.93Å; D578-F580 VanDerWaalsContact C-N 3.34Å; D578-F580 PolarHBondContact O-N 3.1Å; D578-A581 PolarHBondContact O-N 3.01Å; D578-L582 HydrophobicContact CB-CD1 4.48Å; D578-L582 VanDerWaalsContact O-CB 3.23Å; D578-L582 WeakPolarHBondContact O-CB 3.33Å; D578-L582 WeakPolarHBondContact O-CG 3.36Å; D578-L582 PolarHBondContact O-N 3.26Å
579G96.6Very high95.6Very high1 Ų118.7 Ų18.71%0.0111%0.109CC..Hα-helixtrans-59-43.3175.800000113F575 I576 N577 A583 I588F575-G579 PolarHBondContact O-N 3.26Å; I576-G579 PolarHBondContact O-N 2.75Å; N577-G579 VanDerWaalsContact C-N 3.34Å; N577-G579 PolarHBondContact O-N 3.26Å; G579-A583 WeakPolarHBondContact O-CB 3.46Å; G579-A583 PolarHBondContact O-N 2.73Å; G579-I588 WeakPolarHBondContact O-CD1 3.27Å
580F97.7Very high95.8Very high12 Ų1217.9 Ų17.95%0.05310%0.104CC..Hα-helixtrans-65.1-43.8173.5-78.6-72.7000112.6I576 N577 D578 A583 K584 W593 L597 L617 Y620 I621I576-F580 HydrophobicContact CG2-CD2 4.23Å; I576-F580 HydrophobicContact CG2-CE2 4.04Å; I576-F580 WeakPolarHBondContact O-CD2 3.41Å; I576-F580 PolarHBondContact O-N 3.01Å; N577-F580 PolarHBondContact O-N 3.13Å; D578-F580 VanDerWaalsContact C-N 3.34Å; D578-F580 PolarHBondContact O-N 3.1Å; F580-A583 PolarHBondContact O-N 3.12Å; F580-K584 WeakPolarHBondContact O-CB 3.34Å; F580-K584 PolarHBondContact O-N 3.36Å; F580-W593 AromaticContact CD1-NE1 3.89Å; F580-W593 AromaticContact CD2-NE1 3.63Å; F580-W593 AromaticContact CE1-NE1 4Å; F580-W593 AromaticContact CE2-NE1 3.72Å; F580-W593 AromaticContact CG-NE1 3.72Å; F580-W593 AromaticContact CZ-NE1 3.92Å; F580-L597 HydrophobicContact CE2-CD1 4.42Å; F580-L597 HydrophobicContact CZ-CD1 4.49Å; F580-L597 HydrophobicContact CZ-CD2 3.95Å; F580-L617 HydrophobicContact CE1-CD2 4.1Å; F580-L617 HydrophobicContact CE1-CG 4.4Å; F580-L617 HydrophobicContact CZ-CD2 4.06Å; F580-L617 HydrophobicContact CZ-CG 4.04Å; F580-Y620 HydrophobicContact CD1-CD1 4.23Å; F580-I621 HydrophobicContact CE1-CG1 4.36Å
581A97Very high95.9Very high16 Ų1619.6 Ų19.613%0.13211%0.109CC..Hα-helixtrans-62.8-52.2179.900000111.3Y476 H547 N577 D578 A583 K584 A585Y476-A581 VanDerWaalsContact OH-C 3.23Å; Y476-A581 WeakPolarHBondContact OH-CB 3.41Å; Y476-A581 PolarHBondContact OH-O 3.34Å; H547-A581 WeakPolarHBondContact NE2-CB 3.32Å; N577-A581 WeakPolarHBondContact O-CB 3.29Å; N577-A581 PolarHBondContact O-N 3.39Å; D578-A581 PolarHBondContact O-N 3.01Å; A581-A583 VanDerWaalsContact C-N 3.32Å; A581-A583 PolarHBondContact O-N 3.35Å; A581-K584 PolarHBondContact O-N 3.06Å; A581-K584 VanDerWaalsContact O-N 3.15Å; A581-A585 PolarHBondContact O-N 3.36Å
582L96.9Very high95.9Very high1 Ų123.7 Ų23.71%0.00513%0.131CC..Hα-helixtrans-60.5-39.3178.1-67.1173.1000111.9V454 Y476 H547 V548 R549 D578 G586 Y587 I588V454-L582 HydrophobicContact CG2-CD2 3.87Å; Y476-L582 HydrophobicContact CE2-CD2 4.4Å; H547-L582 HydrophobicContact CB-CD2 4.45Å; V548-L582 WeakPolarHBondContact O-CD1 3.32Å; R549-L582 HydrophobicContact CB-CD1 4.3Å; R549-L582 HydrophobicContact CB-CD2 4.45Å; D578-L582 HydrophobicContact CB-CD1 4.48Å; D578-L582 VanDerWaalsContact O-CB 3.23Å; D578-L582 WeakPolarHBondContact O-CB 3.33Å; D578-L582 WeakPolarHBondContact O-CG 3.36Å; D578-L582 PolarHBondContact O-N 3.26Å; L582-G586 PolarHBondContact O-N 3.23Å; L582-Y587 HydrophobicContact CD2-CD2 3.96Å; L582-Y587 HydrophobicContact CD2-CG 4.03Å; L582-Y587 PolarHBondContact O-N 2.79Å; L582-I588 HydrophobicContact CB-CD1 4.11Å; L582-I588 HydrophobicContact CB-CG1 3.91Å; L582-I588 HydrophobicContact CB-CG2 4.39Å; L582-I588 PolarHBondContact O-N 2.62Å
583A96.3Very high96Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-64.1-47.3174.600000111G579 F580 A581 A585 G586 I588 V590 Y620 R875G579-A583 WeakPolarHBondContact O-CB 3.46Å; G579-A583 PolarHBondContact O-N 2.73Å; F580-A583 PolarHBondContact O-N 3.12Å; A581-A583 VanDerWaalsContact C-N 3.32Å; A581-A583 PolarHBondContact O-N 3.35Å; A583-A585 VanDerWaalsContact C-N 3.33Å; A583-A585 PolarHBondContact O-N 2.9Å; A583-G586 PolarHBondContact O-N 3.2Å; A583-I588 HydrophobicContact CB-CD1 4.38Å; A583-I588 HydrophobicContact CB-CG1 3.92Å; A583-V590 HydrophobicContact CB-CB 4.27Å; A583-Y620 HydrophobicContact CB-CE1 4.24Å; A583-R875 PolarHBondContact O-NH2 3.35Å
584K95.9Very high96Very high42 Ų4222.3 Ų22.318%0.18313%0.125CC..Hα-helixtrans-61.7-39.1178.5-169.5178.6179.1-178.90112.2L478 F580 A581 G586 Y620 V872 R875L478-K584 HydrophobicContact CD2-CB 4.36Å; L478-K584 HydrophobicContact CD2-CD 3.93Å; L478-K584 HydrophobicContact CD2-CG 3.9Å; F580-K584 WeakPolarHBondContact O-CB 3.34Å; F580-K584 PolarHBondContact O-N 3.36Å; A581-K584 PolarHBondContact O-N 3.06Å; A581-K584 VanDerWaalsContact O-N 3.15Å; K584-G586 VanDerWaalsContact C-N 3.29Å; K584-G586 PolarHBondContact O-N 3.5Å; K584-Y620 HydrophobicContact CB-CD1 4.13Å; K584-Y620 HydrophobicContact CB-CE1 3.85Å; K584-Y620 HydrophobicContact CB-CE2 4.33Å; K584-Y620 HydrophobicContact CB-CG 4.48Å; K584-Y620 HydrophobicContact CD-CD2 4.43Å; K584-Y620 HydrophobicContact CD-CG 4.36Å; K584-Y620 HydrophobicContact CG-CD2 4.19Å; K584-Y620 HydrophobicContact CG-CE1 4.48Å; K584-Y620 HydrophobicContact CG-CE2 4.15Å; K584-Y620 HydrophobicContact CG-CG 4.39Å; K584-V872 HydrophobicContact CG-CG2 4.16Å; K584-R875 PolarHBondContact O-NH1 3.34Å; K584-R875 PolarHBondContact O-NH2 3Å
585A94.4Very high96.1Very high18 Ų1824.4 Ų24.415%0.14914%0.136CC..Hα-helixtrans-76.6-12.6174.800000113.7Y476 L478 A581 A583 Y587Y476-A585 HydrophobicContact CE2-CB 3.63Å; L478-A585 HydrophobicContact CD2-CB 4.43Å; A581-A585 PolarHBondContact O-N 3.36Å; A583-A585 VanDerWaalsContact C-N 3.33Å; A583-A585 PolarHBondContact O-N 2.9Å; A585-Y587 HydrophobicContact CB-CD2 3.57Å; A585-Y587 HydrophobicContact CB-CE2 3.74Å
586G93.1Very high96Very high42 Ų4225.3 Ų25.343%0.43314%0.141SC..THydrogen-bonded Turntrans84.516.2178.700000114.7L582 A583 K584 I588 R875L582-G586 PolarHBondContact O-N 3.23Å; A583-G586 PolarHBondContact O-N 3.2Å; K584-G586 VanDerWaalsContact C-N 3.29Å; K584-G586 PolarHBondContact O-N 3.5Å; G586-I588 VanDerWaalsContact C-N 3.35Å; G586-R875 VanDerWaalsContact CA-NH1 3.28Å
587Y93.4Very high96Very high69 Ų6925.2 Ų25.227%0.27114%0.141SC..SBendtrans-73.8-28.8172-73.4-79.7000112.4V454 Y476 L582 A585V454-Y587 HydrophobicContact CG1-CE1 4.18Å; Y476-Y587 HydrophobicContact CD2-CD2 4.29Å; Y476-Y587 AromaticContact CD2-CE2 3.71Å; Y476-Y587 HydrophobicContact CD2-CE2 3.71Å; Y476-Y587 HydrophobicContact CE2-CD2 4.07Å; Y476-Y587 AromaticContact CE2-CE2 3.85Å; Y476-Y587 HydrophobicContact CE2-CE2 3.85Å; L582-Y587 HydrophobicContact CD2-CD2 3.96Å; L582-Y587 HydrophobicContact CD2-CG 4.03Å; L582-Y587 PolarHBondContact O-N 2.79Å; A585-Y587 HydrophobicContact CB-CD2 3.57Å; A585-Y587 HydrophobicContact CB-CE2 3.74Å
588I94.4Very high95.9Very high42 Ų4226.2 Ų26.222%0.21515%0.148CC..SBendtrans-131.7165172.668.5174.1000110.1G579 L582 A583 G586 W593G579-I588 WeakPolarHBondContact O-CD1 3.27Å; L582-I588 HydrophobicContact CB-CD1 4.11Å; L582-I588 HydrophobicContact CB-CG1 3.91Å; L582-I588 HydrophobicContact CB-CG2 4.39Å; L582-I588 PolarHBondContact O-N 2.62Å; A583-I588 HydrophobicContact CB-CD1 4.38Å; A583-I588 HydrophobicContact CB-CG1 3.92Å; G586-I588 VanDerWaalsContact C-N 3.35Å; I588-W593 HydrophobicContact CD1-CB 4.3Å; I588-W593 HydrophobicContact CD1-CD2 4.45Å; I588-W593 HydrophobicContact CD1-CE3 4.21Å; I588-W593 HydrophobicContact CD1-CG 4.49Å
589S95.4Very high95.7Very high37 Ų3728.5 Ų28.526%0.25916%0.163SC..  trans-76.5127.2176.8174.70000111.4Y591 D592 W593S589-Y591 PolarHBondContact O-N 3.06Å; S589-Y591 PolarHBondContact OG-N 3.42Å; S589-D592 WeakPolarHBondContact CB-OD2 3.47Å; S589-D592 PolarHBondContact O-N 3.39Å; S589-D592 PolarHBondContact OG-N 2.89Å; S589-D592 PolarHBondContact OG-OD2 3.31Å; S589-W593 PolarHBondContact O-N 2.86Å
590V97.3Very high95.6Very high2 Ų228.7 Ų28.71%0.01216%0.163CC..Hα-helixtrans-62.4-29.7171.668.70000112.1A583 L594 Y620 I621 D876 L879 I880A583-V590 HydrophobicContact CB-CB 4.27Å; V590-L594 HydrophobicContact CG2-CD1 4.18Å; V590-L594 HydrophobicContact CG2-CG 4.35Å; V590-L594 WeakPolarHBondContact O-CB 3.33Å; V590-L594 VanDerWaalsContact O-CG 3.26Å; V590-L594 WeakPolarHBondContact O-CG 3.34Å; V590-L594 PolarHBondContact O-N 3.02Å; V590-Y620 HydrophobicContact CG2-CE1 4.04Å; V590-I621 HydrophobicContact CG2-CD1 3.76Å; V590-D876 HydrophobicContact CG1-CB 4.03Å; V590-L879 HydrophobicContact CG1-CB 3.52Å; V590-L879 HydrophobicContact CG1-CD1 3.92Å; V590-L879 HydrophobicContact CG1-CG 4.38Å; V590-I880 HydrophobicContact CG1-CG1 4.12Å; V590-I880 HydrophobicContact CG2-CD1 4.33Å; V590-I880 HydrophobicContact CG2-CG1 3.95Å
591Y97.8Very high95.4Very high45 Ų4528.6 Ų28.618%0.17616%0.163CC..Hα-helixtrans-62.7-54.2174.2173.8-89.3000109.9S589 W593 L594 I595 K882 A883 T886S589-Y591 PolarHBondContact O-N 3.06Å; S589-Y591 PolarHBondContact OG-N 3.42Å; Y591-W593 VanDerWaalsContact C-N 3.29Å; Y591-W593 PolarHBondContact O-N 2.88Å; Y591-L594 PolarHBondContact O-N 3.14Å; Y591-I595 HydrophobicContact CD1-CG1 4.15Å; Y591-I595 HydrophobicContact CE1-CG1 3.76Å; Y591-I595 HydrophobicContact CE2-CD1 4.19Å; Y591-I595 HydrophobicContact CE2-CG1 4.18Å; Y591-I595 WeakPolarHBondContact O-CG1 3.27Å; Y591-I595 PolarHBondContact O-N 3.09Å; Y591-K882 HydrophobicContact CD2-CB 4.06Å; Y591-K882 HydrophobicContact CD2-CD 4.01Å; Y591-K882 HydrophobicContact CD2-CG 4.03Å; Y591-K882 HydrophobicContact CE2-CB 4.17Å; Y591-K882 HydrophobicContact CE2-CD 3.84Å; Y591-K882 HydrophobicContact CE2-CG 3.7Å; Y591-A883 HydrophobicContact CD2-CB 3.63Å; Y591-A883 HydrophobicContact CE2-CB 4.13Å; Y591-A883 HydrophobicContact CG-CB 4.4Å; Y591-T886 PolarHBondContact OH-OG1 2.9Å
592D95.7Very high95.1Very high90 Ų9032.8 Ų32.848%0.48118%0.18SC..Hα-helixtrans-62.2-40.1-176.4-61.5-34.2000111.1S589 I595 L596S589-D592 WeakPolarHBondContact CB-OD2 3.47Å; S589-D592 PolarHBondContact O-N 3.39Å; S589-D592 PolarHBondContact OG-N 2.89Å; S589-D592 PolarHBondContact OG-OD2 3.31Å; D592-I595 PolarHBondContact O-N 3.45Å; D592-L596 WeakPolarHBondContact O-CG 3.3Å; D592-L596 PolarHBondContact O-N 3.17Å; D592-L596 VanDerWaalsContact O-N 3.15Å
593W96.8Very high94.8Very high4 Ų438.1 Ų38.12%0.01521%0.208CC..Hα-helixtrans-62.6-45.4176.6-172.9-115.7000112.9M555 I576 F580 I588 S589 Y591 I595 L596 L597 L600M555-W593 HydrophobicContact SD-CZ3 4.44Å; I576-W593 HydrophobicContact CB-CZ2 4.37Å; I576-W593 HydrophobicContact CG2-CZ2 4.2Å; I576-W593 VanDerWaalsContact O-CZ2 3.28Å; I576-W593 WeakPolarHBondContact O-CZ2 3.41Å; F580-W593 AromaticContact CD1-NE1 3.89Å; F580-W593 AromaticContact CD2-NE1 3.63Å; F580-W593 AromaticContact CE1-NE1 4Å; F580-W593 AromaticContact CE2-NE1 3.72Å; F580-W593 AromaticContact CG-NE1 3.72Å; F580-W593 AromaticContact CZ-NE1 3.92Å; I588-W593 HydrophobicContact CD1-CB 4.3Å; I588-W593 HydrophobicContact CD1-CD2 4.45Å; I588-W593 HydrophobicContact CD1-CE3 4.21Å; I588-W593 HydrophobicContact CD1-CG 4.49Å; S589-W593 PolarHBondContact O-N 2.86Å; Y591-W593 VanDerWaalsContact C-N 3.29Å; Y591-W593 PolarHBondContact O-N 2.88Å; W593-I595 VanDerWaalsContact C-N 3.32Å; W593-I595 PolarHBondContact O-N 3.48Å; W593-L596 PolarHBondContact O-N 3.43Å; W593-L597 PolarHBondContact O-N 3.35Å; W593-L597 VanDerWaalsContact O-N 3.16Å; W593-L600 HydrophobicContact CH2-CD1 3.52Å; W593-L600 HydrophobicContact CZ2-CD1 4.03Å; W593-L600 HydrophobicContact CZ3-CD1 3.9Å
594L97.3Very high94.8Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-65.4-34.3177.6-72.9176.9000112.6V590 Y591 L596 L597 P598 L617 I621 I880 A883 L887V590-L594 HydrophobicContact CG2-CD1 4.18Å; V590-L594 HydrophobicContact CG2-CG 4.35Å; V590-L594 WeakPolarHBondContact O-CB 3.33Å; V590-L594 VanDerWaalsContact O-CG 3.26Å; V590-L594 WeakPolarHBondContact O-CG 3.34Å; V590-L594 PolarHBondContact O-N 3.02Å; Y591-L594 PolarHBondContact O-N 3.14Å; L594-L596 VanDerWaalsContact C-N 3.33Å; L594-L597 PolarHBondContact O-N 3.26Å; L594-P598 WeakPolarHBondContact O-CD 3.3Å; L594-L617 HydrophobicContact CD2-CD2 4.04Å; L594-I621 HydrophobicContact CD1-CD1 4.32Å; L594-I621 HydrophobicContact CD2-CD1 4.39Å; L594-I621 HydrophobicContact CD2-CG1 4.3Å; L594-I880 HydrophobicContact CD1-CG1 4.12Å; L594-A883 HydrophobicContact CB-CB 3.94Å; L594-A883 HydrophobicContact CD1-CB 3.87Å; L594-L887 HydrophobicContact CB-CD1 4.35Å
595I96.3Very high94.7Very high52 Ų5239.3 Ų39.327%0.26722%0.216SC..Hα-helixtrans-65.6-36.3175.6-65.2-52.8000111.7Y591 D592 W593 P598 T886 L887Y591-I595 HydrophobicContact CD1-CG1 4.15Å; Y591-I595 HydrophobicContact CE1-CG1 3.76Å; Y591-I595 HydrophobicContact CE2-CD1 4.19Å; Y591-I595 HydrophobicContact CE2-CG1 4.18Å; Y591-I595 WeakPolarHBondContact O-CG1 3.27Å; Y591-I595 PolarHBondContact O-N 3.09Å; D592-I595 PolarHBondContact O-N 3.45Å; W593-I595 VanDerWaalsContact C-N 3.32Å; W593-I595 PolarHBondContact O-N 3.48Å; I595-P598 WeakPolarHBondContact O-CD 3.43Å; I595-T886 HydrophobicContact CD1-CG2 3.82Å; I595-L887 HydrophobicContact CD1-CD1 4.41Å; I595-L887 HydrophobicContact CD1-CD2 4.08Å; I595-L887 HydrophobicContact CD1-CG 3.88Å
596L94.5Very high94.7Very high34 Ų3440.3 Ų40.318%0.17822%0.219CC..Hα-helixtrans-75.9-25.6179.1-69.9172.7000113.5D592 W593 L594 T599 L600D592-L596 WeakPolarHBondContact O-CG 3.3Å; D592-L596 PolarHBondContact O-N 3.17Å; D592-L596 VanDerWaalsContact O-N 3.15Å; W593-L596 PolarHBondContact O-N 3.43Å; L594-L596 VanDerWaalsContact C-N 3.33Å; L596-T599 WeakPolarHBondContact O-CB 3.19Å; L596-T599 PolarHBondContact O-N 3.11Å; L596-L600 HydrophobicContact CB-CD1 4.4Å; L596-L600 PolarHBondContact O-N 3.21Å; L596-L600 VanDerWaalsContact O-N 3.08Å
597L95.2Very high94.8Very high0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-56.8-43.8-170-16764.4000114.5F580 W593 L594 T599 L600 M601 V613 L617 F638 L642F580-L597 HydrophobicContact CE2-CD1 4.42Å; F580-L597 HydrophobicContact CZ-CD1 4.49Å; F580-L597 HydrophobicContact CZ-CD2 3.95Å; W593-L597 PolarHBondContact O-N 3.35Å; W593-L597 VanDerWaalsContact O-N 3.16Å; L594-L597 PolarHBondContact O-N 3.26Å; L597-T599 PolarHBondContact O-N 3.47Å; L597-L600 PolarHBondContact O-N 2.82Å; L597-M601 HydrophobicContact CD1-CG 4.18Å; L597-M601 HydrophobicContact CG-CG 4.31Å; L597-M601 VanDerWaalsContact O-CG 3.31Å; L597-M601 WeakPolarHBondContact O-CG 3.27Å; L597-M601 PolarHBondContact O-N 3.1Å; L597-V613 HydrophobicContact CD1-CG1 4.19Å; L597-V613 HydrophobicContact CD1-CG2 4.44Å; L597-V613 HydrophobicContact CD2-CG1 4.04Å; L597-V613 HydrophobicContact CG-CG1 4.43Å; L597-L617 HydrophobicContact CD2-CD1 4.26Å; L597-L617 HydrophobicContact CD2-CD2 4.1Å; L597-L617 HydrophobicContact CD2-CG 4.4Å; L597-F638 HydrophobicContact CD2-CZ 4.2Å; L597-L642 HydrophobicContact CD2-CD2 4.3Å
598P94.4Very high94.9Very high37 Ų3736.1 Ų36.124%0.2419%0.19CC..Hα-helixtrans-58.9-35.6175.9-23.933.9000113.6L594 I595 E602 F638 L887L594-P598 WeakPolarHBondContact O-CD 3.3Å; I595-P598 WeakPolarHBondContact O-CD 3.43Å; P598-E602 PolarHBondContact O-N 3.19Å; P598-F638 HydrophobicContact CG-CE2 4.4Å; P598-L887 HydrophobicContact CG-CD2 3.76Å
599T93.3Very high95Very high55 Ų5534.1 Ų34.134%0.33718%0.18SC..Hα-helixtrans-71.5-38177.9-58.50000111.6V559 K563 L596 L597 M601 E602V559-T599 HydrophobicContact CG1-CG2 4Å; K563-T599 HydrophobicContact CD-CG2 3.85Å; L596-T599 WeakPolarHBondContact O-CB 3.19Å; L596-T599 PolarHBondContact O-N 3.11Å; L597-T599 PolarHBondContact O-N 3.47Å; T599-M601 VanDerWaalsContact C-N 3.32Å; T599-E602 WeakPolarHBondContact O-CB 3.24Å; T599-E602 PolarHBondContact O-N 2.99Å
600L94.1Very high95.1Very high4 Ų432.5 Ų32.52%0.02117%0.168CC..Hα-helixtrans-65.7-36.2175.2-72169000112.5V559 M562 F575 I576 W593 L596 L597 E602V559-L600 HydrophobicContact CB-CD2 4.28Å; V559-L600 HydrophobicContact CG1-CD2 4Å; V559-L600 HydrophobicContact CG1-CG 4.47Å; V559-L600 HydrophobicContact CG2-CD2 3.91Å; M562-L600 HydrophobicContact CE-CB 4.09Å; M562-L600 HydrophobicContact CE-CD2 3.42Å; M562-L600 VanDerWaalsContact CE-CD2 3.42Å; M562-L600 HydrophobicContact CE-CG 4.4Å; M562-L600 WeakPolarHBondContact CE-O 3.26Å; M562-L600 HydrophobicContact SD-CD2 4.24Å; F575-L600 HydrophobicContact CD1-CD2 4.37Å; F575-L600 HydrophobicContact CE1-CD2 3.84Å; I576-L600 HydrophobicContact CG1-CD1 4.46Å; W593-L600 HydrophobicContact CH2-CD1 3.52Å; W593-L600 HydrophobicContact CZ2-CD1 4.03Å; W593-L600 HydrophobicContact CZ3-CD1 3.9Å; L596-L600 HydrophobicContact CB-CD1 4.4Å; L596-L600 PolarHBondContact O-N 3.21Å; L596-L600 VanDerWaalsContact O-N 3.08Å; L597-L600 PolarHBondContact O-N 2.82Å; L600-E602 VanDerWaalsContact C-N 3.3Å
601M94.5Very high95Very high10 Ų1036.3 Ų36.35%0.04918%0.182CC..THydrogen-bonded Turntrans-88.32.3-178.2-60-49.5-65.700113.3I576 L597 T599 N603 E604 V609 W610 V613 L642I576-M601 HydrophobicContact CD1-SD 3.98Å; L597-M601 HydrophobicContact CD1-CG 4.18Å; L597-M601 HydrophobicContact CG-CG 4.31Å; L597-M601 VanDerWaalsContact O-CG 3.31Å; L597-M601 WeakPolarHBondContact O-CG 3.27Å; L597-M601 PolarHBondContact O-N 3.1Å; T599-M601 VanDerWaalsContact C-N 3.32Å; M601-N603 PolarHBondContact O-N 3.37Å; M601-N603 VanDerWaalsContact O-N 3.16Å; M601-E604 HydrophobicContact CE-CB 3.87Å; M601-E604 HydrophobicContact CE-CG 3.65Å; M601-E604 PolarHBondContact O-N 3.11Å; M601-E604 HydrophobicContact SD-CB 4.46Å; M601-E604 HydrophobicContact SD-CG 4.39Å; M601-V609 HydrophobicContact CE-CG1 4.37Å; M601-V609 HydrophobicContact SD-CG1 4.43Å; M601-W610 HydrophobicContact CB-CH2 4.16Å; M601-W610 HydrophobicContact CB-CZ2 4.38Å; M601-W610 HydrophobicContact CE-CD2 3.44Å; M601-W610 VanDerWaalsContact CE-CD2 3.44Å; M601-W610 VanDerWaalsContact CE-CE2 3.41Å; M601-W610 HydrophobicContact CE-CE3 3.64Å; M601-W610 HydrophobicContact CE-CG 4.02Å; M601-W610 HydrophobicContact CE-CH2 3.77Å; M601-W610 HydrophobicContact CE-CZ2 3.59Å; M601-W610 HydrophobicContact CE-CZ3 3.8Å; M601-V613 HydrophobicContact CE-CB 4.47Å; M601-V613 HydrophobicContact CE-CG2 3.76Å; M601-V613 HydrophobicContact CG-CG2 4.4Å; M601-V613 HydrophobicContact SD-CG2 3.44Å; M601-V613 WeakPolarHBondContact SD-CG2 3.27Å; M601-L642 HydrophobicContact CB-CD1 3.89Å; M601-L642 HydrophobicContact CG-CD1 4.05Å
602E91Very high94.8Very high104 Ų10434.4 Ų34.449%0.48618%0.176SC..THydrogen-bonded Turntrans-64.4116.8176.5-168.1-179.5-169.700109.7K563 P598 T599 L600 E604K563-E602 WeakPolarHBondContact CE-OE2 3.43Å; K563-E602 IonicContact NZ-OE2 2.66Å; K563-E602 PolarHBondContact NZ-OE2 2.82Å; P598-E602 PolarHBondContact O-N 3.19Å; T599-E602 WeakPolarHBondContact O-CB 3.24Å; T599-E602 PolarHBondContact O-N 2.99Å; L600-E602 VanDerWaalsContact C-N 3.3Å; E602-E604 PolarHBondContact O-N 3.27Å
603N90.1Very high94.9Very high113 Ų11330.1 Ų30.160%0.60415%0.153SC*.THydrogen-bonded Turntrans67.57.1-176.8-61.7-63.1000117.1M601 K649M601-N603 PolarHBondContact O-N 3.37Å; M601-N603 VanDerWaalsContact O-N 3.16Å; N603-K649 PolarHBondContact OD1-NZ 3.27Å; N603-K649 VanDerWaalsContact OD1-NZ 3.1Å
604E94.9Very high94.9Very high15 Ų1530.4 Ų30.47%0.0716%0.155CC..  trans-70.4133.4174.9-178.155.3-90.700111.2R572 M601 E602 D606 V609 W610R572-E604 IonicContact CZ-OE2 3.59Å; R572-E604 IonicContact NE-OE2 2.78Å; R572-E604 PolarHBondContact NE-OE2 2.96Å; R572-E604 IonicContact NH2-OE1 3.49Å; R572-E604 PolarHBondContact NH2-OE1 2.88Å; R572-E604 IonicContact NH2-OE2 3.59Å; R572-E604 PolarHBondContact NH2-OE2 3.4Å; R572-E604 VanDerWaalsContact NH2-OE2 3.12Å; M601-E604 HydrophobicContact CE-CB 3.87Å; M601-E604 HydrophobicContact CE-CG 3.65Å; M601-E604 PolarHBondContact O-N 3.11Å; M601-E604 HydrophobicContact SD-CB 4.46Å; M601-E604 HydrophobicContact SD-CG 4.39Å; E602-E604 PolarHBondContact O-N 3.27Å; E604-D606 WeakPolarHBondContact OE1-CB 3.49Å; E604-D606 PolarHBondContact OE1-N 3.11Å; E604-V609 HydrophobicContact CG-CB 4Å; E604-V609 HydrophobicContact CG-CG1 3.74Å; E604-W610 PolarHBondContact O-NE1 3.36Å
605N94.2Very high94.8Very high52 Ų5232 Ų3228%0.27816%0.163SC..  trans-135.91.6-175-61-35.5000113L666N605-L666 WeakPolarHBondContact O-CD2 2.85Å
606D94.8Very high94.8Very high40 Ų4029.9 Ų29.921%0.21415%0.154CC..  trans-83.3131.7-179.1-83.1-86.2000111.8T569 R572 E604 S608 V609 W610T569-D606 HydrophobicContact CG2-CB 3.73Å; T569-D606 PolarHBondContact OG1-OD1 2.98Å; R572-D606 IonicContact CZ-OD2 2.89Å; R572-D606 VanDerWaalsContact NH2-CG 3.29Å; R572-D606 IonicContact NH2-OD2 3.53Å; R572-D606 PolarHBondContact NH2-OD2 3.45Å; E604-D606 WeakPolarHBondContact OE1-CB 3.49Å; E604-D606 PolarHBondContact OE1-N 3.11Å; D606-S608 PolarHBondContact O-N 2.7Å; D606-V609 HydrophobicContact CB-CB 4.43Å; D606-V609 HydrophobicContact CB-CG2 4.03Å; D606-V609 PolarHBondContact O-N 3.14Å; D606-W610 PolarHBondContact O-N 2.57Å; D606-W610 VanDerWaalsContact O-N 3.11Å
607Y95.6Very high94.9Very high22 Ų2228.3 Ų28.39%0.08615%0.146CC..Hα-helixtrans-55.4-49.5-178.5169-105.6000112.2H347 V609 W610 R611 M665 L666 L669H347-Y607 AromaticContact CE1-CD1 3.78Å; H347-Y607 AromaticContact CE1-CE1 3.94Å; H347-Y607 AromaticContact NE2-CD1 3.4Å; H347-Y607 WeakPolarHBondContact NE2-CD1 3.37Å; H347-Y607 AromaticContact NE2-CE1 3.97Å; Y607-V609 VanDerWaalsContact C-N 3.31Å; Y607-V609 PolarHBondContact O-N 3.38Å; Y607-W610 PolarHBondContact O-N 3.05Å; Y607-R611 VanDerWaalsContact O-CB 3.28Å; Y607-R611 WeakPolarHBondContact O-CB 3.42Å; Y607-R611 PolarHBondContact O-N 3.25Å; Y607-R611 PolarHBondContact OH-NH1 2.59Å; Y607-M665 HydrophobicContact CD1-CB 4.32Å; Y607-M665 HydrophobicContact CD1-CE 4.25Å; Y607-M665 HydrophobicContact CD1-SD 4.34Å; Y607-M665 HydrophobicContact CD2-CB 3.52Å; Y607-M665 HydrophobicContact CE1-CB 4.45Å; Y607-M665 HydrophobicContact CE1-CE 3.57Å; Y607-M665 HydrophobicContact CE1-SD 4.24Å; Y607-M665 HydrophobicContact CE2-CB 3.64Å; Y607-M665 HydrophobicContact CE2-CE 4.27Å; Y607-M665 HydrophobicContact CG-CB 3.86Å; Y607-L666 HydrophobicContact CD2-CB 4.42Å; Y607-L669 HydrophobicContact CD2-CD2 4.09Å; Y607-L669 HydrophobicContact CE2-CB 4.21Å; Y607-L669 HydrophobicContact CE2-CD2 3.87Å
608S94.6Very high94.9Very high0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-62.5-39.8-175.2-41.10000111.9T346 H347 F573 D606 R611 G612T346-S608 PolarHBondContact O-OG 3.42Å; T346-S608 PolarHBondContact OG1-OG 2.94Å; H347-S608 PolarHBondContact CD2-OG 3.09Å; H347-S608 VanDerWaalsContact CD2-OG 3.26Å; F573-S608 VanDerWaalsContact CD2-O 3.22Å; F573-S608 WeakPolarHBondContact CD2-O 3.42Å; D606-S608 PolarHBondContact O-N 2.7Å; S608-R611 PolarHBondContact O-N 2.77Å; S608-G612 PolarHBondContact O-N 3.2Å
609V96.8Very high94.8Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-65.2-50.4178-175.90000110.2T569 R572 F573 I576 M601 E604 D606 Y607 R611 G612 V613T569-V609 HydrophobicContact CG2-CG2 4.04Å; R572-V609 HydrophobicContact CB-CG2 4.03Å; F573-V609 HydrophobicContact CB-CG2 4.33Å; I576-V609 HydrophobicContact CD1-CG1 3.49Å; I576-V609 VanDerWaalsContact CD1-CG1 3.49Å; M601-V609 HydrophobicContact CE-CG1 4.37Å; M601-V609 HydrophobicContact SD-CG1 4.43Å; E604-V609 HydrophobicContact CG-CB 4Å; E604-V609 HydrophobicContact CG-CG1 3.74Å; D606-V609 HydrophobicContact CB-CB 4.43Å; D606-V609 HydrophobicContact CB-CG2 4.03Å; D606-V609 PolarHBondContact O-N 3.14Å; Y607-V609 VanDerWaalsContact C-N 3.31Å; Y607-V609 PolarHBondContact O-N 3.38Å; V609-R611 VanDerWaalsContact C-N 3.27Å; V609-R611 PolarHBondContact O-N 2.88Å; V609-G612 PolarHBondContact O-N 3.49Å; V609-V613 VanDerWaalsContact O-CG2 3.27Å; V609-V613 WeakPolarHBondContact O-CG2 3.15Å; V609-V613 PolarHBondContact O-N 2.9Å
610W97.6Very high94.8Very high3 Ų329 Ų291%0.01115%0.147CC..Hα-helixtrans-59.1-38.8175.2-85.4106.2000112.7M601 E604 D606 Y607 V613 L614 L642 V643 V646 L666 L669M601-W610 HydrophobicContact CB-CH2 4.16Å; M601-W610 HydrophobicContact CB-CZ2 4.38Å; M601-W610 HydrophobicContact CE-CD2 3.44Å; M601-W610 VanDerWaalsContact CE-CD2 3.44Å; M601-W610 VanDerWaalsContact CE-CE2 3.41Å; M601-W610 HydrophobicContact CE-CE3 3.64Å; M601-W610 HydrophobicContact CE-CG 4.02Å; M601-W610 HydrophobicContact CE-CH2 3.77Å; M601-W610 HydrophobicContact CE-CZ2 3.59Å; M601-W610 HydrophobicContact CE-CZ3 3.8Å; E604-W610 PolarHBondContact O-NE1 3.36Å; D606-W610 PolarHBondContact O-N 2.57Å; D606-W610 VanDerWaalsContact O-N 3.11Å; Y607-W610 PolarHBondContact O-N 3.05Å; W610-V613 PolarHBondContact O-N 2.91Å; W610-L614 HydrophobicContact CE3-CD1 4.24Å; W610-L614 HydrophobicContact CE3-CG 4.29Å; W610-L614 WeakPolarHBondContact O-CB 3.47Å; W610-L614 VanDerWaalsContact O-CG 3.25Å; W610-L614 WeakPolarHBondContact O-CG 3.36Å; W610-L614 PolarHBondContact O-N 3.23Å; W610-L642 HydrophobicContact CH2-CG 4.02Å; W610-L642 WeakPolarHBondContact CH2-O 3.37Å; W610-L642 HydrophobicContact CZ3-CD2 4.2Å; W610-L642 HydrophobicContact CZ3-CG 3.95Å; W610-V643 HydrophobicContact CZ3-CG1 4.07Å; W610-V646 HydrophobicContact CH2-CG1 4.2Å; W610-V646 HydrophobicContact CZ2-CB 4.12Å; W610-V646 HydrophobicContact CZ2-CG1 3.73Å; W610-L666 HydrophobicContact CB-CD1 3.5Å; W610-L666 VanDerWaalsContact CD1-CD1 3.49Å; W610-L666 HydrophobicContact CD2-CD1 4.34Å; W610-L666 HydrophobicContact CG-CD1 3.48Å; W610-L666 VanDerWaalsContact CG-CD1 3.48Å; W610-L669 HydrophobicContact CB-CD2 4.28Å
611R95.7Very high95Very high83 Ų8328.9 Ų28.931%0.31315%0.146SC..Hα-helixtrans-61.3-46.3176.4-174.967.2-175.5-137.55.9111.3Y350 Y607 S608 V609 V613 L614 D615 L669Y350-R611 HydrophobicContact CD1-CG 3.81Å; Y350-R611 HydrophobicContact CD2-CG 3.91Å; Y350-R611 HydrophobicContact CE1-CG 3.54Å; Y350-R611 HydrophobicContact CE2-CG 3.61Å; Y350-R611 HydrophobicContact CG-CG 4.01Å; Y350-R611 VanDerWaalsContact CZ-CG 3.44Å; Y350-R611 PolarHBondContact OH-NE 2.81Å; Y350-R611 PolarHBondContact OH-NH2 3Å; Y607-R611 VanDerWaalsContact O-CB 3.28Å; Y607-R611 WeakPolarHBondContact O-CB 3.42Å; Y607-R611 PolarHBondContact O-N 3.25Å; Y607-R611 PolarHBondContact OH-NH1 2.59Å; S608-R611 PolarHBondContact O-N 2.77Å; V609-R611 VanDerWaalsContact C-N 3.27Å; V609-R611 PolarHBondContact O-N 2.88Å; R611-V613 PolarHBondContact O-N 2.82Å; R611-L614 PolarHBondContact O-N 2.87Å; R611-D615 VanDerWaalsContact O-CB 3.24Å; R611-D615 WeakPolarHBondContact O-CB 3.23Å; R611-D615 PolarHBondContact O-N 3.33Å; R611-L669 HydrophobicContact CB-CD2 4.05Å
612G94.5Very high95Very high4 Ų429.9 Ų29.94%0.04115%0.15CC..Hα-helixtrans-59.3-44.717500000112.9S608 V609 G616S608-G612 PolarHBondContact O-N 3.2Å; V609-G612 PolarHBondContact O-N 3.49Å; G612-G616 PolarHBondContact O-N 3.27Å
613V97.4Very high95Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-62.2-52.7178.6175.40000111.2I576 L597 M601 V609 W610 R611 D615 G616 L617 L642I576-V613 HydrophobicContact CD1-CG2 4.42Å; I576-V613 HydrophobicContact CG2-CG2 3.59Å; L597-V613 HydrophobicContact CD1-CG1 4.19Å; L597-V613 HydrophobicContact CD1-CG2 4.44Å; L597-V613 HydrophobicContact CD2-CG1 4.04Å; L597-V613 HydrophobicContact CG-CG1 4.43Å; M601-V613 HydrophobicContact CE-CB 4.47Å; M601-V613 HydrophobicContact CE-CG2 3.76Å; M601-V613 HydrophobicContact CG-CG2 4.4Å; M601-V613 HydrophobicContact SD-CG2 3.44Å; M601-V613 WeakPolarHBondContact SD-CG2 3.27Å; V609-V613 VanDerWaalsContact O-CG2 3.27Å; V609-V613 WeakPolarHBondContact O-CG2 3.15Å; V609-V613 PolarHBondContact O-N 2.9Å; W610-V613 PolarHBondContact O-N 2.91Å; R611-V613 PolarHBondContact O-N 2.82Å; V613-D615 VanDerWaalsContact C-N 3.31Å; V613-D615 PolarHBondContact O-N 3.49Å; V613-G616 PolarHBondContact O-N 2.9Å; V613-L617 HydrophobicContact CG1-CD1 3.97Å; V613-L617 HydrophobicContact CG1-CG 4.45Å; V613-L617 WeakPolarHBondContact O-CB 3.48Å; V613-L617 VanDerWaalsContact O-CG 3.27Å; V613-L617 WeakPolarHBondContact O-CG 3.37Å; V613-L617 PolarHBondContact O-N 3.26Å; V613-L642 HydrophobicContact CG1-CD2 4.09Å
614L97.3Very high95.2Very high11 Ų1122.7 Ų22.76%0.05811%0.11CC..Hα-helixtrans-69.1-32.2-175-67.3172000111.5W610 R611 L617 N618 V643 L669 V673W610-L614 HydrophobicContact CE3-CD1 4.24Å; W610-L614 HydrophobicContact CE3-CG 4.29Å; W610-L614 WeakPolarHBondContact O-CB 3.47Å; W610-L614 VanDerWaalsContact O-CG 3.25Å; W610-L614 WeakPolarHBondContact O-CG 3.36Å; W610-L614 PolarHBondContact O-N 3.23Å; R611-L614 PolarHBondContact O-N 2.87Å; L614-L617 HydrophobicContact CD2-CD1 4.43Å; L614-N618 WeakPolarHBondContact O-CB 3.45Å; L614-N618 PolarHBondContact O-N 2.69Å; L614-V643 HydrophobicContact CD2-CG1 4.23Å; L614-L669 HydrophobicContact CD1-CD1 4.04Å; L614-L669 HydrophobicContact CD1-CD2 3.81Å; L614-L669 HydrophobicContact CD1-CG 3.61Å; L614-V673 HydrophobicContact CD1-CG2 4.01Å; L614-V673 HydrophobicContact CD2-CG1 4.11Å; L614-V673 HydrophobicContact CD2-CG2 4.18Å; L614-V673 HydrophobicContact CG-CG2 4.49Å
615D94.6Very high95.2Very high32 Ų3222.2 Ų22.217%0.17111%0.108CC..Hα-helixtrans-67.6-46.2171.8-172.163000112Y350 R358 R611 V613 L617 N618 T619Y350-D615 HydrophobicContact CE2-CB 4.26Å; R358-D615 IonicContact NH1-OD2 3.5Å; R611-D615 VanDerWaalsContact O-CB 3.24Å; R611-D615 WeakPolarHBondContact O-CB 3.23Å; R611-D615 PolarHBondContact O-N 3.33Å; V613-D615 VanDerWaalsContact C-N 3.31Å; V613-D615 PolarHBondContact O-N 3.49Å; D615-L617 VanDerWaalsContact C-N 3.31Å; D615-L617 PolarHBondContact O-N 2.91Å; D615-N618 PolarHBondContact O-N 2.58Å; D615-N618 VanDerWaalsContact O-N 3.12Å; D615-T619 WeakPolarHBondContact O-CB 3.44Å; D615-T619 WeakPolarHBondContact O-CG2 3.28Å; D615-T619 PolarHBondContact O-N 3.38Å; D615-T619 PolarHBondContact O-OG1 2.86Å; D615-T619 VanDerWaalsContact OD1-CG2 3.22Å; D615-T619 WeakPolarHBondContact OD1-CG2 3.49Å
616G95.8Very high95.1Very high8 Ų822.5 Ų22.58%0.08211%0.108CC..Hα-helixtrans-58.4-43.3174.400000112.1G612 V613 Y620 I621G612-G616 PolarHBondContact O-N 3.27Å; V613-G616 PolarHBondContact O-N 2.9Å; G616-Y620 WeakPolarHBondContact O-CB 3.43Å; G616-Y620 PolarHBondContact O-N 3.21Å; G616-I621 PolarHBondContact O-N 2.77Å
617L97.4Very high94.9Very high1 Ų121.9 Ų21.91%0.00511%0.107CC..Iπ-helixtrans-63.4-41.3174-69.7178000112.1F580 L594 L597 V613 L614 D615 I621 K622 Y635 F638 L639 L642F580-L617 HydrophobicContact CE1-CD2 4.1Å; F580-L617 HydrophobicContact CE1-CG 4.4Å; F580-L617 HydrophobicContact CZ-CD2 4.06Å; F580-L617 HydrophobicContact CZ-CG 4.04Å; L594-L617 HydrophobicContact CD2-CD2 4.04Å; L597-L617 HydrophobicContact CD2-CD1 4.26Å; L597-L617 HydrophobicContact CD2-CD2 4.1Å; L597-L617 HydrophobicContact CD2-CG 4.4Å; V613-L617 HydrophobicContact CG1-CD1 3.97Å; V613-L617 HydrophobicContact CG1-CG 4.45Å; V613-L617 WeakPolarHBondContact O-CB 3.48Å; V613-L617 VanDerWaalsContact O-CG 3.27Å; V613-L617 WeakPolarHBondContact O-CG 3.37Å; V613-L617 PolarHBondContact O-N 3.26Å; L614-L617 HydrophobicContact CD2-CD1 4.43Å; D615-L617 VanDerWaalsContact C-N 3.31Å; D615-L617 PolarHBondContact O-N 2.91Å; L617-I621 HydrophobicContact CD2-CB 4.37Å; L617-I621 HydrophobicContact CD2-CG1 3.99Å; L617-I621 WeakPolarHBondContact O-CB 3.34Å; L617-I621 PolarHBondContact O-N 3.4Å; L617-K622 WeakPolarHBondContact O-CB 3.31Å; L617-K622 PolarHBondContact O-N 2.89Å; L617-Y635 WeakPolarHBondContact CB-OH 3.44Å; L617-Y635 PolarHBondContact O-OH 3.21Å; L617-Y635 VanDerWaalsContact O-OH 3.13Å; L617-F638 HydrophobicContact CD1-CE1 4.14Å; L617-F638 HydrophobicContact CD2-CE1 3.89Å; L617-L639 HydrophobicContact CD1-CD2 3.81Å; L617-L642 HydrophobicContact CD1-CD2 3.85Å
618N94.1Very high94.7Very high70 Ų7022.2 Ų22.237%0.37411%0.112SC..Iπ-helixtrans-77.1-42.3-177.2-173.360.6000113.8L614 D615 K622L614-N618 WeakPolarHBondContact O-CB 3.45Å; L614-N618 PolarHBondContact O-N 2.69Å; D615-N618 PolarHBondContact O-N 2.58Å; D615-N618 VanDerWaalsContact O-N 3.12Å; N618-K622 VanDerWaalsContact OD1-CD 3.22Å; N618-K622 WeakPolarHBondContact OD1-CD 3.41Å; N618-K622 PolarHBondContact OD1-NZ 2.79Å
619T91.9Very high94.6Very high30 Ų3030.4 Ų30.418%0.18416%0.156CC..Iπ-helixtrans-90.6-16.9-17264.60000113.8D615 R623D615-T619 WeakPolarHBondContact O-CB 3.44Å; D615-T619 WeakPolarHBondContact O-CG2 3.28Å; D615-T619 PolarHBondContact O-N 3.38Å; D615-T619 PolarHBondContact O-OG1 2.86Å; D615-T619 VanDerWaalsContact OD1-CG2 3.22Å; D615-T619 WeakPolarHBondContact OD1-CG2 3.49Å; T619-R623 WeakPolarHBondContact O-CD 3.28Å; T619-R623 WeakPolarHBondContact O-CG 3.35Å; T619-R623 PolarHBondContact O-NE 2.86Å
620Y94.9Very high94.5Very high8 Ų831 Ų313%0.03116%0.159CC..Iπ-helixtrans-115.2-61.8176.8171-150.9000111.1F580 A583 K584 V590 G616 I624 V872 D876F580-Y620 HydrophobicContact CD1-CD1 4.23Å; A583-Y620 HydrophobicContact CB-CE1 4.24Å; K584-Y620 HydrophobicContact CB-CD1 4.13Å; K584-Y620 HydrophobicContact CB-CE1 3.85Å; K584-Y620 HydrophobicContact CB-CE2 4.33Å; K584-Y620 HydrophobicContact CB-CG 4.48Å; K584-Y620 HydrophobicContact CD-CD2 4.43Å; K584-Y620 HydrophobicContact CD-CG 4.36Å; K584-Y620 HydrophobicContact CG-CD2 4.19Å; K584-Y620 HydrophobicContact CG-CE1 4.48Å; K584-Y620 HydrophobicContact CG-CE2 4.15Å; K584-Y620 HydrophobicContact CG-CG 4.39Å; V590-Y620 HydrophobicContact CG2-CE1 4.04Å; G616-Y620 WeakPolarHBondContact O-CB 3.43Å; G616-Y620 PolarHBondContact O-N 3.21Å; Y620-I624 HydrophobicContact CD2-CD1 3.72Å; Y620-I624 HydrophobicContact CE2-CD1 3.53Å; Y620-I624 WeakPolarHBondContact O-CG1 3.24Å; Y620-I624 PolarHBondContact O-N 3.37Å; Y620-V872 HydrophobicContact CD2-CG1 3.79Å; Y620-V872 HydrophobicContact CE2-CG1 3.32Å; Y620-D876 WeakPolarHBondContact CE2-OD2 3.48Å; Y620-D876 PolarHBondContact OH-OD2 3.18Å
621I96.8Very high94.4Very high0 Ų034.6 Ų34.60%018%0.183CC..Iπ-helixtrans-70.5-51.2-170.9-52.7-56.4000112.1F580 V590 L594 G616 L617 R623 I624 I625 Y635 I880F580-I621 HydrophobicContact CE1-CG1 4.36Å; V590-I621 HydrophobicContact CG2-CD1 3.76Å; L594-I621 HydrophobicContact CD1-CD1 4.32Å; L594-I621 HydrophobicContact CD2-CD1 4.39Å; L594-I621 HydrophobicContact CD2-CG1 4.3Å; G616-I621 PolarHBondContact O-N 2.77Å; L617-I621 HydrophobicContact CD2-CB 4.37Å; L617-I621 HydrophobicContact CD2-CG1 3.99Å; L617-I621 WeakPolarHBondContact O-CB 3.34Å; L617-I621 PolarHBondContact O-N 3.4Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 3.15Å; I621-I624 WeakPolarHBondContact O-CB 3.47Å; I621-I624 PolarHBondContact O-N 2.96Å; I621-I625 HydrophobicContact CG2-CD1 3.84Å; I621-I625 WeakPolarHBondContact O-CG1 3.36Å; I621-I625 PolarHBondContact O-N 3.2Å; I621-I625 VanDerWaalsContact O-N 3.08Å; I621-Y635 HydrophobicContact CG2-CD2 4.34Å; I621-Y635 HydrophobicContact CG2-CE2 3.96Å; I621-I880 HydrophobicContact CD1-CD1 3.79Å; I621-I880 HydrophobicContact CD1-CG1 4.2Å; I621-I880 HydrophobicContact CG2-CD1 4.35Å; I621-I880 HydrophobicContact CG2-CG2 3.93Å
622K95Very high94.2Very high32 Ų3234 Ų3414%0.13919%0.191CC..Hα-helixtrans-62-36.7-179.7-172.6-174.3178-176.50112.3L617 N618 I624 I625 Q626 Y635L617-K622 WeakPolarHBondContact O-CB 3.31Å; L617-K622 PolarHBondContact O-N 2.89Å; N618-K622 VanDerWaalsContact OD1-CD 3.22Å; N618-K622 WeakPolarHBondContact OD1-CD 3.41Å; N618-K622 PolarHBondContact OD1-NZ 2.79Å; K622-I624 VanDerWaalsContact C-N 3.31Å; K622-I624 PolarHBondContact O-N 2.98Å; K622-I625 PolarHBondContact O-N 3.29Å; K622-Q626 HydrophobicContact CG-CG 4.33Å; K622-Q626 WeakPolarHBondContact O-CB 3.41Å; K622-Q626 VanDerWaalsContact O-CG 3.3Å; K622-Q626 WeakPolarHBondContact O-CG 3.44Å; K622-Q626 PolarHBondContact O-N 3.16Å; K622-Y635 HydrophobicContact CB-CE1 3.86Å; K622-Y635 HydrophobicContact CD-CE1 4.23Å; K622-Y635 HydrophobicContact CG-CE1 3.87Å
623R92Very high94.2Very high59 Ų5937.6 Ų37.622%0.22322%0.216CC..Hα-helixtrans-61.9-39.9177.2-66.9-165.8-173.9164.8-2.9112T619 I621 S627 S833T619-R623 WeakPolarHBondContact O-CD 3.28Å; T619-R623 WeakPolarHBondContact O-CG 3.35Å; T619-R623 PolarHBondContact O-NE 2.86Å; I621-R623 VanDerWaalsContact C-N 3.31Å; I621-R623 PolarHBondContact O-N 3.15Å; R623-S627 WeakPolarHBondContact O-CB 3.49Å; R623-S627 PolarHBondContact O-N 2.93Å; R623-S627 PolarHBondContact O-OG 3.36Å; R623-S833 PolarHBondContact NH1-O 3.09Å
624I94.4Very high94.1Very high7 Ų739 Ų394%0.03622%0.223CC..Hα-helixtrans-64.3-48.5174.3-67.8165.1000110.1Y620 I621 K622 Q626 S627 S628 V872 L873 D876 I880Y620-I624 HydrophobicContact CD2-CD1 3.72Å; Y620-I624 HydrophobicContact CE2-CD1 3.53Å; Y620-I624 WeakPolarHBondContact O-CG1 3.24Å; Y620-I624 PolarHBondContact O-N 3.37Å; I621-I624 WeakPolarHBondContact O-CB 3.47Å; I621-I624 PolarHBondContact O-N 2.96Å; K622-I624 VanDerWaalsContact C-N 3.31Å; K622-I624 PolarHBondContact O-N 2.98Å; I624-Q626 VanDerWaalsContact C-N 3.33Å; I624-Q626 PolarHBondContact O-N 2.91Å; I624-S627 CarbonylContact O-C 3.12Å; I624-S627 PolarHBondContact O-N 3.24Å; I624-S628 VanDerWaalsContact O-CB 3.29Å; I624-S628 WeakPolarHBondContact O-CB 3.22Å; I624-S628 PolarHBondContact O-N 3.38Å; I624-S628 VanDerWaalsContact O-N 3.09Å; I624-S628 PolarHBondContact O-OG 3Å; I624-V872 HydrophobicContact CD1-CG1 3.62Å; I624-V872 HydrophobicContact CG1-CG1 4.2Å; I624-L873 HydrophobicContact CB-CD1 4.45Å; I624-L873 HydrophobicContact CG2-CD1 3.9Å; I624-D876 HydrophobicContact CD1-CB 3.97Å; I624-I880 HydrophobicContact CB-CD1 4.13Å; I624-I880 HydrophobicContact CD1-CD1 3.33Å; I624-I880 HydrophobicContact CG1-CD1 4.35Å; I624-I880 HydrophobicContact CG2-CD1 3.98Å
625I94.7Very high94Very high4 Ų438.8 Ų38.82%0.02122%0.221CC..Hα-helixtrans-56-49.2179.3-67.8156.9000110.6I621 K622 S627 S628 I630 Y635 I880 L884I621-I625 HydrophobicContact CG2-CD1 3.84Å; I621-I625 WeakPolarHBondContact O-CG1 3.36Å; I621-I625 PolarHBondContact O-N 3.2Å; I621-I625 VanDerWaalsContact O-N 3.08Å; K622-I625 PolarHBondContact O-N 3.29Å; I625-S627 PolarHBondContact O-N 2.92Å; I625-S627 VanDerWaalsContact O-N 3.09Å; I625-S628 WeakPolarHBondContact CA-OG 3.25Å; I625-S628 PolarHBondContact O-N 3.23Å; I625-S628 VanDerWaalsContact O-N 3.1Å; I625-S628 PolarHBondContact O-OG 3.29Å; I625-I630 HydrophobicContact CG1-CB 4.36Å; I625-I630 HydrophobicContact CG1-CD1 4.26Å; I625-I630 HydrophobicContact CG1-CG2 4.18Å; I625-I630 HydrophobicContact CG2-CB 4.29Å; I625-I630 HydrophobicContact CG2-CG2 4.32Å; I625-Y635 HydrophobicContact CD1-CD1 3.97Å; I625-Y635 HydrophobicContact CD1-CD2 3.33Å; I625-Y635 HydrophobicContact CD1-CE1 4.48Å; I625-Y635 HydrophobicContact CD1-CE2 3.94Å; I625-Y635 HydrophobicContact CD1-CG 3.34Å; I625-I880 HydrophobicContact CG1-CG2 4.35Å; I625-L884 HydrophobicContact CD1-CD1 4.12Å
626Q91.1Very high94.1Very high58 Ų5838.6 Ų38.627%0.27122%0.221SC..Hα-helixtrans-61.7-18.2178.6-72.9-179.2-2400114.5K622 I624 W795 I797K622-Q626 HydrophobicContact CG-CG 4.33Å; K622-Q626 WeakPolarHBondContact O-CB 3.41Å; K622-Q626 VanDerWaalsContact O-CG 3.3Å; K622-Q626 WeakPolarHBondContact O-CG 3.44Å; K622-Q626 PolarHBondContact O-N 3.16Å; I624-Q626 VanDerWaalsContact C-N 3.33Å; I624-Q626 PolarHBondContact O-N 2.91Å; Q626-W795 PolarHBondContact NE2-O 3.26Å; Q626-I797 HydrophobicContact CB-CG1 4.08Å
627S90.8Very high94.1Very high28 Ų2840.9 Ų40.920%0.19624%0.235CC..THydrogen-bonded Turntrans-109.78.9-178.9-47.70000112.7R623 I624 I625 S836R623-S627 WeakPolarHBondContact O-CB 3.49Å; R623-S627 PolarHBondContact O-N 2.93Å; R623-S627 PolarHBondContact O-OG 3.36Å; I624-S627 CarbonylContact O-C 3.12Å; I624-S627 PolarHBondContact O-N 3.24Å; I625-S627 PolarHBondContact O-N 2.92Å; I625-S627 VanDerWaalsContact O-N 3.09Å; S627-S836 VanDerWaalsContact CB-OG 3.23Å; S627-S836 WeakPolarHBondContact CB-OG 3.33Å; S627-S836 PolarHBondContact OG-OG 3.14Å
628S92.2Very high94Very high28 Ų2841 Ų4120%0.19624%0.236CC..SBendtrans-133.4175.8-175.4710000111.3I624 I625 I630 S877I624-S628 VanDerWaalsContact O-CB 3.29Å; I624-S628 WeakPolarHBondContact O-CB 3.22Å; I624-S628 PolarHBondContact O-N 3.38Å; I624-S628 VanDerWaalsContact O-N 3.09Å; I624-S628 PolarHBondContact O-OG 3Å; I625-S628 WeakPolarHBondContact CA-OG 3.25Å; I625-S628 PolarHBondContact O-N 3.23Å; I625-S628 VanDerWaalsContact O-N 3.1Å; I625-S628 PolarHBondContact O-OG 3.29Å; S628-I630 PolarHBondContact O-N 3.02Å; S628-I630 WeakPolarHBondContact OG-CG1 3.44Å; S628-I630 PolarHBondContact OG-N 3.25Å; S628-S877 WeakPolarHBondContact CB-OG 3.45Å
629D92.1Very high94.1Very high172 Ų17238.2 Ų38.292%0.9222%0.221SC*.SBendtrans-82.48.5177.8-59.9-39.1000113.7P631D629-P631 WeakPolarHBondContact O-CD 3.33Å
630I95.1Very high94.3Very high14 Ų1438.2 Ų38.27%0.07222%0.22CC..  trans-68.8124.6179.6-59.9171.7000109.2I625 S628 S632 I880 A881 L884I625-I630 HydrophobicContact CG1-CB 4.36Å; I625-I630 HydrophobicContact CG1-CD1 4.26Å; I625-I630 HydrophobicContact CG1-CG2 4.18Å; I625-I630 HydrophobicContact CG2-CB 4.29Å; I625-I630 HydrophobicContact CG2-CG2 4.32Å; S628-I630 PolarHBondContact O-N 3.02Å; S628-I630 WeakPolarHBondContact OG-CG1 3.44Å; S628-I630 PolarHBondContact OG-N 3.25Å; I630-S632 PolarHBondContact O-N 3.22Å; I630-I880 HydrophobicContact CD1-CB 4.35Å; I630-I880 HydrophobicContact CD1-CG2 4.05Å; I630-A881 HydrophobicContact CD1-CB 3.9Å; I630-A881 HydrophobicContact CG1-CB 3.92Å; I630-L884 HydrophobicContact CG2-CD1 4.08Å
631P93.6Very high94.2Very high77 Ų7741 Ų4150%0.523%0.232SC..  trans-62.2124.6178.9-23.534000112.1D629 S633 L634D629-P631 WeakPolarHBondContact O-CD 3.33Å; P631-S633 PolarHBondContact O-N 3.46Å; P631-S633 VanDerWaalsContact O-N 3.14Å; P631-L634 WeakPolarHBondContact O-CB 3.25Å; P631-L634 PolarHBondContact O-N 3Å
632S92.7Very high94.2Very high70 Ų7041.5 Ų41.549%0.4923%0.234SC..Hα-helixtrans-56-31.3175.9-58.20000112.8I630 L634 Y635 N636I630-S632 PolarHBondContact O-N 3.22Å; S632-L634 VanDerWaalsContact C-N 3.25Å; S632-L634 PolarHBondContact O-N 3.26Å; S632-Y635 PolarHBondContact O-N 3.47Å; S632-N636 WeakPolarHBondContact O-CB 3.34Å; S632-N636 PolarHBondContact O-N 3.45Å; S632-N636 PolarHBondContact O-OD1 3.48Å; S632-N636 VanDerWaalsContact O-OD1 3.13Å
633S94.1Very high94.2Very high80 Ų8040 Ų4056%0.55923%0.228SC*.Hα-helixtrans-60.6-32.917755.40000113.3P631 S637P631-S633 PolarHBondContact O-N 3.46Å; P631-S633 VanDerWaalsContact O-N 3.14Å; S633-S637 WeakPolarHBondContact O-CB 3.27Å; S633-S637 PolarHBondContact O-N 3.08Å; S633-S637 PolarHBondContact O-OG 3.27Å
634L94.6Very high94.3Very high29 Ų2939.5 Ų39.515%0.15223%0.226CC..Hα-helixtrans-69.1-43.5177.7-171.270.1000110.7P631 S632 S637 F638 L884 C888P631-L634 WeakPolarHBondContact O-CB 3.25Å; P631-L634 PolarHBondContact O-N 3Å; S632-L634 VanDerWaalsContact C-N 3.25Å; S632-L634 PolarHBondContact O-N 3.26Å; L634-S637 PolarHBondContact O-N 3.02Å; L634-F638 PolarHBondContact O-N 3.2Å; L634-F638 VanDerWaalsContact O-N 3.11Å; L634-L884 HydrophobicContact CD2-CB 3.49Å; L634-L884 VanDerWaalsContact CD2-CB 3.49Å; L634-L884 HydrophobicContact CD2-CD1 4.44Å; L634-L884 HydrophobicContact CG-CB 3.83Å; L634-C888 HydrophobicContact CD1-CB 3.65Å; L634-C888 VanDerWaalsContact CD1-SG 3.59Å
635Y96Very high94.3Very high7 Ų743 Ų433%0.02725%0.25CC..Hα-helixtrans-67.8-41.6175.6177.7-113.5000112.5L617 I621 K622 I625 S632 S637 F638 L639 L884L617-Y635 WeakPolarHBondContact CB-OH 3.44Å; L617-Y635 PolarHBondContact O-OH 3.21Å; L617-Y635 VanDerWaalsContact O-OH 3.13Å; I621-Y635 HydrophobicContact CG2-CD2 4.34Å; I621-Y635 HydrophobicContact CG2-CE2 3.96Å; K622-Y635 HydrophobicContact CB-CE1 3.86Å; K622-Y635 HydrophobicContact CD-CE1 4.23Å; K622-Y635 HydrophobicContact CG-CE1 3.87Å; I625-Y635 HydrophobicContact CD1-CD1 3.97Å; I625-Y635 HydrophobicContact CD1-CD2 3.33Å; I625-Y635 HydrophobicContact CD1-CE1 4.48Å; I625-Y635 HydrophobicContact CD1-CE2 3.94Å; I625-Y635 HydrophobicContact CD1-CG 3.34Å; S632-Y635 PolarHBondContact O-N 3.47Å; Y635-S637 VanDerWaalsContact C-N 3.3Å; Y635-S637 PolarHBondContact O-N 3.09Å; Y635-F638 HydrophobicContact CD2-CD1 4.25Å; Y635-F638 HydrophobicContact CE2-CD1 4.33Å; Y635-F638 WeakPolarHBondContact O-CB 3.3Å; Y635-F638 PolarHBondContact O-N 3.43Å; Y635-L639 HydrophobicContact CD1-CD1 3.91Å; Y635-L639 HydrophobicContact CD1-CG 4.35Å; Y635-L639 HydrophobicContact CE1-CD1 3.36Å; Y635-L639 HydrophobicContact CE1-CG 3.93Å; Y635-L639 HydrophobicContact CE2-CD1 4.45Å; Y635-L639 HydrophobicContact CE2-CD2 4.28Å; Y635-L639 HydrophobicContact CE2-CG 4.13Å; Y635-L639 PolarHBondContact O-N 3.04Å; Y635-L884 HydrophobicContact CD2-CD1 4.47Å; Y635-L884 HydrophobicContact CD2-CD2 4.33Å
636N95.9Very high94.4Very high29 Ų2943 Ų4316%0.15525%0.25CC..Hα-helixtrans-59.5-43.5174.9-69.57.5000110.7S632 F638 L639 L640 A678S632-N636 WeakPolarHBondContact O-CB 3.34Å; S632-N636 PolarHBondContact O-N 3.45Å; S632-N636 PolarHBondContact O-OD1 3.48Å; S632-N636 VanDerWaalsContact O-OD1 3.13Å; N636-F638 VanDerWaalsContact C-N 3.32Å; N636-F638 PolarHBondContact O-N 3.06Å; N636-L639 PolarHBondContact O-N 3.23Å; N636-L640 VanDerWaalsContact O-CG 3.31Å; N636-L640 WeakPolarHBondContact O-CG 3.44Å; N636-L640 PolarHBondContact O-N 3.48Å; N636-A678 HydrophobicContact CB-CB 4.07Å; N636-A678 PolarHBondContact ND2-O 3.33Å
637S95.6Very high94.5Very high56 Ų5640.3 Ų40.339%0.39224%0.237SC..Hα-helixtrans-60-42.7176.2-59.60000111.9S633 L634 Y635 K641S633-S637 WeakPolarHBondContact O-CB 3.27Å; S633-S637 PolarHBondContact O-N 3.08Å; S633-S637 PolarHBondContact O-OG 3.27Å; L634-S637 PolarHBondContact O-N 3.02Å; Y635-S637 VanDerWaalsContact C-N 3.3Å; Y635-S637 PolarHBondContact O-N 3.09Å; S637-K641 VanDerWaalsContact O-CG 3.32Å; S637-K641 WeakPolarHBondContact O-CG 3.37Å; S637-K641 PolarHBondContact O-N 3.06Å
638F96Very high94.6Very high4 Ų444.2 Ų44.22%0.01826%0.256CS..Hα-helixtrans-62.6-47.4174.8166.4-111.5000112.3L597 P598 L617 L634 Y635 N636 L640 K641 L642 L884 L887L597-F638 HydrophobicContact CD2-CZ 4.2Å; P598-F638 HydrophobicContact CG-CE2 4.4Å; L617-F638 HydrophobicContact CD1-CE1 4.14Å; L617-F638 HydrophobicContact CD2-CE1 3.89Å; L634-F638 PolarHBondContact O-N 3.2Å; L634-F638 VanDerWaalsContact O-N 3.11Å; Y635-F638 HydrophobicContact CD2-CD1 4.25Å; Y635-F638 HydrophobicContact CE2-CD1 4.33Å; Y635-F638 WeakPolarHBondContact O-CB 3.3Å; Y635-F638 PolarHBondContact O-N 3.43Å; N636-F638 VanDerWaalsContact C-N 3.32Å; N636-F638 PolarHBondContact O-N 3.06Å; F638-L640 VanDerWaalsContact C-N 3.34Å; F638-L640 PolarHBondContact O-N 3.04Å; F638-K641 PolarHBondContact O-N 2.91Å; F638-L642 HydrophobicContact CZ-CD2 4.32Å; F638-L642 PolarHBondContact O-N 3.48Å; F638-L884 HydrophobicContact CB-CD2 3.84Å; F638-L884 HydrophobicContact CD1-CD2 3.83Å; F638-L884 HydrophobicContact CG-CD2 3.84Å; F638-L887 HydrophobicContact CD2-CB 4.28Å; F638-L887 HydrophobicContact CD2-CD1 3.87Å; F638-L887 HydrophobicContact CE2-CD1 3.71Å; F638-L887 HydrophobicContact CZ-CD1 4.37Å
639L96.4Very high94.6Very high10 Ų1048.2 Ų48.25%0.05227%0.27CS..Hα-helixtrans-57.2-47.5177-77.2179.2000111.7L617 Y635 N636 K641 L642 V643 V673 A678L617-L639 HydrophobicContact CD1-CD2 3.81Å; Y635-L639 HydrophobicContact CD1-CD1 3.91Å; Y635-L639 HydrophobicContact CD1-CG 4.35Å; Y635-L639 HydrophobicContact CE1-CD1 3.36Å; Y635-L639 HydrophobicContact CE1-CG 3.93Å; Y635-L639 HydrophobicContact CE2-CD1 4.45Å; Y635-L639 HydrophobicContact CE2-CD2 4.28Å; Y635-L639 HydrophobicContact CE2-CG 4.13Å; Y635-L639 PolarHBondContact O-N 3.04Å; N636-L639 PolarHBondContact O-N 3.23Å; L639-K641 PolarHBondContact O-N 3.27Å; L639-L642 WeakPolarHBondContact O-CB 3.43Å; L639-L642 PolarHBondContact O-N 2.98Å; L639-L642 VanDerWaalsContact O-N 3.12Å; L639-V643 WeakPolarHBondContact O-CG2 3.37Å; L639-V643 PolarHBondContact O-N 3.42Å; L639-V673 HydrophobicContact CD1-CG1 4.23Å; L639-V673 HydrophobicContact CD2-CG1 4.36Å; L639-A678 HydrophobicContact CB-CB 4.34Å; L639-A678 HydrophobicContact CD1-CB 4.5Å
640L96Very high94.4Very high31 Ų3142.2 Ų42.216%0.16224%0.237CC..Hα-helixtrans-61-45.8178.5-67.9178.2000111.2N636 F638 L642 V643 Y644 A674 A678 D680N636-L640 VanDerWaalsContact O-CG 3.31Å; N636-L640 WeakPolarHBondContact O-CG 3.44Å; N636-L640 PolarHBondContact O-N 3.48Å; F638-L640 VanDerWaalsContact C-N 3.34Å; F638-L640 PolarHBondContact O-N 3.04Å; L640-L642 PolarHBondContact O-N 2.9Å; L640-V643 PolarHBondContact O-N 3.12Å; L640-Y644 HydrophobicContact CB-CD2 3.97Å; L640-Y644 HydrophobicContact CB-CE2 4.19Å; L640-Y644 HydrophobicContact CD2-CD2 4.29Å; L640-Y644 HydrophobicContact CD2-CE2 3.93Å; L640-Y644 HydrophobicContact CG-CE2 4.46Å; L640-Y644 VanDerWaalsContact O-CB 3.31Å; L640-Y644 WeakPolarHBondContact O-CB 3.42Å; L640-Y644 WeakPolarHBondContact O-CD2 3.31Å; L640-Y644 PolarHBondContact O-N 3.33Å; L640-A674 HydrophobicContact CD2-CB 3.9Å; L640-A678 HydrophobicContact CD1-CB 4.37Å; L640-A678 HydrophobicContact CD2-CB 3.69Å; L640-A678 HydrophobicContact CG-CB 3.78Å; L640-D680 HydrophobicContact CD1-CB 4.43Å; L640-D680 HydrophobicContact CD2-CB 3.87Å
641K93.7Very high94.1Very high65 Ų6543 Ų4328%0.28325%0.249SC..Hα-helixtrans-57.7-33.8175.5-74.9-176.9-177.1-157.70112.3S637 F638 L639 P645 C888 L891 N892S637-K641 VanDerWaalsContact O-CG 3.32Å; S637-K641 WeakPolarHBondContact O-CG 3.37Å; S637-K641 PolarHBondContact O-N 3.06Å; F638-K641 PolarHBondContact O-N 2.91Å; L639-K641 PolarHBondContact O-N 3.27Å; K641-P645 VanDerWaalsContact O-CD 3.27Å; K641-P645 WeakPolarHBondContact O-CD 3.35Å; K641-C888 PolarHBondContact NZ-O 3.16Å; K641-L891 HydrophobicContact CD-CB 3.94Å; K641-L891 HydrophobicContact CD-CD1 4.41Å; K641-L891 PolarHBondContact NZ-O 3.18Å; K641-N892 PolarHBondContact NZ-OD1 3.18Å; K641-N892 VanDerWaalsContact NZ-OD1 3.16Å
642L95.4Very high93.6Very high11 Ų1139.3 Ų39.36%0.05823%0.225CC..Hα-helixtrans-75.4-45.8179.4-165.966.6000112.6L597 M601 W610 V613 L617 F638 L639 L640 P645L597-L642 HydrophobicContact CD2-CD2 4.3Å; M601-L642 HydrophobicContact CB-CD1 3.89Å; M601-L642 HydrophobicContact CG-CD1 4.05Å; W610-L642 HydrophobicContact CH2-CG 4.02Å; W610-L642 WeakPolarHBondContact CH2-O 3.37Å; W610-L642 HydrophobicContact CZ3-CD2 4.2Å; W610-L642 HydrophobicContact CZ3-CG 3.95Å; V613-L642 HydrophobicContact CG1-CD2 4.09Å; L617-L642 HydrophobicContact CD1-CD2 3.85Å; F638-L642 HydrophobicContact CZ-CD2 4.32Å; F638-L642 PolarHBondContact O-N 3.48Å; L639-L642 WeakPolarHBondContact O-CB 3.43Å; L639-L642 PolarHBondContact O-N 2.98Å; L639-L642 VanDerWaalsContact O-N 3.12Å; L640-L642 PolarHBondContact O-N 2.9Å; L642-P645 WeakPolarHBondContact O-CD 3.22Å
643V96.1Very high93Very high0 Ų038.4 Ų38.40%021%0.214CC..Hα-helixtrans-89.7-23.5-172-56.70000114.5W610 L614 L639 L640 V646 I647 V670 V673 A674W610-V643 HydrophobicContact CZ3-CG1 4.07Å; L614-V643 HydrophobicContact CD2-CG1 4.23Å; L639-V643 WeakPolarHBondContact O-CG2 3.37Å; L639-V643 PolarHBondContact O-N 3.42Å; L640-V643 PolarHBondContact O-N 3.12Å; V643-V646 WeakPolarHBondContact O-CG1 3.34Å; V643-V646 PolarHBondContact O-N 3.35Å; V643-I647 HydrophobicContact CB-CD1 4.32Å; V643-I647 HydrophobicContact CG2-CD1 3.92Å; V643-I647 WeakPolarHBondContact O-CG1 3.44Å; V643-I647 PolarHBondContact O-N 3.3Å; V643-I647 VanDerWaalsContact O-N 3.08Å; V643-V670 HydrophobicContact CB-CB 4.39Å; V643-V673 HydrophobicContact CG1-CG1 4.45Å; V643-A674 HydrophobicContact CG2-CB 4.06Å
644Y94.3Very high92Very high49 Ų4943.7 Ų43.719%0.19223%0.227CC..Hα-helixtrans-60.8-38.6-179.5-101.2-69.8000114.9L640 V646 I647 N648 D680L640-Y644 HydrophobicContact CB-CD2 3.97Å; L640-Y644 HydrophobicContact CB-CE2 4.19Å; L640-Y644 HydrophobicContact CD2-CD2 4.29Å; L640-Y644 HydrophobicContact CD2-CE2 3.93Å; L640-Y644 HydrophobicContact CG-CE2 4.46Å; L640-Y644 VanDerWaalsContact O-CB 3.31Å; L640-Y644 WeakPolarHBondContact O-CB 3.42Å; L640-Y644 WeakPolarHBondContact O-CD2 3.31Å; L640-Y644 PolarHBondContact O-N 3.33Å; Y644-V646 VanDerWaalsContact C-N 3.28Å; Y644-V646 PolarHBondContact O-N 2.78Å; Y644-I647 PolarHBondContact O-N 2.97Å; Y644-N648 VanDerWaalsContact O-CB 3.31Å; Y644-N648 WeakPolarHBondContact O-CB 3.48Å; Y644-N648 VanDerWaalsContact O-CG 3.27Å; Y644-N648 PolarHBondContact O-N 3.26Å; Y644-N648 PolarHBondContact O-ND2 3.24Å; Y644-D680 WeakPolarHBondContact CE2-OD2 3.16Å; Y644-D680 PolarHBondContact OH-OD1 3.2Å; Y644-D680 PolarHBondContact OH-OD2 3.34Å
645P94.8Very high90.8Very high82 Ų8245.9 Ų45.953%0.53224%0.239SC..Hα-helixtrans-53.5-43.9175-29.736.6000113K641 L642 K649K641-P645 VanDerWaalsContact O-CD 3.27Å; K641-P645 WeakPolarHBondContact O-CD 3.35Å; L642-P645 WeakPolarHBondContact O-CD 3.22Å; P645-K649 WeakPolarHBondContact O-CB 3.3Å; P645-K649 PolarHBondContact O-N 3.49Å
646V94.8Very high89.2Confident3 Ų346.7 Ų46.72%0.01825%0.245CC..Hα-helixtrans-73.7-41.5178.761.50000112.2W610 V643 Y644 N648 K649 L650 L666 V670W610-V646 HydrophobicContact CH2-CG1 4.2Å; W610-V646 HydrophobicContact CZ2-CB 4.12Å; W610-V646 HydrophobicContact CZ2-CG1 3.73Å; V643-V646 WeakPolarHBondContact O-CG1 3.34Å; V643-V646 PolarHBondContact O-N 3.35Å; Y644-V646 VanDerWaalsContact C-N 3.28Å; Y644-V646 PolarHBondContact O-N 2.78Å; V646-N648 VanDerWaalsContact C-N 3.31Å; V646-N648 PolarHBondContact O-N 2.89Å; V646-K649 PolarHBondContact O-N 3.3Å; V646-L650 HydrophobicContact CG2-CD1 3.66Å; V646-L650 HydrophobicContact CG2-CG 4.3Å; V646-L650 WeakPolarHBondContact O-CB 3.39Å; V646-L650 PolarHBondContact O-N 3.11Å; V646-L666 HydrophobicContact CG2-CD2 3.92Å; V646-V670 HydrophobicContact CG1-CG1 4.1Å
647I94.4Very high88Confident2 Ų251 Ų511%0.0127%0.269CS..Hα-helixtrans-56.2-46.9175.1-68.9170000111.1V643 Y644 G651 L652 I653 V670 L671 A674 I683V643-I647 HydrophobicContact CB-CD1 4.32Å; V643-I647 HydrophobicContact CG2-CD1 3.92Å; V643-I647 WeakPolarHBondContact O-CG1 3.44Å; V643-I647 PolarHBondContact O-N 3.3Å; V643-I647 VanDerWaalsContact O-N 3.08Å; Y644-I647 PolarHBondContact O-N 2.97Å; I647-G651 PolarHBondContact O-N 2.94Å; I647-G651 VanDerWaalsContact O-N 3.1Å; I647-L652 PolarHBondContact O-N 3.26Å; I647-L652 VanDerWaalsContact O-N 3.08Å; I647-I653 HydrophobicContact CG2-CD1 3.84Å; I647-I653 HydrophobicContact CG2-CG1 3.92Å; I647-V670 HydrophobicContact CD1-CB 4.36Å; I647-V670 HydrophobicContact CD1-CG2 4.17Å; I647-V670 HydrophobicContact CG1-CB 4.18Å; I647-V670 HydrophobicContact CG1-CG2 3.59Å; I647-L671 HydrophobicContact CD1-CD2 4.16Å; I647-L671 HydrophobicContact CG1-CD2 4.34Å; I647-L671 HydrophobicContact CG2-CD2 4.37Å; I647-A674 HydrophobicContact CD1-CB 4.08Å; I647-I683 HydrophobicContact CD1-CD1 4.17Å
648N93Very high87.1Confident109 Ų10954.3 Ų54.358%0.58329%0.291SS*.Hα-helixtrans-72-45.9-177.7-70.9-25.5000112Y644 V646 L650 G651Y644-N648 VanDerWaalsContact O-CB 3.31Å; Y644-N648 WeakPolarHBondContact O-CB 3.48Å; Y644-N648 VanDerWaalsContact O-CG 3.27Å; Y644-N648 PolarHBondContact O-N 3.26Å; Y644-N648 PolarHBondContact O-ND2 3.24Å; V646-N648 VanDerWaalsContact C-N 3.31Å; V646-N648 PolarHBondContact O-N 2.89Å; N648-L650 VanDerWaalsContact C-N 3.33Å; N648-L650 PolarHBondContact O-N 3.48Å; N648-G651 PolarHBondContact O-N 2.99Å
649K91.4Very high86.7Confident113 Ų11355.6 Ų55.649%0.49130%0.298SS..Hα-helixtrans-60.5-42.2-178.4-179.8179180179.20112.2N603 P645 V646N603-K649 PolarHBondContact OD1-NZ 3.27Å; N603-K649 VanDerWaalsContact OD1-NZ 3.1Å; P645-K649 WeakPolarHBondContact O-CB 3.3Å; P645-K649 PolarHBondContact O-N 3.49Å; V646-K649 PolarHBondContact O-N 3.3Å
650L89.4Confident86.5Confident46 Ų4659.1 Ų59.124%0.24132%0.321CS..Hα-helixtrans-92.6-3.2-177.4-61.4178.3000113.1V646 N648 L652 T663 L666V646-L650 HydrophobicContact CG2-CD1 3.66Å; V646-L650 HydrophobicContact CG2-CG 4.3Å; V646-L650 WeakPolarHBondContact O-CB 3.39Å; V646-L650 PolarHBondContact O-N 3.11Å; N648-L650 VanDerWaalsContact C-N 3.33Å; N648-L650 PolarHBondContact O-N 3.48Å; L650-L652 VanDerWaalsContact C-N 3.27Å; L650-L652 HydrophobicContact CB-CD1 4.23Å; L650-L652 HydrophobicContact CB-CD2 3.49Å; L650-L652 VanDerWaalsContact CB-CD2 3.49Å; L650-L652 HydrophobicContact CB-CG 3.64Å; L650-L652 HydrophobicContact CD1-CD1 4.31Å; L650-L652 HydrophobicContact CD1-CD2 4.25Å; L650-L652 PolarHBondContact O-N 3.3Å; L650-T663 HydrophobicContact CD1-CG2 4.36Å; L650-L666 HydrophobicContact CD1-CD2 4.21Å
651G88.1Confident86.4Confident30 Ų3058.6 Ų58.631%0.30932%0.318SS..THydrogen-bonded Turntrans62.133.5179.100000113.4I647 N648 I653 K654 N655I647-G651 PolarHBondContact O-N 2.94Å; I647-G651 VanDerWaalsContact O-N 3.1Å; N648-G651 PolarHBondContact O-N 2.99Å; G651-I653 PolarHBondContact O-N 3.16Å; G651-I653 VanDerWaalsContact O-N 3.13Å; G651-K654 PolarHBondContact O-N 3.38Å; G651-N655 WeakPolarHBondContact O-CB 3.27Å; G651-N655 PolarHBondContact O-N 2.94Å
652L83.6Confident86.4Confident0 Ų056.3 Ų56.30%031%0.309CS..THydrogen-bonded Turntrans-64.1-24.9-162.9-65.4-178.7000114.6I647 L650 L659 T663 R667 V670I647-L652 PolarHBondContact O-N 3.26Å; I647-L652 VanDerWaalsContact O-N 3.08Å; L650-L652 VanDerWaalsContact C-N 3.27Å; L650-L652 HydrophobicContact CB-CD1 4.23Å; L650-L652 HydrophobicContact CB-CD2 3.49Å; L650-L652 VanDerWaalsContact CB-CD2 3.49Å; L650-L652 HydrophobicContact CB-CG 3.64Å; L650-L652 HydrophobicContact CD1-CD1 4.31Å; L650-L652 HydrophobicContact CD1-CD2 4.25Å; L650-L652 PolarHBondContact O-N 3.3Å; L652-L659 HydrophobicContact CD2-CD1 4.45Å; L652-T663 HydrophobicContact CD2-CG2 4.42Å; L652-R667 HydrophobicContact CB-CB 4.42Å; L652-R667 HydrophobicContact CB-CG 4.03Å; L652-R667 HydrophobicContact CD1-CB 4.31Å; L652-R667 HydrophobicContact CD2-CB 3.95Å; L652-R667 HydrophobicContact CD2-CG 4.34Å; L652-R667 HydrophobicContact CG-CB 4.42Å; L652-R667 WeakPolarHBondContact O-CD 3.49Å; L652-V670 HydrophobicContact CD1-CG2 3.64Å
653I78.7Confident86.4Confident50 Ų5057.3 Ų57.326%0.25632%0.316SS..THydrogen-bonded Turntrans-74-35.8176.1-61.5171.3000111.3I647 G651 L671 I683 E686I647-I653 HydrophobicContact CG2-CD1 3.84Å; I647-I653 HydrophobicContact CG2-CG1 3.92Å; G651-I653 PolarHBondContact O-N 3.16Å; G651-I653 VanDerWaalsContact O-N 3.13Å; I653-L671 HydrophobicContact CG1-CD2 3.75Å; I653-I683 HydrophobicContact CD1-CD1 4.39Å; I653-I683 HydrophobicContact CD1-CG1 3.88Å; I653-E686 HydrophobicContact CG2-CG 3.96Å
654K74.5Confident86.2Confident191 Ų19157.9 Ų57.983%0.8332%0.32SS*.THydrogen-bonded Turntrans-98-30.6-170.2-66.5-179179.7177.70113.5G651 C656G651-K654 PolarHBondContact O-N 3.38Å; K654-C656 PolarHBondContact O-N 2.78Å
655N68.3Low86.3Confident76 Ų7656.2 Ų56.241%0.40631%0.314SS..  trans-89.877.4-168.8-169.28.1000111.8G651 R667G651-N655 WeakPolarHBondContact O-CB 3.27Å; G651-N655 PolarHBondContact O-N 2.94Å; N655-R667 PolarHBondContact O-NH1 2.77Å
656C63.9Low86.3Confident24 Ų2452.3 Ų52.316%0.16229%0.288CS..  trans-73.2-25.2-172.3-65.70000115.3K654 R667 P702K654-C656 PolarHBondContact O-N 2.78Å; C656-R667 VanDerWaalsContact CA-NH1 3.32Å; C656-R667 PolarHBondContact O-NH2 3.46Å; C656-P702 HydrophobicContact CB-CG 3.91Å
657D69.8Low86.3Confident120 Ų12052.3 Ų52.364%0.64229%0.288SS*.SBendtrans-112.8139.5-164.7-55.2-34.9000111.7
658S76.1Confident86.3Confident124 Ų12452.7 Ų52.787%0.86729%0.291SS*.  trans66.831.716868.20000118.4
659L89.1Confident86.4Confident32 Ų3248.6 Ų48.617%0.16827%0.269CS..  trans-73.8145.9172.7-66.6179.4000112.4L652 T663 S664 R667L652-L659 HydrophobicContact CD2-CD1 4.45Å; L659-T663 HydrophobicContact CB-CG2 4.49Å; L659-T663 HydrophobicContact CD1-CG2 4.36Å; L659-T663 HydrophobicContact CD2-CG2 4.11Å; L659-S664 VanDerWaalsContact CB-OG 3.27Å; L659-S664 WeakPolarHBondContact CB-OG 3.32Å; L659-S664 PolarHBondContact O-OG 2.94Å; L659-R667 VanDerWaalsContact CD1-CZ 3.42Å
660P91.6Very high86.7Confident83 Ų8343.2 Ų43.254%0.53925%0.246SC..  trans-55.7157.5166.9-24.233.9000112.1N662 T663 S664P660-N662 PolarHBondContact O-N 3.31Å; P660-T663 PolarHBondContact O-N 3.41Å; P660-S664 PolarHBondContact O-N 3.36Å; P660-S664 PolarHBondContact O-OG 3.24Å
661H93.4Very high86.9Confident20 Ų2041.6 Ų41.69%0.09324%0.237CC..Hα-helixtrans-52.9-59.8-174.6-174.282.1000112.7P289 M342 T663 S664 M665P289-H661 PolarHBondContact O-CE1 3.01Å; M342-H661 HydrophobicContact CG-CB 4.48Å; M342-H661 PolarHBondContact O-CD2 2.83Å; H661-T663 VanDerWaalsContact C-N 3.29Å; H661-T663 PolarHBondContact O-N 3.27Å; H661-S664 WeakPolarHBondContact O-CB 3.45Å; H661-S664 PolarHBondContact O-N 3.1Å; H661-S664 VanDerWaalsContact O-N 3.09Å; H661-M665 PolarHBondContact NE2-SD 2.57Å; H661-M665 PolarHBondContact O-N 3.04Å
662N94.3Very high87.3Confident17 Ų1741.6 Ų41.69%0.09123%0.232CC..Hα-helixtrans-65.6-29.8-179.6-74.3-5000113.1M342 D343 H347 P660 M665 L666M342-N662 PolarHBondContact O-OD1 2.83Å; D343-N662 PolarHBondContact OD2-ND2 3.24Å; H347-N662 PolarHBondContact CE1-OD1 2.83Å; H347-N662 PolarHBondContact NE2-OD1 3.06Å; P660-N662 PolarHBondContact O-N 3.31Å; N662-M665 PolarHBondContact O-N 3.28Å; N662-L666 VanDerWaalsContact O-CB 3.29Å; N662-L666 WeakPolarHBondContact O-CB 3.31Å; N662-L666 PolarHBondContact O-N 3.16Å
663T94.1Very high87.9Confident33 Ų3343 Ų4320%0.20224%0.241CC..Hα-helixtrans-68.7-37.2174-52.30000111.7L650 L652 L659 P660 H661 L666 R667L650-T663 HydrophobicContact CD1-CG2 4.36Å; L652-T663 HydrophobicContact CD2-CG2 4.42Å; L659-T663 HydrophobicContact CB-CG2 4.49Å; L659-T663 HydrophobicContact CD1-CG2 4.36Å; L659-T663 HydrophobicContact CD2-CG2 4.11Å; P660-T663 PolarHBondContact O-N 3.41Å; H661-T663 VanDerWaalsContact C-N 3.29Å; H661-T663 PolarHBondContact O-N 3.27Å; T663-L666 PolarHBondContact O-N 2.96Å; T663-R667 WeakPolarHBondContact O-CB 3.47Å; T663-R667 PolarHBondContact O-N 3.46Å
664S93.7Very high88.7Confident11 Ų1140.7 Ų40.78%0.07723%0.229CC..Hα-helixtrans-65.8-45174.7-52.30000110.8L659 P660 H661 L666 R667 S668L659-S664 VanDerWaalsContact CB-OG 3.27Å; L659-S664 WeakPolarHBondContact CB-OG 3.32Å; L659-S664 PolarHBondContact O-OG 2.94Å; P660-S664 PolarHBondContact O-N 3.36Å; P660-S664 PolarHBondContact O-OG 3.24Å; H661-S664 WeakPolarHBondContact O-CB 3.45Å; H661-S664 PolarHBondContact O-N 3.1Å; H661-S664 VanDerWaalsContact O-N 3.09Å; S664-L666 VanDerWaalsContact C-N 3.34Å; S664-L666 PolarHBondContact O-N 3.47Å; S664-R667 WeakPolarHBondContact O-CB 3.42Å; S664-R667 PolarHBondContact O-N 3.25Å; S664-S668 PolarHBondContact O-N 3.47Å; S664-S668 VanDerWaalsContact O-N 3.11Å; S664-S668 PolarHBondContact O-OG 3.43Å
665M94.6Very high89.8Confident14 Ų1431.6 Ų31.67%0.06919%0.189CC..Hα-helixtrans-63.3-40175.5-65.3-175.978.100112.5P289 E293 H347 Y607 H661 N662 R667 S668 L669P289-M665 HydrophobicContact CB-CG 3.83Å; E293-M665 WeakPolarHBondContact OE2-CE 3.48Å; H347-M665 VanDerWaalsContact CE1-SD 3.57Å; Y607-M665 HydrophobicContact CD1-CB 4.32Å; Y607-M665 HydrophobicContact CD1-CE 4.25Å; Y607-M665 HydrophobicContact CD1-SD 4.34Å; Y607-M665 HydrophobicContact CD2-CB 3.52Å; Y607-M665 HydrophobicContact CE1-CB 4.45Å; Y607-M665 HydrophobicContact CE1-CE 3.57Å; Y607-M665 HydrophobicContact CE1-SD 4.24Å; Y607-M665 HydrophobicContact CE2-CB 3.64Å; Y607-M665 HydrophobicContact CE2-CE 4.27Å; Y607-M665 HydrophobicContact CG-CB 3.86Å; H661-M665 PolarHBondContact NE2-SD 2.57Å; H661-M665 PolarHBondContact O-N 3.04Å; N662-M665 PolarHBondContact O-N 3.28Å; M665-R667 VanDerWaalsContact C-N 3.34Å; M665-S668 PolarHBondContact O-N 3.26Å; M665-L669 WeakPolarHBondContact O-CB 3.26Å; M665-L669 PolarHBondContact O-N 3.47Å
666L95.8Very high91.1Very high0 Ų028 Ų280%017%0.17CC..Hα-helixtrans-62.9-42.9174.8178.360.5000111.3N605 Y607 W610 V646 L650 N662 T663 S664 S668 L669 V670N605-L666 WeakPolarHBondContact O-CD2 2.85Å; Y607-L666 HydrophobicContact CD2-CB 4.42Å; W610-L666 HydrophobicContact CB-CD1 3.5Å; W610-L666 VanDerWaalsContact CD1-CD1 3.49Å; W610-L666 HydrophobicContact CD2-CD1 4.34Å; W610-L666 HydrophobicContact CG-CD1 3.48Å; W610-L666 VanDerWaalsContact CG-CD1 3.48Å; V646-L666 HydrophobicContact CG2-CD2 3.92Å; L650-L666 HydrophobicContact CD1-CD2 4.21Å; N662-L666 VanDerWaalsContact O-CB 3.29Å; N662-L666 WeakPolarHBondContact O-CB 3.31Å; N662-L666 PolarHBondContact O-N 3.16Å; T663-L666 PolarHBondContact O-N 2.96Å; S664-L666 VanDerWaalsContact C-N 3.34Å; S664-L666 PolarHBondContact O-N 3.47Å; L666-S668 PolarHBondContact O-N 3.07Å; L666-L669 PolarHBondContact O-N 3.36Å; L666-V670 HydrophobicContact CD1-CG1 3.64Å; L666-V670 HydrophobicContact CG-CG1 4.29Å; L666-V670 WeakPolarHBondContact O-CG2 3.09Å; L666-V670 PolarHBondContact O-N 2.81Å
667R94.8Very high92.5Very high4 Ų427.7 Ų27.72%0.01517%0.171CC..Hα-helixtrans-53.4-54.7176172.316967.6-179.2-2.3111.6L652 N655 C656 L659 T663 S664 M665 L669 V670 L671 D704 L705L652-R667 HydrophobicContact CB-CB 4.42Å; L652-R667 HydrophobicContact CB-CG 4.03Å; L652-R667 HydrophobicContact CD1-CB 4.31Å; L652-R667 HydrophobicContact CD2-CB 3.95Å; L652-R667 HydrophobicContact CD2-CG 4.34Å; L652-R667 HydrophobicContact CG-CB 4.42Å; L652-R667 WeakPolarHBondContact O-CD 3.49Å; N655-R667 PolarHBondContact O-NH1 2.77Å; C656-R667 VanDerWaalsContact CA-NH1 3.32Å; C656-R667 PolarHBondContact O-NH2 3.46Å; L659-R667 VanDerWaalsContact CD1-CZ 3.42Å; T663-R667 WeakPolarHBondContact O-CB 3.47Å; T663-R667 PolarHBondContact O-N 3.46Å; S664-R667 WeakPolarHBondContact O-CB 3.42Å; S664-R667 PolarHBondContact O-N 3.25Å; M665-R667 VanDerWaalsContact C-N 3.34Å; R667-L669 VanDerWaalsContact C-N 3.31Å; R667-L669 PolarHBondContact O-N 3.4Å; R667-V670 PolarHBondContact O-N 3.2Å; R667-L671 HydrophobicContact CG-CD1 3.78Å; R667-L671 HydrophobicContact CG-CG 4.41Å; R667-L671 WeakPolarHBondContact O-CB 3.21Å; R667-L671 VanDerWaalsContact O-CG 3.3Å; R667-L671 WeakPolarHBondContact O-CG 3.41Å; R667-L671 PolarHBondContact O-N 2.91Å; R667-D704 IonicContact CZ-OD1 3.35Å; R667-D704 IonicContact CZ-OD2 3.72Å; R667-D704 IonicContact NE-OD1 2.87Å; R667-D704 IonicContact NE-OD2 3.43Å; R667-D704 PolarHBondContact NE-OD2 3.46Å; R667-D704 IonicContact NH2-OD1 2.9Å; R667-D704 PolarHBondContact NH2-OD1 3.19Å; R667-D704 IonicContact NH2-OD2 2.83Å; R667-D704 PolarHBondContact NH2-OD2 2.75Å; R667-L705 HydrophobicContact CG-CD2 3.81Å
668S94.3Very high93.7Very high9 Ų922.2 Ų22.26%0.06314%0.143CC..Hα-helixtrans-55.6-50.1178.2-54.30000110.7S664 M665 L666 V670 L671 S672 D704 E708S664-S668 PolarHBondContact O-N 3.47Å; S664-S668 VanDerWaalsContact O-N 3.11Å; S664-S668 PolarHBondContact O-OG 3.43Å; M665-S668 PolarHBondContact O-N 3.26Å; L666-S668 PolarHBondContact O-N 3.07Å; S668-V670 PolarHBondContact O-N 3.35Å; S668-L671 PolarHBondContact O-N 3.1Å; S668-S672 VanDerWaalsContact O-CB 3.31Å; S668-S672 WeakPolarHBondContact O-CB 3.37Å; S668-S672 PolarHBondContact O-N 3.41Å; S668-D704 WeakPolarHBondContact CB-O 3.45Å; S668-D704 PolarHBondContact OG-O 2.86Å; S668-E708 WeakPolarHBondContact O-CG 3.47Å
669L95.7Very high94.6Very high24 Ų2420.2 Ų20.213%0.12612%0.12CC..Hα-helixtrans-57.1-52-178.9178.962.1000113.1Y607 W610 R611 L614 M665 L666 R667 V673Y607-L669 HydrophobicContact CD2-CD2 4.09Å; Y607-L669 HydrophobicContact CE2-CB 4.21Å; Y607-L669 HydrophobicContact CE2-CD2 3.87Å; W610-L669 HydrophobicContact CB-CD2 4.28Å; R611-L669 HydrophobicContact CB-CD2 4.05Å; L614-L669 HydrophobicContact CD1-CD1 4.04Å; L614-L669 HydrophobicContact CD1-CD2 3.81Å; L614-L669 HydrophobicContact CD1-CG 3.61Å; M665-L669 WeakPolarHBondContact O-CB 3.26Å; M665-L669 PolarHBondContact O-N 3.47Å; L666-L669 PolarHBondContact O-N 3.36Å; R667-L669 VanDerWaalsContact C-N 3.31Å; R667-L669 PolarHBondContact O-N 3.4Å; L669-V673 WeakPolarHBondContact O-CG2 3.22Å; L669-V673 PolarHBondContact O-N 3.42Å; L669-V673 VanDerWaalsContact O-N 3.14Å
670V96.5Very high94.9Very high0 Ų019.5 Ų19.50%012%0.116CC..Hα-helixtrans-73.3-35-175-60.30000112.7V643 V646 I647 L652 L666 R667 S668 V673 A674V643-V670 HydrophobicContact CB-CB 4.39Å; V646-V670 HydrophobicContact CG1-CG1 4.1Å; I647-V670 HydrophobicContact CD1-CB 4.36Å; I647-V670 HydrophobicContact CD1-CG2 4.17Å; I647-V670 HydrophobicContact CG1-CB 4.18Å; I647-V670 HydrophobicContact CG1-CG2 3.59Å; L652-V670 HydrophobicContact CD1-CG2 3.64Å; L666-V670 HydrophobicContact CD1-CG1 3.64Å; L666-V670 HydrophobicContact CG-CG1 4.29Å; L666-V670 WeakPolarHBondContact O-CG2 3.09Å; L666-V670 PolarHBondContact O-N 2.81Å; R667-V670 PolarHBondContact O-N 3.2Å; S668-V670 PolarHBondContact O-N 3.35Å; V670-V673 PolarHBondContact O-N 2.72Å; V670-A674 WeakPolarHBondContact O-CB 3.49Å; V670-A674 PolarHBondContact O-N 2.97Å
671L95.1Very high95.1Very high12 Ų1221.4 Ų21.46%0.06312%0.122CC..Hα-helixtrans-70.2-36.2177.2-67.6-178.3000111.6I647 I653 R667 S668 A674 G675 I683 L705I647-L671 HydrophobicContact CD1-CD2 4.16Å; I647-L671 HydrophobicContact CG1-CD2 4.34Å; I647-L671 HydrophobicContact CG2-CD2 4.37Å; I653-L671 HydrophobicContact CG1-CD2 3.75Å; R667-L671 HydrophobicContact CG-CD1 3.78Å; R667-L671 HydrophobicContact CG-CG 4.41Å; R667-L671 WeakPolarHBondContact O-CB 3.21Å; R667-L671 VanDerWaalsContact O-CG 3.3Å; R667-L671 WeakPolarHBondContact O-CG 3.41Å; R667-L671 PolarHBondContact O-N 2.91Å; S668-L671 PolarHBondContact O-N 3.1Å; L671-A674 PolarHBondContact O-N 3.21Å; L671-G675 PolarHBondContact O-N 2.93Å; L671-I683 HydrophobicContact CD2-CD1 3.96Å; L671-I683 HydrophobicContact CD2-CG1 4.4Å; L671-L705 HydrophobicContact CD1-CD2 3.9Å
672S94.7Very high95.1Very high30 Ų3026.1 Ų26.121%0.2115%0.147CC..Hα-helixtrans-60.7-47.6171.5-171.70000111.6S668 A674 A676 G677S668-S672 VanDerWaalsContact O-CB 3.31Å; S668-S672 WeakPolarHBondContact O-CB 3.37Å; S668-S672 PolarHBondContact O-N 3.41Å; S672-A674 PolarHBondContact O-N 2.95Å; S672-A676 WeakPolarHBondContact O-CA 3.47Å; S672-A676 VanDerWaalsContact O-CB 3.28Å; S672-A676 WeakPolarHBondContact O-CB 3.24Å; S672-A676 PolarHBondContact O-N 3.35Å; S672-G677 PolarHBondContact O-N 3.26Å
673V96.1Very high95.1Very high30 Ų3025.7 Ų25.718%0.18215%0.145CC..Iπ-helixtrans-61.7-46.5177.7168.50000111.4L614 L639 V643 L669 V670 G677 A678L614-V673 HydrophobicContact CD1-CG2 4.01Å; L614-V673 HydrophobicContact CD2-CG1 4.11Å; L614-V673 HydrophobicContact CD2-CG2 4.18Å; L614-V673 HydrophobicContact CG-CG2 4.49Å; L639-V673 HydrophobicContact CD1-CG1 4.23Å; L639-V673 HydrophobicContact CD2-CG1 4.36Å; V643-V673 HydrophobicContact CG1-CG1 4.45Å; L669-V673 WeakPolarHBondContact O-CG2 3.22Å; L669-V673 PolarHBondContact O-N 3.42Å; L669-V673 VanDerWaalsContact O-N 3.14Å; V670-V673 PolarHBondContact O-N 2.72Å; V673-G677 CarbonylContact O-C 3.52Å; V673-G677 WeakPolarHBondContact O-CA 3.46Å; V673-G677 PolarHBondContact O-N 2.68Å; V673-A678 PolarHBondContact O-N 3.26Å
674A97Very high95.2Very high0 Ų024.4 Ų24.40%014%0.137CC..Iπ-helixtrans-70.8-46.9-177.100000112.6L640 V643 I647 V670 L671 S672 A678 E679 D680 I683L640-A674 HydrophobicContact CD2-CB 3.9Å; V643-A674 HydrophobicContact CG2-CB 4.06Å; I647-A674 HydrophobicContact CD1-CB 4.08Å; V670-A674 WeakPolarHBondContact O-CB 3.49Å; V670-A674 PolarHBondContact O-N 2.97Å; L671-A674 PolarHBondContact O-N 3.21Å; S672-A674 PolarHBondContact O-N 2.95Å; A674-A678 CarbonylContact O-C 3.52Å; A674-E679 PolarHBondContact O-N 3.27Å; A674-E679 VanDerWaalsContact O-N 3.15Å; A674-D680 WeakPolarHBondContact O-CB 3.47Å; A674-D680 PolarHBondContact O-N 2.78Å; A674-I683 HydrophobicContact CB-CD1 3.38Å
675G96.4Very high95.4Very high0 Ų028.9 Ų28.90%016%0.157CC..Iπ-helixtrans-77.6-59.6-178.500000113.1L671 E679 H716L671-G675 PolarHBondContact O-N 2.93Å; G675-E679 WeakPolarHBondContact O-CA 3.49Å; G675-E679 PolarHBondContact O-N 3.14Å; G675-H716 PolarHBondContact O-CD2 3.45Å; G675-H716 PolarHBondContact O-NE2 2.68Å
676A95.3Very high95.3Very high0 Ų030.7 Ų30.70%017%0.165CC..Iπ-helixtrans-77.5-41.9-174.800000111.7S672 T711 I712 R715 H716 W795S672-A676 WeakPolarHBondContact O-CA 3.47Å; S672-A676 VanDerWaalsContact O-CB 3.28Å; S672-A676 WeakPolarHBondContact O-CB 3.24Å; S672-A676 PolarHBondContact O-N 3.35Å; A676-T711 HydrophobicContact CB-CG2 3.92Å; A676-I712 HydrophobicContact CB-CG1 3.92Å; A676-R715 WeakPolarHBondContact O-CD 3.35Å; A676-R715 PolarHBondContact O-NE 2.82Å; A676-H716 PolarHBondContact O-NE2 3.35Å; A676-W795 HydrophobicContact CB-CH2 3.59Å; A676-W795 HydrophobicContact CB-CZ3 3.79Å
677G93.3Very high95.3Very high18 Ų1830.8 Ų30.819%0.18617%0.166CC..Iπ-helixtrans-76.9-60.9-178.100000113.7S672 V673S672-G677 PolarHBondContact O-N 3.26Å; V673-G677 CarbonylContact O-C 3.52Å; V673-G677 WeakPolarHBondContact O-CA 3.46Å; V673-G677 PolarHBondContact O-N 2.68Å
678A95.7Very high95.3Very high6 Ų633.9 Ų33.95%0.0518%0.18CC..THydrogen-bonded Turntrans-90.8-5.4-170.100000114.4N636 L639 L640 V673 A674N636-A678 HydrophobicContact CB-CB 4.07Å; N636-A678 PolarHBondContact ND2-O 3.33Å; L639-A678 HydrophobicContact CB-CB 4.34Å; L639-A678 HydrophobicContact CD1-CB 4.5Å; L640-A678 HydrophobicContact CD1-CB 4.37Å; L640-A678 HydrophobicContact CD2-CB 3.69Å; L640-A678 HydrophobicContact CG-CB 3.78Å; V673-A678 PolarHBondContact O-N 3.26Å; A674-A678 CarbonylContact O-C 3.52Å
679E95.3Very high95.4Very high81 Ų8139.6 Ų39.638%0.37920%0.2SC..  trans63.640.7174.5-38.1-162.2164.500113.1A674 G675 N681 H716 R749A674-E679 PolarHBondContact O-N 3.27Å; A674-E679 VanDerWaalsContact O-N 3.15Å; G675-E679 WeakPolarHBondContact O-CA 3.49Å; G675-E679 PolarHBondContact O-N 3.14Å; E679-N681 PolarHBondContact O-N 2.87Å; E679-H716 IonicContact OE1-CE1 3.12Å; E679-R749 IonicContact OE1-NH2 2.77Å; E679-R749 PolarHBondContact OE1-NH2 2.6Å; E679-R749 IonicContact OE2-NH2 3.22Å; E679-R749 PolarHBondContact OE2-NH2 2.98Å
680D96.3Very high95.3Very high17 Ų1739.3 Ų39.39%0.09120%0.198CC..  trans-66.7116.8174.7-177.4-91.4000111.8L640 Y644 A674 N682 I683 V684L640-D680 HydrophobicContact CD1-CB 4.43Å; L640-D680 HydrophobicContact CD2-CB 3.87Å; Y644-D680 WeakPolarHBondContact CE2-OD2 3.16Å; Y644-D680 PolarHBondContact OH-OD1 3.2Å; Y644-D680 PolarHBondContact OH-OD2 3.34Å; A674-D680 WeakPolarHBondContact O-CB 3.47Å; A674-D680 PolarHBondContact O-N 2.78Å; D680-N682 VanDerWaalsContact C-N 3.32Å; D680-N682 PolarHBondContact O-N 3.18Å; D680-N682 WeakPolarHBondContact OD1-CA 3.27Å; D680-N682 WeakPolarHBondContact OD1-CB 3.2Å; D680-N682 PolarHBondContact OD1-N 3.17Å; D680-I683 HydrophobicContact CB-CB 4.32Å; D680-I683 HydrophobicContact CB-CD1 4.29Å; D680-I683 HydrophobicContact CB-CG1 4.5Å; D680-I683 PolarHBondContact O-N 3.44Å; D680-I683 PolarHBondContact OD1-N 3.39Å; D680-V684 WeakPolarHBondContact O-CB 3.2Å; D680-V684 WeakPolarHBondContact O-CG2 3.34Å; D680-V684 PolarHBondContact O-N 3.32Å
681N95.1Very high95.2Very high124 Ų12439.5 Ų39.566%0.66320%0.199SC*.Hα-helixtrans-61-35.7-175.8-73.3-26000113.6E679 V684 E685E679-N681 PolarHBondContact O-N 2.87Å; N681-V684 PolarHBondContact O-N 3.43Å; N681-E685 WeakPolarHBondContact O-CB 3.38Å; N681-E685 VanDerWaalsContact O-CG 3.32Å; N681-E685 WeakPolarHBondContact O-CG 3.32Å; N681-E685 PolarHBondContact O-N 3.34Å
682N93.4Very high95.3Very high118 Ų11842.9 Ų42.963%0.63122%0.215SC*.Hα-helixtrans-68.5-43.4-178.2-64-41.6000110.7D680 E686D680-N682 VanDerWaalsContact C-N 3.32Å; D680-N682 PolarHBondContact O-N 3.18Å; D680-N682 WeakPolarHBondContact OD1-CA 3.27Å; D680-N682 WeakPolarHBondContact OD1-CB 3.2Å; D680-N682 PolarHBondContact OD1-N 3.17Å; N682-E686 WeakPolarHBondContact O-CB 3.38Å; N682-E686 PolarHBondContact O-N 3.25Å
683I95Very high95.3Very high8 Ų841.8 Ų41.84%0.04121%0.207CC..Hα-helixtrans-69.7-39.4177.7-66.5171.8000110.7I647 I653 L671 A674 D680 A687 I712I647-I683 HydrophobicContact CD1-CD1 4.17Å; I653-I683 HydrophobicContact CD1-CD1 4.39Å; I653-I683 HydrophobicContact CD1-CG1 3.88Å; L671-I683 HydrophobicContact CD2-CD1 3.96Å; L671-I683 HydrophobicContact CD2-CG1 4.4Å; A674-I683 HydrophobicContact CB-CD1 3.38Å; D680-I683 HydrophobicContact CB-CB 4.32Å; D680-I683 HydrophobicContact CB-CD1 4.29Å; D680-I683 HydrophobicContact CB-CG1 4.5Å; D680-I683 PolarHBondContact O-N 3.44Å; D680-I683 PolarHBondContact OD1-N 3.39Å; I683-A687 WeakPolarHBondContact O-CB 3.41Å; I683-A687 PolarHBondContact O-N 3.47Å; I683-I712 HydrophobicContact CG2-CD1 4.15Å
684V96.3Very high95.2Very high7 Ų742.1 Ų42.14%0.04221%0.207CC..Hα-helixtrans-62.3-47.8177.1169.40000111.3D680 N681 A687 K688 I712 H716D680-V684 WeakPolarHBondContact O-CB 3.2Å; D680-V684 WeakPolarHBondContact O-CG2 3.34Å; D680-V684 PolarHBondContact O-N 3.32Å; N681-V684 PolarHBondContact O-N 3.43Å; V684-A687 PolarHBondContact O-N 2.88Å; V684-K688 HydrophobicContact CG1-CD 4.38Å; V684-K688 WeakPolarHBondContact O-CG 3.5Å; V684-K688 PolarHBondContact O-N 3.34Å; V684-I712 HydrophobicContact CB-CG2 4.47Å; V684-I712 HydrophobicContact CG2-CG2 4.11Å; V684-H716 HydrophobicContact CG1-CB 3.83Å
685E95.9Very high95.1Very high104 Ų10446.7 Ų46.749%0.48622%0.224SC..Hα-helixtrans-68.9-37.7-179.6-67.9-55121.700112.1N681 K688 R689N681-E685 WeakPolarHBondContact O-CB 3.38Å; N681-E685 VanDerWaalsContact O-CG 3.32Å; N681-E685 WeakPolarHBondContact O-CG 3.32Å; N681-E685 PolarHBondContact O-N 3.34Å; E685-K688 PolarHBondContact O-N 3.28Å; E685-K688 IonicContact OE1-NZ 2.66Å; E685-K688 PolarHBondContact OE1-NZ 3.47Å; E685-R689 PolarHBondContact O-N 3.1Å
686E93.8Very high95.1Very high53 Ų5350.1 Ų50.125%0.24825%0.248CC..Hα-helixtrans-66.4-39173.5-178.159.5-171.700111.9I653 N682 K688 R689 L690I653-E686 HydrophobicContact CG2-CG 3.96Å; N682-E686 WeakPolarHBondContact O-CB 3.38Å; N682-E686 PolarHBondContact O-N 3.25Å; E686-K688 PolarHBondContact O-N 2.88Å; E686-R689 WeakPolarHBondContact O-CB 3.1Å; E686-R689 PolarHBondContact O-N 3.08Å; E686-R689 IonicContact OE1-CZ 3.22Å; E686-R689 IonicContact OE1-NE 3.76Å; E686-R689 PolarHBondContact OE1-NE 2.85Å; E686-R689 IonicContact OE1-NH2 3.53Å; E686-R689 PolarHBondContact OE1-NH2 2.99Å; E686-R689 IonicContact OE2-CZ 2.69Å; E686-R689 IonicContact OE2-NE 3.71Å; E686-R689 PolarHBondContact OE2-NE 3.01Å; E686-R689 IonicContact OE2-NH2 2.78Å; E686-L690 HydrophobicContact CG-CD1 4.19Å; E686-L690 HydrophobicContact CG-CG 4.45Å; E686-L690 WeakPolarHBondContact O-CG 3.49Å; E686-L690 PolarHBondContact O-N 3.49Å
687A94.7Very high95Very high2 Ų253.3 Ų53.32%0.01728%0.281CS..Hα-helixtrans-63.2-41.5175.300000112.1I683 V684 R689 L690 F691 I709 I712I683-A687 WeakPolarHBondContact O-CB 3.41Å; I683-A687 PolarHBondContact O-N 3.47Å; V684-A687 PolarHBondContact O-N 2.88Å; A687-R689 VanDerWaalsContact C-N 3.35Å; A687-L690 PolarHBondContact O-N 3.38Å; A687-F691 VanDerWaalsContact O-CB 3.27Å; A687-F691 WeakPolarHBondContact O-CB 3.33Å; A687-F691 PolarHBondContact O-N 2.76Å; A687-I709 HydrophobicContact CB-CD1 3.66Å; A687-I712 HydrophobicContact CB-CB 4.02Å; A687-I712 HydrophobicContact CB-CD1 4.06Å; A687-I712 HydrophobicContact CB-CG2 3.56Å
688K96Very high95Very high68 Ų6860 Ų6030%0.29631%0.308SS..Hα-helixtrans-60.6-43.7172.7-72.4173.2-175.6169.50111.5V684 E685 E686 F691 E692 V713 H716V684-K688 HydrophobicContact CG1-CD 4.38Å; V684-K688 WeakPolarHBondContact O-CG 3.5Å; V684-K688 PolarHBondContact O-N 3.34Å; E685-K688 PolarHBondContact O-N 3.28Å; E685-K688 IonicContact OE1-NZ 2.66Å; E685-K688 PolarHBondContact OE1-NZ 3.47Å; E686-K688 PolarHBondContact O-N 2.88Å; K688-F691 PolarHBondContact O-N 3.48Å; K688-E692 WeakPolarHBondContact O-CB 3.34Å; K688-E692 PolarHBondContact O-N 3.17Å; K688-V713 HydrophobicContact CG-CG1 4.13Å; K688-H716 WeakPolarHBondContact CE-O 3.46Å
689R95Very high94.8Very high130 Ų13065.1 Ų65.149%0.49133%0.329SS..Hα-helixtrans-62.1-46.1177.8-167-165.169.671.91.4112E685 E686 A687 E692 A693E685-R689 PolarHBondContact O-N 3.1Å; E686-R689 WeakPolarHBondContact O-CB 3.1Å; E686-R689 PolarHBondContact O-N 3.08Å; E686-R689 IonicContact OE1-CZ 3.22Å; E686-R689 IonicContact OE1-NE 3.76Å; E686-R689 PolarHBondContact OE1-NE 2.85Å; E686-R689 IonicContact OE1-NH2 3.53Å; E686-R689 PolarHBondContact OE1-NH2 2.99Å; E686-R689 IonicContact OE2-CZ 2.69Å; E686-R689 IonicContact OE2-NE 3.71Å; E686-R689 PolarHBondContact OE2-NE 3.01Å; E686-R689 IonicContact OE2-NH2 2.78Å; A687-R689 VanDerWaalsContact C-N 3.35Å; R689-E692 PolarHBondContact O-N 3.38Å; R689-A693 PolarHBondContact O-N 3.37Å; R689-A693 VanDerWaalsContact O-N 3.12Å
690L93.7Very high94.5Very high17 Ų1768.2 Ų68.29%0.08934%0.343CS..Hα-helixtrans-65.5-42.7177.9-71.5173.4000111.8E686 A687 A693 H694 L701 I709E686-L690 HydrophobicContact CG-CD1 4.19Å; E686-L690 HydrophobicContact CG-CG 4.45Å; E686-L690 WeakPolarHBondContact O-CG 3.49Å; E686-L690 PolarHBondContact O-N 3.49Å; A687-L690 PolarHBondContact O-N 3.38Å; L690-A693 PolarHBondContact O-N 2.85Å; L690-H694 WeakPolarHBondContact O-CB 3.48Å; L690-H694 PolarHBondContact O-N 2.87Å; L690-L701 HydrophobicContact CB-CD2 3.9Å; L690-I709 HydrophobicContact CD1-CD1 4.03Å
691F95.9Very high94.3Very high5 Ų567.7 Ų67.72%0.02234%0.34CS..Hα-helixtrans-61.4-44175.9176.3-103.7000111.7A687 K688 H694 R695 I709 Y710 V713 V721 Y724 L725A687-F691 VanDerWaalsContact O-CB 3.27Å; A687-F691 WeakPolarHBondContact O-CB 3.33Å; A687-F691 PolarHBondContact O-N 2.76Å; K688-F691 PolarHBondContact O-N 3.48Å; F691-H694 WeakPolarHBondContact O-CB 3.39Å; F691-H694 PolarHBondContact O-N 3.45Å; F691-R695 HydrophobicContact CE1-CB 4.44Å; F691-R695 VanDerWaalsContact O-CB 3.28Å; F691-R695 WeakPolarHBondContact O-CB 3.46Å; F691-R695 PolarHBondContact O-N 3.26Å; F691-I709 HydrophobicContact CB-CG2 3.91Å; F691-Y710 AromaticContact CD2-CD1 3.83Å; F691-Y710 HydrophobicContact CD2-CD1 3.83Å; F691-Y710 AromaticContact CD2-CE1 3.93Å; F691-Y710 HydrophobicContact CD2-CE1 3.93Å; F691-Y710 AromaticContact CE2-CD1 3.88Å; F691-Y710 HydrophobicContact CE2-CD1 3.88Å; F691-Y710 AromaticContact CE2-CE1 3.89Å; F691-Y710 HydrophobicContact CE2-CE1 3.89Å; F691-V713 HydrophobicContact CB-CG1 3.76Å; F691-V713 HydrophobicContact CB-CG2 4.32Å; F691-V713 HydrophobicContact CD1-CB 4.43Å; F691-V713 HydrophobicContact CD1-CG1 4.34Å; F691-V713 HydrophobicContact CD1-CG2 4.11Å; F691-V713 HydrophobicContact CD2-CG2 3.79Å; F691-V713 HydrophobicContact CE1-CG2 4.38Å; F691-V713 HydrophobicContact CE2-CG2 4.09Å; F691-V713 HydrophobicContact CG-CB 4.36Å; F691-V713 HydrophobicContact CG-CG1 4.05Å; F691-V713 HydrophobicContact CG-CG2 3.79Å; F691-V713 HydrophobicContact CZ-CG2 4.37Å; F691-V721 HydrophobicContact CE1-CB 4.46Å; F691-V721 HydrophobicContact CE1-CG1 3.96Å; F691-V721 HydrophobicContact CE1-CG2 3.98Å; F691-V721 HydrophobicContact CZ-CG1 3.89Å; F691-Y724 HydrophobicContact CE2-CD1 4.29Å; F691-Y724 HydrophobicContact CE2-CE1 4.21Å; F691-Y724 AromaticContact CZ-CD1 3.74Å; F691-Y724 HydrophobicContact CZ-CD1 3.74Å; F691-Y724 AromaticContact CZ-CE1 3.99Å; F691-Y724 HydrophobicContact CZ-CE1 3.99Å; F691-L725 HydrophobicContact CE2-CD2 4.28Å
692E96.6Very high94Very high83 Ų8362.8 Ų62.839%0.38832%0.315SS..Hα-helixtrans-65-41.9-179.8-175.556.7-158.100112.1K688 R689 H694 R695 S696K688-E692 WeakPolarHBondContact O-CB 3.34Å; K688-E692 PolarHBondContact O-N 3.17Å; R689-E692 PolarHBondContact O-N 3.38Å; E692-H694 VanDerWaalsContact C-N 3.26Å; E692-H694 PolarHBondContact O-N 2.79Å; E692-R695 PolarHBondContact O-N 2.99Å; E692-R695 IonicContact OE1-CZ 3.31Å; E692-R695 IonicContact OE1-NE 2.79Å; E692-R695 IonicContact OE1-NH2 2.83Å; E692-R695 PolarHBondContact OE1-NH2 2.94Å; E692-R695 IonicContact OE2-CZ 2.83Å; E692-R695 IonicContact OE2-NE 3.98Å; E692-R695 PolarHBondContact OE2-NE 3.48Å; E692-R695 IonicContact OE2-NH2 3.69Å; E692-R695 PolarHBondContact OE2-NH2 2.92Å; E692-S696 WeakPolarHBondContact O-CB 3.46Å; E692-S696 PolarHBondContact O-N 2.91Å; E692-S696 PolarHBondContact O-OG 3.12Å
693A95Very high93.8Very high7 Ų759.2 Ų59.26%0.05830%0.296CS..Hα-helixtrans-62.1-34.517400000112.4R689 L690 S696 G697 E698 K699R689-A693 PolarHBondContact O-N 3.37Å; R689-A693 VanDerWaalsContact O-N 3.12Å; L690-A693 PolarHBondContact O-N 2.85Å; A693-S696 PolarHBondContact O-OG 3.21Å; A693-S696 VanDerWaalsContact O-OG 3.1Å; A693-G697 PolarHBondContact O-N 2.89Å; A693-E698 HydrophobicContact CB-CB 4.38Å; A693-E698 WeakPolarHBondContact O-CB 3.32Å; A693-E698 PolarHBondContact O-N 2.87Å; A693-K699 CarbonylContact C-O 3.4Å; A693-K699 HydrophobicContact CB-CB 4.27Å; A693-K699 PolarHBondContact O-N 2.9Å
694H94.2Very high93.6Very high37 Ų3759.5 Ų59.517%0.17130%0.298CS..Hα-helixtrans-73-44.4174.4175.664.3000112.7L690 F691 E692 S696 G697 K699 L701 Y710L690-H694 WeakPolarHBondContact O-CB 3.48Å; L690-H694 PolarHBondContact O-N 2.87Å; F691-H694 WeakPolarHBondContact O-CB 3.39Å; F691-H694 PolarHBondContact O-N 3.45Å; E692-H694 VanDerWaalsContact C-N 3.26Å; E692-H694 PolarHBondContact O-N 2.79Å; H694-S696 VanDerWaalsContact C-N 3.26Å; H694-S696 PolarHBondContact O-N 3.2Å; H694-G697 PolarHBondContact O-N 3.16Å; H694-G697 VanDerWaalsContact O-N 3.07Å; H694-K699 WeakPolarHBondContact CA-O 3.43Å; H694-K699 WeakPolarHBondContact CB-O 3.27Å; H694-K699 PolarHBondContact N-O 3.47Å; H694-L701 HydrophobicContact CB-CD1 4.34Å; H694-L701 HydrophobicContact CB-CD2 4.08Å; H694-L701 HydrophobicContact CB-CG 3.66Å; H694-L701 PolarHBondContact ND1-N 3.23Å; H694-Y710 AromaticContact NE2-CZ 4Å; H694-Y710 PolarHBondContact NE2-OH 3.39Å
695R94.9Very high93.4Very high95 Ų9559.4 Ų59.436%0.35830%0.297SS..Hα-helixtrans-61.2-35.7178.9-171.5177.87589.72112.1F691 E692 G697 Y724F691-R695 HydrophobicContact CE1-CB 4.44Å; F691-R695 VanDerWaalsContact O-CB 3.28Å; F691-R695 WeakPolarHBondContact O-CB 3.46Å; F691-R695 PolarHBondContact O-N 3.26Å; E692-R695 PolarHBondContact O-N 2.99Å; E692-R695 IonicContact OE1-CZ 3.31Å; E692-R695 IonicContact OE1-NE 2.79Å; E692-R695 IonicContact OE1-NH2 2.83Å; E692-R695 PolarHBondContact OE1-NH2 2.94Å; E692-R695 IonicContact OE2-CZ 2.83Å; E692-R695 IonicContact OE2-NE 3.98Å; E692-R695 PolarHBondContact OE2-NE 3.48Å; E692-R695 IonicContact OE2-NH2 3.69Å; E692-R695 PolarHBondContact OE2-NH2 2.92Å; R695-G697 VanDerWaalsContact C-N 3.32Å; R695-Y724 HydrophobicContact CG-CD1 4.5Å; R695-Y724 HydrophobicContact CG-CD2 4.14Å; R695-Y724 HydrophobicContact CG-CE1 4.11Å; R695-Y724 HydrophobicContact CG-CE2 3.73Å
696S95.3Very high93.2Very high73 Ų7355.5 Ų55.551%0.5128%0.278SS..THydrogen-bonded Turntrans-80.2-10.8177.370.20000114.1E692 A693 H694 E698E692-S696 WeakPolarHBondContact O-CB 3.46Å; E692-S696 PolarHBondContact O-N 2.91Å; E692-S696 PolarHBondContact O-OG 3.12Å; A693-S696 PolarHBondContact O-OG 3.21Å; A693-S696 VanDerWaalsContact O-OG 3.1Å; H694-S696 VanDerWaalsContact C-N 3.26Å; H694-S696 PolarHBondContact O-N 3.2Å; S696-E698 VanDerWaalsContact C-N 3.29Å; S696-E698 WeakPolarHBondContact OG-CB 3.42Å; S696-E698 PolarHBondContact OG-N 2.9Å
697G93.8Very high93.2Very high67 Ų6754 Ų5469%0.69127%0.272SS*.THydrogen-bonded Turntrans77.87.9-172.900000114.4A693 H694 R695A693-G697 PolarHBondContact O-N 2.89Å; H694-G697 PolarHBondContact O-N 3.16Å; H694-G697 VanDerWaalsContact O-N 3.07Å; R695-G697 VanDerWaalsContact C-N 3.32Å
698E94.1Very high93.2Very high158 Ų15855.6 Ų55.674%0.73828%0.279SS*.SBendtrans-65.9-44.7175.9-177.9-172.3163.400111.7A693 S696A693-E698 HydrophobicContact CB-CB 4.38Å; A693-E698 WeakPolarHBondContact O-CB 3.32Å; A693-E698 PolarHBondContact O-N 2.87Å; S696-E698 VanDerWaalsContact C-N 3.29Å; S696-E698 WeakPolarHBondContact OG-CB 3.42Å; S696-E698 PolarHBondContact OG-N 2.9Å
699K91.1Very high93.2Very high114 Ų11452.8 Ų52.850%0.49627%0.267SS..SBendtrans-151.7127-177.9-172.5175.5-178.3177.70111.8A693 H694A693-K699 CarbonylContact C-O 3.4Å; A693-K699 HydrophobicContact CB-CB 4.27Å; A693-K699 PolarHBondContact O-N 2.9Å; H694-K699 WeakPolarHBondContact CA-O 3.43Å; H694-K699 WeakPolarHBondContact CB-O 3.27Å; H694-K699 PolarHBondContact N-O 3.47Å
700E88.9Confident93.3Very high145 Ų14546.7 Ų46.768%0.67824%0.244SC*.PPolyproline II helixtrans-66.6146.6174.8-65.8-174165.700112.9
701L90.9Very high93.5Very high6 Ų646.4 Ų46.43%0.03124%0.243CC..PPolyproline II helixtrans-67.9140.9172.2-70.1176.4000110.4L690 H694 N703 R706 I709 Y710L690-L701 HydrophobicContact CB-CD2 3.9Å; H694-L701 HydrophobicContact CB-CD1 4.34Å; H694-L701 HydrophobicContact CB-CD2 4.08Å; H694-L701 HydrophobicContact CB-CG 3.66Å; H694-L701 PolarHBondContact ND1-N 3.23Å; L701-N703 PolarHBondContact O-N 2.87Å; L701-R706 HydrophobicContact CD1-CG 4.31Å; L701-I709 HydrophobicContact CD1-CB 4.12Å; L701-I709 HydrophobicContact CD1-CG2 3.95Å; L701-I709 HydrophobicContact CD2-CB 4.35Å; L701-I709 HydrophobicContact CD2-CG1 4.33Å; L701-I709 HydrophobicContact CD2-CG2 3.91Å; L701-Y710 HydrophobicContact CD1-CD1 3.99Å; L701-Y710 HydrophobicContact CD1-CE1 3.46Å; L701-Y710 VanDerWaalsContact CD1-CE1 3.46Å
702P89.5Confident93.6Very high21 Ų2146.2 Ų46.214%0.13624%0.243CC..PPolyproline II helixtrans-54.4136.4167.6-24.435.4000110.9C656 D704 L705 R706C656-P702 HydrophobicContact CB-CG 3.91Å; P702-D704 WeakPolarHBondContact CB-OD1 3.18Å; P702-D704 PolarHBondContact O-N 3.3Å; P702-L705 HydrophobicContact CB-CB 4.25Å; P702-L705 HydrophobicContact CB-CD1 4.27Å; P702-L705 HydrophobicContact CB-CG 4.31Å; P702-L705 HydrophobicContact CG-CD1 4.15Å; P702-L705 PolarHBondContact O-N 3.36Å; P702-R706 PolarHBondContact O-N 3.17Å
703N89.2Confident93.6Very high43 Ų4342.3 Ų42.323%0.2322%0.224CC..THydrogen-bonded Turntrans-58.6-36.7-170.6-60.3-24.4000113.2H285 T286 S288 L701 L705 R706H285-N703 PolarHBondContact O-ND2 2.88Å; T286-N703 VanDerWaalsContact C-CG 3.46Å; T286-N703 VanDerWaalsContact C-ND2 3.35Å; T286-N703 VanDerWaalsContact CA-ND2 3.29Å; T286-N703 WeakPolarHBondContact CA-ND2 3.45Å; T286-N703 WeakPolarHBondContact O-CB 3.48Å; T286-N703 PolarHBondContact O-ND2 3.32Å; T286-N703 PolarHBondContact O-OD1 2.77Å; S288-N703 VanDerWaalsContact CB-O 3.27Å; S288-N703 WeakPolarHBondContact CB-O 3.34Å; L701-N703 PolarHBondContact O-N 2.87Å; N703-L705 VanDerWaalsContact C-N 3.35Å; N703-R706 PolarHBondContact OD1-NH2 3.1Å; N703-R706 VanDerWaalsContact OD1-NH2 3.09Å
704D90.9Very high93.7Very high14 Ų1442.2 Ų42.28%0.07522%0.223CC..THydrogen-bonded Turntrans-75.2-23178.967-43.6000113.1P289 R667 S668 P702P289-D704 HydrophobicContact CG-CB 3.75Å; R667-D704 IonicContact CZ-OD1 3.35Å; R667-D704 IonicContact CZ-OD2 3.72Å; R667-D704 IonicContact NE-OD1 2.87Å; R667-D704 IonicContact NE-OD2 3.43Å; R667-D704 PolarHBondContact NE-OD2 3.46Å; R667-D704 IonicContact NH2-OD1 2.9Å; R667-D704 PolarHBondContact NH2-OD1 3.19Å; R667-D704 IonicContact NH2-OD2 2.83Å; R667-D704 PolarHBondContact NH2-OD2 2.75Å; S668-D704 WeakPolarHBondContact CB-O 3.45Å; S668-D704 PolarHBondContact OG-O 2.86Å; P702-D704 WeakPolarHBondContact CB-OD1 3.18Å; P702-D704 PolarHBondContact O-N 3.3Å
705L92.3Very high93.8Very high5 Ų542 Ų423%0.02622%0.221CC..THydrogen-bonded Turntrans-95.7-8.2-177.8-69.7-176.1000114.1R667 L671 P702 N703 T707 E708 I709R667-L705 HydrophobicContact CG-CD2 3.81Å; L671-L705 HydrophobicContact CD1-CD2 3.9Å; P702-L705 HydrophobicContact CB-CB 4.25Å; P702-L705 HydrophobicContact CB-CD1 4.27Å; P702-L705 HydrophobicContact CB-CG 4.31Å; P702-L705 HydrophobicContact CG-CD1 4.15Å; P702-L705 PolarHBondContact O-N 3.36Å; N703-L705 VanDerWaalsContact C-N 3.35Å; L705-T707 PolarHBondContact O-N 3.16Å; L705-E708 PolarHBondContact O-N 3.45Å; L705-I709 HydrophobicContact CB-CG1 4.01Å; L705-I709 WeakPolarHBondContact O-CB 3.47Å; L705-I709 WeakPolarHBondContact O-CG1 3.45Å; L705-I709 PolarHBondContact O-N 3.43Å
706R92.2Very high93.8Very high23 Ų2338.8 Ų38.89%0.08721%0.21CC..Hα-helixtrans-54.6-52.4-170.5-167-176.8-55.7132.14.9112T286 L701 P702 N703 E708 Y710 E736T286-R706 PolarHBondContact O-NH2 3.12Å; L701-R706 HydrophobicContact CD1-CG 4.31Å; P702-R706 PolarHBondContact O-N 3.17Å; N703-R706 PolarHBondContact OD1-NH2 3.1Å; N703-R706 VanDerWaalsContact OD1-NH2 3.09Å; R706-E708 VanDerWaalsContact C-N 3.34Å; R706-E708 PolarHBondContact O-N 3.08Å; R706-Y710 HydrophobicContact CG-CD2 4.26Å; R706-Y710 HydrophobicContact CG-CE1 4.42Å; R706-Y710 HydrophobicContact CG-CE2 3.62Å; R706-Y710 WeakPolarHBondContact O-CB 3.19Å; R706-Y710 WeakPolarHBondContact O-CD2 3.37Å; R706-Y710 PolarHBondContact O-N 2.91Å; R706-Y710 VanDerWaalsContact O-N 3.08Å; R706-E736 IonicContact NH1-OE2 2.72Å; R706-E736 PolarHBondContact NH1-OE2 2.86Å
707T93.6Very high93.6Very high20 Ų2036.9 Ų36.912%0.12320%0.201CC..Hα-helixtrans-62.7-42.3-178.7-560000111.6L705 T711 H740L705-T707 PolarHBondContact O-N 3.16Å; T707-T711 VanDerWaalsContact O-CB 3.28Å; T707-T711 WeakPolarHBondContact O-CB 3.32Å; T707-T711 PolarHBondContact O-N 3.29Å; T707-T711 PolarHBondContact O-OG1 2.77Å; T707-H740 WeakPolarHBondContact OG1-CB 3.34Å; T707-H740 PolarHBondContact OG1-CD2 3.08Å; T707-H740 PolarHBondContact OG1-ND1 2.98Å
708E94.9Very high93.5Very high37 Ų3737 Ų3717%0.17319%0.192CC..Hα-helixtrans-73.2-41.6-174.5-69.569.8-156.400111.6S668 L705 R706 T711 I712S668-E708 WeakPolarHBondContact O-CG 3.47Å; L705-E708 PolarHBondContact O-N 3.45Å; R706-E708 VanDerWaalsContact C-N 3.34Å; R706-E708 PolarHBondContact O-N 3.08Å; E708-T711 WeakPolarHBondContact O-CB 3.43Å; E708-T711 PolarHBondContact O-N 3.02Å; E708-I712 WeakPolarHBondContact O-CD1 3.4Å; E708-I712 WeakPolarHBondContact O-CG1 3.35Å; E708-I712 PolarHBondContact O-N 3.24Å
709I95.8Very high93.3Very high9 Ų933.5 Ų33.55%0.04618%0.181CC..Hα-helixtrans-62.7-48174.7-64.4-69.6000109.5A687 L690 F691 L701 L705 T711 I712 V713A687-I709 HydrophobicContact CB-CD1 3.66Å; L690-I709 HydrophobicContact CD1-CD1 4.03Å; F691-I709 HydrophobicContact CB-CG2 3.91Å; L701-I709 HydrophobicContact CD1-CB 4.12Å; L701-I709 HydrophobicContact CD1-CG2 3.95Å; L701-I709 HydrophobicContact CD2-CB 4.35Å; L701-I709 HydrophobicContact CD2-CG1 4.33Å; L701-I709 HydrophobicContact CD2-CG2 3.91Å; L705-I709 HydrophobicContact CB-CG1 4.01Å; L705-I709 WeakPolarHBondContact O-CB 3.47Å; L705-I709 WeakPolarHBondContact O-CG1 3.45Å; L705-I709 PolarHBondContact O-N 3.43Å; I709-T711 VanDerWaalsContact C-N 3.29Å; I709-T711 PolarHBondContact O-N 3.44Å; I709-I712 PolarHBondContact O-N 3.12Å; I709-V713 WeakPolarHBondContact O-CG2 3.35Å; I709-V713 PolarHBondContact O-N 2.79Å
710Y97.2Very high93.5Very high2 Ų231.8 Ų31.81%0.00818%0.178CC..Hα-helixtrans-56.2-45173.7-66.9-12.4000111.6F691 H694 L701 R706 I712 V713 V714 L725 I741 A744F691-Y710 AromaticContact CD2-CD1 3.83Å; F691-Y710 HydrophobicContact CD2-CD1 3.83Å; F691-Y710 AromaticContact CD2-CE1 3.93Å; F691-Y710 HydrophobicContact CD2-CE1 3.93Å; F691-Y710 AromaticContact CE2-CD1 3.88Å; F691-Y710 HydrophobicContact CE2-CD1 3.88Å; F691-Y710 AromaticContact CE2-CE1 3.89Å; F691-Y710 HydrophobicContact CE2-CE1 3.89Å; H694-Y710 AromaticContact NE2-CZ 4Å; H694-Y710 PolarHBondContact NE2-OH 3.39Å; L701-Y710 HydrophobicContact CD1-CD1 3.99Å; L701-Y710 HydrophobicContact CD1-CE1 3.46Å; L701-Y710 VanDerWaalsContact CD1-CE1 3.46Å; R706-Y710 HydrophobicContact CG-CD2 4.26Å; R706-Y710 HydrophobicContact CG-CE1 4.42Å; R706-Y710 HydrophobicContact CG-CE2 3.62Å; R706-Y710 WeakPolarHBondContact O-CB 3.19Å; R706-Y710 WeakPolarHBondContact O-CD2 3.37Å; R706-Y710 PolarHBondContact O-N 2.91Å; R706-Y710 VanDerWaalsContact O-N 3.08Å; Y710-I712 PolarHBondContact O-N 2.89Å; Y710-V713 WeakPolarHBondContact O-CG2 3.31Å; Y710-V713 PolarHBondContact O-N 2.78Å; Y710-V714 WeakPolarHBondContact O-CB 3.49Å; Y710-V714 VanDerWaalsContact O-CG2 3.25Å; Y710-V714 WeakPolarHBondContact O-CG2 3.5Å; Y710-V714 PolarHBondContact O-N 3.21Å; Y710-L725 HydrophobicContact CD1-CD2 4.07Å; Y710-L725 HydrophobicContact CD2-CD2 4.09Å; Y710-L725 HydrophobicContact CE1-CD2 4.17Å; Y710-L725 HydrophobicContact CE2-CD2 4.18Å; Y710-L725 HydrophobicContact CG-CD1 4.41Å; Y710-L725 HydrophobicContact CG-CD2 4.04Å; Y710-I741 HydrophobicContact CD2-CG1 4.12Å; Y710-I741 HydrophobicContact CE2-CG1 3.9Å; Y710-A744 VanDerWaalsContact CB-CB 3.41Å
711T97.4Very high93.9Very high10 Ų1025.4 Ų25.46%0.06115%0.148CC..Hα-helixtrans-59.4-45.4178.4-63.90000111.8A676 T707 E708 I709 R715 A747 W795A676-T711 HydrophobicContact CB-CG2 3.92Å; T707-T711 VanDerWaalsContact O-CB 3.28Å; T707-T711 WeakPolarHBondContact O-CB 3.32Å; T707-T711 PolarHBondContact O-N 3.29Å; T707-T711 PolarHBondContact O-OG1 2.77Å; E708-T711 WeakPolarHBondContact O-CB 3.43Å; E708-T711 PolarHBondContact O-N 3.02Å; I709-T711 VanDerWaalsContact C-N 3.29Å; I709-T711 PolarHBondContact O-N 3.44Å; T711-R715 WeakPolarHBondContact O-CB 3.46Å; T711-R715 PolarHBondContact O-N 3.4Å; T711-R715 VanDerWaalsContact O-N 3.15Å; T711-A747 HydrophobicContact CG2-CB 3.85Å; T711-W795 HydrophobicContact CG2-CH2 3.48Å; T711-W795 VanDerWaalsContact CG2-CH2 3.48Å; T711-W795 HydrophobicContact CG2-CZ2 3.42Å; T711-W795 VanDerWaalsContact CG2-CZ2 3.42Å
712I97.3Very high94.2Very high2 Ų225.5 Ų25.51%0.0115%0.149CC..Hα-helixtrans-63.9-46.9179.2-68.3163.2000110.5A676 I683 V684 A687 E708 I709 Y710 R715 H716A676-I712 HydrophobicContact CB-CG1 3.92Å; I683-I712 HydrophobicContact CG2-CD1 4.15Å; V684-I712 HydrophobicContact CB-CG2 4.47Å; V684-I712 HydrophobicContact CG2-CG2 4.11Å; A687-I712 HydrophobicContact CB-CB 4.02Å; A687-I712 HydrophobicContact CB-CD1 4.06Å; A687-I712 HydrophobicContact CB-CG2 3.56Å; E708-I712 WeakPolarHBondContact O-CD1 3.4Å; E708-I712 WeakPolarHBondContact O-CG1 3.35Å; E708-I712 PolarHBondContact O-N 3.24Å; I709-I712 PolarHBondContact O-N 3.12Å; Y710-I712 PolarHBondContact O-N 2.89Å; I712-R715 PolarHBondContact O-N 3.08Å; I712-H716 PolarHBondContact O-N 2.92Å
713V97.4Very high94.5Very high1 Ų130.5 Ų30.51%0.00617%0.17CC..Hα-helixtrans-74-30.3-177.4-61.10000113.3K688 F691 I709 Y710 R715 G717 V721K688-V713 HydrophobicContact CG-CG1 4.13Å; F691-V713 HydrophobicContact CB-CG1 3.76Å; F691-V713 HydrophobicContact CB-CG2 4.32Å; F691-V713 HydrophobicContact CD1-CB 4.43Å; F691-V713 HydrophobicContact CD1-CG1 4.34Å; F691-V713 HydrophobicContact CD1-CG2 4.11Å; F691-V713 HydrophobicContact CD2-CG2 3.79Å; F691-V713 HydrophobicContact CE1-CG2 4.38Å; F691-V713 HydrophobicContact CE2-CG2 4.09Å; F691-V713 HydrophobicContact CG-CB 4.36Å; F691-V713 HydrophobicContact CG-CG1 4.05Å; F691-V713 HydrophobicContact CG-CG2 3.79Å; F691-V713 HydrophobicContact CZ-CG2 4.37Å; I709-V713 WeakPolarHBondContact O-CG2 3.35Å; I709-V713 PolarHBondContact O-N 2.79Å; Y710-V713 WeakPolarHBondContact O-CG2 3.31Å; Y710-V713 PolarHBondContact O-N 2.78Å; V713-R715 VanDerWaalsContact C-N 3.29Å; V713-R715 PolarHBondContact O-N 3.35Å; V713-G717 WeakPolarHBondContact O-CA 3.26Å; V713-G717 PolarHBondContact O-N 2.87Å; V713-V721 HydrophobicContact CB-CG1 3.98Å; V713-V721 HydrophobicContact CG2-CG1 3.51Å
714V97.6Very high94.9Very high5 Ų531.1 Ų31.13%0.0317%0.17CC..Hα-helixtrans-63.7-39.9170.6165.10000110.7Y710 V721 I722 L725 A744 A747 A748Y710-V714 WeakPolarHBondContact O-CB 3.49Å; Y710-V714 VanDerWaalsContact O-CG2 3.25Å; Y710-V714 WeakPolarHBondContact O-CG2 3.5Å; Y710-V714 PolarHBondContact O-N 3.21Å; V714-V721 HydrophobicContact CG2-CG1 4.42Å; V714-I722 HydrophobicContact CG1-CD1 4.43Å; V714-I722 HydrophobicContact CG1-CG1 4.12Å; V714-I722 HydrophobicContact CG2-CG1 4.48Å; V714-L725 HydrophobicContact CG2-CD1 3.35Å; V714-A744 WeakPolarHBondContact CG1-O 3.28Å; V714-A747 HydrophobicContact CB-CB 4.42Å; V714-A747 HydrophobicContact CG1-CB 4.06Å; V714-A748 HydrophobicContact CG1-CB 4.04Å; V714-A748 VanDerWaalsContact CG1-N 3.35Å
715R95.8Very high95.2Very high31 Ų3130.4 Ų30.412%0.11717%0.166CC..Hα-helixtrans-76.3-39.4-175.4-171.5168.9178.573.82.7113.5A676 T711 I712 V713 A747 R749 W795A676-R715 WeakPolarHBondContact O-CD 3.35Å; A676-R715 PolarHBondContact O-NE 2.82Å; T711-R715 WeakPolarHBondContact O-CB 3.46Å; T711-R715 PolarHBondContact O-N 3.4Å; T711-R715 VanDerWaalsContact O-N 3.15Å; I712-R715 PolarHBondContact O-N 3.08Å; V713-R715 VanDerWaalsContact C-N 3.29Å; V713-R715 PolarHBondContact O-N 3.35Å; R715-A747 HydrophobicContact CB-CB 4.09Å; R715-R749 HydrophobicContact CG-CG 4.36Å; R715-R749 WeakPolarHBondContact O-CD 3.38Å; R715-R749 PolarHBondContact O-NE 3.35Å; R715-W795 VanDerWaalsContact CZ-CE3 3.47Å; R715-W795 VanDerWaalsContact NH1-CE3 3.29Å
716H95.2Very high95.4Very high29 Ų2930.8 Ų30.813%0.13417%0.168CC..Hα-helixtrans-120.4-3.3-169-57.8-60.8000114.4G675 A676 E679 V684 K688 I712 R749G675-H716 PolarHBondContact O-CD2 3.45Å; G675-H716 PolarHBondContact O-NE2 2.68Å; A676-H716 PolarHBondContact O-NE2 3.35Å; E679-H716 IonicContact OE1-CE1 3.12Å; V684-H716 HydrophobicContact CG1-CB 3.83Å; K688-H716 WeakPolarHBondContact CE-O 3.46Å; I712-H716 PolarHBondContact O-N 2.92Å; H716-R749 PolarHBondContact CE1-NH2 2.9Å; H716-R749 VanDerWaalsContact CE1-NH2 3.3Å; H716-R749 PolarHBondContact ND1-NH2 2.95Å; H716-R749 VanDerWaalsContact ND1-NH2 3.18Å
717G91.3Very high95.6Very high32 Ų3233.5 Ų33.533%0.3318%0.184SC..SBendtrans-89.5-172.2173.700000112.7V713V713-G717 WeakPolarHBondContact O-CA 3.26Å; V713-G717 PolarHBondContact O-N 2.87Å
718S90.9Very high95.7Very high71 Ų7135.8 Ų35.850%0.49719%0.191SC..  trans-83.6163.8176.7340000112.1D720 V721S718-D720 WeakPolarHBondContact CB-OD1 3.37Å; S718-D720 PolarHBondContact O-N 2.68Å; S718-D720 PolarHBondContact OG-OD1 2.99Å; S718-V721 WeakPolarHBondContact O-CB 3.31Å; S718-V721 PolarHBondContact O-N 3.42Å; S718-V721 VanDerWaalsContact O-N 3.14Å
719T90.1Very high95.8Very high84 Ų8434.3 Ų34.352%0.51518%0.183SC..Hα-helixtrans-62.8-19.9179.917.70000114.1V721 I722 Q723 P765T719-V721 VanDerWaalsContact C-N 3.28Å; T719-V721 PolarHBondContact O-N 3.18Å; T719-I722 PolarHBondContact O-N 3.28Å; T719-Q723 PolarHBondContact O-N 3.27Å; T719-P765 HydrophobicContact CG2-CB 4.12Å; T719-P765 HydrophobicContact CG2-CG 3.88Å
720D95.4Very high95.6Very high78 Ų7836.2 Ų36.242%0.41720%0.197SC..Hα-helixtrans-65-32174.273.6-62.7000112.4S718 I722 Q723 Y724S718-D720 WeakPolarHBondContact CB-OD1 3.37Å; S718-D720 PolarHBondContact O-N 2.68Å; S718-D720 PolarHBondContact OG-OD1 2.99Å; D720-I722 VanDerWaalsContact C-N 3.29Å; D720-I722 PolarHBondContact O-N 3.23Å; D720-Q723 PolarHBondContact O-N 3.2Å; D720-Y724 WeakPolarHBondContact O-CB 3.27Å; D720-Y724 PolarHBondContact O-N 3.45Å
721V96.7Very high95.3Very high10 Ų1042 Ų426%0.06122%0.224CC..Hα-helixtrans-60.6-42.9175.41760000110.4F691 V713 V714 S718 T719 Y724 L725F691-V721 HydrophobicContact CE1-CB 4.46Å; F691-V721 HydrophobicContact CE1-CG1 3.96Å; F691-V721 HydrophobicContact CE1-CG2 3.98Å; F691-V721 HydrophobicContact CZ-CG1 3.89Å; V713-V721 HydrophobicContact CB-CG1 3.98Å; V713-V721 HydrophobicContact CG2-CG1 3.51Å; V714-V721 HydrophobicContact CG2-CG1 4.42Å; S718-V721 WeakPolarHBondContact O-CB 3.31Å; S718-V721 PolarHBondContact O-N 3.42Å; S718-V721 VanDerWaalsContact O-N 3.14Å; T719-V721 VanDerWaalsContact C-N 3.28Å; T719-V721 PolarHBondContact O-N 3.18Å; V721-Y724 PolarHBondContact O-N 3.33Å; V721-L725 HydrophobicContact CG1-CD1 4.14Å; V721-L725 WeakPolarHBondContact O-CB 3.49Å; V721-L725 WeakPolarHBondContact O-CG 3.01Å; V721-L725 PolarHBondContact O-N 3.33Å
722I96.9Very high94.9Very high9 Ų941.9 Ų41.95%0.04622%0.224CC..Hα-helixtrans-63.9-46.7178.5-66.4171000109.8V714 T719 D720 Y724 L725 M726 L745 A748 P765 V769V714-I722 HydrophobicContact CG1-CD1 4.43Å; V714-I722 HydrophobicContact CG1-CG1 4.12Å; V714-I722 HydrophobicContact CG2-CG1 4.48Å; T719-I722 PolarHBondContact O-N 3.28Å; D720-I722 VanDerWaalsContact C-N 3.29Å; D720-I722 PolarHBondContact O-N 3.23Å; I722-Y724 PolarHBondContact O-N 2.91Å; I722-L725 PolarHBondContact O-N 3.29Å; I722-M726 HydrophobicContact CG2-CE 3.75Å; I722-M726 HydrophobicContact CG2-SD 4.29Å; I722-M726 WeakPolarHBondContact O-CG 3.46Å; I722-M726 PolarHBondContact O-N 3.45Å; I722-L745 HydrophobicContact CG2-CD2 4.02Å; I722-A748 HydrophobicContact CD1-CB 3.97Å; I722-P765 HydrophobicContact CD1-CB 3.6Å; I722-V769 HydrophobicContact CG2-CG2 3.82Å
723Q96.6Very high94.2Very high125 Ų12545.6 Ų45.658%0.58424%0.244SC*.Hα-helixtrans-63.7-40.9179-17258.667.600112.3T719 D720 M726 D727T719-Q723 PolarHBondContact O-N 3.27Å; D720-Q723 PolarHBondContact O-N 3.2Å; Q723-M726 PolarHBondContact O-N 3.14Å; Q723-D727 WeakPolarHBondContact O-CB 3.12Å; Q723-D727 PolarHBondContact O-N 3.4Å
724Y97.2Very high93.7Very high56 Ų5647 Ų4722%0.2225%0.253CS..Hα-helixtrans-60-46.6174.7171.7-94.9000111.4F691 R695 D720 V721 I722 D727 R728F691-Y724 HydrophobicContact CE2-CD1 4.29Å; F691-Y724 HydrophobicContact CE2-CE1 4.21Å; F691-Y724 AromaticContact CZ-CD1 3.74Å; F691-Y724 HydrophobicContact CZ-CD1 3.74Å; F691-Y724 AromaticContact CZ-CE1 3.99Å; F691-Y724 HydrophobicContact CZ-CE1 3.99Å; R695-Y724 HydrophobicContact CG-CD1 4.5Å; R695-Y724 HydrophobicContact CG-CD2 4.14Å; R695-Y724 HydrophobicContact CG-CE1 4.11Å; R695-Y724 HydrophobicContact CG-CE2 3.73Å; D720-Y724 WeakPolarHBondContact O-CB 3.27Å; D720-Y724 PolarHBondContact O-N 3.45Å; V721-Y724 PolarHBondContact O-N 3.33Å; I722-Y724 PolarHBondContact O-N 2.91Å; Y724-D727 WeakPolarHBondContact O-CB 3.31Å; Y724-D727 PolarHBondContact O-N 2.92Å; Y724-R728 HydrophobicContact CD1-CG 4.08Å; Y724-R728 HydrophobicContact CD2-CG 4.4Å; Y724-R728 HydrophobicContact CE1-CG 3.59Å; Y724-R728 HydrophobicContact CE2-CG 3.95Å; Y724-R728 HydrophobicContact CG-CG 4.47Å; Y724-R728 WeakPolarHBondContact O-CB 3.38Å; Y724-R728 WeakPolarHBondContact O-CG 3.36Å; Y724-R728 PolarHBondContact O-N 3.48Å
725L97.7Very high93.2Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-68-38.5-179.4-72.2176.1000112.1F691 Y710 V714 V721 I722 D727 R728 Y729 I741 L745F691-L725 HydrophobicContact CE2-CD2 4.28Å; Y710-L725 HydrophobicContact CD1-CD2 4.07Å; Y710-L725 HydrophobicContact CD2-CD2 4.09Å; Y710-L725 HydrophobicContact CE1-CD2 4.17Å; Y710-L725 HydrophobicContact CE2-CD2 4.18Å; Y710-L725 HydrophobicContact CG-CD1 4.41Å; Y710-L725 HydrophobicContact CG-CD2 4.04Å; V714-L725 HydrophobicContact CG2-CD1 3.35Å; V721-L725 HydrophobicContact CG1-CD1 4.14Å; V721-L725 WeakPolarHBondContact O-CB 3.49Å; V721-L725 WeakPolarHBondContact O-CG 3.01Å; V721-L725 PolarHBondContact O-N 3.33Å; I722-L725 PolarHBondContact O-N 3.29Å; L725-D727 VanDerWaalsContact C-N 3.32Å; L725-D727 PolarHBondContact O-N 2.88Å; L725-R728 PolarHBondContact O-N 2.85Å; L725-Y729 WeakPolarHBondContact O-CB 3.38Å; L725-Y729 PolarHBondContact O-N 3.43Å; L725-I741 HydrophobicContact CB-CG2 3.98Å; L725-I741 HydrophobicContact CD2-CG1 4.24Å; L725-I741 WeakPolarHBondContact O-CG2 3.4Å; L725-L745 HydrophobicContact CB-CD2 3.93Å; L725-L745 HydrophobicContact CB-CG 4.47Å
726M97.4Very high92.9Very high13 Ų1346 Ų466%0.06425%0.25CS..Hα-helixtrans-61-40.6171.8-71.9178.817600112.6I722 Q723 Y729 S730 L745 V769 F772I722-M726 HydrophobicContact CG2-CE 3.75Å; I722-M726 HydrophobicContact CG2-SD 4.29Å; I722-M726 WeakPolarHBondContact O-CG 3.46Å; I722-M726 PolarHBondContact O-N 3.45Å; Q723-M726 PolarHBondContact O-N 3.14Å; M726-Y729 PolarHBondContact O-N 3.46Å; M726-S730 PolarHBondContact O-N 3.18Å; M726-S730 PolarHBondContact O-OG 2.97Å; M726-L745 HydrophobicContact CG-CD1 3.96Å; M726-L745 HydrophobicContact CG-CD2 4.11Å; M726-V769 VanDerWaalsContact CE-CA 3.41Å; M726-V769 HydrophobicContact CE-CB 4.04Å; M726-V769 HydrophobicContact CE-CG2 3.59Å; M726-F772 HydrophobicContact CB-CD2 4.34Å; M726-F772 HydrophobicContact CB-CE1 4.44Å; M726-F772 HydrophobicContact CB-CE2 4.06Å; M726-F772 HydrophobicContact CB-CZ 4.11Å; M726-F772 HydrophobicContact CE-CB 3.59Å; M726-F772 HydrophobicContact CE-CD1 4.27Å; M726-F772 HydrophobicContact CE-CG 3.97Å; M726-F772 HydrophobicContact CG-CD1 3.99Å; M726-F772 HydrophobicContact CG-CD2 4.15Å; M726-F772 HydrophobicContact CG-CE1 4.11Å; M726-F772 HydrophobicContact CG-CE2 4.27Å; M726-F772 HydrophobicContact CG-CG 4.01Å; M726-F772 HydrophobicContact CG-CZ 4.25Å; M726-F772 HydrophobicContact SD-CB 4.03Å; M726-F772 HydrophobicContact SD-CD1 4.48Å; M726-F772 HydrophobicContact SD-CD2 4.12Å; M726-F772 HydrophobicContact SD-CG 3.98Å
727D96.5Very high92.7Very high79 Ų7945.8 Ų45.842%0.42225%0.25SC..Hα-helixtrans-64.6-46.4175.1-177.874.2000111.2Q723 Y724 L725 Y729 S730 H731Q723-D727 WeakPolarHBondContact O-CB 3.12Å; Q723-D727 PolarHBondContact O-N 3.4Å; Y724-D727 WeakPolarHBondContact O-CB 3.31Å; Y724-D727 PolarHBondContact O-N 2.92Å; L725-D727 VanDerWaalsContact C-N 3.32Å; L725-D727 PolarHBondContact O-N 2.88Å; D727-Y729 VanDerWaalsContact C-N 3.35Å; D727-Y729 PolarHBondContact O-N 2.93Å; D727-S730 WeakPolarHBondContact O-CB 3.2Å; D727-S730 PolarHBondContact O-N 3.23Å; D727-S730 VanDerWaalsContact O-N 3.1Å; D727-H731 PolarHBondContact O-N 3.18Å; D727-H731 PolarHBondContact O-ND1 3.08Å; D727-H731 IonicContact OD1-CE1 3.84Å; D727-H731 PolarHBondContact OD1-CE1 3.44Å; D727-H731 IonicContact OD1-ND1 3.99Å; D727-H731 PolarHBondContact OD1-ND1 3.3Å; D727-H731 IonicContact OD2-ND1 2.88Å
728R95.4Very high92.7Very high69 Ų6946.6 Ų46.626%0.2624%0.243SC..Hα-helixtrans-58.9-42.5175-74.2-63.4-57.3135.53.1112.7Y724 L725 S730 H731 T732 E737 I741Y724-R728 HydrophobicContact CD1-CG 4.08Å; Y724-R728 HydrophobicContact CD2-CG 4.4Å; Y724-R728 HydrophobicContact CE1-CG 3.59Å; Y724-R728 HydrophobicContact CE2-CG 3.95Å; Y724-R728 HydrophobicContact CG-CG 4.47Å; Y724-R728 WeakPolarHBondContact O-CB 3.38Å; Y724-R728 WeakPolarHBondContact O-CG 3.36Å; Y724-R728 PolarHBondContact O-N 3.48Å; L725-R728 PolarHBondContact O-N 2.85Å; R728-S730 PolarHBondContact O-N 2.86Å; R728-H731 PolarHBondContact O-N 3.02Å; R728-T732 WeakPolarHBondContact O-CB 3.41Å; R728-T732 WeakPolarHBondContact O-CG2 3.28Å; R728-T732 PolarHBondContact O-N 3.37Å; R728-E737 IonicContact CZ-OE1 2.69Å; R728-E737 IonicContact NE-OE1 2.84Å; R728-E737 VanDerWaalsContact NH2-CD 3.3Å; R728-E737 IonicContact NH2-OE1 3.34Å; R728-E737 PolarHBondContact NH2-OE1 2.85Å; R728-E737 IonicContact NH2-OE2 2.68Å; R728-E737 PolarHBondContact NH2-OE2 3.37Å; R728-I741 HydrophobicContact CB-CD1 3.79Å
729Y95.7Very high92.8Very high6 Ų645.3 Ų45.32%0.02423%0.228CC..Hα-helixtrans-56.7-42.1175.4-177.5-81.3000111.6L725 M726 D727 H731 R738 I741 L742 F772 P779 I780L725-Y729 WeakPolarHBondContact O-CB 3.38Å; L725-Y729 PolarHBondContact O-N 3.43Å; M726-Y729 PolarHBondContact O-N 3.46Å; D727-Y729 VanDerWaalsContact C-N 3.35Å; D727-Y729 PolarHBondContact O-N 2.93Å; Y729-H731 VanDerWaalsContact C-N 3.29Å; Y729-H731 PolarHBondContact O-N 2.69Å; Y729-R738 HydrophobicContact CD2-CB 4.01Å; Y729-R738 HydrophobicContact CD2-CG 4.31Å; Y729-R738 VanDerWaalsContact CD2-O 3.31Å; Y729-R738 WeakPolarHBondContact CD2-O 3.35Å; Y729-R738 HydrophobicContact CE2-CB 3.68Å; Y729-R738 HydrophobicContact CE2-CG 4.22Å; Y729-R738 WeakPolarHBondContact CE2-O 3.48Å; Y729-I741 HydrophobicContact CD2-CB 4.29Å; Y729-I741 HydrophobicContact CD2-CG2 4.16Å; Y729-L742 HydrophobicContact CD2-CB 4.34Å; Y729-L742 HydrophobicContact CE2-CB 3.91Å; Y729-L742 HydrophobicContact CE2-CD2 4.46Å; Y729-F772 HydrophobicContact CD1-CE1 4.1Å; Y729-F772 AromaticContact CD1-CZ 3.77Å; Y729-F772 HydrophobicContact CD1-CZ 3.77Å; Y729-F772 HydrophobicContact CG-CE1 4.23Å; Y729-F772 HydrophobicContact CG-CZ 4.16Å; Y729-P779 HydrophobicContact CD1-CB 4.27Å; Y729-P779 HydrophobicContact CD1-CG 4.1Å; Y729-P779 HydrophobicContact CE1-CB 4.28Å; Y729-P779 HydrophobicContact CE1-CG 4.33Å; Y729-I780 HydrophobicContact CD1-CG1 4.21Å; Y729-I780 HydrophobicContact CE1-CB 4.31Å; Y729-I780 HydrophobicContact CE1-CG1 3.5Å; Y729-I780 VanDerWaalsContact CE1-CG1 3.5Å
730S92.9Very high93Very high48 Ų4841.7 Ų41.734%0.33621%0.206SC..Hα-helixtrans-69.3-26.3-175.9-53.40000113M726 D727 R728 P779M726-S730 PolarHBondContact O-N 3.18Å; M726-S730 PolarHBondContact O-OG 2.97Å; D727-S730 WeakPolarHBondContact O-CB 3.2Å; D727-S730 PolarHBondContact O-N 3.23Å; D727-S730 VanDerWaalsContact O-N 3.1Å; R728-S730 PolarHBondContact O-N 2.86Å; S730-P779 WeakPolarHBondContact OG-CG 3.42Å
731H90.5Very high93.1Very high123 Ų12338 Ų3857%0.56919%0.186SC*.Hα-helixtrans-115.1-14.4-171.1-61.9101.8000115D727 R728 Y729D727-H731 PolarHBondContact O-N 3.18Å; D727-H731 PolarHBondContact O-ND1 3.08Å; D727-H731 IonicContact OD1-CE1 3.84Å; D727-H731 PolarHBondContact OD1-CE1 3.44Å; D727-H731 IonicContact OD1-ND1 3.99Å; D727-H731 PolarHBondContact OD1-ND1 3.3Å; D727-H731 IonicContact OD2-ND1 2.88Å; R728-H731 PolarHBondContact O-N 3.02Å; Y729-H731 VanDerWaalsContact C-N 3.29Å; Y729-H731 PolarHBondContact O-N 2.69Å
732T87.9Confident93.1Very high9 Ų937.6 Ų37.66%0.05518%0.184CC..  trans-75.4138.2178.8-1740000111.8R728 S734 E737 R738R728-T732 WeakPolarHBondContact O-CB 3.41Å; R728-T732 WeakPolarHBondContact O-CG2 3.28Å; R728-T732 PolarHBondContact O-N 3.37Å; T732-S734 PolarHBondContact OG1-N 3.07Å; T732-E737 VanDerWaalsContact CB-OE2 3.3Å; T732-E737 WeakPolarHBondContact CB-OE2 3.38Å; T732-E737 HydrophobicContact CG2-CB 4.19Å; T732-E737 HydrophobicContact CG2-CG 4.37Å; T732-E737 PolarHBondContact OG1-OE2 3.08Å; T732-R738 HydrophobicContact CG2-CG 3.5Å; T732-R738 VanDerWaalsContact CG2-CG 3.5Å; T732-R738 PolarHBondContact O-NE 3.22Å; T732-R738 PolarHBondContact O-NH2 2.95Å
733D83.4Confident93.1Very high80 Ų8040 Ų4043%0.42820%0.196SC..  trans-88-5.7172.2-74.5-41.3000113.5P735D733-P735 VanDerWaalsContact O-CD 3.23Å; D733-P735 WeakPolarHBondContact O-CD 3.47Å
734S87.6Confident93.1Very high29 Ų2934 Ų3420%0.20317%0.168CC..  trans-78.1114.8179.2174.40000111.1T732 E736 E737 R738T732-S734 PolarHBondContact OG1-N 3.07Å; S734-E736 PolarHBondContact O-N 3.26Å; S734-E737 PolarHBondContact O-N 2.87Å; S734-E737 PolarHBondContact OG-N 3.25Å; S734-E737 VanDerWaalsContact OG-N 3.11Å; S734-R738 PolarHBondContact O-N 3.45Å; S734-R738 VanDerWaalsContact O-N 3.11Å
735P86.3Confident93.1Very high10 Ų1031.3 Ų31.37%0.06516%0.158CC..Hα-helixtrans-61.2-34.4175.7-22.235.2000112.3E277 R278 D733 H739E277-P735 HydrophobicContact CB-CB 4.1Å; E277-P735 HydrophobicContact CB-CG 3.93Å; R278-P735 HydrophobicContact CB-CB 3.95Å; D733-P735 VanDerWaalsContact O-CD 3.23Å; D733-P735 WeakPolarHBondContact O-CD 3.47Å; P735-H739 PolarHBondContact O-N 3.46Å
736E89.3Confident93.1Very high6 Ų631.3 Ų31.33%0.02816%0.158CC..Hα-helixtrans-64.5-50.1174.9177.7-175.3-145.700111.5S288 T291 R706 S734 R738 H739 H740S288-E736 WeakPolarHBondContact CB-OE1 3.35Å; S288-E736 PolarHBondContact N-OE1 2.98Å; S288-E736 PolarHBondContact OG-OE1 3.48Å; T291-E736 VanDerWaalsContact CB-OE1 3.26Å; T291-E736 WeakPolarHBondContact CB-OE1 3.17Å; T291-E736 HydrophobicContact CG2-CG 4.37Å; T291-E736 VanDerWaalsContact OG1-CD 3.31Å; T291-E736 WeakPolarHBondContact OG1-CG 3.37Å; T291-E736 PolarHBondContact OG1-OE1 3.25Å; R706-E736 IonicContact NH1-OE2 2.72Å; R706-E736 PolarHBondContact NH1-OE2 2.86Å; S734-E736 PolarHBondContact O-N 3.26Å; E736-R738 VanDerWaalsContact C-N 3.33Å; E736-R738 PolarHBondContact O-N 3.32Å; E736-H739 WeakPolarHBondContact O-CB 3.34Å; E736-H739 PolarHBondContact O-N 3.33Å; E736-H739 VanDerWaalsContact O-N 3.1Å; E736-H740 VanDerWaalsContact CG-CE1 3.46Å; E736-H740 WeakPolarHBondContact CG-CE1 3.45Å; E736-H740 PolarHBondContact O-CD2 3.13Å; E736-H740 PolarHBondContact O-N 2.99Å; E736-H740 IonicContact OE1-CE1 2.9Å; E736-H740 PolarHBondContact OE1-CE1 2.86Å; E736-H740 IonicContact OE1-NE2 3.47Å
737E90.4Very high93.1Very high25 Ų2530.7 Ų30.712%0.11716%0.155CC..Hα-helixtrans-63.1-41.1-176.8-166.7-173.7178.400111.1R728 T732 S734 H739 H740 I741R728-E737 IonicContact CZ-OE1 2.69Å; R728-E737 IonicContact NE-OE1 2.84Å; R728-E737 VanDerWaalsContact NH2-CD 3.3Å; R728-E737 IonicContact NH2-OE1 3.34Å; R728-E737 PolarHBondContact NH2-OE1 2.85Å; R728-E737 IonicContact NH2-OE2 2.68Å; R728-E737 PolarHBondContact NH2-OE2 3.37Å; T732-E737 VanDerWaalsContact CB-OE2 3.3Å; T732-E737 WeakPolarHBondContact CB-OE2 3.38Å; T732-E737 HydrophobicContact CG2-CB 4.19Å; T732-E737 HydrophobicContact CG2-CG 4.37Å; T732-E737 PolarHBondContact OG1-OE2 3.08Å; S734-E737 PolarHBondContact O-N 2.87Å; S734-E737 PolarHBondContact OG-N 3.25Å; S734-E737 VanDerWaalsContact OG-N 3.11Å; E737-H739 VanDerWaalsContact C-N 3.29Å; E737-H739 PolarHBondContact O-N 3.46Å; E737-H740 PolarHBondContact O-N 3.1Å; E737-I741 HydrophobicContact CG-CD1 3.87Å; E737-I741 HydrophobicContact CG-CG1 4.36Å; E737-I741 WeakPolarHBondContact O-CB 3.49Å; E737-I741 VanDerWaalsContact O-CG1 3.27Å; E737-I741 WeakPolarHBondContact O-CG1 3.5Å; E737-I741 PolarHBondContact O-N 3.27Å
738R92.6Very high93.1Very high49 Ų4927 Ų2719%0.18514%0.135CC..Hα-helixtrans-54.6-47.5172.9-72.1-169.6-177.9131.8-2.4111.3Y729 T732 S734 E736 I741 L742Y729-R738 HydrophobicContact CD2-CB 4.01Å; Y729-R738 HydrophobicContact CD2-CG 4.31Å; Y729-R738 VanDerWaalsContact CD2-O 3.31Å; Y729-R738 WeakPolarHBondContact CD2-O 3.35Å; Y729-R738 HydrophobicContact CE2-CB 3.68Å; Y729-R738 HydrophobicContact CE2-CG 4.22Å; Y729-R738 WeakPolarHBondContact CE2-O 3.48Å; T732-R738 HydrophobicContact CG2-CG 3.5Å; T732-R738 VanDerWaalsContact CG2-CG 3.5Å; T732-R738 PolarHBondContact O-NE 3.22Å; T732-R738 PolarHBondContact O-NH2 2.95Å; S734-R738 PolarHBondContact O-N 3.45Å; S734-R738 VanDerWaalsContact O-N 3.11Å; E736-R738 VanDerWaalsContact C-N 3.33Å; E736-R738 PolarHBondContact O-N 3.32Å; R738-I741 PolarHBondContact O-N 3Å; R738-L742 WeakPolarHBondContact O-CB 3.49Å; R738-L742 PolarHBondContact O-N 2.99Å
739H92.8Very high93Very high43 Ų4328.2 Ų28.220%0.19914%0.139CC..Hα-helixtrans-62.4-46.7179.6-174.560.9000112P735 E736 E737 I741 L742 L743P735-H739 PolarHBondContact O-N 3.46Å; E736-H739 WeakPolarHBondContact O-CB 3.34Å; E736-H739 PolarHBondContact O-N 3.33Å; E736-H739 VanDerWaalsContact O-N 3.1Å; E737-H739 VanDerWaalsContact C-N 3.29Å; E737-H739 PolarHBondContact O-N 3.46Å; H739-I741 PolarHBondContact O-N 3.29Å; H739-L742 PolarHBondContact O-N 3.46Å; H739-L743 WeakPolarHBondContact NE2-CD1 3.49Å; H739-L743 WeakPolarHBondContact O-CG 3.04Å; H739-L743 PolarHBondContact O-N 3.05Å
740H94.1Very high92.7Very high9 Ų929.5 Ų29.54%0.04215%0.146CC..Hα-helixtrans-60.4-45.2178.7-67.9-175.3000112.2T707 E736 E737 A744T707-H740 WeakPolarHBondContact OG1-CB 3.34Å; T707-H740 PolarHBondContact OG1-CD2 3.08Å; T707-H740 PolarHBondContact OG1-ND1 2.98Å; E736-H740 VanDerWaalsContact CG-CE1 3.46Å; E736-H740 WeakPolarHBondContact CG-CE1 3.45Å; E736-H740 PolarHBondContact O-CD2 3.13Å; E736-H740 PolarHBondContact O-N 2.99Å; E736-H740 IonicContact OE1-CE1 2.9Å; E736-H740 PolarHBondContact OE1-CE1 2.86Å; E736-H740 IonicContact OE1-NE2 3.47Å; E737-H740 PolarHBondContact O-N 3.1Å; H740-A744 WeakPolarHBondContact O-CB 3.49Å; H740-A744 PolarHBondContact O-N 3.31Å
741I97Very high92.3Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-61.3-47.2176.9-69.3169.6000110.5Y710 L725 R728 Y729 E737 R738 H739 L743 A744 L745Y710-I741 HydrophobicContact CD2-CG1 4.12Å; Y710-I741 HydrophobicContact CE2-CG1 3.9Å; L725-I741 HydrophobicContact CB-CG2 3.98Å; L725-I741 HydrophobicContact CD2-CG1 4.24Å; L725-I741 WeakPolarHBondContact O-CG2 3.4Å; R728-I741 HydrophobicContact CB-CD1 3.79Å; Y729-I741 HydrophobicContact CD2-CB 4.29Å; Y729-I741 HydrophobicContact CD2-CG2 4.16Å; E737-I741 HydrophobicContact CG-CD1 3.87Å; E737-I741 HydrophobicContact CG-CG1 4.36Å; E737-I741 WeakPolarHBondContact O-CB 3.49Å; E737-I741 VanDerWaalsContact O-CG1 3.27Å; E737-I741 WeakPolarHBondContact O-CG1 3.5Å; E737-I741 PolarHBondContact O-N 3.27Å; R738-I741 PolarHBondContact O-N 3Å; H739-I741 PolarHBondContact O-N 3.29Å; I741-L743 VanDerWaalsContact C-N 3.35Å; I741-L743 PolarHBondContact O-N 2.78Å; I741-A744 PolarHBondContact O-N 3.18Å; I741-L745 HydrophobicContact CG2-CD1 3.85Å; I741-L745 HydrophobicContact CG2-CG 4.08Å; I741-L745 VanDerWaalsContact O-CG 3.31Å; I741-L745 WeakPolarHBondContact O-CG 3.36Å; I741-L745 PolarHBondContact O-N 2.98Å
742L96.9Very high91.4Very high2 Ų227.2 Ų27.21%0.0114%0.137CC..Hα-helixtrans-61.3-42.7-177.4-17560.3000112.4Y729 R738 H739 I780 D784 H787Y729-L742 HydrophobicContact CD2-CB 4.34Å; Y729-L742 HydrophobicContact CE2-CB 3.91Å; Y729-L742 HydrophobicContact CE2-CD2 4.46Å; R738-L742 WeakPolarHBondContact O-CB 3.49Å; R738-L742 PolarHBondContact O-N 2.99Å; H739-L742 PolarHBondContact O-N 3.46Å; L742-I780 HydrophobicContact CD1-CD1 3.65Å; L742-I780 HydrophobicContact CD1-CG1 4.39Å; L742-D784 HydrophobicContact CD2-CB 4.06Å; L742-D784 VanDerWaalsContact CD2-O 3.31Å; L742-D784 WeakPolarHBondContact CD2-O 3.19Å; L742-H787 HydrophobicContact CD2-CB 4.38Å
743L96Very high89.9Confident58 Ų5831.9 Ų31.930%0.30417%0.169SC..Hα-helixtrans-64.7-43.3175.2-66.9-176.2000111.7H739 I741 G746 H787 A791H739-L743 WeakPolarHBondContact NE2-CD1 3.49Å; H739-L743 WeakPolarHBondContact O-CG 3.04Å; H739-L743 PolarHBondContact O-N 3.05Å; I741-L743 VanDerWaalsContact C-N 3.35Å; I741-L743 PolarHBondContact O-N 2.78Å; L743-G746 PolarHBondContact O-N 3.38Å; L743-H787 HydrophobicContact CD2-CB 4.42Å; L743-A791 HydrophobicContact CD2-CB 4.38Å
744A97.5Very high88.6Confident0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-65.2-40.2-179.900000112.8Y710 V714 H740 I741 G746 A747Y710-A744 VanDerWaalsContact CB-CB 3.41Å; V714-A744 WeakPolarHBondContact CG1-O 3.28Å; H740-A744 WeakPolarHBondContact O-CB 3.49Å; H740-A744 PolarHBondContact O-N 3.31Å; I741-A744 PolarHBondContact O-N 3.18Å; A744-G746 PolarHBondContact O-N 2.92Å; A744-A747 VanDerWaalsContact O-CB 3.27Å; A744-A747 WeakPolarHBondContact O-CB 3.45Å; A744-A747 PolarHBondContact O-N 3.25Å
745L97.8Very high87Confident0 Ų033.4 Ų33.40%019%0.185CC..Hα-helixtrans-56.4-31.4175.7-75.9174.2000112I722 L725 M726 I741 A747 A748 V769 F772I722-L745 HydrophobicContact CG2-CD2 4.02Å; L725-L745 HydrophobicContact CB-CD2 3.93Å; L725-L745 HydrophobicContact CB-CG 4.47Å; M726-L745 HydrophobicContact CG-CD1 3.96Å; M726-L745 HydrophobicContact CG-CD2 4.11Å; I741-L745 HydrophobicContact CG2-CD1 3.85Å; I741-L745 HydrophobicContact CG2-CG 4.08Å; I741-L745 VanDerWaalsContact O-CG 3.31Å; I741-L745 WeakPolarHBondContact O-CG 3.36Å; I741-L745 PolarHBondContact O-N 2.98Å; L745-A747 PolarHBondContact O-N 3.1Å; L745-A748 WeakPolarHBondContact O-CB 3.43Å; L745-A748 PolarHBondContact O-N 3.07Å; L745-A748 VanDerWaalsContact O-N 3.12Å; L745-V769 HydrophobicContact CB-CG1 3.94Å; L745-V769 HydrophobicContact CB-CG2 4.36Å; L745-V769 HydrophobicContact CD2-CG2 4.36Å; L745-F772 HydrophobicContact CD1-CD1 4.19Å; L745-F772 HydrophobicContact CD1-CE1 4.05Å
746G96.8Very high85.6Confident0 Ų035.2 Ų35.20%019%0.194CC..THydrogen-bonded Turntrans-60-15.6175.200000114.7L743 A744 A748 C792 W795L743-G746 PolarHBondContact O-N 3.38Å; A744-G746 PolarHBondContact O-N 2.92Å; G746-A748 PolarHBondContact O-N 3.44Å; G746-C792 WeakPolarHBondContact O-CA 3.47Å; G746-W795 PolarHBondContact O-NE1 2.92Å
747A96.9Very high83.8Confident0 Ų042.2 Ų42.20%023%0.232CC..THydrogen-bonded Turntrans-79.4-2.7177.100000114.8T711 V714 R715 A744 L745 R749 W795T711-A747 HydrophobicContact CG2-CB 3.85Å; V714-A747 HydrophobicContact CB-CB 4.42Å; V714-A747 HydrophobicContact CG1-CB 4.06Å; R715-A747 HydrophobicContact CB-CB 4.09Å; A744-A747 VanDerWaalsContact O-CB 3.27Å; A744-A747 WeakPolarHBondContact O-CB 3.45Å; A744-A747 PolarHBondContact O-N 3.25Å; L745-A747 PolarHBondContact O-N 3.1Å; A747-R749 PolarHBondContact O-N 3.35Å; A747-W795 VanDerWaalsContact CA-NE1 3.33Å; A747-W795 HydrophobicContact CB-CD2 4.3Å; A747-W795 HydrophobicContact CB-CH2 4.28Å; A747-W795 HydrophobicContact CB-CZ2 3.58Å
748A96.7Very high81.9Confident1 Ų146.6 Ų46.61%0.00826%0.256CS..PPolyproline II helixtrans-56.6136.1179.400000111.2V714 I722 L745 G746 P765 L766 V769V714-A748 HydrophobicContact CG1-CB 4.04Å; V714-A748 VanDerWaalsContact CG1-N 3.35Å; I722-A748 HydrophobicContact CD1-CB 3.97Å; L745-A748 WeakPolarHBondContact O-CB 3.43Å; L745-A748 PolarHBondContact O-N 3.07Å; L745-A748 VanDerWaalsContact O-N 3.12Å; G746-A748 PolarHBondContact O-N 3.44Å; A748-P765 HydrophobicContact CB-CB 4.32Å; A748-L766 HydrophobicContact CB-CB 4.46Å; A748-L766 HydrophobicContact CB-CD1 4.43Å; A748-V769 HydrophobicContact CB-CB 4.45Å; A748-V769 HydrophobicContact CB-CG2 3.7Å
749R93.4Very high79.6Confident94 Ų9449.8 Ų49.836%0.35529%0.286SS..PPolyproline II helixtrans-78.6135-174.2-74.5-179.6161.2177.1-8.7111.2E679 R715 H716 A747 P765 L766E679-R749 IonicContact OE1-NH2 2.77Å; E679-R749 PolarHBondContact OE1-NH2 2.6Å; E679-R749 IonicContact OE2-NH2 3.22Å; E679-R749 PolarHBondContact OE2-NH2 2.98Å; R715-R749 HydrophobicContact CG-CG 4.36Å; R715-R749 WeakPolarHBondContact O-CD 3.38Å; R715-R749 PolarHBondContact O-NE 3.35Å; H716-R749 PolarHBondContact CE1-NH2 2.9Å; H716-R749 VanDerWaalsContact CE1-NH2 3.3Å; H716-R749 PolarHBondContact ND1-NH2 2.95Å; H716-R749 VanDerWaalsContact ND1-NH2 3.18Å; A747-R749 PolarHBondContact O-N 3.35Å; R749-P765 WeakPolarHBondContact O-CD 3.44Å; R749-L766 PolarHBondContact O-N 3.18Å
750E90.4Very high77.4Confident33 Ų3350.6 Ų50.615%0.15430%0.297CS..PPolyproline II helixtrans-79.2118.6161.9-176.550.9-10000108.9N752 S764 L766 P798 A799 A802E750-N752 WeakPolarHBondContact OE1-CA 3.48Å; E750-N752 VanDerWaalsContact OE1-CB 3.3Å; E750-N752 WeakPolarHBondContact OE1-CB 3.44Å; E750-N752 PolarHBondContact OE1-N 2.94Å; E750-S764 WeakPolarHBondContact OE1-CB 3.3Å; E750-S764 PolarHBondContact OE1-OG 3.11Å; E750-S764 PolarHBondContact OE2-OG 3.09Å; E750-S764 VanDerWaalsContact OE2-OG 3.11Å; E750-L766 HydrophobicContact CB-CB 4.43Å; E750-L766 HydrophobicContact CB-CD2 3.82Å; E750-P798 HydrophobicContact CB-CB 4.11Å; E750-P798 HydrophobicContact CG-CB 3.87Å; E750-A799 HydrophobicContact CB-CB 4.42Å; E750-A802 HydrophobicContact CG-CB 4.44Å; E750-A802 VanDerWaalsContact OE2-CB 3.31Å; E750-A802 WeakPolarHBondContact OE2-CB 3.34Å
751T83.8Confident75.2Confident84 Ų8456.1 Ų56.152%0.51534%0.336SS..  trans-104.9-11.6-179.9540000112.6S764T751-S764 VanDerWaalsContact OG1-CB 3.24Å; T751-S764 WeakPolarHBondContact OG1-CB 3.33Å
752N71.7Confident73.2Confident39 Ų3959.3 Ų59.321%0.20936%0.358CS..  trans-93.6107.7173.2-59.3-51.2000109.9E750 N754 S762E750-N752 WeakPolarHBondContact OE1-CA 3.48Å; E750-N752 VanDerWaalsContact OE1-CB 3.3Å; E750-N752 WeakPolarHBondContact OE1-CB 3.44Å; E750-N752 PolarHBondContact OE1-N 2.94Å; N752-N754 PolarHBondContact O-N 2.93Å; N752-N754 VanDerWaalsContact O-N 3.14Å; N752-S762 PolarHBondContact ND2-O 3.22Å; N752-S762 PolarHBondContact OD1-OG 3.38Å
753C57Low72.1Confident108 Ų10863.4 Ų63.473%0.7339%0.387SS*.  trans-81.417.3-175.1-56.20000114.8
754N55.5Low71.7Confident97 Ų9760.7 Ų60.752%0.51937%0.373SS..  trans-95.9129.6-169.4-65-25.8000111.4N752 S760N752-N754 PolarHBondContact O-N 2.93Å; N752-N754 VanDerWaalsContact O-N 3.14Å; N754-S760 PolarHBondContact ND2-OG 3.24Å
755G54.6Low71.6Confident44 Ų4462 Ų6245%0.45438%0.381SS..  trans-60.6177.8-176.200000115.4N757 N758G755-N757 PolarHBondContact O-N 2.88Å; G755-N758 PolarHBondContact O-N 3.12Å
756L57.1Low71.4Confident47 Ų4762 Ų6225%0.24638%0.381CS..THydrogen-bonded Turntrans-45.6-32.4-173-83139.3000114.7L801 K805L756-L801 HydrophobicContact CD1-CD2 3.5Å; L756-L801 HydrophobicContact CG-CD2 3.98Å; L756-K805 HydrophobicContact CD2-CB 4.25Å; L756-K805 WeakPolarHBondContact O-CE 3.37Å; L756-K805 PolarHBondContact O-NZ 3.02Å
757N51.4Low71.3Confident153 Ų15364.5 Ų64.582%0.81840%0.399SS*.THydrogen-bonded Turntrans-92.81.9-165.7-64.7-10.1000117.4G755G755-N757 PolarHBondContact O-N 2.88Å
758N49.8Very low71.1Confident117 Ų11767.7 Ų67.763%0.62642%0.416SS*.  trans-123.2147.6-178.3-81-26.3000114.4G755 K805G755-N758 PolarHBondContact O-N 3.12Å; N758-K805 PolarHBondContact O-NZ 2.82Å
759S43.9Very low71.2Confident117 Ų11767.7 Ų67.782%0.81842%0.416SS*.  trans-110.445.3-169640000113.7
760S47.5Very low71.3Confident60 Ų6063.4 Ų63.442%0.4240%0.4SS..  trans-76.3129.8176.560.70000111.3N754 S762N754-S760 PolarHBondContact ND2-OG 3.24Å; S760-S762 PolarHBondContact O-N 3.36Å
761S47.4Very low71.6Confident125 Ų12568 Ų6887%0.87442%0.421SS*.  trans-9423.3-160.256.80000116.6
762S55Low72.2Confident67 Ų6765.1 Ų65.147%0.46940%0.402SS..PPolyproline II helixtrans-84.2120.3170.537.50000109.5N752 S760 S764N752-S762 PolarHBondContact ND2-O 3.22Å; N752-S762 PolarHBondContact OD1-OG 3.38Å; S760-S762 PolarHBondContact O-N 3.36Å; S762-S764 PolarHBondContact O-N 3.45Å
763S74.3Confident73.4Confident87 Ų8763.3 Ų63.361%0.60839%0.392SS*.PPolyproline II helixtrans-69.1126.9176.1640000110
764S88Confident75.2Confident1 Ų158.9 Ų58.91%0.00736%0.361CS..PPolyproline II helixtrans-89.3157.716963.10000109.7E750 T751 S762 L766 S767 D768E750-S764 WeakPolarHBondContact OE1-CB 3.3Å; E750-S764 PolarHBondContact OE1-OG 3.11Å; E750-S764 PolarHBondContact OE2-OG 3.09Å; E750-S764 VanDerWaalsContact OE2-OG 3.11Å; T751-S764 VanDerWaalsContact OG1-CB 3.24Å; T751-S764 WeakPolarHBondContact OG1-CB 3.33Å; S762-S764 PolarHBondContact O-N 3.45Å; S764-L766 PolarHBondContact O-N 3.49Å; S764-S767 WeakPolarHBondContact O-CA 3.39Å; S764-S767 VanDerWaalsContact O-CB 3.28Å; S764-S767 WeakPolarHBondContact O-CB 3.49Å; S764-S767 PolarHBondContact O-N 3.07Å; S764-S767 PolarHBondContact OG-N 3.41Å; S764-S767 VanDerWaalsContact OG-N 3.14Å; S764-D768 PolarHBondContact O-N 3.06Å
765P93.8Very high77.1Confident28 Ų2856.7 Ų56.718%0.18235%0.349CS..Hα-helixtrans-52.6-36.6172.4-26.133.6000113T719 I722 A748 R749 D768 V769T719-P765 HydrophobicContact CG2-CB 4.12Å; T719-P765 HydrophobicContact CG2-CG 3.88Å; I722-P765 HydrophobicContact CD1-CB 3.6Å; A748-P765 HydrophobicContact CB-CB 4.32Å; R749-P765 WeakPolarHBondContact O-CD 3.44Å; P765-D768 PolarHBondContact O-N 3.29Å; P765-V769 PolarHBondContact O-N 2.99Å
766L95.6Very high78.8Confident0 Ų058 Ų580%035%0.349CS..Hα-helixtrans-66.2-39.2174.5-177.563.3000112.6A748 R749 E750 S764 D768 V769 L770 C792 A799 A802A748-L766 HydrophobicContact CB-CB 4.46Å; A748-L766 HydrophobicContact CB-CD1 4.43Å; R749-L766 PolarHBondContact O-N 3.18Å; E750-L766 HydrophobicContact CB-CB 4.43Å; E750-L766 HydrophobicContact CB-CD2 3.82Å; S764-L766 PolarHBondContact O-N 3.49Å; L766-D768 VanDerWaalsContact C-N 3.26Å; L766-D768 PolarHBondContact O-N 3.06Å; L766-V769 PolarHBondContact O-N 3.4Å; L766-L770 HydrophobicContact CD1-CD1 4.46Å; L766-L770 HydrophobicContact CD1-CG 4.26Å; L766-L770 HydrophobicContact CD2-CD1 4.34Å; L766-L770 HydrophobicContact CG-CD1 3.92Å; L766-L770 HydrophobicContact CG-CG 4.18Å; L766-L770 WeakPolarHBondContact O-CG 3.42Å; L766-L770 PolarHBondContact O-N 3.3Å; L766-C792 HydrophobicContact CD1-CB 3.85Å; L766-A799 VanDerWaalsContact CD2-CA 3.49Å; L766-A799 HydrophobicContact CD2-CB 3.61Å; L766-A802 HydrophobicContact CD2-CB 3.99Å
767S93.7Very high80.4Confident52 Ų5262.9 Ų62.936%0.36438%0.376SS..Hα-helixtrans-58.8-39.5177-173.50000111.9S764 L770 H771S764-S767 WeakPolarHBondContact O-CA 3.39Å; S764-S767 VanDerWaalsContact O-CB 3.28Å; S764-S767 WeakPolarHBondContact O-CB 3.49Å; S764-S767 PolarHBondContact O-N 3.07Å; S764-S767 PolarHBondContact OG-N 3.41Å; S764-S767 VanDerWaalsContact OG-N 3.14Å; S767-L770 PolarHBondContact O-N 3.48Å; S767-H771 WeakPolarHBondContact O-CB 3.24Å; S767-H771 PolarHBondContact O-N 3.34Å
768D93.8Very high82.3Confident68 Ų6856.5 Ų56.536%0.36435%0.347SS..Hα-helixtrans-65.6-42.2177.5-61.5-23.6000110.8S764 P765 L766 H771 F772S764-D768 PolarHBondContact O-N 3.06Å; P765-D768 PolarHBondContact O-N 3.29Å; L766-D768 VanDerWaalsContact C-N 3.26Å; L766-D768 PolarHBondContact O-N 3.06Å; D768-H771 PolarHBondContact O-N 3.05Å; D768-F772 WeakPolarHBondContact O-CB 3.06Å; D768-F772 PolarHBondContact O-N 3.36Å
769V97Very high84.3Confident1 Ų153.8 Ų53.81%0.00634%0.335CS..Hα-helixtrans-64.7-42.3175177.70000112.2I722 M726 L745 A748 P765 L766 H771 F772 C773I722-V769 HydrophobicContact CG2-CG2 3.82Å; M726-V769 VanDerWaalsContact CE-CA 3.41Å; M726-V769 HydrophobicContact CE-CB 4.04Å; M726-V769 HydrophobicContact CE-CG2 3.59Å; L745-V769 HydrophobicContact CB-CG1 3.94Å; L745-V769 HydrophobicContact CB-CG2 4.36Å; L745-V769 HydrophobicContact CD2-CG2 4.36Å; A748-V769 HydrophobicContact CB-CB 4.45Å; A748-V769 HydrophobicContact CB-CG2 3.7Å; P765-V769 PolarHBondContact O-N 2.99Å; L766-V769 PolarHBondContact O-N 3.4Å; V769-H771 VanDerWaalsContact C-N 3.34Å; V769-F772 WeakPolarHBondContact O-CB 3.28Å; V769-F772 PolarHBondContact O-N 3.31Å; V769-C773 WeakPolarHBondContact O-CB 3.42Å; V769-C773 PolarHBondContact O-N 3.06Å; V769-C773 PolarHBondContact O-SG 2.55Å
770L97.1Very high86.6Confident3 Ų348.3 Ų48.32%0.01630%0.296CS..Hα-helixtrans-64-40.8177-71.2171.7000111.2L766 S767 C773 L774 L789 C792 A802 T803L766-L770 HydrophobicContact CD1-CD1 4.46Å; L766-L770 HydrophobicContact CD1-CG 4.26Å; L766-L770 HydrophobicContact CD2-CD1 4.34Å; L766-L770 HydrophobicContact CG-CD1 3.92Å; L766-L770 HydrophobicContact CG-CG 4.18Å; L766-L770 WeakPolarHBondContact O-CG 3.42Å; L766-L770 PolarHBondContact O-N 3.3Å; S767-L770 PolarHBondContact O-N 3.48Å; L770-C773 PolarHBondContact O-N 3.27Å; L770-L774 WeakPolarHBondContact O-CB 3.24Å; L770-L774 WeakPolarHBondContact O-CG 3.25Å; L770-L774 PolarHBondContact O-N 2.86Å; L770-L789 HydrophobicContact CD2-CD2 3.92Å; L770-C792 HydrophobicContact CD2-CB 3.89Å; L770-A802 HydrophobicContact CD1-CB 4.21Å; L770-T803 HydrophobicContact CD2-CG2 3.95Å
771H95.7Very high88.7Confident131 Ų13147.5 Ų47.561%0.60629%0.285SS*.Hα-helixtrans-62.6-43.2173.7-179.4-89.7000111.5S767 D768 V769 C773 L774 N775S767-H771 WeakPolarHBondContact O-CB 3.24Å; S767-H771 PolarHBondContact O-N 3.34Å; D768-H771 PolarHBondContact O-N 3.05Å; V769-H771 VanDerWaalsContact C-N 3.34Å; H771-C773 PolarHBondContact O-N 3.34Å; H771-L774 PolarHBondContact O-N 2.9Å; H771-N775 VanDerWaalsContact O-CB 3.32Å; H771-N775 WeakPolarHBondContact O-CB 3.44Å; H771-N775 PolarHBondContact O-N 3.38Å
772F96.2Very high90.7Very high23 Ų2344.2 Ų44.210%0.10126%0.258CS..Hα-helixtrans-59-46174.3-176.3-110.4000112M726 Y729 L745 D768 V769 L774 P779 I780M726-F772 HydrophobicContact CB-CD2 4.34Å; M726-F772 HydrophobicContact CB-CE1 4.44Å; M726-F772 HydrophobicContact CB-CE2 4.06Å; M726-F772 HydrophobicContact CB-CZ 4.11Å; M726-F772 HydrophobicContact CE-CB 3.59Å; M726-F772 HydrophobicContact CE-CD1 4.27Å; M726-F772 HydrophobicContact CE-CG 3.97Å; M726-F772 HydrophobicContact CG-CD1 3.99Å; M726-F772 HydrophobicContact CG-CD2 4.15Å; M726-F772 HydrophobicContact CG-CE1 4.11Å; M726-F772 HydrophobicContact CG-CE2 4.27Å; M726-F772 HydrophobicContact CG-CG 4.01Å; M726-F772 HydrophobicContact CG-CZ 4.25Å; M726-F772 HydrophobicContact SD-CB 4.03Å; M726-F772 HydrophobicContact SD-CD1 4.48Å; M726-F772 HydrophobicContact SD-CD2 4.12Å; M726-F772 HydrophobicContact SD-CG 3.98Å; Y729-F772 HydrophobicContact CD1-CE1 4.1Å; Y729-F772 AromaticContact CD1-CZ 3.77Å; Y729-F772 HydrophobicContact CD1-CZ 3.77Å; Y729-F772 HydrophobicContact CG-CE1 4.23Å; Y729-F772 HydrophobicContact CG-CZ 4.16Å; L745-F772 HydrophobicContact CD1-CD1 4.19Å; L745-F772 HydrophobicContact CD1-CE1 4.05Å; D768-F772 WeakPolarHBondContact O-CB 3.06Å; D768-F772 PolarHBondContact O-N 3.36Å; V769-F772 WeakPolarHBondContact O-CB 3.28Å; V769-F772 PolarHBondContact O-N 3.31Å; F772-L774 VanDerWaalsContact C-N 3.35Å; F772-L774 PolarHBondContact O-N 2.8Å; F772-P779 HydrophobicContact CD2-CG 4.47Å; F772-P779 HydrophobicContact CE2-CG 3.41Å; F772-P779 VanDerWaalsContact CE2-CG 3.41Å; F772-P779 HydrophobicContact CZ-CG 3.5Å; F772-P779 VanDerWaalsContact CZ-CG 3.5Å; F772-I780 HydrophobicContact CD1-CD1 3.35Å; F772-I780 HydrophobicContact CD1-CG1 4.23Å; F772-I780 HydrophobicContact CE1-CD1 3.38Å; F772-I780 HydrophobicContact CE1-CG1 3.8Å; F772-I780 HydrophobicContact CG-CD1 4.22Å; F772-I780 HydrophobicContact CZ-CD1 4.25Å; F772-I780 HydrophobicContact CZ-CG1 4.26Å
773C96.8Very high92.4Very high1 Ų141.4 Ų41.41%0.00724%0.238CC..Hα-helixtrans-65.3-34.5178.3-66.70000113.5V769 L770 H771 I780 R785 L789V769-C773 WeakPolarHBondContact O-CB 3.42Å; V769-C773 PolarHBondContact O-N 3.06Å; V769-C773 PolarHBondContact O-SG 2.55Å; L770-C773 PolarHBondContact O-N 3.27Å; H771-C773 PolarHBondContact O-N 3.34Å; C773-I780 HydrophobicContact CB-CD1 4.38Å; C773-R785 WeakPolarHBondContact O-CD 3.45Å; C773-R785 WeakPolarHBondContact O-CG 3.41Å; C773-R785 PolarHBondContact O-NH1 3.44Å; C773-L789 HydrophobicContact CB-CD2 4.21Å; C773-L789 HydrophobicContact CB-CG 4.47Å
774L95.7Very high93.3Very high14 Ų1438.3 Ų38.37%0.07321%0.214CC..Hα-helixtrans-95.6-16.2-175.1-69.9167.9000113.6L770 H771 F772 P776 L789 E810 R813 I814L770-L774 WeakPolarHBondContact O-CB 3.24Å; L770-L774 WeakPolarHBondContact O-CG 3.25Å; L770-L774 PolarHBondContact O-N 2.86Å; H771-L774 PolarHBondContact O-N 2.9Å; F772-L774 VanDerWaalsContact C-N 3.35Å; F772-L774 PolarHBondContact O-N 2.8Å; L774-P776 VanDerWaalsContact O-CD 3.26Å; L774-P776 WeakPolarHBondContact O-CD 3.48Å; L774-L789 HydrophobicContact CD1-CD2 4.38Å; L774-L789 HydrophobicContact CD2-CD1 4.03Å; L774-L789 HydrophobicContact CD2-CD2 4.14Å; L774-L789 HydrophobicContact CG-CD2 4.1Å; L774-E810 HydrophobicContact CD1-CG 4.42Å; L774-R813 VanDerWaalsContact O-CZ 3.24Å; L774-R813 PolarHBondContact O-NH1 3.22Å; L774-R813 PolarHBondContact O-NH2 3.28Å; L774-I814 HydrophobicContact CD2-CD1 4.21Å
775N94.5Very high93.6Very high51 Ų5138.4 Ų38.427%0.27322%0.215SC..  trans-58113.5-178.1179.24.1000111.2H771 N777 G778 R785H771-N775 VanDerWaalsContact O-CB 3.32Å; H771-N775 WeakPolarHBondContact O-CB 3.44Å; H771-N775 PolarHBondContact O-N 3.38Å; N775-N777 PolarHBondContact O-N 3.33Å; N775-N777 PolarHBondContact OD1-N 3.21Å; N775-G778 PolarHBondContact O-N 3.46Å; N775-G778 PolarHBondContact OD1-N 3.46Å; N775-R785 VanDerWaalsContact O-CZ 3.28Å; N775-R785 PolarHBondContact O-NH1 2.9Å; N775-R785 PolarHBondContact O-NH2 3.4Å
776P91.3Very high93.7Very high71 Ų7137.4 Ų37.446%0.46121%0.208SC..THydrogen-bonded Turntrans-62.6-29-17825.1-33.9000112.6L774 G778 R785L774-P776 VanDerWaalsContact O-CD 3.26Å; L774-P776 WeakPolarHBondContact O-CD 3.48Å; P776-G778 VanDerWaalsContact C-N 3.33Å; P776-R785 PolarHBondContact O-NH2 2.91Å
777N90.6Very high93.6Very high151 Ų15139.6 Ų39.681%0.80722%0.218SC*.THydrogen-bonded Turntrans-9712.9176.7-55.4-42.2000112.1N775N775-N777 PolarHBondContact O-N 3.33Å; N775-N777 PolarHBondContact OD1-N 3.21Å
778G91Very high93.7Very high19 Ų1937.2 Ų37.220%0.19620%0.201CC..SBendtrans-80.6171.3178.200000112.6N775 P776 I780N775-G778 PolarHBondContact O-N 3.46Å; N775-G778 PolarHBondContact OD1-N 3.46Å; P776-G778 VanDerWaalsContact C-N 3.33Å; G778-I780 VanDerWaalsContact C-N 3.27Å; G778-I780 PolarHBondContact O-N 3.05Å
779P91.1Very high93.9Very high59 Ų5934 Ų3438%0.38318%0.184SC..SBendtrans-75.4-12.9-177.532.8-38.3000113.7Y729 S730 F772 K781Y729-P779 HydrophobicContact CD1-CB 4.27Å; Y729-P779 HydrophobicContact CD1-CG 4.1Å; Y729-P779 HydrophobicContact CE1-CB 4.28Å; Y729-P779 HydrophobicContact CE1-CG 4.33Å; S730-P779 WeakPolarHBondContact OG-CG 3.42Å; F772-P779 HydrophobicContact CD2-CG 4.47Å; F772-P779 HydrophobicContact CE2-CG 3.41Å; F772-P779 VanDerWaalsContact CE2-CG 3.41Å; F772-P779 HydrophobicContact CZ-CG 3.5Å; F772-P779 VanDerWaalsContact CZ-CG 3.5Å; P779-K781 PolarHBondContact O-N 3.15Å
780I93.3Very high94Very high2 Ų235.7 Ų35.71%0.0119%0.194CC..SBendtrans-79.2118.2-179-61.7170000109.5Y729 L742 F772 C773 G778 D784 R785Y729-I780 HydrophobicContact CD1-CG1 4.21Å; Y729-I780 HydrophobicContact CE1-CB 4.31Å; Y729-I780 HydrophobicContact CE1-CG1 3.5Å; Y729-I780 VanDerWaalsContact CE1-CG1 3.5Å; L742-I780 HydrophobicContact CD1-CD1 3.65Å; L742-I780 HydrophobicContact CD1-CG1 4.39Å; F772-I780 HydrophobicContact CD1-CD1 3.35Å; F772-I780 HydrophobicContact CD1-CG1 4.23Å; F772-I780 HydrophobicContact CE1-CD1 3.38Å; F772-I780 HydrophobicContact CE1-CG1 3.8Å; F772-I780 HydrophobicContact CG-CD1 4.22Å; F772-I780 HydrophobicContact CZ-CD1 4.25Å; F772-I780 HydrophobicContact CZ-CG1 4.26Å; C773-I780 HydrophobicContact CB-CD1 4.38Å; G778-I780 VanDerWaalsContact C-N 3.27Å; G778-I780 PolarHBondContact O-N 3.05Å; I780-D784 HydrophobicContact CG2-CB 4.15Å; I780-R785 HydrophobicContact CB-CG 4.34Å; I780-R785 HydrophobicContact CG2-CB 4.29Å; I780-R785 HydrophobicContact CG2-CG 3.59Å; I780-R785 VanDerWaalsContact O-CZ 3.23Å; I780-R785 PolarHBondContact O-NH2 3.34Å; I780-R785 VanDerWaalsContact O-NH2 3.16Å
781K90.8Very high93.9Very high43 Ų4336.2 Ų36.219%0.18720%0.199CC..  trans-62.2146172.9-63.8177176.8176.50110.7P260 E277 P779 Q783 D784 R785P260-K781 WeakPolarHBondContact O-CD 3.41Å; P260-K781 PolarHBondContact O-NZ 3.01Å; E277-K781 IonicContact OE2-NZ 3.55Å; E277-K781 PolarHBondContact OE2-NZ 3.2Å; P779-K781 PolarHBondContact O-N 3.15Å; K781-Q783 VanDerWaalsContact C-N 3.31Å; K781-Q783 HydrophobicContact CB-CG 4.32Å; K781-Q783 PolarHBondContact O-N 3.48Å; K781-D784 PolarHBondContact O-N 3.46Å; K781-R785 PolarHBondContact O-N 3.34Å
782D90.2Very high94Very high57 Ų5730 Ų3031%0.30517%0.17SC..Hα-helixtrans-55.5-43.4-175.8-64.7-29.3000113D784 R785 Y818D782-D784 PolarHBondContact O-N 3.4Å; D782-R785 PolarHBondContact O-N 3.44Å; D782-R785 IonicContact OD1-CZ 3.76Å; D782-R785 IonicContact OD1-NE 3.14Å; D782-R785 PolarHBondContact OD1-NE 3.08Å; D782-R785 IonicContact OD1-NH2 3.35Å; D782-R785 PolarHBondContact OD1-NH2 3.29Å; D782-Y818 HydrophobicContact CB-CE1 4.37Å; D782-Y818 PolarHBondContact O-OH 3.35Å
783Q90.6Very high94Very high8 Ų828.9 Ų28.94%0.03717%0.165CC..Hα-helixtrans-57.3-23.2176.679.2-168.714.600114.8M105 P260 N261 M262 K781M105-Q783 HydrophobicContact CE-CB 4.15Å; M105-Q783 HydrophobicContact SD-CB 4.03Å; P260-Q783 PolarHBondContact O-NE2 3.01Å; N261-Q783 VanDerWaalsContact CA-OE1 3.25Å; M262-Q783 PolarHBondContact O-OE1 2.88Å; K781-Q783 VanDerWaalsContact C-N 3.31Å; K781-Q783 HydrophobicContact CB-CG 4.32Å; K781-Q783 PolarHBondContact O-N 3.48Å
784D93.1Very high93.8Very high21 Ų2131.3 Ų31.311%0.11218%0.182CC..Hα-helixtrans-101.4-22.9-173.2-64.6-46.5000111.9R276 L742 I780 K781 D782 I786 H787 G788R276-D784 IonicContact NH1-OD1 2.7Å; L742-D784 HydrophobicContact CD2-CB 4.06Å; L742-D784 VanDerWaalsContact CD2-O 3.31Å; L742-D784 WeakPolarHBondContact CD2-O 3.19Å; I780-D784 HydrophobicContact CG2-CB 4.15Å; K781-D784 PolarHBondContact O-N 3.46Å; D782-D784 PolarHBondContact O-N 3.4Å; D784-I786 PolarHBondContact O-N 3.17Å; D784-I786 VanDerWaalsContact O-N 3.12Å; D784-H787 WeakPolarHBondContact O-CB 3.33Å; D784-H787 PolarHBondContact O-N 3Å; D784-H787 IonicContact OD1-CD2 3.19Å; D784-G788 PolarHBondContact O-N 3.21Å
785R94.6Very high93.6Very high4 Ų432.5 Ų32.52%0.01519%0.186CC..Hα-helixtrans-52.6-39179.1-63.4-179.5-172.3-82.90.3112.2C773 N775 P776 I780 K781 D782 H787 G788 L789C773-R785 WeakPolarHBondContact O-CD 3.45Å; C773-R785 WeakPolarHBondContact O-CG 3.41Å; C773-R785 PolarHBondContact O-NH1 3.44Å; N775-R785 VanDerWaalsContact O-CZ 3.28Å; N775-R785 PolarHBondContact O-NH1 2.9Å; N775-R785 PolarHBondContact O-NH2 3.4Å; P776-R785 PolarHBondContact O-NH2 2.91Å; I780-R785 HydrophobicContact CB-CG 4.34Å; I780-R785 HydrophobicContact CG2-CB 4.29Å; I780-R785 HydrophobicContact CG2-CG 3.59Å; I780-R785 VanDerWaalsContact O-CZ 3.23Å; I780-R785 PolarHBondContact O-NH2 3.34Å; I780-R785 VanDerWaalsContact O-NH2 3.16Å; K781-R785 PolarHBondContact O-N 3.34Å; D782-R785 PolarHBondContact O-N 3.44Å; D782-R785 IonicContact OD1-CZ 3.76Å; D782-R785 IonicContact OD1-NE 3.14Å; D782-R785 PolarHBondContact OD1-NE 3.08Å; D782-R785 IonicContact OD1-NH2 3.35Å; D782-R785 PolarHBondContact OD1-NH2 3.29Å; R785-H787 PolarHBondContact O-N 3.23Å; R785-G788 PolarHBondContact O-N 3.41Å; R785-L789 WeakPolarHBondContact O-CG 3.44Å; R785-L789 PolarHBondContact O-N 2.89Å
786I94.4Very high93.4Very high7 Ų731.6 Ų31.64%0.03618%0.183CC..Hα-helixtrans-59.8-36.4-179.965.3154.5000112D784 L789 V790 Y818 L823 L827D784-I786 PolarHBondContact O-N 3.17Å; D784-I786 VanDerWaalsContact O-N 3.12Å; I786-L789 PolarHBondContact O-N 3.41Å; I786-V790 WeakPolarHBondContact O-CB 3.37Å; I786-V790 VanDerWaalsContact O-CG2 3.25Å; I786-V790 WeakPolarHBondContact O-CG2 3.48Å; I786-V790 PolarHBondContact O-N 3.41Å; I786-Y818 HydrophobicContact CG2-CE1 4.48Å; I786-Y818 HydrophobicContact CG2-CE2 4.02Å; I786-L823 HydrophobicContact CD1-CB 4.31Å; I786-L823 HydrophobicContact CD1-CD2 3.39Å; I786-L823 HydrophobicContact CD1-CG 4.42Å; I786-L823 HydrophobicContact CG1-CD2 4.2Å; I786-L827 HydrophobicContact CB-CB 4.38Å; I786-L827 HydrophobicContact CB-CD1 4.34Å; I786-L827 HydrophobicContact CG2-CB 4.08Å; I786-L827 HydrophobicContact CG2-CD1 4.4Å; I786-L827 HydrophobicContact CG2-CD2 4.35Å
787H94.5Very high93.4Very high46 Ų4629.3 Ų29.321%0.21317%0.167CC..Hα-helixtrans-69.6-41.7-178.6-59.4-51.2000110.7R276 L742 L743 D784 R785 A791R276-H787 PolarHBondContact NH1-NE2 3.07Å; L742-H787 HydrophobicContact CD2-CB 4.38Å; L743-H787 HydrophobicContact CD2-CB 4.42Å; D784-H787 WeakPolarHBondContact O-CB 3.33Å; D784-H787 PolarHBondContact O-N 3Å; D784-H787 IonicContact OD1-CD2 3.19Å; R785-H787 PolarHBondContact O-N 3.23Å; H787-A791 VanDerWaalsContact O-CB 3.3Å; H787-A791 WeakPolarHBondContact O-CB 3.26Å; H787-A791 PolarHBondContact O-N 2.95Å
788G96.3Very high93.4Very high1 Ų124.7 Ų24.71%0.0115%0.145CC..Hα-helixtrans-62.4-46.2173.600000112.3D784 R785 A791 C792D784-G788 PolarHBondContact O-N 3.21Å; R785-G788 PolarHBondContact O-N 3.41Å; G788-A791 PolarHBondContact O-N 3.42Å; G788-C792 WeakPolarHBondContact O-CB 3.41Å; G788-C792 PolarHBondContact O-N 3.11Å; G788-C792 PolarHBondContact O-SG 3.39Å
789L97.8Very high93.6Very high0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-62.9-45.5178.4-67.9171.1000112.1L770 C773 L774 R785 I786 A791 C792 S793 T803 I807 L827L770-L789 HydrophobicContact CD2-CD2 3.92Å; C773-L789 HydrophobicContact CB-CD2 4.21Å; C773-L789 HydrophobicContact CB-CG 4.47Å; L774-L789 HydrophobicContact CD1-CD2 4.38Å; L774-L789 HydrophobicContact CD2-CD1 4.03Å; L774-L789 HydrophobicContact CD2-CD2 4.14Å; L774-L789 HydrophobicContact CG-CD2 4.1Å; R785-L789 WeakPolarHBondContact O-CG 3.44Å; R785-L789 PolarHBondContact O-N 2.89Å; I786-L789 PolarHBondContact O-N 3.41Å; L789-A791 VanDerWaalsContact C-N 3.33Å; L789-A791 PolarHBondContact O-N 2.98Å; L789-C792 WeakPolarHBondContact O-CB 3.41Å; L789-C792 PolarHBondContact O-N 3.47Å; L789-S793 PolarHBondContact O-N 3.47Å; L789-S793 VanDerWaalsContact O-N 3.08Å; L789-T803 HydrophobicContact CB-CG2 4.39Å; L789-T803 HydrophobicContact CD2-CG2 4.29Å; L789-T803 WeakPolarHBondContact O-CG2 3.48Å; L789-I807 HydrophobicContact CD1-CD1 4.38Å; L789-I807 HydrophobicContact CD1-CG1 4.19Å; L789-I807 HydrophobicContact CD2-CG1 4.4Å; L789-L827 HydrophobicContact CB-CD1 3.85Å; L789-L827 HydrophobicContact CD1-CD1 3.94Å
790V97.5Very high93.7Very high38 Ų3821.6 Ų21.623%0.2312%0.12CC..Hα-helixtrans-62.4-42.3176.4171.40000110.7I786 S793 S794 L827 V831I786-V790 WeakPolarHBondContact O-CB 3.37Å; I786-V790 VanDerWaalsContact O-CG2 3.25Å; I786-V790 WeakPolarHBondContact O-CG2 3.48Å; I786-V790 PolarHBondContact O-N 3.41Å; V790-S793 PolarHBondContact O-N 3.13Å; V790-S793 PolarHBondContact O-OG 2.75Å; V790-S794 PolarHBondContact O-N 2.8Å; V790-S794 PolarHBondContact O-OG 3.47Å; V790-L827 HydrophobicContact CG2-CD1 4.37Å; V790-V831 HydrophobicContact CG2-CG2 4.31Å
791A96.8Very high93.8Very high13 Ų1322.5 Ų22.511%0.10713%0.125CC..Hα-helixtrans-60.1-47.9176.100000111.9L743 H787 G788 L789 S793 S794 W795L743-A791 HydrophobicContact CD2-CB 4.38Å; H787-A791 VanDerWaalsContact O-CB 3.3Å; H787-A791 WeakPolarHBondContact O-CB 3.26Å; H787-A791 PolarHBondContact O-N 2.95Å; G788-A791 PolarHBondContact O-N 3.42Å; L789-A791 VanDerWaalsContact C-N 3.33Å; L789-A791 PolarHBondContact O-N 2.98Å; A791-S793 PolarHBondContact O-N 3.32Å; A791-S794 WeakPolarHBondContact O-CB 3.43Å; A791-S794 PolarHBondContact O-N 3.46Å; A791-S794 VanDerWaalsContact O-N 3.11Å; A791-W795 VanDerWaalsContact O-CD1 3.27Å
792C97.4Very high94Very high0 Ų021.3 Ų21.30%012%0.123CC..Hα-helixtrans-53.4-40.2174.2-74.80000112.8G746 L766 L770 G788 L789 S794 A799 T803G746-C792 WeakPolarHBondContact O-CA 3.47Å; L766-C792 HydrophobicContact CD1-CB 3.85Å; L770-C792 HydrophobicContact CD2-CB 3.89Å; G788-C792 WeakPolarHBondContact O-CB 3.41Å; G788-C792 PolarHBondContact O-N 3.11Å; G788-C792 PolarHBondContact O-SG 3.39Å; L789-C792 WeakPolarHBondContact O-CB 3.41Å; L789-C792 PolarHBondContact O-N 3.47Å; C792-S794 VanDerWaalsContact C-N 3.27Å; C792-S794 PolarHBondContact O-N 2.94Å; C792-A799 WeakPolarHBondContact O-CB 3.47Å; C792-T803 HydrophobicContact CB-CG2 4.3Å; C792-T803 WeakPolarHBondContact CB-OG1 3.47Å
793S96Very high94.3Very high0 Ų018.6 Ų18.60%011%0.109CC..Hα-helixtrans-74-13.7-177.381.20000114.6L789 V790 A791 R800 G830L789-S793 PolarHBondContact O-N 3.47Å; L789-S793 VanDerWaalsContact O-N 3.08Å; V790-S793 PolarHBondContact O-N 3.13Å; V790-S793 PolarHBondContact O-OG 2.75Å; A791-S793 PolarHBondContact O-N 3.32Å; S793-R800 WeakPolarHBondContact O-CB 3.36Å; S793-R800 PolarHBondContact O-NH2 2.94Å; S793-G830 PolarHBondContact OG-O 3.44Å
794S92.5Very high94.6Very high53 Ų5318.6 Ų18.637%0.37111%0.108SC..THydrogen-bonded Turntrans-87.9-11.3-161.8-69.10000115.3V790 A791 C792V790-S794 PolarHBondContact O-N 2.8Å; V790-S794 PolarHBondContact O-OG 3.47Å; A791-S794 WeakPolarHBondContact O-CB 3.43Å; A791-S794 PolarHBondContact O-N 3.46Å; A791-S794 VanDerWaalsContact O-N 3.11Å; C792-S794 VanDerWaalsContact C-N 3.27Å; C792-S794 PolarHBondContact O-N 2.94Å
795W91.2Very high94.6Very high39 Ų3920.4 Ų20.415%0.14812%0.115CC..SBendtrans-93.9-36.6-166.7-70.991.5000115.5Q626 A676 T711 R715 G746 A747 A791Q626-W795 PolarHBondContact NE2-O 3.26Å; A676-W795 HydrophobicContact CB-CH2 3.59Å; A676-W795 HydrophobicContact CB-CZ3 3.79Å; T711-W795 HydrophobicContact CG2-CH2 3.48Å; T711-W795 VanDerWaalsContact CG2-CH2 3.48Å; T711-W795 HydrophobicContact CG2-CZ2 3.42Å; T711-W795 VanDerWaalsContact CG2-CZ2 3.42Å; R715-W795 VanDerWaalsContact CZ-CE3 3.47Å; R715-W795 VanDerWaalsContact NH1-CE3 3.29Å; G746-W795 PolarHBondContact O-NE1 2.92Å; A747-W795 VanDerWaalsContact CA-NE1 3.33Å; A747-W795 HydrophobicContact CB-CD2 4.3Å; A747-W795 HydrophobicContact CB-CH2 4.28Å; A747-W795 HydrophobicContact CB-CZ2 3.58Å; A791-W795 VanDerWaalsContact O-CD1 3.27Å
796S90.1Very high94.7Very high31 Ų3121.6 Ų21.622%0.21712%0.124CC..  trans-157.7163-177.671.60000111.4A799 R800S796-A799 PolarHBondContact O-N 3.26Å; S796-A799 WeakPolarHBondContact OG-CB 3.22Å; S796-A799 PolarHBondContact OG-N 3.12Å; S796-A799 VanDerWaalsContact OG-N 3.16Å; S796-R800 WeakPolarHBondContact O-CB 3.43Å; S796-R800 PolarHBondContact O-N 2.84Å
797I91Very high94.8Very high24 Ų2421.2 Ų21.212%0.12312%0.122CC..Hα-helixtrans-60.8-45.5174.6-62.1-64.3000111.7Q626 A799 R800 L801Q626-I797 HydrophobicContact CB-CG1 4.08Å; I797-A799 VanDerWaalsContact C-N 3.33Å; I797-A799 PolarHBondContact O-N 3.26Å; I797-R800 PolarHBondContact O-N 3.01Å; I797-L801 HydrophobicContact CG2-CD1 3.93Å; I797-L801 HydrophobicContact CG2-CG 4.3Å; I797-L801 WeakPolarHBondContact O-CG 3.4Å; I797-L801 PolarHBondContact O-N 2.95Å
798P91.9Very high94.9Very high53 Ų5320.6 Ų20.634%0.34412%0.121SC..Hα-helixtrans-56.4-43.7173-28.136.2000113.5E750 R800 L801 A802E750-P798 HydrophobicContact CB-CB 4.11Å; E750-P798 HydrophobicContact CG-CB 3.87Å; P798-R800 PolarHBondContact O-N 3.42Å; P798-L801 PolarHBondContact O-N 3.39Å; P798-A802 WeakPolarHBondContact O-CB 3.42Å; P798-A802 PolarHBondContact O-N 3.42Å
799A93.8Very high94.9Very high1 Ų126 Ų261%0.00815%0.15CC..Hα-helixtrans-64.8-40.1178.900000112.2E750 L766 C792 S796 I797 A802 T803E750-A799 HydrophobicContact CB-CB 4.42Å; L766-A799 VanDerWaalsContact CD2-CA 3.49Å; L766-A799 HydrophobicContact CD2-CB 3.61Å; C792-A799 WeakPolarHBondContact O-CB 3.47Å; S796-A799 PolarHBondContact O-N 3.26Å; S796-A799 WeakPolarHBondContact OG-CB 3.22Å; S796-A799 PolarHBondContact OG-N 3.12Å; S796-A799 VanDerWaalsContact OG-N 3.16Å; I797-A799 VanDerWaalsContact C-N 3.33Å; I797-A799 PolarHBondContact O-N 3.26Å; A799-A802 PolarHBondContact O-N 3.3Å; A799-T803 WeakPolarHBondContact O-CB 3.44Å; A799-T803 PolarHBondContact O-N 3.41Å; A799-T803 PolarHBondContact O-OG1 3.12Å
800R94.9Very high94.7Very high13 Ų1329.6 Ų29.65%0.04917%0.167CC..Hα-helixtrans-62.6-43.8174.1-166.6179.1-65-73.2-9.1112.1S793 S796 I797 P798 T803 W804 G830 V831 F835S793-R800 WeakPolarHBondContact O-CB 3.36Å; S793-R800 PolarHBondContact O-NH2 2.94Å; S796-R800 WeakPolarHBondContact O-CB 3.43Å; S796-R800 PolarHBondContact O-N 2.84Å; I797-R800 PolarHBondContact O-N 3.01Å; P798-R800 PolarHBondContact O-N 3.42Å; R800-T803 PolarHBondContact O-N 3.19Å; R800-W804 WeakPolarHBondContact O-CB 3.44Å; R800-W804 PolarHBondContact O-N 3.36Å; R800-G830 PolarHBondContact NH1-O 3.26Å; R800-V831 VanDerWaalsContact CD-O 3.32Å; R800-V831 WeakPolarHBondContact CD-O 3.47Å; R800-V831 WeakPolarHBondContact CG-O 3.49Å; R800-V831 PolarHBondContact NH1-O 3.26Å; R800-F835 HydrophobicContact CB-CE1 4.26Å; R800-F835 HydrophobicContact CB-CZ 4.1Å; R800-F835 HydrophobicContact CG-CD2 4.45Å; R800-F835 HydrophobicContact CG-CE1 3.9Å; R800-F835 HydrophobicContact CG-CE2 3.72Å; R800-F835 HydrophobicContact CG-CZ 3.42Å; R800-F835 VanDerWaalsContact CG-CZ 3.42Å
801L94.2Very high94.7Very high21 Ų2128.7 Ų28.711%0.1116%0.159CC..Hα-helixtrans-63.6-46177-72.1169.9000111.9L756 I797 P798 W804 K805 F835L756-L801 HydrophobicContact CD1-CD2 3.5Å; L756-L801 HydrophobicContact CG-CD2 3.98Å; I797-L801 HydrophobicContact CG2-CD1 3.93Å; I797-L801 HydrophobicContact CG2-CG 4.3Å; I797-L801 WeakPolarHBondContact O-CG 3.4Å; I797-L801 PolarHBondContact O-N 2.95Å; P798-L801 PolarHBondContact O-N 3.39Å; L801-W804 PolarHBondContact O-N 2.96Å; L801-K805 VanDerWaalsContact O-CB 3.31Å; L801-K805 WeakPolarHBondContact O-CB 3.45Å; L801-K805 PolarHBondContact O-N 3.48Å; L801-F835 HydrophobicContact CD2-CE1 3.61Å; L801-F835 HydrophobicContact CD2-CZ 3.9Å; L801-F835 HydrophobicContact CG-CE1 3.96Å; L801-F835 HydrophobicContact CG-CZ 4.37Å
802A94.6Very high94.6Very high18 Ų1833 Ų3315%0.14919%0.188CC..Hα-helixtrans-61.2-45.3177.200000111.3E750 L766 L770 P798 A799 K805 S806E750-A802 HydrophobicContact CG-CB 4.44Å; E750-A802 VanDerWaalsContact OE2-CB 3.31Å; E750-A802 WeakPolarHBondContact OE2-CB 3.34Å; L766-A802 HydrophobicContact CD2-CB 3.99Å; L770-A802 HydrophobicContact CD1-CB 4.21Å; P798-A802 WeakPolarHBondContact O-CB 3.42Å; P798-A802 PolarHBondContact O-N 3.42Å; A799-A802 PolarHBondContact O-N 3.3Å; A802-K805 PolarHBondContact O-N 2.82Å; A802-S806 PolarHBondContact O-N 2.87Å; A802-S806 PolarHBondContact O-OG 3.33Å; A802-S806 VanDerWaalsContact O-OG 3.12Å
803T96.6Very high94.4Very high0 Ų034.9 Ų34.90%020%0.196CC..Hα-helixtrans-61.4-49.2176.9-55.50000111.5L770 L789 C792 A799 R800 K805 S806 I807 V831L770-T803 HydrophobicContact CD2-CG2 3.95Å; L789-T803 HydrophobicContact CB-CG2 4.39Å; L789-T803 HydrophobicContact CD2-CG2 4.29Å; L789-T803 WeakPolarHBondContact O-CG2 3.48Å; C792-T803 HydrophobicContact CB-CG2 4.3Å; C792-T803 WeakPolarHBondContact CB-OG1 3.47Å; A799-T803 WeakPolarHBondContact O-CB 3.44Å; A799-T803 PolarHBondContact O-N 3.41Å; A799-T803 PolarHBondContact O-OG1 3.12Å; R800-T803 PolarHBondContact O-N 3.19Å; T803-K805 VanDerWaalsContact C-N 3.33Å; T803-K805 PolarHBondContact O-N 3.18Å; T803-S806 PolarHBondContact O-N 2.98Å; T803-I807 HydrophobicContact CG2-CD1 4.07Å; T803-I807 WeakPolarHBondContact O-CG1 3.31Å; T803-I807 PolarHBondContact O-N 3.23Å; T803-V831 HydrophobicContact CG2-CG1 4.47Å; T803-V831 HydrophobicContact CG2-CG2 4.38Å
804W96.8Very high94.3Very high7 Ų734.9 Ų34.93%0.02720%0.196CC..Hα-helixtrans-60.9-43.8179.2177.3-128.1000111.6R800 L801 S806 I807 T808 W811 L828 V831 L832 F847 F848R800-W804 WeakPolarHBondContact O-CB 3.44Å; R800-W804 PolarHBondContact O-N 3.36Å; L801-W804 PolarHBondContact O-N 2.96Å; W804-S806 VanDerWaalsContact C-N 3.35Å; W804-S806 PolarHBondContact O-N 3.5Å; W804-I807 HydrophobicContact CE3-CB 4.12Å; W804-I807 HydrophobicContact CE3-CD1 4.46Å; W804-I807 HydrophobicContact CE3-CG2 4.06Å; W804-I807 HydrophobicContact CZ3-CB 4.35Å; W804-I807 HydrophobicContact CZ3-CG2 3.78Å; W804-I807 WeakPolarHBondContact O-CB 3.27Å; W804-I807 PolarHBondContact O-N 3.46Å; W804-I807 VanDerWaalsContact O-N 3.17Å; W804-T808 HydrophobicContact CD2-CG2 3.83Å; W804-T808 VanDerWaalsContact CE2-CG2 3.43Å; W804-T808 HydrophobicContact CE3-CG2 4.12Å; W804-T808 HydrophobicContact CH2-CG2 3.73Å; W804-T808 HydrophobicContact CZ2-CG2 3.4Å; W804-T808 HydrophobicContact CZ3-CG2 4.08Å; W804-T808 WeakPolarHBondContact O-CG2 3.34Å; W804-T808 PolarHBondContact O-N 2.93Å; W804-T808 PolarHBondContact O-OG1 3.3Å; W804-W811 HydrophobicContact CH2-CZ3 4.27Å; W804-W811 HydrophobicContact CZ3-CZ3 4.3Å; W804-L828 HydrophobicContact CZ3-CD2 4.27Å; W804-V831 HydrophobicContact CB-CG1 4.16Å; W804-V831 HydrophobicContact CE3-CG1 4.3Å; W804-L832 HydrophobicContact CD2-CD2 3.62Å; W804-L832 HydrophobicContact CE3-CD2 3.71Å; W804-L832 HydrophobicContact CG-CD2 4.1Å; W804-L832 HydrophobicContact CH2-CD1 4.37Å; W804-L832 HydrophobicContact CH2-CD2 4.29Å; W804-L832 HydrophobicContact CZ2-CD2 4.19Å; W804-L832 HydrophobicContact CZ3-CD1 4.43Å; W804-L832 HydrophobicContact CZ3-CD2 4.06Å; W804-F847 AromaticContact CH2-CD1 3.85Å; W804-F847 HydrophobicContact CH2-CD1 3.85Å; W804-F847 AromaticContact CH2-CE1 3.78Å; W804-F847 HydrophobicContact CH2-CE1 3.78Å; W804-F847 AromaticContact CZ2-CD1 3.61Å; W804-F847 HydrophobicContact CZ2-CD1 3.61Å; W804-F847 AromaticContact CZ2-CE1 3.95Å; W804-F847 HydrophobicContact CZ2-CE1 3.95Å; W804-F847 HydrophobicContact CZ2-CG 4.05Å; W804-F848 HydrophobicContact CH2-CE2 4.11Å; W804-F848 AromaticContact CH2-CZ 3.86Å; W804-F848 HydrophobicContact CH2-CZ 3.86Å; W804-F848 HydrophobicContact CZ2-CE2 4.31Å; W804-F848 HydrophobicContact CZ2-CZ 4.49Å
805K94.9Very high94.4Very high59 Ų5934.4 Ų34.426%0.25719%0.189SC..Hα-helixtrans-57.6-46.8175.4-175.8173.3179.2164.50111.8L756 N758 L801 A802 T803 I807 T808 N809L756-K805 HydrophobicContact CD2-CB 4.25Å; L756-K805 WeakPolarHBondContact O-CE 3.37Å; L756-K805 PolarHBondContact O-NZ 3.02Å; N758-K805 PolarHBondContact O-NZ 2.82Å; L801-K805 VanDerWaalsContact O-CB 3.31Å; L801-K805 WeakPolarHBondContact O-CB 3.45Å; L801-K805 PolarHBondContact O-N 3.48Å; A802-K805 PolarHBondContact O-N 2.82Å; T803-K805 VanDerWaalsContact C-N 3.33Å; T803-K805 PolarHBondContact O-N 3.18Å; K805-I807 VanDerWaalsContact C-N 3.3Å; K805-I807 PolarHBondContact O-N 3.12Å; K805-T808 WeakPolarHBondContact CA-OG1 3.41Å; K805-T808 PolarHBondContact O-N 2.87Å; K805-T808 PolarHBondContact O-OG1 3.15Å; K805-N809 PolarHBondContact O-N 3.49Å; K805-N809 PolarHBondContact O-ND2 3.17Å; K805-N809 PolarHBondContact O-OD1 3.49Å
806S95.7Very high94.3Very high29 Ų2939.2 Ų39.220%0.20321%0.213CC..Hα-helixtrans-62.3-37177.7-63.20000112.6A802 T803 W804 E810A802-S806 PolarHBondContact O-N 2.87Å; A802-S806 PolarHBondContact O-OG 3.33Å; A802-S806 VanDerWaalsContact O-OG 3.12Å; T803-S806 PolarHBondContact O-N 2.98Å; W804-S806 VanDerWaalsContact C-N 3.35Å; W804-S806 PolarHBondContact O-N 3.5Å; S806-E810 PolarHBondContact O-N 3.48Å
807I96.7Very high94.2Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-64.3-47.2173-69.3165.2000110.8L789 T803 W804 K805 N809 E810 W811 L827 V831L789-I807 HydrophobicContact CD1-CD1 4.38Å; L789-I807 HydrophobicContact CD1-CG1 4.19Å; L789-I807 HydrophobicContact CD2-CG1 4.4Å; T803-I807 HydrophobicContact CG2-CD1 4.07Å; T803-I807 WeakPolarHBondContact O-CG1 3.31Å; T803-I807 PolarHBondContact O-N 3.23Å; W804-I807 HydrophobicContact CE3-CB 4.12Å; W804-I807 HydrophobicContact CE3-CD1 4.46Å; W804-I807 HydrophobicContact CE3-CG2 4.06Å; W804-I807 HydrophobicContact CZ3-CB 4.35Å; W804-I807 HydrophobicContact CZ3-CG2 3.78Å; W804-I807 WeakPolarHBondContact O-CB 3.27Å; W804-I807 PolarHBondContact O-N 3.46Å; W804-I807 VanDerWaalsContact O-N 3.17Å; K805-I807 VanDerWaalsContact C-N 3.3Å; K805-I807 PolarHBondContact O-N 3.12Å; I807-N809 VanDerWaalsContact C-N 3.28Å; I807-N809 PolarHBondContact O-N 3.05Å; I807-E810 CarbonylContact O-C 3.57Å; I807-E810 PolarHBondContact O-N 3.31Å; I807-E810 VanDerWaalsContact O-N 3.12Å; I807-W811 HydrophobicContact CG2-CE3 3.98Å; I807-W811 HydrophobicContact CG2-CZ3 4.02Å; I807-W811 WeakPolarHBondContact O-CA 3.22Å; I807-W811 PolarHBondContact O-N 3.29Å; I807-W811 VanDerWaalsContact O-N 3.1Å; I807-L827 HydrophobicContact CD1-CD1 4.06Å; I807-L827 HydrophobicContact CD1-CG 4.5Å; I807-V831 HydrophobicContact CD1-CB 4.4Å; I807-V831 HydrophobicContact CD1-CG1 4.1Å; I807-V831 HydrophobicContact CD1-CG2 3.83Å
808T96.6Very high94.1Very high32 Ų3238.7 Ų38.720%0.19621%0.208CC..Hα-helixtrans-66-29.5-179.556.20000113.2W804 K805 E810 W811 F847W804-T808 HydrophobicContact CD2-CG2 3.83Å; W804-T808 VanDerWaalsContact CE2-CG2 3.43Å; W804-T808 HydrophobicContact CE3-CG2 4.12Å; W804-T808 HydrophobicContact CH2-CG2 3.73Å; W804-T808 HydrophobicContact CZ2-CG2 3.4Å; W804-T808 HydrophobicContact CZ3-CG2 4.08Å; W804-T808 WeakPolarHBondContact O-CG2 3.34Å; W804-T808 PolarHBondContact O-N 2.93Å; W804-T808 PolarHBondContact O-OG1 3.3Å; K805-T808 WeakPolarHBondContact CA-OG1 3.41Å; K805-T808 PolarHBondContact O-N 2.87Å; K805-T808 PolarHBondContact O-OG1 3.15Å; T808-E810 VanDerWaalsContact C-N 3.27Å; T808-E810 PolarHBondContact O-N 2.83Å; T808-W811 WeakPolarHBondContact O-CB 3.09Å; T808-W811 PolarHBondContact O-N 3Å; T808-F847 HydrophobicContact CG2-CD1 4.41Å; T808-F847 HydrophobicContact CG2-CD2 3.91Å; T808-F847 HydrophobicContact CG2-CE1 4.07Å; T808-F847 HydrophobicContact CG2-CE2 3.53Å; T808-F847 HydrophobicContact CG2-CG 4.33Å; T808-F847 HydrophobicContact CG2-CZ 3.62Å
809N95.7Very high93.7Very high114 Ų11438.6 Ų38.661%0.6121%0.208SC*.Hα-helixtrans-68.2-28.8174.6-70.2-16.8000112.4K805 I807K805-N809 PolarHBondContact O-N 3.49Å; K805-N809 PolarHBondContact O-ND2 3.17Å; K805-N809 PolarHBondContact O-OD1 3.49Å; I807-N809 VanDerWaalsContact C-N 3.28Å; I807-N809 PolarHBondContact O-N 3.05Å
810E95Very high93Very high76 Ų7640.2 Ų40.236%0.35523%0.225SC..THydrogen-bonded Turntrans-105.917.1-178.6-69.5-72.6136.500112L774 S806 I807 T808 S812 R813 I814L774-E810 HydrophobicContact CD1-CG 4.42Å; S806-E810 PolarHBondContact O-N 3.48Å; I807-E810 CarbonylContact O-C 3.57Å; I807-E810 PolarHBondContact O-N 3.31Å; I807-E810 VanDerWaalsContact O-N 3.12Å; T808-E810 VanDerWaalsContact C-N 3.27Å; T808-E810 PolarHBondContact O-N 2.83Å; E810-S812 PolarHBondContact O-N 2.98Å; E810-R813 PolarHBondContact O-N 3.44Å; E810-R813 IonicContact OE2-CZ 3.75Å; E810-R813 IonicContact OE2-NE 3.46Å; E810-R813 PolarHBondContact OE2-NE 3.22Å; E810-R813 IonicContact OE2-NH2 2.7Å; E810-R813 PolarHBondContact OE2-NH2 3.47Å; E810-I814 HydrophobicContact CB-CG1 4.43Å; E810-I814 PolarHBondContact O-N 3.28Å
811W96Very high92.3Very high19 Ų1940.6 Ų40.67%0.07223%0.227CC..Hα-helixtrans-56.5-45.3-164.6-174.4-115.6000113.8W804 I807 T808 R813 I814 I815 L828 F847 F848 V853W804-W811 HydrophobicContact CH2-CZ3 4.27Å; W804-W811 HydrophobicContact CZ3-CZ3 4.3Å; I807-W811 HydrophobicContact CG2-CE3 3.98Å; I807-W811 HydrophobicContact CG2-CZ3 4.02Å; I807-W811 WeakPolarHBondContact O-CA 3.22Å; I807-W811 PolarHBondContact O-N 3.29Å; I807-W811 VanDerWaalsContact O-N 3.1Å; T808-W811 WeakPolarHBondContact O-CB 3.09Å; T808-W811 PolarHBondContact O-N 3Å; W811-R813 VanDerWaalsContact C-N 3.25Å; W811-R813 PolarHBondContact O-N 2.87Å; W811-I814 HydrophobicContact CE3-CG2 4.43Å; W811-I814 HydrophobicContact CZ3-CG2 4.4Å; W811-I814 PolarHBondContact O-N 3.35Å; W811-I814 VanDerWaalsContact O-N 3.16Å; W811-I815 HydrophobicContact CD2-CG1 4.05Å; W811-I815 HydrophobicContact CG-CG1 4.39Å; W811-I815 HydrophobicContact CH2-CD1 4.05Å; W811-I815 HydrophobicContact CZ2-CD1 3.62Å; W811-I815 HydrophobicContact CZ2-CG1 3.96Å; W811-I815 WeakPolarHBondContact O-CG1 3.34Å; W811-I815 PolarHBondContact O-N 2.98Å; W811-L828 HydrophobicContact CH2-CD1 4.49Å; W811-L828 HydrophobicContact CH2-CD2 3.94Å; W811-L828 HydrophobicContact CZ3-CD2 4.01Å; W811-F847 HydrophobicContact CB-CZ 4.17Å; W811-F847 AromaticContact CD1-CZ 3.93Å; W811-F847 AromaticContact CD2-CE1 3.81Å; W811-F847 HydrophobicContact CD2-CE1 3.81Å; W811-F847 AromaticContact CD2-CZ 3.6Å; W811-F847 HydrophobicContact CD2-CZ 3.6Å; W811-F847 AromaticContact CE2-CE1 3.69Å; W811-F847 AromaticContact CE2-CZ 3.84Å; W811-F847 HydrophobicContact CE3-CE1 4.08Å; W811-F847 HydrophobicContact CE3-CZ 4.05Å; W811-F847 HydrophobicContact CG-CE1 4.32Å; W811-F847 AromaticContact CG-CZ 3.65Å; W811-F847 HydrophobicContact CG-CZ 3.65Å; W811-F847 HydrophobicContact CH2-CE1 4.13Å; W811-F847 AromaticContact CZ2-CE1 3.84Å; W811-F847 HydrophobicContact CZ2-CE1 3.84Å; W811-F847 HydrophobicContact CZ2-CZ 4.44Å; W811-F847 HydrophobicContact CZ3-CE1 4.24Å; W811-F848 AromaticContact CH2-CE1 3.69Å; W811-F848 HydrophobicContact CH2-CE1 3.69Å; W811-F848 HydrophobicContact CH2-CZ 4.21Å; W811-F848 HydrophobicContact CZ2-CD1 4.46Å; W811-F848 AromaticContact CZ2-CE1 3.85Å; W811-F848 HydrophobicContact CZ2-CE1 3.85Å; W811-V853 HydrophobicContact CH2-CG1 4.04Å; W811-V853 HydrophobicContact CZ2-CG1 3.49Å; W811-V853 VanDerWaalsContact CZ2-CG1 3.49Å
812S95.4Very high91.7Very high103 Ų10342.2 Ų42.272%0.7223%0.233SC*.Hα-helixtrans-56.2-41179.5-55.30000112.2E810 E816E810-S812 PolarHBondContact O-N 2.98Å; S812-E816 WeakPolarHBondContact O-CB 3.28Å; S812-E816 PolarHBondContact O-N 2.97Å
813R93.7Very high91.4Very high41 Ų4141.5 Ų41.516%0.15523%0.227CC..Hα-helixtrans-73.6-39.7178.9-173.617561.294.33.5111.9L774 E810 W811 I815 E816 L817L774-R813 VanDerWaalsContact O-CZ 3.24Å; L774-R813 PolarHBondContact O-NH1 3.22Å; L774-R813 PolarHBondContact O-NH2 3.28Å; E810-R813 PolarHBondContact O-N 3.44Å; E810-R813 IonicContact OE2-CZ 3.75Å; E810-R813 IonicContact OE2-NE 3.46Å; E810-R813 PolarHBondContact OE2-NE 3.22Å; E810-R813 IonicContact OE2-NH2 2.7Å; E810-R813 PolarHBondContact OE2-NH2 3.47Å; W811-R813 VanDerWaalsContact C-N 3.25Å; W811-R813 PolarHBondContact O-N 2.87Å; R813-I815 VanDerWaalsContact C-N 3.29Å; R813-I815 PolarHBondContact O-N 3.28Å; R813-E816 PolarHBondContact O-N 3.38Å; R813-L817 HydrophobicContact CG-CD1 4.13Å; R813-L817 HydrophobicContact CG-CG 4.47Å; R813-L817 WeakPolarHBondContact O-CB 3.37Å; R813-L817 VanDerWaalsContact O-CG 3.31Å; R813-L817 WeakPolarHBondContact O-CG 3.42Å; R813-L817 PolarHBondContact O-N 3.49Å
814I94.2Very high91.2Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-59.6-42.2175.4-68-66.7000110.8L774 E810 W811 Y818 L824 L827L774-I814 HydrophobicContact CD2-CD1 4.21Å; E810-I814 HydrophobicContact CB-CG1 4.43Å; E810-I814 PolarHBondContact O-N 3.28Å; W811-I814 HydrophobicContact CE3-CG2 4.43Å; W811-I814 HydrophobicContact CZ3-CG2 4.4Å; W811-I814 PolarHBondContact O-N 3.35Å; W811-I814 VanDerWaalsContact O-N 3.16Å; I814-Y818 HydrophobicContact CD1-CE2 4.01Å; I814-Y818 HydrophobicContact CG2-CD2 4.04Å; I814-Y818 HydrophobicContact CG2-CE2 4.47Å; I814-Y818 WeakPolarHBondContact O-CD2 3.31Å; I814-Y818 PolarHBondContact O-N 2.85Å; I814-L824 HydrophobicContact CG2-CD1 4.29Å; I814-L827 HydrophobicContact CG2-CD2 4Å
815I93.3Very high90.9Very high43 Ų4342.1 Ų42.122%0.22123%0.232CC..Hα-helixtrans-68.5-42.5176.3-68.4-59.2000111.6W811 R813 L817 S819 L824 V853W811-I815 HydrophobicContact CD2-CG1 4.05Å; W811-I815 HydrophobicContact CG-CG1 4.39Å; W811-I815 HydrophobicContact CH2-CD1 4.05Å; W811-I815 HydrophobicContact CZ2-CD1 3.62Å; W811-I815 HydrophobicContact CZ2-CG1 3.96Å; W811-I815 WeakPolarHBondContact O-CG1 3.34Å; W811-I815 PolarHBondContact O-N 2.98Å; R813-I815 VanDerWaalsContact C-N 3.29Å; R813-I815 PolarHBondContact O-N 3.28Å; I815-L817 VanDerWaalsContact C-N 3.27Å; I815-L817 PolarHBondContact O-N 3.43Å; I815-S819 WeakPolarHBondContact O-CB 3.46Å; I815-S819 PolarHBondContact O-N 3.34Å; I815-L824 HydrophobicContact CD1-CD1 4.28Å; I815-L824 HydrophobicContact CD1-CD2 3.84Å; I815-V853 HydrophobicContact CD1-CG1 3.91Å
816E89.9Confident90.7Very high140 Ų14042.1 Ų42.165%0.65424%0.24SC*.Hα-helixtrans-57.3-42176.3-176.8175.9-169.100112.4S812 R813S812-E816 WeakPolarHBondContact O-CB 3.28Å; S812-E816 PolarHBondContact O-N 2.97Å; R813-E816 PolarHBondContact O-N 3.38Å
817L87Confident90.7Very high43 Ų4340.8 Ų40.823%0.22523%0.23CC..Hα-helixtrans-73.5-44-178.4-71.4173.1000113.5R813 I815 Q821R813-L817 HydrophobicContact CG-CD1 4.13Å; R813-L817 HydrophobicContact CG-CG 4.47Å; R813-L817 WeakPolarHBondContact O-CB 3.37Å; R813-L817 VanDerWaalsContact O-CG 3.31Å; R813-L817 WeakPolarHBondContact O-CG 3.42Å; R813-L817 PolarHBondContact O-N 3.49Å; I815-L817 VanDerWaalsContact C-N 3.27Å; I815-L817 PolarHBondContact O-N 3.43Å; L817-Q821 PolarHBondContact O-NE2 2.69Å
818Y88.7Confident90.7Very high1 Ų140.9 Ų40.90%0.00423%0.23CC..Hα-helixtrans-117-4.9-165.7-52.3-52.6000115.5D782 I786 I814 G820 Q821 L823D782-Y818 HydrophobicContact CB-CE1 4.37Å; D782-Y818 PolarHBondContact O-OH 3.35Å; I786-Y818 HydrophobicContact CG2-CE1 4.48Å; I786-Y818 HydrophobicContact CG2-CE2 4.02Å; I814-Y818 HydrophobicContact CD1-CE2 4.01Å; I814-Y818 HydrophobicContact CG2-CD2 4.04Å; I814-Y818 HydrophobicContact CG2-CE2 4.47Å; I814-Y818 WeakPolarHBondContact O-CD2 3.31Å; I814-Y818 PolarHBondContact O-N 2.85Å; Y818-G820 PolarHBondContact O-N 2.87Å; Y818-Q821 WeakPolarHBondContact O-CB 3.37Å; Y818-Q821 PolarHBondContact O-N 3.42Å; Y818-L823 HydrophobicContact CD1-CB 3.84Å; Y818-L823 HydrophobicContact CD1-CD1 3.76Å; Y818-L823 HydrophobicContact CD1-CG 4.46Å; Y818-L823 HydrophobicContact CE1-CB 4.42Å; Y818-L823 HydrophobicContact CE1-CD1 3.86Å; Y818-L823 HydrophobicContact CG-CB 4.23Å
819S84.5Confident90.5Very high51 Ų5143.7 Ų43.736%0.35724%0.241SC..THydrogen-bonded Turntrans-58.7133.3177.6-173.60000111I815 Q821I815-S819 WeakPolarHBondContact O-CB 3.46Å; I815-S819 PolarHBondContact O-N 3.34Å; S819-Q821 VanDerWaalsContact C-N 3.26Å; S819-Q821 PolarHBondContact O-N 3.43Å
820G78.3Confident90.5Very high35 Ų3539.6 Ų39.636%0.36123%0.226SC..THydrogen-bonded Turntrans79.4-6-174.300000115.4N379 Y818 C854N379-G820 PolarHBondContact ND2-O 3.45Å; Y818-G820 PolarHBondContact O-N 2.87Å; G820-C854 PolarHBondContact N-SG 3.4Å
821Q81.6Confident90.6Very high20 Ų2036 Ų369%0.09321%0.209CC..SBendtrans-104.5153179-61170.940.300111.5L817 Y818 S819 L823 L824 P825L817-Q821 PolarHBondContact O-NE2 2.69Å; Y818-Q821 WeakPolarHBondContact O-CB 3.37Å; Y818-Q821 PolarHBondContact O-N 3.42Å; S819-Q821 VanDerWaalsContact C-N 3.26Å; S819-Q821 PolarHBondContact O-N 3.43Å; Q821-L823 PolarHBondContact O-N 2.85Å; Q821-L823 VanDerWaalsContact O-N 3.12Å; Q821-L824 PolarHBondContact O-N 2.83Å; Q821-P825 WeakPolarHBondContact O-CD 3.25Å
822F81Confident90.6Very high55 Ų5535.1 Ų35.124%0.24121%0.206CC..THydrogen-bonded Turntrans-64.6-13.1176.758.4-86000113.5C263 P825 S826C263-F822 VanDerWaalsContact CA-CZ 3.43Å; C263-F822 HydrophobicContact CB-CE1 3.46Å; C263-F822 VanDerWaalsContact CB-CE1 3.46Å; C263-F822 HydrophobicContact CB-CZ 3.32Å; C263-F822 WeakPolarHBondContact O-CE2 3.38Å; C263-F822 WeakPolarHBondContact O-CZ 3.22Å; F822-P825 WeakPolarHBondContact O-CD 3.27Å; F822-S826 PolarHBondContact O-N 2.97Å; F822-S826 PolarHBondContact O-OG 2.92Å
823L88.2Confident90.5Very high3 Ų330.8 Ų30.82%0.01618%0.175CC..Hα-helixtrans-67.4-35.1175.8-64.8175.6000112.9M105 I786 Y818 Q821 L827M105-L823 HydrophobicContact CE-CD1 3.93Å; I786-L823 HydrophobicContact CD1-CB 4.31Å; I786-L823 HydrophobicContact CD1-CD2 3.39Å; I786-L823 HydrophobicContact CD1-CG 4.42Å; I786-L823 HydrophobicContact CG1-CD2 4.2Å; Y818-L823 HydrophobicContact CD1-CB 3.84Å; Y818-L823 HydrophobicContact CD1-CD1 3.76Å; Y818-L823 HydrophobicContact CD1-CG 4.46Å; Y818-L823 HydrophobicContact CE1-CB 4.42Å; Y818-L823 HydrophobicContact CE1-CD1 3.86Å; Y818-L823 HydrophobicContact CG-CB 4.23Å; Q821-L823 PolarHBondContact O-N 2.85Å; Q821-L823 VanDerWaalsContact O-N 3.12Å; L823-L827 WeakPolarHBondContact O-CB 3.35Å; L823-L827 PolarHBondContact O-N 3.34Å
824L91.2Very high90.4Very high1 Ų129 Ų291%0.00517%0.169CC..Hα-helixtrans-67.3-52.6180178.264.7000111.8I814 I815 Q821 S826 L827 L828I814-L824 HydrophobicContact CG2-CD1 4.29Å; I815-L824 HydrophobicContact CD1-CD1 4.28Å; I815-L824 HydrophobicContact CD1-CD2 3.84Å; Q821-L824 PolarHBondContact O-N 2.83Å; L824-S826 VanDerWaalsContact C-N 3.28Å; L824-S826 PolarHBondContact O-N 3.45Å; L824-L827 PolarHBondContact O-N 3.43Å; L824-L828 HydrophobicContact CD1-CD1 4.1Å; L824-L828 HydrophobicContact CD1-CD2 4.31Å; L824-L828 HydrophobicContact CD1-CG 4.01Å; L824-L828 HydrophobicContact CG-CD1 4.2Å; L824-L828 HydrophobicContact CG-CG 4.42Å; L824-L828 WeakPolarHBondContact O-CG 3.4Å; L824-L828 PolarHBondContact O-N 2.84Å
825P91.3Very high90.4Very high20 Ų2029 Ų2913%0.1317%0.17CC..Hα-helixtrans-47.2-50.4170.8-3034.4000113.2Q821 F822 L827 L828 E829 C855 T858Q821-P825 WeakPolarHBondContact O-CD 3.25Å; F822-P825 WeakPolarHBondContact O-CD 3.27Å; P825-L827 VanDerWaalsContact C-N 3.35Å; P825-L827 PolarHBondContact O-N 2.89Å; P825-L828 PolarHBondContact O-N 3.22Å; P825-E829 WeakPolarHBondContact O-CB 3.41Å; P825-E829 PolarHBondContact O-N 3.15Å; P825-C855 HydrophobicContact CG-CB 3.74Å; P825-T858 HydrophobicContact CB-CG2 4.01Å
826S90.8Very high90.3Very high59 Ų5927.2 Ų27.241%0.41316%0.161SC..Hα-helixtrans-60.6-41.8-178-59.90000112.6F822 L824 G830F822-S826 PolarHBondContact O-N 2.97Å; F822-S826 PolarHBondContact O-OG 2.92Å; L824-S826 VanDerWaalsContact C-N 3.28Å; L824-S826 PolarHBondContact O-N 3.45Å; S826-G830 PolarHBondContact O-N 3.39Å; S826-G830 VanDerWaalsContact O-N 3.08Å
827L95.2Very high90.3Very high0 Ų022.4 Ų22.40%014%0.141CC..Hα-helixtrans-64-49176.5174.962.8000111.3I786 L789 V790 I807 I814 L823 L824 P825 G830 V831I786-L827 HydrophobicContact CB-CB 4.38Å; I786-L827 HydrophobicContact CB-CD1 4.34Å; I786-L827 HydrophobicContact CG2-CB 4.08Å; I786-L827 HydrophobicContact CG2-CD1 4.4Å; I786-L827 HydrophobicContact CG2-CD2 4.35Å; L789-L827 HydrophobicContact CB-CD1 3.85Å; L789-L827 HydrophobicContact CD1-CD1 3.94Å; V790-L827 HydrophobicContact CG2-CD1 4.37Å; I807-L827 HydrophobicContact CD1-CD1 4.06Å; I807-L827 HydrophobicContact CD1-CG 4.5Å; I814-L827 HydrophobicContact CG2-CD2 4Å; L823-L827 WeakPolarHBondContact O-CB 3.35Å; L823-L827 PolarHBondContact O-N 3.34Å; L824-L827 PolarHBondContact O-N 3.43Å; P825-L827 VanDerWaalsContact C-N 3.35Å; P825-L827 PolarHBondContact O-N 2.89Å; L827-G830 PolarHBondContact O-N 3.12Å; L827-V831 HydrophobicContact CD1-CG2 3.97Å; L827-V831 WeakPolarHBondContact O-CB 3.38Å; L827-V831 WeakPolarHBondContact O-CG2 3.47Å; L827-V831 PolarHBondContact O-N 3.12Å; L827-V831 VanDerWaalsContact O-N 3.09Å
828L96.2Very high90.5Very high2 Ų227.6 Ų27.61%0.0116%0.162CC..Hα-helixtrans-64.8-45.4-176.8-64-174.5000111.2W804 W811 L824 P825 V831 L832 F848 I862W804-L828 HydrophobicContact CZ3-CD2 4.27Å; W811-L828 HydrophobicContact CH2-CD1 4.49Å; W811-L828 HydrophobicContact CH2-CD2 3.94Å; W811-L828 HydrophobicContact CZ3-CD2 4.01Å; L824-L828 HydrophobicContact CD1-CD1 4.1Å; L824-L828 HydrophobicContact CD1-CD2 4.31Å; L824-L828 HydrophobicContact CD1-CG 4.01Å; L824-L828 HydrophobicContact CG-CD1 4.2Å; L824-L828 HydrophobicContact CG-CG 4.42Å; L824-L828 WeakPolarHBondContact O-CG 3.4Å; L824-L828 PolarHBondContact O-N 2.84Å; P825-L828 PolarHBondContact O-N 3.22Å; L828-V831 PolarHBondContact O-N 2.69Å; L828-L832 HydrophobicContact CB-CD1 4.36Å; L828-L832 HydrophobicContact CD2-CD1 4.46Å; L828-L832 WeakPolarHBondContact O-CB 3.12Å; L828-L832 VanDerWaalsContact O-CG 3.27Å; L828-L832 WeakPolarHBondContact O-CG 3.49Å; L828-L832 PolarHBondContact O-N 2.78Å; L828-F848 HydrophobicContact CD1-CE1 4.09Å; L828-F848 HydrophobicContact CD1-CZ 4.02Å; L828-F848 HydrophobicContact CD2-CZ 4.09Å; L828-I862 HydrophobicContact CB-CD1 3.82Å
829E94.3Very high90.6Very high92 Ų9231.4 Ų31.443%0.4319%0.189SC..Hα-helixtrans-61.8-48.5177.9-169.2-171.9168.900111.3P825 V831 S833 T858P825-E829 WeakPolarHBondContact O-CB 3.41Å; P825-E829 PolarHBondContact O-N 3.15Å; E829-V831 VanDerWaalsContact C-N 3.31Å; E829-V831 PolarHBondContact O-N 3.31Å; E829-S833 WeakPolarHBondContact O-CB 3.44Å; E829-S833 PolarHBondContact O-N 3.44Å; E829-S833 VanDerWaalsContact O-N 3.12Å; E829-S833 PolarHBondContact O-OG 3.14Å; E829-T858 HydrophobicContact CB-CG2 4.4Å
830G94.6Very high91Very high27 Ų2730.6 Ų30.628%0.27818%0.179SC..Hα-helixtrans-61.7-37.5-178.200000113.5S793 R800 S826 L827S793-G830 PolarHBondContact OG-O 3.44Å; R800-G830 PolarHBondContact NH1-O 3.26Å; S826-G830 PolarHBondContact O-N 3.39Å; S826-G830 VanDerWaalsContact O-N 3.08Å; L827-G830 PolarHBondContact O-N 3.12Å
831V96.9Very high91.7Very high1 Ų129.7 Ų29.71%0.00617%0.166CC..Hα-helixtrans-84.3-39.2-177.9176.10000112.3V790 R800 T803 W804 I807 L827 L828 E829V790-V831 HydrophobicContact CG2-CG2 4.31Å; R800-V831 VanDerWaalsContact CD-O 3.32Å; R800-V831 WeakPolarHBondContact CD-O 3.47Å; R800-V831 WeakPolarHBondContact CG-O 3.49Å; R800-V831 PolarHBondContact NH1-O 3.26Å; T803-V831 HydrophobicContact CG2-CG1 4.47Å; T803-V831 HydrophobicContact CG2-CG2 4.38Å; W804-V831 HydrophobicContact CB-CG1 4.16Å; W804-V831 HydrophobicContact CE3-CG1 4.3Å; I807-V831 HydrophobicContact CD1-CB 4.4Å; I807-V831 HydrophobicContact CD1-CG1 4.1Å; I807-V831 HydrophobicContact CD1-CG2 3.83Å; L827-V831 HydrophobicContact CD1-CG2 3.97Å; L827-V831 WeakPolarHBondContact O-CB 3.38Å; L827-V831 WeakPolarHBondContact O-CG2 3.47Å; L827-V831 PolarHBondContact O-N 3.12Å; L827-V831 VanDerWaalsContact O-N 3.09Å; L828-V831 PolarHBondContact O-N 2.69Å; E829-V831 VanDerWaalsContact C-N 3.31Å; E829-V831 PolarHBondContact O-N 3.31Å
832L96.6Very high92.3Very high0 Ų031.2 Ų31.20%018%0.179CC..Hα-helixtrans-92.9-31.8-168.5-59.8177.5000113.8W804 L828 G834 F835 I844 F848 I862 L866W804-L832 HydrophobicContact CD2-CD2 3.62Å; W804-L832 HydrophobicContact CE3-CD2 3.71Å; W804-L832 HydrophobicContact CG-CD2 4.1Å; W804-L832 HydrophobicContact CH2-CD1 4.37Å; W804-L832 HydrophobicContact CH2-CD2 4.29Å; W804-L832 HydrophobicContact CZ2-CD2 4.19Å; W804-L832 HydrophobicContact CZ3-CD1 4.43Å; W804-L832 HydrophobicContact CZ3-CD2 4.06Å; L828-L832 HydrophobicContact CB-CD1 4.36Å; L828-L832 HydrophobicContact CD2-CD1 4.46Å; L828-L832 WeakPolarHBondContact O-CB 3.12Å; L828-L832 VanDerWaalsContact O-CG 3.27Å; L828-L832 WeakPolarHBondContact O-CG 3.49Å; L828-L832 PolarHBondContact O-N 2.78Å; L832-G834 PolarHBondContact O-N 3.15Å; L832-F835 HydrophobicContact CD2-CE2 4.16Å; L832-F835 WeakPolarHBondContact O-CD2 3.39Å; L832-F835 PolarHBondContact O-N 2.99Å; L832-F835 VanDerWaalsContact O-N 3.16Å; L832-I844 HydrophobicContact CD1-CG2 4.2Å; L832-I844 HydrophobicContact CD2-CD1 4.07Å; L832-I844 HydrophobicContact CD2-CG1 4.26Å; L832-I844 HydrophobicContact CD2-CG2 4.46Å; L832-F848 HydrophobicContact CD1-CE2 3.59Å; L832-F848 HydrophobicContact CD1-CZ 3.86Å; L832-I862 HydrophobicContact CB-CG2 3.76Å; L832-I862 HydrophobicContact CD1-CD1 4.26Å; L832-I862 HydrophobicContact CD1-CG2 4.31Å; L832-L866 WeakPolarHBondContact O-CD2 3.23Å
833S92.9Very high93Very high12 Ų1230.5 Ų30.58%0.08418%0.183CC..THydrogen-bonded Turntrans-65.4-6.1-171.5-66.70000115.4R623 E829 N869R623-S833 PolarHBondContact NH1-O 3.09Å; E829-S833 WeakPolarHBondContact O-CB 3.44Å; E829-S833 PolarHBondContact O-N 3.44Å; E829-S833 VanDerWaalsContact O-N 3.12Å; E829-S833 PolarHBondContact O-OG 3.14Å; S833-N869 PolarHBondContact O-ND2 3.14Å
834G92Very high93.4Very high3 Ų330.5 Ų30.53%0.03118%0.183CC..THydrogen-bonded Turntrans-89.7-5.4176.700000115.7L832L832-G834 PolarHBondContact O-N 3.15Å
835F93.8Very high93.6Very high1 Ų134.7 Ų34.70%0.00420%0.201CC..  trans-81.5153.3177.6-65.2-70.1000112.5R800 L801 L832 H840 I844 L866 N869R800-F835 HydrophobicContact CB-CE1 4.26Å; R800-F835 HydrophobicContact CB-CZ 4.1Å; R800-F835 HydrophobicContact CG-CD2 4.45Å; R800-F835 HydrophobicContact CG-CE1 3.9Å; R800-F835 HydrophobicContact CG-CE2 3.72Å; R800-F835 HydrophobicContact CG-CZ 3.42Å; R800-F835 VanDerWaalsContact CG-CZ 3.42Å; L801-F835 HydrophobicContact CD2-CE1 3.61Å; L801-F835 HydrophobicContact CD2-CZ 3.9Å; L801-F835 HydrophobicContact CG-CE1 3.96Å; L801-F835 HydrophobicContact CG-CZ 4.37Å; L832-F835 HydrophobicContact CD2-CE2 4.16Å; L832-F835 WeakPolarHBondContact O-CD2 3.39Å; L832-F835 PolarHBondContact O-N 2.99Å; L832-F835 VanDerWaalsContact O-N 3.16Å; F835-H840 HydrophobicContact CB-CB 4.23Å; F835-H840 HydrophobicContact CD1-CB 3.9Å; F835-H840 AromaticContact CD1-CG 3.85Å; F835-H840 AromaticContact CD1-ND1 3.51Å; F835-H840 HydrophobicContact CE1-CB 4.46Å; F835-H840 AromaticContact CE1-ND1 3.94Å; F835-H840 HydrophobicContact CG-CB 4.15Å; F835-I844 HydrophobicContact CB-CD1 4.4Å; F835-I844 HydrophobicContact CD2-CD1 3.46Å; F835-I844 VanDerWaalsContact CD2-CD1 3.46Å; F835-I844 HydrophobicContact CE2-CD1 3.92Å; F835-I844 HydrophobicContact CG-CD1 4.12Å; F835-L866 HydrophobicContact CB-CD2 3.58Å; F835-L866 WeakPolarHBondContact O-CD2 3.19Å; F835-N869 WeakPolarHBondContact O-CB 3.44Å; F835-N869 PolarHBondContact O-ND2 3.2Å
836S91.6Very high93.9Very high6 Ų639.9 Ų39.94%0.04222%0.224CC..  trans-144.1-17.3-173.760.70000114.1S627 Q870S627-S836 VanDerWaalsContact CB-OG 3.23Å; S627-S836 WeakPolarHBondContact CB-OG 3.33Å; S627-S836 PolarHBondContact OG-OG 3.14Å; S836-Q870 WeakPolarHBondContact O-CA 3.11Å; S836-Q870 WeakPolarHBondContact O-CB 3.35Å
837T89.7Confident94.2Very high38 Ų3838.9 Ų38.923%0.23321%0.212CC..SBendtrans-92142.7-174.165.10000111.5S839 H840 I841T837-S839 VanDerWaalsContact C-N 3.25Å; T837-S839 PolarHBondContact O-N 2.8Å; T837-S839 VanDerWaalsContact O-N 3.15Å; T837-H840 PolarHBondContact O-N 3.34Å; T837-H840 VanDerWaalsContact O-N 3.14Å; T837-H840 PolarHBondContact OG1-CE1 3.19Å; T837-H840 VanDerWaalsContact OG1-CG 3.27Å; T837-H840 PolarHBondContact OG1-ND1 3.3Å; T837-I841 VanDerWaalsContact O-CG1 3.28Å; T837-I841 WeakPolarHBondContact O-CG1 3.29Å; T837-I841 PolarHBondContact O-N 3.08Å; T837-I841 VanDerWaalsContact O-N 3.09Å
838K91Very high94.2Very high152 Ų15239.2 Ų39.266%0.66121%0.213SC*.Hα-helixtrans-53.6-39.2-177-169.9176-178.51790113.6I841 S842K838-I841 PolarHBondContact O-N 3.26Å; K838-S842 PolarHBondContact O-N 2.88Å; K838-S842 PolarHBondContact O-OG 3.33Å
839S91.8Very high94.2Very high81 Ų8145.1 Ų45.157%0.56625%0.245SC*.Hα-helixtrans-64-45.2179.553.30000112.9T837 A843T837-S839 VanDerWaalsContact C-N 3.25Å; T837-S839 PolarHBondContact O-N 2.8Å; T837-S839 VanDerWaalsContact O-N 3.15Å; S839-A843 PolarHBondContact O-N 3.24Å; S839-A843 VanDerWaalsContact O-N 3.14Å
840H91.6Very high94.3Very high35 Ų3544.3 Ų44.316%0.16225%0.254CS..Hα-helixtrans-66.4-41.4177.6-61.2151.8000111F835 T837 S842 A843 I844F835-H840 HydrophobicContact CB-CB 4.23Å; F835-H840 HydrophobicContact CD1-CB 3.9Å; F835-H840 AromaticContact CD1-CG 3.85Å; F835-H840 AromaticContact CD1-ND1 3.51Å; F835-H840 HydrophobicContact CE1-CB 4.46Å; F835-H840 AromaticContact CE1-ND1 3.94Å; F835-H840 HydrophobicContact CG-CB 4.15Å; T837-H840 PolarHBondContact O-N 3.34Å; T837-H840 VanDerWaalsContact O-N 3.14Å; T837-H840 PolarHBondContact OG1-CE1 3.19Å; T837-H840 VanDerWaalsContact OG1-CG 3.27Å; T837-H840 PolarHBondContact OG1-ND1 3.3Å; H840-S842 PolarHBondContact O-N 3.45Å; H840-A843 PolarHBondContact O-N 2.88Å; H840-I844 WeakPolarHBondContact O-CD1 3.46Å; H840-I844 VanDerWaalsContact O-CG1 3.24Å; H840-I844 WeakPolarHBondContact O-CG1 3.5Å; H840-I844 PolarHBondContact O-N 3.02Å
841I93.2Very high94.4Very high15 Ų1545.7 Ų45.78%0.07726%0.255CS..Hα-helixtrans-61.5-45.9179.4-61.2173.2000110.8T837 K838 I844 K845 L866 Q870T837-I841 VanDerWaalsContact O-CG1 3.28Å; T837-I841 WeakPolarHBondContact O-CG1 3.29Å; T837-I841 PolarHBondContact O-N 3.08Å; T837-I841 VanDerWaalsContact O-N 3.09Å; K838-I841 PolarHBondContact O-N 3.26Å; I841-I844 PolarHBondContact O-N 3.09Å; I841-K845 HydrophobicContact CG2-CD 4.41Å; I841-K845 WeakPolarHBondContact O-CG 3.33Å; I841-K845 PolarHBondContact O-N 2.99Å; I841-L866 HydrophobicContact CD1-CB 3.99Å; I841-L866 WeakPolarHBondContact CD1-O 3.31Å; I841-L866 HydrophobicContact CG1-CB 3.95Å; I841-L866 HydrophobicContact CG1-CD1 4.24Å; I841-L866 HydrophobicContact CG1-CD2 4.48Å; I841-L866 HydrophobicContact CG1-CG 4.45Å; I841-L866 HydrophobicContact CG2-CB 4.41Å; I841-L866 HydrophobicContact CG2-CD1 4.36Å; I841-Q870 HydrophobicContact CD1-CB 4.27Å
842S95.3Very high94.1Very high53 Ų5350.9 Ų50.937%0.37129%0.289SS..Hα-helixtrans-59.4-47.6175.7-740000112.1K838 H840 I844 K845 E846K838-S842 PolarHBondContact O-N 2.88Å; K838-S842 PolarHBondContact O-OG 3.33Å; H840-S842 PolarHBondContact O-N 3.45Å; S842-I844 VanDerWaalsContact C-N 3.33Å; S842-I844 PolarHBondContact O-N 2.89Å; S842-K845 PolarHBondContact O-N 3.35Å; S842-E846 WeakPolarHBondContact O-CG 3.46Å; S842-E846 PolarHBondContact O-N 2.93Å
843A94.9Very high93.8Very high39 Ų3951.7 Ų51.732%0.32229%0.294SS..Hα-helixtrans-62.9-37.6-179.600000112.9S839 H840 F847S839-A843 PolarHBondContact O-N 3.24Å; S839-A843 VanDerWaalsContact O-N 3.14Å; H840-A843 PolarHBondContact O-N 2.88Å; A843-F847 WeakPolarHBondContact O-CB 3.32Å; A843-F847 PolarHBondContact O-N 3.3Å
844I96.2Very high93.4Very high3 Ų354.2 Ų54.22%0.01531%0.31CS..Hα-helixtrans-66.7-43.4176.4-67.4162.2000110.5L832 F835 H840 I841 S842 F847 F848 Y863 L866L832-I844 HydrophobicContact CD1-CG2 4.2Å; L832-I844 HydrophobicContact CD2-CD1 4.07Å; L832-I844 HydrophobicContact CD2-CG1 4.26Å; L832-I844 HydrophobicContact CD2-CG2 4.46Å; F835-I844 HydrophobicContact CB-CD1 4.4Å; F835-I844 HydrophobicContact CD2-CD1 3.46Å; F835-I844 VanDerWaalsContact CD2-CD1 3.46Å; F835-I844 HydrophobicContact CE2-CD1 3.92Å; F835-I844 HydrophobicContact CG-CD1 4.12Å; H840-I844 WeakPolarHBondContact O-CD1 3.46Å; H840-I844 VanDerWaalsContact O-CG1 3.24Å; H840-I844 WeakPolarHBondContact O-CG1 3.5Å; H840-I844 PolarHBondContact O-N 3.02Å; I841-I844 PolarHBondContact O-N 3.09Å; S842-I844 VanDerWaalsContact C-N 3.33Å; S842-I844 PolarHBondContact O-N 2.89Å; I844-F847 PolarHBondContact O-N 3.09Å; I844-F848 HydrophobicContact CG2-CD2 3.88Å; I844-F848 HydrophobicContact CG2-CE2 3.81Å; I844-F848 VanDerWaalsContact O-CD2 3.24Å; I844-F848 WeakPolarHBondContact O-CD2 3.49Å; I844-F848 PolarHBondContact O-N 2.89Å; I844-Y863 HydrophobicContact CG2-CE1 4.27Å; I844-L866 HydrophobicContact CD1-CD1 4.15Å
845K95.6Very high93.2Very high89 Ų8954.3 Ų54.339%0.38731%0.31SS..Hα-helixtrans-62-49.9176.7-73.8-177.3175.2-167.60111.8I841 S842 F847 F848 D849 Y863I841-K845 HydrophobicContact CG2-CD 4.41Å; I841-K845 WeakPolarHBondContact O-CG 3.33Å; I841-K845 PolarHBondContact O-N 2.99Å; S842-K845 PolarHBondContact O-N 3.35Å; K845-F847 PolarHBondContact O-N 3.37Å; K845-F848 PolarHBondContact O-N 2.83Å; K845-F848 VanDerWaalsContact O-N 3.12Å; K845-D849 VanDerWaalsContact O-CG 3.3Å; K845-D849 PolarHBondContact O-N 3.28Å; K845-Y863 HydrophobicContact CG-CD1 4.03Å; K845-Y863 HydrophobicContact CG-CE1 3.63Å
846E96.7Very high93Very high130 Ų13058.2 Ų58.261%0.60734%0.335SS*.Hα-helixtrans-56.5-38.2176.9-73.1170.7-164.300112.2S842 A850S842-E846 WeakPolarHBondContact O-CG 3.46Å; S842-E846 PolarHBondContact O-N 2.93Å; E846-A850 WeakPolarHBondContact O-CB 3.31Å; E846-A850 PolarHBondContact O-N 3.39Å
847F97.3Very high92.9Very high38 Ų3860 Ų6017%0.16734%0.341CS..Hα-helixtrans-62.9-46.6176.7-180-94.4000112.6W804 T808 W811 A843 I844 K845 A850 N851W804-F847 AromaticContact CH2-CD1 3.85Å; W804-F847 HydrophobicContact CH2-CD1 3.85Å; W804-F847 AromaticContact CH2-CE1 3.78Å; W804-F847 HydrophobicContact CH2-CE1 3.78Å; W804-F847 AromaticContact CZ2-CD1 3.61Å; W804-F847 HydrophobicContact CZ2-CD1 3.61Å; W804-F847 AromaticContact CZ2-CE1 3.95Å; W804-F847 HydrophobicContact CZ2-CE1 3.95Å; W804-F847 HydrophobicContact CZ2-CG 4.05Å; T808-F847 HydrophobicContact CG2-CD1 4.41Å; T808-F847 HydrophobicContact CG2-CD2 3.91Å; T808-F847 HydrophobicContact CG2-CE1 4.07Å; T808-F847 HydrophobicContact CG2-CE2 3.53Å; T808-F847 HydrophobicContact CG2-CG 4.33Å; T808-F847 HydrophobicContact CG2-CZ 3.62Å; W811-F847 HydrophobicContact CB-CZ 4.17Å; W811-F847 AromaticContact CD1-CZ 3.93Å; W811-F847 AromaticContact CD2-CE1 3.81Å; W811-F847 HydrophobicContact CD2-CE1 3.81Å; W811-F847 AromaticContact CD2-CZ 3.6Å; W811-F847 HydrophobicContact CD2-CZ 3.6Å; W811-F847 AromaticContact CE2-CE1 3.69Å; W811-F847 AromaticContact CE2-CZ 3.84Å; W811-F847 HydrophobicContact CE3-CE1 4.08Å; W811-F847 HydrophobicContact CE3-CZ 4.05Å; W811-F847 HydrophobicContact CG-CE1 4.32Å; W811-F847 AromaticContact CG-CZ 3.65Å; W811-F847 HydrophobicContact CG-CZ 3.65Å; W811-F847 HydrophobicContact CH2-CE1 4.13Å; W811-F847 AromaticContact CZ2-CE1 3.84Å; W811-F847 HydrophobicContact CZ2-CE1 3.84Å; W811-F847 HydrophobicContact CZ2-CZ 4.44Å; W811-F847 HydrophobicContact CZ3-CE1 4.24Å; A843-F847 WeakPolarHBondContact O-CB 3.32Å; A843-F847 PolarHBondContact O-N 3.3Å; I844-F847 PolarHBondContact O-N 3.09Å; K845-F847 PolarHBondContact O-N 3.37Å; F847-A850 CarbonylContact O-C 3.44Å; F847-A850 PolarHBondContact O-N 3.25Å; F847-N851 HydrophobicContact CE1-CB 4.24Å; F847-N851 HydrophobicContact CZ-CB 4.34Å; F847-N851 WeakPolarHBondContact O-CB 3.46Å; F847-N851 PolarHBondContact O-N 3.5Å; F847-N851 PolarHBondContact O-ND2 3.15Å
848F96.9Very high92.9Very high6 Ų658.9 Ų58.93%0.02633%0.333CS..Hα-helixtrans-78.2-27.4-178.6-76.3-67.2000113.5W804 W811 L828 L832 I844 K845 A850 N851 V853 L859 Y863W804-F848 HydrophobicContact CH2-CE2 4.11Å; W804-F848 AromaticContact CH2-CZ 3.86Å; W804-F848 HydrophobicContact CH2-CZ 3.86Å; W804-F848 HydrophobicContact CZ2-CE2 4.31Å; W804-F848 HydrophobicContact CZ2-CZ 4.49Å; W811-F848 AromaticContact CH2-CE1 3.69Å; W811-F848 HydrophobicContact CH2-CE1 3.69Å; W811-F848 HydrophobicContact CH2-CZ 4.21Å; W811-F848 HydrophobicContact CZ2-CD1 4.46Å; W811-F848 AromaticContact CZ2-CE1 3.85Å; W811-F848 HydrophobicContact CZ2-CE1 3.85Å; L828-F848 HydrophobicContact CD1-CE1 4.09Å; L828-F848 HydrophobicContact CD1-CZ 4.02Å; L828-F848 HydrophobicContact CD2-CZ 4.09Å; L832-F848 HydrophobicContact CD1-CE2 3.59Å; L832-F848 HydrophobicContact CD1-CZ 3.86Å; I844-F848 HydrophobicContact CG2-CD2 3.88Å; I844-F848 HydrophobicContact CG2-CE2 3.81Å; I844-F848 VanDerWaalsContact O-CD2 3.24Å; I844-F848 WeakPolarHBondContact O-CD2 3.49Å; I844-F848 PolarHBondContact O-N 2.89Å; K845-F848 PolarHBondContact O-N 2.83Å; K845-F848 VanDerWaalsContact O-N 3.12Å; F848-A850 PolarHBondContact O-N 2.87Å; F848-N851 CarbonylContact O-C 3.56Å; F848-N851 PolarHBondContact O-N 2.91Å; F848-V853 HydrophobicContact CD1-CG1 4.19Å; F848-V853 HydrophobicContact CD1-CG2 4.26Å; F848-V853 HydrophobicContact CE1-CG1 3.98Å; F848-V853 HydrophobicContact CE1-CG2 4.26Å; F848-L859 HydrophobicContact CB-CD1 4.44Å; F848-L859 HydrophobicContact CB-CD2 3.95Å; F848-L859 HydrophobicContact CD1-CD1 4.23Å; F848-L859 HydrophobicContact CD1-CD2 4.24Å; F848-L859 HydrophobicContact CD2-CD1 3.54Å; F848-L859 HydrophobicContact CE1-CD1 4.38Å; F848-L859 HydrophobicContact CE2-CD1 3.71Å; F848-L859 HydrophobicContact CG-CD1 3.82Å; F848-L859 HydrophobicContact CG-CD2 4.01Å; F848-L859 HydrophobicContact CZ-CD1 4.14Å; F848-Y863 VanDerWaalsContact CB-OH 3.26Å; F848-Y863 WeakPolarHBondContact CB-OH 3.46Å
849D95.5Very high93.1Very high127 Ų12752.6 Ų52.668%0.67931%0.307SS*.Hα-helixtrans-60.4-38.5168-71.6-20.5000110.5K845K845-D849 VanDerWaalsContact O-CG 3.3Å; K845-D849 PolarHBondContact O-N 3.28Å
850A96.4Very high93.2Very high74 Ų7453.2 Ų53.261%0.61230%0.304SS*.Hα-helixtrans-81.1-24.9175.700000113.7E846 F847 F848E846-A850 WeakPolarHBondContact O-CB 3.31Å; E846-A850 PolarHBondContact O-N 3.39Å; F847-A850 CarbonylContact O-C 3.44Å; F847-A850 PolarHBondContact O-N 3.25Å; F848-A850 PolarHBondContact O-N 2.87Å
851N95.8Very high93.3Very high57 Ų5752.2 Ų52.231%0.30530%0.3SS..SBendtrans-132.976.6-175.8-57.5-88.8000111.3F847 F848F847-N851 HydrophobicContact CE1-CB 4.24Å; F847-N851 HydrophobicContact CZ-CB 4.34Å; F847-N851 WeakPolarHBondContact O-CB 3.46Å; F847-N851 PolarHBondContact O-N 3.5Å; F847-N851 PolarHBondContact O-ND2 3.15Å; F848-N851 CarbonylContact O-C 3.56Å; F848-N851 PolarHBondContact O-N 2.91Å
852P91.7Very high93.4Very high109 Ų10951.6 Ų51.671%0.70830%0.296SS*.  trans-60.3146.6-179.4-23.534.3000112.8
853V90.9Very high93.4Very high18 Ų1850.9 Ų50.911%0.10929%0.286CS..  trans-123.2157.9177.5-65.90000111.3W811 I815 F848 L859W811-V853 HydrophobicContact CH2-CG1 4.04Å; W811-V853 HydrophobicContact CZ2-CG1 3.49Å; W811-V853 VanDerWaalsContact CZ2-CG1 3.49Å; I815-V853 HydrophobicContact CD1-CG1 3.91Å; F848-V853 HydrophobicContact CD1-CG1 4.19Å; F848-V853 HydrophobicContact CD1-CG2 4.26Å; F848-V853 HydrophobicContact CE1-CG1 3.98Å; F848-V853 HydrophobicContact CE1-CG2 4.26Å; V853-L859 HydrophobicContact CG2-CD2 4.3Å
854C83.4Confident93.4Very high64 Ų6450.3 Ų50.343%0.43228%0.276SS..SBendtrans-73.5-26.8-179.962.70000113.8E380 G820 T856E380-C854 VanDerWaalsContact OE1-O 3.14Å; G820-C854 PolarHBondContact N-SG 3.4Å; C854-T856 VanDerWaalsContact C-N 3.26Å; C854-T856 PolarHBondContact O-N 3.16Å
855C87.4Confident93.3Very high5 Ų551.3 Ų51.33%0.03428%0.283CS..  trans-83.160.5-177.351.80000113E380 P825 R857 T858 L859E380-C855 VanDerWaalsContact OE1-C 3.26Å; E380-C855 WeakPolarHBondContact OE1-CA 3.33Å; P825-C855 HydrophobicContact CG-CB 3.74Å; C855-R857 PolarHBondContact O-N 3.25Å; C855-T858 PolarHBondContact O-N 2.97Å; C855-L859 PolarHBondContact O-N 2.96Å
856T89.2Confident93.2Very high84 Ų8447 Ų4752%0.51526%0.264SS..Hα-helixtrans-62.1-38.6-170.457.20000113.1E380 C854 T858 L859 D860E380-T856 PolarHBondContact OE1-N 2.97Å; C854-T856 VanDerWaalsContact C-N 3.26Å; C854-T856 PolarHBondContact O-N 3.16Å; T856-T858 PolarHBondContact O-N 3.29Å; T856-L859 WeakPolarHBondContact O-CB 3.3Å; T856-L859 PolarHBondContact O-N 2.91Å; T856-D860 PolarHBondContact O-N 2.88Å
857R89.4Confident93.1Very high44 Ų4442.9 Ų42.917%0.16625%0.249CC..Hα-helixtrans-63.1-44.3178.6-173.3-177.3-54.6136.19.2112.5E380 C855 L859 D860 Q861E380-R857 VanDerWaalsContact C-NH1 3.25Å; E380-R857 VanDerWaalsContact CB-NH1 3.29Å; E380-R857 PolarHBondContact O-NH1 3.41Å; E380-R857 WeakPolarHBondContact OE2-CB 3.45Å; E380-R857 IonicContact OE2-CZ 3.21Å; E380-R857 IonicContact OE2-NE 2.7Å; E380-R857 IonicContact OE2-NH1 2.72Å; E380-R857 IonicContact OE2-NH2 3.71Å; E380-R857 PolarHBondContact OE2-NH2 3.43Å; C855-R857 PolarHBondContact O-N 3.25Å; R857-L859 PolarHBondContact O-N 3.18Å; R857-D860 PolarHBondContact O-N 3.11Å; R857-Q861 WeakPolarHBondContact O-CG 3.47Å; R857-Q861 PolarHBondContact O-N 3.41Å
858T91.6Very high92.9Very high13 Ų1341.3 Ų41.38%0.0824%0.243CC..Hα-helixtrans-61.5-37.8176.6-53.10000111P825 E829 C855 T856 Q861 I862P825-T858 HydrophobicContact CB-CG2 4.01Å; E829-T858 HydrophobicContact CB-CG2 4.4Å; C855-T858 PolarHBondContact O-N 2.97Å; T856-T858 PolarHBondContact O-N 3.29Å; T858-Q861 PolarHBondContact O-N 3.23Å; T858-I862 HydrophobicContact CG2-CD1 4.03Å; T858-I862 VanDerWaalsContact O-CG1 3.24Å; T858-I862 WeakPolarHBondContact O-CG1 3.34Å; T858-I862 PolarHBondContact O-N 2.92Å
859L93.8Very high92.8Very high21 Ų2141.7 Ų41.711%0.1125%0.245CC..Hα-helixtrans-65.4-41.7177.3-172.860.2000112F848 V853 C855 T856 R857 Q861 I862 Y863F848-L859 HydrophobicContact CB-CD1 4.44Å; F848-L859 HydrophobicContact CB-CD2 3.95Å; F848-L859 HydrophobicContact CD1-CD1 4.23Å; F848-L859 HydrophobicContact CD1-CD2 4.24Å; F848-L859 HydrophobicContact CD2-CD1 3.54Å; F848-L859 HydrophobicContact CE1-CD1 4.38Å; F848-L859 HydrophobicContact CE2-CD1 3.71Å; F848-L859 HydrophobicContact CG-CD1 3.82Å; F848-L859 HydrophobicContact CG-CD2 4.01Å; F848-L859 HydrophobicContact CZ-CD1 4.14Å; V853-L859 HydrophobicContact CG2-CD2 4.3Å; C855-L859 PolarHBondContact O-N 2.96Å; T856-L859 WeakPolarHBondContact O-CB 3.3Å; T856-L859 PolarHBondContact O-N 2.91Å; R857-L859 PolarHBondContact O-N 3.18Å; L859-Q861 VanDerWaalsContact C-N 3.34Å; L859-Q861 PolarHBondContact O-N 3.3Å; L859-I862 PolarHBondContact O-N 3.01Å; L859-Y863 HydrophobicContact CD1-CD1 4.38Å; L859-Y863 HydrophobicContact CD1-CE1 3.68Å; L859-Y863 HydrophobicContact CD1-CE2 4.07Å; L859-Y863 HydrophobicContact CD2-CE2 4.01Å; L859-Y863 HydrophobicContact CG-CD2 4.24Å; L859-Y863 HydrophobicContact CG-CE1 4.18Å; L859-Y863 HydrophobicContact CG-CE2 3.61Å; L859-Y863 WeakPolarHBondContact O-CD2 3.46Å; L859-Y863 PolarHBondContact O-N 2.86Å
860D93.6Very high92.6Very high94 Ų9438 Ų3850%0.50322%0.224SC..Hα-helixtrans-61.2-42.6173.8-75.2-20.5000111.9T856 R857 I862 Y863 E864T856-D860 PolarHBondContact O-N 2.88Å; R857-D860 PolarHBondContact O-N 3.11Å; D860-I862 PolarHBondContact O-N 2.93Å; D860-Y863 PolarHBondContact O-N 3.22Å; D860-E864 PolarHBondContact O-N 3.13Å
861Q94.2Very high92.5Very high14 Ų1437 Ų377%0.06521%0.21CC..Hα-helixtrans-62.4-40.5175.2-69.6168.1-6.800112.5L359 L362 S364 R857 T858 L859 T865L359-Q861 HydrophobicContact CD1-CG 4.47Å; L362-Q861 HydrophobicContact CD1-CB 4.06Å; L362-Q861 HydrophobicContact CD1-CG 4.24Å; S364-Q861 PolarHBondContact O-NE2 3.11Å; S364-Q861 VanDerWaalsContact OG-CA 3.3Å; S364-Q861 WeakPolarHBondContact OG-CA 3.38Å; S364-Q861 WeakPolarHBondContact OG-CG 3.31Å; R857-Q861 WeakPolarHBondContact O-CG 3.47Å; R857-Q861 PolarHBondContact O-N 3.41Å; T858-Q861 PolarHBondContact O-N 3.23Å; L859-Q861 VanDerWaalsContact C-N 3.34Å; L859-Q861 PolarHBondContact O-N 3.3Å; Q861-T865 VanDerWaalsContact O-CB 3.27Å; Q861-T865 WeakPolarHBondContact O-CB 3.44Å; Q861-T865 PolarHBondContact O-N 3.14Å; Q861-T865 PolarHBondContact O-OG1 2.92Å
862I95.6Very high92.4Very high1 Ų134.5 Ų34.51%0.00520%0.197CC..Hα-helixtrans-62.2-50.2173.8-70.7163.6000109.3L828 L832 T858 L859 D860 E864 T865 L866L828-I862 HydrophobicContact CB-CD1 3.82Å; L832-I862 HydrophobicContact CB-CG2 3.76Å; L832-I862 HydrophobicContact CD1-CD1 4.26Å; L832-I862 HydrophobicContact CD1-CG2 4.31Å; T858-I862 HydrophobicContact CG2-CD1 4.03Å; T858-I862 VanDerWaalsContact O-CG1 3.24Å; T858-I862 WeakPolarHBondContact O-CG1 3.34Å; T858-I862 PolarHBondContact O-N 2.92Å; L859-I862 PolarHBondContact O-N 3.01Å; D860-I862 PolarHBondContact O-N 2.93Å; I862-E864 VanDerWaalsContact C-N 3.34Å; I862-E864 PolarHBondContact O-N 3.15Å; I862-T865 WeakPolarHBondContact O-CB 3.45Å; I862-T865 PolarHBondContact O-N 3.3Å; I862-T865 VanDerWaalsContact O-N 3.17Å; I862-L866 HydrophobicContact CG2-CD1 4.04Å; I862-L866 HydrophobicContact CG2-CG 4.22Å; I862-L866 WeakPolarHBondContact O-CB 3.32Å; I862-L866 WeakPolarHBondContact O-CG 3.44Å; I862-L866 PolarHBondContact O-N 3.45Å
863Y95Very high92.5Very high38 Ų3830.6 Ų30.615%0.14917%0.17CC..Hα-helixtrans-60.8-40.7-179.7-67.4-23.2000113.4I844 K845 F848 L859 D860 L866 S867I844-Y863 HydrophobicContact CG2-CE1 4.27Å; K845-Y863 HydrophobicContact CG-CD1 4.03Å; K845-Y863 HydrophobicContact CG-CE1 3.63Å; F848-Y863 VanDerWaalsContact CB-OH 3.26Å; F848-Y863 WeakPolarHBondContact CB-OH 3.46Å; L859-Y863 HydrophobicContact CD1-CD1 4.38Å; L859-Y863 HydrophobicContact CD1-CE1 3.68Å; L859-Y863 HydrophobicContact CD1-CE2 4.07Å; L859-Y863 HydrophobicContact CD2-CE2 4.01Å; L859-Y863 HydrophobicContact CG-CD2 4.24Å; L859-Y863 HydrophobicContact CG-CE1 4.18Å; L859-Y863 HydrophobicContact CG-CE2 3.61Å; L859-Y863 WeakPolarHBondContact O-CD2 3.46Å; L859-Y863 PolarHBondContact O-N 2.86Å; D860-Y863 PolarHBondContact O-N 3.22Å; Y863-L866 HydrophobicContact CD1-CD1 4.43Å; Y863-L866 PolarHBondContact O-N 3.25Å; Y863-S867 PolarHBondContact O-N 3.25Å; Y863-S867 VanDerWaalsContact O-N 3.08Å
864E94.4Very high92.6Very high27 Ų2736 Ų3613%0.12619%0.194CC..Hα-helixtrans-64.2-46.2174.3-172.1173.4-174.600110.9L362 S363 S364 D860 I862 L866 S867 I868L362-E864 HydrophobicContact CD2-CG 4.22Å; S363-E864 WeakPolarHBondContact CB-OE1 3.28Å; S363-E864 PolarHBondContact N-OE1 3.18Å; S363-E864 PolarHBondContact N-OE2 2.99Å; S363-E864 PolarHBondContact OG-OE1 3.32Å; S364-E864 VanDerWaalsContact CB-OE2 3.27Å; S364-E864 WeakPolarHBondContact CB-OE2 3.46Å; S364-E864 PolarHBondContact N-OE2 3.42Å; S364-E864 PolarHBondContact OG-OE2 3.41Å; D860-E864 PolarHBondContact O-N 3.13Å; I862-E864 VanDerWaalsContact C-N 3.34Å; I862-E864 PolarHBondContact O-N 3.15Å; E864-L866 VanDerWaalsContact C-N 3.32Å; E864-L866 PolarHBondContact O-N 2.58Å; E864-S867 WeakPolarHBondContact O-CB 3.42Å; E864-S867 PolarHBondContact O-N 3.31Å; E864-S867 VanDerWaalsContact O-N 3.1Å; E864-I868 HydrophobicContact CG-CD1 3.88Å; E864-I868 HydrophobicContact CG-CG1 4.5Å; E864-I868 WeakPolarHBondContact O-CG1 3.22Å; E864-I868 PolarHBondContact O-N 2.9Å
865T94.9Very high93.2Very high24 Ų2437.2 Ų37.215%0.14719%0.189CC..Hα-helixtrans-57.9-43.8177-64.90000112Q861 I862 S867 I868 N869Q861-T865 VanDerWaalsContact O-CB 3.27Å; Q861-T865 WeakPolarHBondContact O-CB 3.44Å; Q861-T865 PolarHBondContact O-N 3.14Å; Q861-T865 PolarHBondContact O-OG1 2.92Å; I862-T865 WeakPolarHBondContact O-CB 3.45Å; I862-T865 PolarHBondContact O-N 3.3Å; I862-T865 VanDerWaalsContact O-N 3.17Å; T865-S867 VanDerWaalsContact C-N 3.35Å; T865-S867 PolarHBondContact O-N 3.29Å; T865-I868 PolarHBondContact O-N 2.9Å; T865-N869 WeakPolarHBondContact O-CB 3.48Å; T865-N869 PolarHBondContact O-N 2.83Å; T865-N869 PolarHBondContact O-ND2 3.22Å; T865-N869 PolarHBondContact O-OD1 3.17Å
866L94.6Very high93.6Very high0 Ų037.1 Ų37.10%019%0.188CC..Hα-helixtrans-59.8-43.9175.2-70.9-177.6000111.9L832 F835 I841 I844 I862 Y863 E864 N869 Q870L832-L866 WeakPolarHBondContact O-CD2 3.23Å; F835-L866 HydrophobicContact CB-CD2 3.58Å; F835-L866 WeakPolarHBondContact O-CD2 3.19Å; I841-L866 HydrophobicContact CD1-CB 3.99Å; I841-L866 WeakPolarHBondContact CD1-O 3.31Å; I841-L866 HydrophobicContact CG1-CB 3.95Å; I841-L866 HydrophobicContact CG1-CD1 4.24Å; I841-L866 HydrophobicContact CG1-CD2 4.48Å; I841-L866 HydrophobicContact CG1-CG 4.45Å; I841-L866 HydrophobicContact CG2-CB 4.41Å; I841-L866 HydrophobicContact CG2-CD1 4.36Å; I844-L866 HydrophobicContact CD1-CD1 4.15Å; I862-L866 HydrophobicContact CG2-CD1 4.04Å; I862-L866 HydrophobicContact CG2-CG 4.22Å; I862-L866 WeakPolarHBondContact O-CB 3.32Å; I862-L866 WeakPolarHBondContact O-CG 3.44Å; I862-L866 PolarHBondContact O-N 3.45Å; Y863-L866 HydrophobicContact CD1-CD1 4.43Å; Y863-L866 PolarHBondContact O-N 3.25Å; E864-L866 VanDerWaalsContact C-N 3.32Å; E864-L866 PolarHBondContact O-N 2.58Å; L866-N869 PolarHBondContact O-N 2.81Å; L866-Q870 PolarHBondContact O-N 3.44Å
867S92.8Very high94Very high43 Ų4334.3 Ų34.330%0.30117%0.172SC..Hα-helixtrans-66.6-36.9177.1-172.30000112.6Y863 E864 T865 Q870 T871Y863-S867 PolarHBondContact O-N 3.25Å; Y863-S867 VanDerWaalsContact O-N 3.08Å; E864-S867 WeakPolarHBondContact O-CB 3.42Å; E864-S867 PolarHBondContact O-N 3.31Å; E864-S867 VanDerWaalsContact O-N 3.1Å; T865-S867 VanDerWaalsContact C-N 3.35Å; T865-S867 PolarHBondContact O-N 3.29Å; S867-Q870 PolarHBondContact O-N 3Å; S867-T871 PolarHBondContact O-N 3.04Å; S867-T871 VanDerWaalsContact O-N 3.09Å; S867-T871 PolarHBondContact O-OG1 2.77Å
868I93.7Very high94.4Very high5 Ų536.3 Ų36.33%0.02619%0.191CC..Hα-helixtrans-65.3-47.8175.1-71161.1000109.5L362 L478 E864 T865 Q870 T871 V872L362-I868 HydrophobicContact CD2-CD1 3.42Å; L362-I868 VanDerWaalsContact CD2-CD1 3.42Å; L478-I868 HydrophobicContact CB-CD1 3.66Å; L478-I868 HydrophobicContact CB-CG1 4.14Å; L478-I868 HydrophobicContact CB-CG2 4.17Å; L478-I868 HydrophobicContact CD1-CD1 3.94Å; L478-I868 HydrophobicContact CD1-CG2 4.49Å; L478-I868 HydrophobicContact CG-CD1 4.45Å; E864-I868 HydrophobicContact CG-CD1 3.88Å; E864-I868 HydrophobicContact CG-CG1 4.5Å; E864-I868 WeakPolarHBondContact O-CG1 3.22Å; E864-I868 PolarHBondContact O-N 2.9Å; T865-I868 PolarHBondContact O-N 2.9Å; I868-Q870 VanDerWaalsContact C-N 3.25Å; I868-Q870 PolarHBondContact O-N 3.47Å; I868-T871 PolarHBondContact O-N 3Å; I868-T871 VanDerWaalsContact O-N 3.11Å; I868-V872 HydrophobicContact CG2-CG2 4.15Å; I868-V872 VanDerWaalsContact O-CB 3.3Å; I868-V872 WeakPolarHBondContact O-CB 3.43Å; I868-V872 WeakPolarHBondContact O-CG2 3.5Å; I868-V872 PolarHBondContact O-N 2.48Å
869N94.1Very high94.7Very high13 Ų1338.6 Ų38.67%0.0720%0.203CC..Hα-helixtrans-57.1-40.1178.2-70.1-17.4000111.7S833 F835 T865 L866 L873S833-N869 PolarHBondContact O-ND2 3.14Å; F835-N869 WeakPolarHBondContact O-CB 3.44Å; F835-N869 PolarHBondContact O-ND2 3.2Å; T865-N869 WeakPolarHBondContact O-CB 3.48Å; T865-N869 PolarHBondContact O-N 2.83Å; T865-N869 PolarHBondContact O-ND2 3.22Å; T865-N869 PolarHBondContact O-OD1 3.17Å; L866-N869 PolarHBondContact O-N 2.81Å; N869-L873 VanDerWaalsContact O-CB 3.25Å; N869-L873 WeakPolarHBondContact O-CB 3.38Å; N869-L873 PolarHBondContact O-N 3.4Å
870Q93.2Very high94.9Very high50 Ų5037.6 Ų37.623%0.23420%0.197CC..Hα-helixtrans-63-49.6174.5-172.8-174.80.700112S836 I841 L866 S867 I868 V872 L873 E874S836-Q870 WeakPolarHBondContact O-CA 3.11Å; S836-Q870 WeakPolarHBondContact O-CB 3.35Å; I841-Q870 HydrophobicContact CD1-CB 4.27Å; L866-Q870 PolarHBondContact O-N 3.44Å; S867-Q870 PolarHBondContact O-N 3Å; I868-Q870 VanDerWaalsContact C-N 3.25Å; I868-Q870 PolarHBondContact O-N 3.47Å; Q870-V872 VanDerWaalsContact C-N 3.27Å; Q870-V872 PolarHBondContact O-N 3.1Å; Q870-L873 WeakPolarHBondContact O-CB 3.39Å; Q870-L873 PolarHBondContact O-N 2.93Å; Q870-E874 PolarHBondContact NE2-OE1 3.13Å; Q870-E874 VanDerWaalsContact NE2-OE1 3.15Å; Q870-E874 WeakPolarHBondContact O-CG 3.42Å; Q870-E874 PolarHBondContact O-N 2.88Å; Q870-E874 VanDerWaalsContact O-N 3.12Å
871T92.4Very high95Very high53 Ų5334.4 Ų34.433%0.32518%0.184SC..Hα-helixtrans-59-43.9-179.4-570000111Q479 S867 I868 E874 R875Q479-T871 PolarHBondContact NE2-OG1 3.36Å; S867-T871 PolarHBondContact O-N 3.04Å; S867-T871 VanDerWaalsContact O-N 3.09Å; S867-T871 PolarHBondContact O-OG1 2.77Å; I868-T871 PolarHBondContact O-N 3Å; I868-T871 VanDerWaalsContact O-N 3.11Å; T871-E874 PolarHBondContact O-N 2.96Å; T871-R875 WeakPolarHBondContact O-CB 3.32Å; T871-R875 PolarHBondContact O-N 3.48Å
872V94.4Very high95.2Very high5 Ų539.5 Ų39.53%0.0321%0.206CC..Hα-helixtrans-68.6-40.4-179.7161.30000111.5K584 Y620 I624 I868 Q870 E874 R875 D876K584-V872 HydrophobicContact CG-CG2 4.16Å; Y620-V872 HydrophobicContact CD2-CG1 3.79Å; Y620-V872 HydrophobicContact CE2-CG1 3.32Å; I624-V872 HydrophobicContact CD1-CG1 3.62Å; I624-V872 HydrophobicContact CG1-CG1 4.2Å; I868-V872 HydrophobicContact CG2-CG2 4.15Å; I868-V872 VanDerWaalsContact O-CB 3.3Å; I868-V872 WeakPolarHBondContact O-CB 3.43Å; I868-V872 WeakPolarHBondContact O-CG2 3.5Å; I868-V872 PolarHBondContact O-N 2.48Å; Q870-V872 VanDerWaalsContact C-N 3.27Å; Q870-V872 PolarHBondContact O-N 3.1Å; V872-E874 VanDerWaalsContact C-N 3.34Å; V872-E874 PolarHBondContact O-N 2.92Å; V872-R875 PolarHBondContact O-N 3.03Å; V872-D876 VanDerWaalsContact O-CB 3.24Å; V872-D876 WeakPolarHBondContact O-CB 3.37Å; V872-D876 PolarHBondContact O-N 2.97Å
873L94.7Very high95.3Very high26 Ų2639.4 Ų39.414%0.13621%0.205CC..Hα-helixtrans-56.1-47.9173.5173.761.4000111.5I624 N869 Q870 S877I624-L873 HydrophobicContact CB-CD1 4.45Å; I624-L873 HydrophobicContact CG2-CD1 3.9Å; N869-L873 VanDerWaalsContact O-CB 3.25Å; N869-L873 WeakPolarHBondContact O-CB 3.38Å; N869-L873 PolarHBondContact O-N 3.4Å; Q870-L873 WeakPolarHBondContact O-CB 3.39Å; Q870-L873 PolarHBondContact O-N 2.93Å; L873-S877 WeakPolarHBondContact O-CB 3.4Å; L873-S877 PolarHBondContact O-N 3.42Å
874E93.3Very high95.4Very high131 Ų13137.6 Ų37.661%0.61220%0.198SC*.Hα-helixtrans-66.4-42.2-179.4-68.9171.7-167.600112.3Q870 T871 V872Q870-E874 PolarHBondContact NE2-OE1 3.13Å; Q870-E874 VanDerWaalsContact NE2-OE1 3.15Å; Q870-E874 WeakPolarHBondContact O-CG 3.42Å; Q870-E874 PolarHBondContact O-N 2.88Å; Q870-E874 VanDerWaalsContact O-N 3.12Å; T871-E874 PolarHBondContact O-N 2.96Å; V872-E874 VanDerWaalsContact C-N 3.34Å; V872-E874 PolarHBondContact O-N 2.92Å
875R94.4Very high95.4Very high90 Ų9040.8 Ų40.834%0.3422%0.216SC..Hα-helixtrans-74.8-44-177.7-170.5-171.569.5-157.8-8.2112.9A583 K584 G586 T871 V872A583-R875 PolarHBondContact O-NH2 3.35Å; K584-R875 PolarHBondContact O-NH1 3.34Å; K584-R875 PolarHBondContact O-NH2 3Å; G586-R875 VanDerWaalsContact CA-NH1 3.28Å; T871-R875 WeakPolarHBondContact O-CB 3.32Å; T871-R875 PolarHBondContact O-N 3.48Å; V872-R875 PolarHBondContact O-N 3.03Å
876D96.7Very high95.5Very high3 Ų341.6 Ų41.62%0.01622%0.221CC..Hα-helixtrans-103-20.1-161.4-64.4-19.8000114V590 Y620 I624 V872 L879 I880V590-D876 HydrophobicContact CG1-CB 4.03Å; Y620-D876 WeakPolarHBondContact CE2-OD2 3.48Å; Y620-D876 PolarHBondContact OH-OD2 3.18Å; I624-D876 HydrophobicContact CD1-CB 3.97Å; V872-D876 VanDerWaalsContact O-CB 3.24Å; V872-D876 WeakPolarHBondContact O-CB 3.37Å; V872-D876 PolarHBondContact O-N 2.97Å; D876-L879 PolarHBondContact O-N 3.44Å; D876-L879 VanDerWaalsContact O-N 3.08Å; D876-I880 HydrophobicContact CB-CD1 4.09Å; D876-I880 WeakPolarHBondContact O-CG1 3.09Å; D876-I880 PolarHBondContact O-N 2.79Å
877S97Very high95.5Very high25 Ų2542 Ų4218%0.17522%0.223CC..Hα-helixtrans-53.1-47.2179.5178.80000113.1S628 L873 L879 I880 A881S628-S877 WeakPolarHBondContact CB-OG 3.45Å; L873-S877 WeakPolarHBondContact O-CB 3.4Å; L873-S877 PolarHBondContact O-N 3.42Å; S877-L879 VanDerWaalsContact C-N 3.3Å; S877-L879 PolarHBondContact O-N 3.02Å; S877-I880 PolarHBondContact O-N 3.33Å; S877-A881 WeakPolarHBondContact O-CB 3.43Å; S877-A881 PolarHBondContact O-N 3.15Å
878P97.3Very high95.3Very high87 Ų8741 Ų4157%0.56522%0.216SC*.Hα-helixtrans-63.2-35.7178-21.233.7000113.3K882P878-K882 WeakPolarHBondContact O-CB 3.35Å; P878-K882 PolarHBondContact O-N 3.1Å; P878-K882 VanDerWaalsContact O-N 3.1Å
879L97.9Very high94.9Very high61 Ų6144.8 Ų44.832%0.31924%0.243SC..Hα-helixtrans-72.6-41.8-179-64.7178000111.5V590 D876 S877 K882 A883V590-L879 HydrophobicContact CG1-CB 3.52Å; V590-L879 HydrophobicContact CG1-CD1 3.92Å; V590-L879 HydrophobicContact CG1-CG 4.38Å; D876-L879 PolarHBondContact O-N 3.44Å; D876-L879 VanDerWaalsContact O-N 3.08Å; S877-L879 VanDerWaalsContact C-N 3.3Å; S877-L879 PolarHBondContact O-N 3.02Å; L879-K882 PolarHBondContact O-N 2.92Å; L879-A883 WeakPolarHBondContact O-CB 3.37Å; L879-A883 PolarHBondContact O-N 2.93Å
880I98.1Very high93.5Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-64.1-45.2175.3-69.2166.7000110.1V590 L594 I621 I624 I625 I630 D876 S877 K882 A883 L884V590-I880 HydrophobicContact CG1-CG1 4.12Å; V590-I880 HydrophobicContact CG2-CD1 4.33Å; V590-I880 HydrophobicContact CG2-CG1 3.95Å; L594-I880 HydrophobicContact CD1-CG1 4.12Å; I621-I880 HydrophobicContact CD1-CD1 3.79Å; I621-I880 HydrophobicContact CD1-CG1 4.2Å; I621-I880 HydrophobicContact CG2-CD1 4.35Å; I621-I880 HydrophobicContact CG2-CG2 3.93Å; I624-I880 HydrophobicContact CB-CD1 4.13Å; I624-I880 HydrophobicContact CD1-CD1 3.33Å; I624-I880 HydrophobicContact CG1-CD1 4.35Å; I624-I880 HydrophobicContact CG2-CD1 3.98Å; I625-I880 HydrophobicContact CG1-CG2 4.35Å; I630-I880 HydrophobicContact CD1-CB 4.35Å; I630-I880 HydrophobicContact CD1-CG2 4.05Å; D876-I880 HydrophobicContact CB-CD1 4.09Å; D876-I880 WeakPolarHBondContact O-CG1 3.09Å; D876-I880 PolarHBondContact O-N 2.79Å; S877-I880 PolarHBondContact O-N 3.33Å; I880-K882 VanDerWaalsContact C-N 3.28Å; I880-K882 PolarHBondContact O-N 2.79Å; I880-A883 PolarHBondContact O-N 3.25Å; I880-L884 HydrophobicContact CG2-CD1 3.86Å; I880-L884 HydrophobicContact CG2-CG 4.21Å; I880-L884 WeakPolarHBondContact O-CB 3.33Å; I880-L884 WeakPolarHBondContact O-CG 3.25Å; I880-L884 PolarHBondContact O-N 3.05Å
881A97.3Very high91.7Very high26 Ų2650.8 Ų50.822%0.21528%0.28CS..Hα-helixtrans-56.3-45.5175.900000111.3I630 S877 N885I630-A881 HydrophobicContact CD1-CB 3.9Å; I630-A881 HydrophobicContact CG1-CB 3.92Å; S877-A881 WeakPolarHBondContact O-CB 3.43Å; S877-A881 PolarHBondContact O-N 3.15Å; A881-N885 PolarHBondContact O-N 3.14Å; A881-N885 PolarHBondContact O-ND2 3.31Å
882K97.4Very high89.2Confident121 Ų12158 Ų5853%0.52632%0.317SS..Hα-helixtrans-63-46.3176.8-169.6-172.7173.5-173.80111.9Y591 P878 L879 I880 N885 T886Y591-K882 HydrophobicContact CD2-CB 4.06Å; Y591-K882 HydrophobicContact CD2-CD 4.01Å; Y591-K882 HydrophobicContact CD2-CG 4.03Å; Y591-K882 HydrophobicContact CE2-CB 4.17Å; Y591-K882 HydrophobicContact CE2-CD 3.84Å; Y591-K882 HydrophobicContact CE2-CG 3.7Å; P878-K882 WeakPolarHBondContact O-CB 3.35Å; P878-K882 PolarHBondContact O-N 3.1Å; P878-K882 VanDerWaalsContact O-N 3.1Å; L879-K882 PolarHBondContact O-N 2.92Å; I880-K882 VanDerWaalsContact C-N 3.28Å; I880-K882 PolarHBondContact O-N 2.79Å; K882-N885 PolarHBondContact O-N 2.96Å; K882-T886 PolarHBondContact O-N 3.11Å; K882-T886 PolarHBondContact O-OG1 3.34Å; K882-T886 VanDerWaalsContact O-OG1 3.13Å
883A97.6Very high88.9Confident0 Ų060.7 Ų60.70%033%0.331CS..Hα-helixtrans-60.9-48.3-178.800000111.7Y591 L594 L879 I880 N885 T886 L887Y591-A883 HydrophobicContact CD2-CB 3.63Å; Y591-A883 HydrophobicContact CE2-CB 4.13Å; Y591-A883 HydrophobicContact CG-CB 4.4Å; L594-A883 HydrophobicContact CB-CB 3.94Å; L594-A883 HydrophobicContact CD1-CB 3.87Å; L879-A883 WeakPolarHBondContact O-CB 3.37Å; L879-A883 PolarHBondContact O-N 2.93Å; I880-A883 PolarHBondContact O-N 3.25Å; A883-N885 VanDerWaalsContact C-N 3.32Å; A883-N885 PolarHBondContact O-N 3.14Å; A883-T886 WeakPolarHBondContact O-CB 3.3Å; A883-T886 PolarHBondContact O-N 3.01Å; A883-T886 VanDerWaalsContact O-N 3.15Å; A883-L887 WeakPolarHBondContact O-CB 3.24Å; A883-L887 VanDerWaalsContact O-CG 3.32Å; A883-L887 WeakPolarHBondContact O-CG 3.11Å; A883-L887 PolarHBondContact O-N 2.71Å
884L97Very high88.6Confident0 Ų062.5 Ų62.50%034%0.341CS..Hα-helixtrans-63-38.4179.9-67.4177.3000112.1I625 I630 L634 Y635 F638 I880 L887 C888I625-L884 HydrophobicContact CD1-CD1 4.12Å; I630-L884 HydrophobicContact CG2-CD1 4.08Å; L634-L884 HydrophobicContact CD2-CB 3.49Å; L634-L884 VanDerWaalsContact CD2-CB 3.49Å; L634-L884 HydrophobicContact CD2-CD1 4.44Å; L634-L884 HydrophobicContact CG-CB 3.83Å; Y635-L884 HydrophobicContact CD2-CD1 4.47Å; Y635-L884 HydrophobicContact CD2-CD2 4.33Å; F638-L884 HydrophobicContact CB-CD2 3.84Å; F638-L884 HydrophobicContact CD1-CD2 3.83Å; F638-L884 HydrophobicContact CG-CD2 3.84Å; I880-L884 HydrophobicContact CG2-CD1 3.86Å; I880-L884 HydrophobicContact CG2-CG 4.21Å; I880-L884 WeakPolarHBondContact O-CB 3.33Å; I880-L884 WeakPolarHBondContact O-CG 3.25Å; I880-L884 PolarHBondContact O-N 3.05Å; L884-L887 PolarHBondContact O-N 2.79Å; L884-C888 VanDerWaalsContact O-CB 3.25Å; L884-C888 WeakPolarHBondContact O-CB 3.46Å; L884-C888 PolarHBondContact O-N 3.14Å; L884-C888 PolarHBondContact O-SG 3.48Å; L884-C888 VanDerWaalsContact O-SG 3.34Å
885N95.7Very high88.4Confident93 Ų9358.7 Ų58.750%0.49733%0.326SS..Hα-helixtrans-64.7-41.5174.2-79.9-61.1000112A881 K882 A883 S889A881-N885 PolarHBondContact O-N 3.14Å; A881-N885 PolarHBondContact O-ND2 3.31Å; K882-N885 PolarHBondContact O-N 2.96Å; A883-N885 VanDerWaalsContact C-N 3.32Å; A883-N885 PolarHBondContact O-N 3.14Å; N885-S889 WeakPolarHBondContact O-CB 3.41Å; N885-S889 PolarHBondContact O-N 3.2Å; N885-S889 VanDerWaalsContact O-N 3.11Å; N885-S889 PolarHBondContact O-OG 2.83Å
886T95.9Very high88Confident42 Ų4256.9 Ų56.926%0.25833%0.325SS..Hα-helixtrans-60.4-54.8174.1-57.30000110.4Y591 I595 K882 A883 C888 S889 T890Y591-T886 PolarHBondContact OH-OG1 2.9Å; I595-T886 HydrophobicContact CD1-CG2 3.82Å; K882-T886 PolarHBondContact O-N 3.11Å; K882-T886 PolarHBondContact O-OG1 3.34Å; K882-T886 VanDerWaalsContact O-OG1 3.13Å; A883-T886 WeakPolarHBondContact O-CB 3.3Å; A883-T886 PolarHBondContact O-N 3.01Å; A883-T886 VanDerWaalsContact O-N 3.15Å; T886-C888 VanDerWaalsContact C-N 3.32Å; T886-C888 PolarHBondContact O-N 3.31Å; T886-S889 PolarHBondContact O-N 2.76Å; T886-S889 VanDerWaalsContact O-N 3.14Å; T886-S889 PolarHBondContact O-OG 3.22Å; T886-T890 HydrophobicContact CG2-CG2 4.38Å; T886-T890 PolarHBondContact O-N 3.39Å; T886-T890 PolarHBondContact O-OG1 2.79Å
887L94.5Very high87.5Confident8 Ų860.3 Ų60.34%0.04235%0.345CS..Hα-helixtrans-60.8-38.8-176.9-70165.1000112.9L594 I595 P598 F638 A883 L884 L891L594-L887 HydrophobicContact CB-CD1 4.35Å; I595-L887 HydrophobicContact CD1-CD1 4.41Å; I595-L887 HydrophobicContact CD1-CD2 4.08Å; I595-L887 HydrophobicContact CD1-CG 3.88Å; P598-L887 HydrophobicContact CG-CD2 3.76Å; F638-L887 HydrophobicContact CD2-CB 4.28Å; F638-L887 HydrophobicContact CD2-CD1 3.87Å; F638-L887 HydrophobicContact CE2-CD1 3.71Å; F638-L887 HydrophobicContact CZ-CD1 4.37Å; A883-L887 WeakPolarHBondContact O-CB 3.24Å; A883-L887 VanDerWaalsContact O-CG 3.32Å; A883-L887 WeakPolarHBondContact O-CG 3.11Å; A883-L887 PolarHBondContact O-N 2.71Å; L884-L887 PolarHBondContact O-N 2.79Å; L887-L891 WeakPolarHBondContact O-CD1 3.4Å
888C88.5Confident86.8Confident21 Ų2162.6 Ų62.614%0.14236%0.356CS..Hα-helixtrans-74.8-28.5179.3-720000112.9L634 K641 L884 T886L634-C888 HydrophobicContact CD1-CB 3.65Å; L634-C888 VanDerWaalsContact CD1-SG 3.59Å; K641-C888 PolarHBondContact NZ-O 3.16Å; L884-C888 VanDerWaalsContact O-CB 3.25Å; L884-C888 WeakPolarHBondContact O-CB 3.46Å; L884-C888 PolarHBondContact O-N 3.14Å; L884-C888 PolarHBondContact O-SG 3.48Å; L884-C888 VanDerWaalsContact O-SG 3.34Å; T886-C888 VanDerWaalsContact C-N 3.32Å; T886-C888 PolarHBondContact O-N 3.31Å
889S85Confident86.1Confident85 Ų8560.9 Ų60.959%0.59434%0.341SS*.Hα-helixtrans-83.1-31.6179.457.40000114.3N885 T886N885-S889 WeakPolarHBondContact O-CB 3.41Å; N885-S889 PolarHBondContact O-N 3.2Å; N885-S889 VanDerWaalsContact O-N 3.11Å; N885-S889 PolarHBondContact O-OG 2.83Å; T886-S889 PolarHBondContact O-N 2.76Å; T886-S889 VanDerWaalsContact O-N 3.14Å; T886-S889 PolarHBondContact O-OG 3.22Å
890T65.7Low85.2Confident99 Ų9960.8 Ų60.861%0.60734%0.343SS*.Hα-helixtrans-87.1-9.4-175.752.30000114.8T886T886-T890 HydrophobicContact CG2-CG2 4.38Å; T886-T890 PolarHBondContact O-N 3.39Å; T886-T890 PolarHBondContact O-OG1 2.79Å
891L55.4Low84.1Confident91 Ų9165.9 Ų65.948%0.47637%0.371SS..  trans-114.138.6-174.4-75.3162.9000112.5K641 L887K641-L891 HydrophobicContact CD-CB 3.94Å; K641-L891 HydrophobicContact CD-CD1 4.41Å; K641-L891 PolarHBondContact NZ-O 3.18Å; L887-L891 WeakPolarHBondContact O-CD1 3.4Å
892N39.5Very low82.9Confident205 Ų20569.5 Ų69.5100%1.09639%0.385SS*.  trans-106.50170.8-85.46.6000111.4K641K641-N892 PolarHBondContact NZ-OD1 3.18Å; K641-N892 VanDerWaalsContact NZ-OD1 3.16Å

Retrieved 892 of 892 residues in 306.9 ms (Link to these results)

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