A0A5K4F948_SCHMA Loading...

MPN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F948, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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
1M42.1Very low83.6Confident242 Ų24250.3 Ų50.3100%1.19229%0.288SS*.  0130.30-71.9172.9-160.900106.5
2S55.6Low84.7Confident66 Ų6646.2 Ų46.246%0.46226%0.264SS..PPolyproline II helixtrans-67.7138.617659.50000109.4A4 T142S2-A4 PolarHBondContact O-N 3.45Å; S2-T142 WeakPolarHBondContact CB-OG1 3.48Å; S2-T142 PolarHBondContact OG-OG1 2.91Å
3A64.1Low85.5Confident19 Ų1942.6 Ų42.616%0.15724%0.244CC..PPolyproline II helixtrans-58132.7-179.600000109.6V5 S39 I41 T142A3-V5 PolarHBondContact O-N 3.08Å; A3-S39 WeakPolarHBondContact CA-O 3.4Å; A3-I41 HydrophobicContact CB-CD1 4.45Å; A3-I41 HydrophobicContact CB-CG1 4.36Å; A3-T142 WeakPolarHBondContact O-CG2 3.28Å
4A85.7Confident86.4Confident53 Ų5339.6 Ų39.644%0.43823%0.227SC..EExtended strand (participates in β ladder)trans-65.5134.7172.700000108.4S2 S39 Q40 I41S2-A4 PolarHBondContact O-N 3.45Å; A4-S39 PolarHBondContact N-O 2.96Å; A4-Q40 HydrophobicContact CB-CG 4.18Å; A4-Q40 CarbonylContact O-C 3.51Å; A4-Q40 WeakPolarHBondContact O-CA 3.4Å; A4-Q40 WeakPolarHBondContact O-CG 3.21Å; A4-I41 PolarHBondContact O-N 3.24Å
5V94.6Very high87.1Confident1 Ų136.9 Ų36.91%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-108.5128.1177.6-175.60000109.6A3 I41 I43 C112 V131 Y144 T145A3-V5 PolarHBondContact O-N 3.08Å; V5-I41 WeakPolarHBondContact CA-O 3.33Å; V5-I41 HydrophobicContact CG2-CB 4.32Å; V5-I43 HydrophobicContact CG1-CD1 3.9Å; V5-C112 HydrophobicContact CG2-CB 4.48Å; V5-V131 HydrophobicContact CB-CG1 4.1Å; V5-V131 HydrophobicContact CG1-CG1 4.12Å; V5-V131 HydrophobicContact CG2-CG1 3.77Å; V5-Y144 CarbonylContact O-C 3.57Å; V5-Y144 WeakPolarHBondContact O-CA 3.48Å; V5-T145 PolarHBondContact O-N 3.29Å; V5-T145 PolarHBondContact O-OG1 2.91Å
6H95.2Very high87.6Confident58 Ų5834.7 Ų34.727%0.26920%0.199SC..EExtended strand (participates in β ladder)trans-117.1131.2172.3-173.975.5000109.8I41 I42 I43 T145H6-I41 PolarHBondContact N-O 2.87Å; H6-I42 HydrophobicContact CB-CG1 4.45Å; H6-I43 PolarHBondContact O-N 2.95Å; H6-T145 WeakPolarHBondContact CA-O 3.47Å; H6-T145 PolarHBondContact ND1-O 3.5Å; H6-T145 PolarHBondContact ND1-OG1 3.15Å
7I96.3Very high88.1Confident0 Ų032.6 Ų32.60%019%0.187CC..EExtended strand (participates in β ladder)trans-107114.4178-43.3-178.6000108.1P11 F12 M15 I43 L114 F129 Y144 T145 F146I7-P11 HydrophobicContact CG2-CG 4.3Å; I7-F12 HydrophobicContact CB-CD2 4.47Å; I7-F12 HydrophobicContact CG2-CB 3.91Å; I7-F12 HydrophobicContact CG2-CD2 4.16Å; I7-M15 HydrophobicContact CG2-CE 3.79Å; I7-I43 HydrophobicContact CG1-CD1 4.25Å; I7-L114 HydrophobicContact CD1-CD1 3.74Å; I7-L114 HydrophobicContact CG1-CD1 4.42Å; I7-F129 HydrophobicContact CD1-CD2 3.66Å; I7-F129 HydrophobicContact CD1-CE2 4.06Å; I7-F129 HydrophobicContact CD1-CG 4.4Å; I7-Y144 HydrophobicContact CD1-CD2 3.35Å; I7-Y144 HydrophobicContact CD1-CE2 3.77Å; I7-Y144 HydrophobicContact CD1-CG 3.96Å; I7-Y144 HydrophobicContact CG1-CD2 3.87Å; I7-Y144 HydrophobicContact CG1-CG 4.47Å; I7-T145 PolarHBondContact N-O 2.91Å; I7-F146 HydrophobicContact CB-CB 4.39Å
8G95.7Very high88.6Confident17 Ų1730.8 Ų30.818%0.17518%0.177CC..  trans-63.7162.7171.800000112.3P11 F12 I43G8-P11 WeakPolarHBondContact O-CD 3.43Å; G8-P11 WeakPolarHBondContact O-CG 3.45Å; G8-F12 VanDerWaalsContact O-CB 3.24Å; G8-F12 WeakPolarHBondContact O-CB 3.38Å; G8-F12 PolarHBondContact O-N 3.19Å; G8-I43 WeakPolarHBondContact CA-O 3.1Å; G8-I43 PolarHBondContact N-O 2.82Å
9E95.8Very high88.8Confident69 Ų6929.5 Ų29.532%0.32217%0.17SC..Hα-helixtrans-62.4-47.8-176.6-171.8174.5162.100112.6F12 L13 V150 K153E9-F12 WeakPolarHBondContact O-CB 3.31Å; E9-F12 PolarHBondContact O-N 2.99Å; E9-L13 HydrophobicContact CG-CD1 4.02Å; E9-L13 HydrophobicContact CG-CG 4.49Å; E9-L13 VanDerWaalsContact O-CG 3.31Å; E9-L13 WeakPolarHBondContact O-CG 3.32Å; E9-L13 PolarHBondContact O-N 2.84Å; E9-V150 HydrophobicContact CG-CB 4.25Å; E9-V150 HydrophobicContact CG-CG2 3.77Å; E9-K153 WeakPolarHBondContact OE1-CD 3.35Å; E9-K153 IonicContact OE1-NZ 2.59Å
10L97.1Very high89Confident27 Ų2728.8 Ų28.814%0.14117%0.168CC..Hα-helixtrans-57.5-55.8-179177.564.7000113.8F12 L13 K14 L189L10-F12 VanDerWaalsContact C-N 3.26Å; L10-F12 PolarHBondContact O-N 3.31Å; L10-L13 PolarHBondContact O-N 3.44Å; L10-K14 HydrophobicContact CD1-CD 4.3Å; L10-K14 HydrophobicContact CD1-CG 4.19Å; L10-K14 HydrophobicContact CG-CD 4.42Å; L10-K14 PolarHBondContact O-N 2.91Å; L10-L189 HydrophobicContact CD1-CB 3.99Å; L10-L189 HydrophobicContact CD1-CD1 4.16Å
11P97.5Very high89.3Confident1 Ų129.9 Ų29.91%0.00617%0.17CC..Hα-helixtrans-62.8-37.1179.620.2-30.3000111.5I7 G8 L13 K14 M15 I43 T44I7-P11 HydrophobicContact CG2-CG 4.3Å; G8-P11 WeakPolarHBondContact O-CD 3.43Å; G8-P11 WeakPolarHBondContact O-CG 3.45Å; P11-L13 VanDerWaalsContact C-N 3.33Å; P11-L13 PolarHBondContact O-N 3.4Å; P11-K14 PolarHBondContact O-N 2.73Å; P11-M15 WeakPolarHBondContact O-CB 3.39Å; P11-M15 WeakPolarHBondContact O-CE 3.35Å; P11-M15 VanDerWaalsContact O-CG 3.25Å; P11-M15 WeakPolarHBondContact O-CG 3.43Å; P11-M15 PolarHBondContact O-N 2.95Å; P11-I43 HydrophobicContact CB-CG2 3.74Å; P11-I43 HydrophobicContact CG-CB 4.48Å; P11-I43 HydrophobicContact CG-CG2 3.82Å; P11-I43 WeakPolarHBondContact CG-O 3.42Å; P11-T44 WeakPolarHBondContact CD-O 3.47Å
12F96.4Very high91.7Very high1 Ų119.4 Ų19.40%0.00412%0.118CC..Hα-helixtrans-55.8-49.3175.9-171.8-74000111.3I7 G8 E9 L10 I16 Y128 F129 F146 V150 L154I7-F12 HydrophobicContact CB-CD2 4.47Å; I7-F12 HydrophobicContact CG2-CB 3.91Å; I7-F12 HydrophobicContact CG2-CD2 4.16Å; G8-F12 VanDerWaalsContact O-CB 3.24Å; G8-F12 WeakPolarHBondContact O-CB 3.38Å; G8-F12 PolarHBondContact O-N 3.19Å; E9-F12 WeakPolarHBondContact O-CB 3.31Å; E9-F12 PolarHBondContact O-N 2.99Å; L10-F12 VanDerWaalsContact C-N 3.26Å; L10-F12 PolarHBondContact O-N 3.31Å; F12-I16 HydrophobicContact CD1-CD1 3.72Å; F12-I16 HydrophobicContact CE1-CD1 3.35Å; F12-I16 HydrophobicContact CZ-CD1 4.1Å; F12-I16 WeakPolarHBondContact O-CG1 3.37Å; F12-I16 PolarHBondContact O-N 2.98Å; F12-Y128 HydrophobicContact CE1-CD2 4.3Å; F12-Y128 HydrophobicContact CE1-CE2 4.34Å; F12-Y128 HydrophobicContact CE2-CD2 4.01Å; F12-Y128 AromaticContact CZ-CD2 3.34Å; F12-Y128 HydrophobicContact CZ-CD2 3.34Å; F12-Y128 AromaticContact CZ-CE2 3.59Å; F12-Y128 HydrophobicContact CZ-CE2 3.59Å; F12-Y128 AromaticContact CZ-CG 3.89Å; F12-Y128 HydrophobicContact CZ-CG 3.89Å; F12-F129 AromaticContact CD2-CE2 3.6Å; F12-F129 HydrophobicContact CD2-CE2 3.6Å; F12-F129 HydrophobicContact CD2-CZ 4.42Å; F12-F129 HydrophobicContact CE2-CD2 4.3Å; F12-F129 AromaticContact CE2-CE2 3.58Å; F12-F129 HydrophobicContact CE2-CE2 3.58Å; F12-F129 HydrophobicContact CG-CE2 4.2Å; F12-F129 HydrophobicContact CZ-CE2 4.17Å; F12-F146 HydrophobicContact CD2-CB 4.12Å; F12-F146 HydrophobicContact CD2-CD2 4.09Å; F12-F146 HydrophobicContact CD2-CG 4.12Å; F12-F146 HydrophobicContact CE2-CB 4.18Å; F12-F146 HydrophobicContact CE2-CD1 4.15Å; F12-F146 AromaticContact CE2-CD2 3.49Å; F12-F146 HydrophobicContact CE2-CD2 3.49Å; F12-F146 VanDerWaalsContact CE2-CD2 3.49Å; F12-F146 HydrophobicContact CE2-CE1 4.4Å; F12-F146 AromaticContact CE2-CE2 3.78Å; F12-F146 HydrophobicContact CE2-CE2 3.78Å; F12-F146 AromaticContact CE2-CG 3.68Å; F12-F146 HydrophobicContact CE2-CG 3.68Å; F12-F146 HydrophobicContact CE2-CZ 4.23Å; F12-F146 AromaticContact CZ-CD2 3.96Å; F12-F146 HydrophobicContact CZ-CD2 3.96Å; F12-F146 AromaticContact CZ-CE2 3.86Å; F12-F146 HydrophobicContact CZ-CE2 3.86Å; F12-F146 HydrophobicContact CZ-CZ 4.39Å; F12-V150 HydrophobicContact CB-CG2 4.43Å; F12-V150 HydrophobicContact CD1-CB 4.39Å; F12-V150 HydrophobicContact CD1-CG1 3.87Å; F12-V150 HydrophobicContact CD1-CG2 3.55Å; F12-V150 HydrophobicContact CD2-CG1 4.46Å; F12-V150 HydrophobicContact CE1-CB 4.47Å; F12-V150 HydrophobicContact CE1-CG1 3.55Å; F12-V150 HydrophobicContact CE1-CG2 3.97Å; F12-V150 HydrophobicContact CE2-CG1 4.2Å; F12-V150 HydrophobicContact CG-CG1 4.31Å; F12-V150 HydrophobicContact CG-CG2 4.13Å; F12-V150 HydrophobicContact CZ-CG1 3.73Å; F12-L154 HydrophobicContact CE1-CD2 4.25Å
13L96.1Very high93.3Very high0 Ų020.3 Ų20.30%012%0.123CC..Hα-helixtrans-67.4-47.9179.6-63172.7000111.3E9 L10 P11 M15 I16 L17 V150 K153 L154 I157 L189E9-L13 HydrophobicContact CG-CD1 4.02Å; E9-L13 HydrophobicContact CG-CG 4.49Å; E9-L13 VanDerWaalsContact O-CG 3.31Å; E9-L13 WeakPolarHBondContact O-CG 3.32Å; E9-L13 PolarHBondContact O-N 2.84Å; L10-L13 PolarHBondContact O-N 3.44Å; P11-L13 VanDerWaalsContact C-N 3.33Å; P11-L13 PolarHBondContact O-N 3.4Å; L13-M15 PolarHBondContact O-N 3.14Å; L13-I16 PolarHBondContact O-N 3.44Å; L13-L17 WeakPolarHBondContact O-CB 3.3Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 2.96Å; L13-V150 HydrophobicContact CD1-CG2 4.4Å; L13-V150 HydrophobicContact CD2-CG2 3.44Å; L13-V150 VanDerWaalsContact CD2-CG2 3.44Å; L13-V150 HydrophobicContact CG-CG2 3.79Å; L13-K153 HydrophobicContact CD1-CD 3.83Å; L13-K153 HydrophobicContact CD1-CG 4.19Å; L13-L154 HydrophobicContact CD2-CB 4.06Å; L13-L154 HydrophobicContact CD2-CD1 4.19Å; L13-I157 HydrophobicContact CB-CD1 4.02Å; L13-I157 HydrophobicContact CD1-CD1 4.43Å; L13-I157 HydrophobicContact CD2-CD1 3.65Å; L13-I157 HydrophobicContact CG-CD1 4.22Å; L13-L189 HydrophobicContact CB-CD1 4.42Å; L13-L189 HydrophobicContact CD1-CD2 4.37Å
14K97.7Very high94.4Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-59.9-42.4-179.4-72.4-176.9167.2-178.80112.6L10 P11 I16 L17 H18 D45 Y46 I166 L181 S186 L189L10-K14 HydrophobicContact CD1-CD 4.3Å; L10-K14 HydrophobicContact CD1-CG 4.19Å; L10-K14 HydrophobicContact CG-CD 4.42Å; L10-K14 PolarHBondContact O-N 2.91Å; P11-K14 PolarHBondContact O-N 2.73Å; K14-I16 VanDerWaalsContact C-N 3.32Å; K14-I16 PolarHBondContact O-N 2.79Å; K14-L17 PolarHBondContact O-N 2.8Å; K14-H18 WeakPolarHBondContact O-CB 3.5Å; K14-H18 PolarHBondContact O-N 3.47Å; K14-D45 WeakPolarHBondContact CD-OD1 3.35Å; K14-D45 WeakPolarHBondContact CE-OD1 3.28Å; K14-D45 IonicContact NZ-OD1 2.73Å; K14-D45 PolarHBondContact NZ-OD1 3.18Å; K14-D45 IonicContact NZ-OD2 3.18Å; K14-D45 PolarHBondContact NZ-OD2 3.05Å; K14-Y46 HydrophobicContact CB-CD1 3.73Å; K14-Y46 WeakPolarHBondContact CD-O 3.3Å; K14-Y46 PolarHBondContact NZ-O 3.42Å; K14-I166 HydrophobicContact CB-CD1 4.05Å; K14-I166 HydrophobicContact CG-CD1 4.44Å; K14-I166 WeakPolarHBondContact O-CD1 3.22Å; K14-L181 PolarHBondContact NZ-O 3.22Å; K14-S186 WeakPolarHBondContact CE-OG 3.43Å; K14-S186 PolarHBondContact NZ-OG 3.06Å; K14-L189 HydrophobicContact CG-CD1 4.21Å
15M96.9Very high94.5Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-58.5-44.8177.1-75-175.4-67.200111.6I7 P11 L13 H18 A19 L31 Y46 F82 L114 F129I7-M15 HydrophobicContact CG2-CE 3.79Å; P11-M15 WeakPolarHBondContact O-CB 3.39Å; P11-M15 WeakPolarHBondContact O-CE 3.35Å; P11-M15 VanDerWaalsContact O-CG 3.25Å; P11-M15 WeakPolarHBondContact O-CG 3.43Å; P11-M15 PolarHBondContact O-N 2.95Å; L13-M15 PolarHBondContact O-N 3.14Å; M15-H18 PolarHBondContact O-N 3.23Å; M15-A19 PolarHBondContact O-N 3.23Å; M15-A19 VanDerWaalsContact O-N 3.15Å; M15-L31 HydrophobicContact CE-CD2 4.43Å; M15-L31 HydrophobicContact CG-CD2 4.46Å; M15-L31 HydrophobicContact SD-CD2 3.57Å; M15-L31 VanDerWaalsContact SD-CD2 3.57Å; M15-Y46 HydrophobicContact CB-CD1 4.29Å; M15-Y46 HydrophobicContact CB-CE1 4.37Å; M15-Y46 HydrophobicContact CG-CD1 3.59Å; M15-Y46 HydrophobicContact CG-CD2 3.76Å; M15-Y46 HydrophobicContact CG-CE1 3.89Å; M15-Y46 HydrophobicContact CG-CE2 4.07Å; M15-Y46 HydrophobicContact CG-CG 3.51Å; M15-Y46 HydrophobicContact SD-CD2 4.5Å; M15-F82 HydrophobicContact CB-CD2 4.43Å; M15-F82 HydrophobicContact CB-CE1 4.41Å; M15-F82 HydrophobicContact CB-CE2 4.02Å; M15-F82 HydrophobicContact CB-CZ 3.99Å; M15-F82 HydrophobicContact CG-CD1 4.41Å; M15-F82 HydrophobicContact CG-CD2 4.01Å; M15-F82 HydrophobicContact CG-CE2 4.12Å; M15-F82 HydrophobicContact CG-CG 4.13Å; M15-F82 HydrophobicContact CG-CZ 4.35Å; M15-F82 HydrophobicContact SD-CB 4.3Å; M15-F82 HydrophobicContact SD-CD2 3.43Å; M15-F82 WeakPolarHBondContact SD-CD2 3.21Å; M15-F82 HydrophobicContact SD-CE2 3.82Å; M15-F82 HydrophobicContact SD-CG 3.92Å; M15-L114 HydrophobicContact CE-CD2 4.03Å; M15-L114 HydrophobicContact SD-CD2 3.59Å; M15-L114 VanDerWaalsContact SD-CD2 3.59Å; M15-F129 HydrophobicContact CB-CE1 4.28Å; M15-F129 HydrophobicContact CB-CZ 4.34Å; M15-F129 HydrophobicContact CE-CE1 4.09Å; M15-F129 HydrophobicContact CE-CE2 4.19Å; M15-F129 HydrophobicContact CE-CZ 3.75Å; M15-F129 HydrophobicContact SD-CE1 4.29Å
16I95Very high94.3Very high1 Ų126.4 Ų26.41%0.00515%0.146CC..Hα-helixtrans-71-39179.6-61.1174.8000111.2F12 L13 K14 H18 A19 A20 F116 L121 Y128 F129 L154F12-I16 HydrophobicContact CD1-CD1 3.72Å; F12-I16 HydrophobicContact CE1-CD1 3.35Å; F12-I16 HydrophobicContact CZ-CD1 4.1Å; F12-I16 WeakPolarHBondContact O-CG1 3.37Å; F12-I16 PolarHBondContact O-N 2.98Å; L13-I16 PolarHBondContact O-N 3.44Å; K14-I16 VanDerWaalsContact C-N 3.32Å; K14-I16 PolarHBondContact O-N 2.79Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 3.14Å; I16-A19 PolarHBondContact O-N 2.89Å; I16-A20 WeakPolarHBondContact O-CB 3.33Å; I16-A20 PolarHBondContact O-N 3.3Å; I16-F116 HydrophobicContact CD1-CE2 4.5Å; I16-F116 HydrophobicContact CG1-CE2 3.87Å; I16-F116 HydrophobicContact CG1-CZ 4.33Å; I16-F116 HydrophobicContact CG2-CZ 4.36Å; I16-L121 HydrophobicContact CG2-CD2 3.53Å; I16-Y128 HydrophobicContact CD1-CD1 4.05Å; I16-Y128 HydrophobicContact CD1-CE1 4.47Å; I16-Y128 HydrophobicContact CD1-CG 4.38Å; I16-F129 HydrophobicContact CD1-CZ 4.29Å; I16-F129 HydrophobicContact CG1-CZ 4.02Å; I16-L154 HydrophobicContact CB-CD1 4.09Å; I16-L154 HydrophobicContact CD1-CD1 3.98Å; I16-L154 HydrophobicContact CD1-CD2 3.61Å; I16-L154 HydrophobicContact CD1-CG 4.46Å; I16-L154 HydrophobicContact CG2-CD1 3.72Å
17L96Very high94.3Very high0 Ų023.7 Ų23.70%013%0.134CC..Hα-helixtrans-60.8-41.4174.8-71.7178.8000111.6L13 K14 A20 K21 I157 V162 H163 I166 L185 L189L13-L17 WeakPolarHBondContact O-CB 3.3Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.28Å; L13-L17 PolarHBondContact O-N 2.96Å; K14-L17 PolarHBondContact O-N 2.8Å; L17-A20 PolarHBondContact O-N 2.88Å; L17-K21 PolarHBondContact O-N 3.45Å; L17-I157 HydrophobicContact CD1-CD1 4.08Å; L17-I157 HydrophobicContact CD2-CD1 3.76Å; L17-I157 HydrophobicContact CD2-CG1 4.14Å; L17-I157 HydrophobicContact CG-CD1 3.94Å; L17-V162 HydrophobicContact CD1-CG1 4.03Å; L17-V162 HydrophobicContact CD2-CB 4.2Å; L17-V162 HydrophobicContact CD2-CG1 4.43Å; L17-H163 HydrophobicContact CB-CB 4.38Å; L17-H163 HydrophobicContact CD2-CB 3.83Å; L17-H163 WeakPolarHBondContact O-CB 3.36Å; L17-I166 HydrophobicContact CB-CB 4.4Å; L17-I166 HydrophobicContact CB-CD1 3.86Å; L17-I166 HydrophobicContact CB-CG2 4.35Å; L17-L185 HydrophobicContact CD1-CD2 4.47Å; L17-L189 HydrophobicContact CD1-CD1 3.89Å; L17-L189 HydrophobicContact CD1-CD2 4.33Å
18H96.3Very high94.3Very high0 Ų023.7 Ų23.70%013%0.134CC..Hα-helixtrans-63.2-49.9178.2-173.2-159.7000111.3K14 M15 I16 A20 K21 H22 N28 Y46 P48 I166 D168K14-H18 WeakPolarHBondContact O-CB 3.5Å; K14-H18 PolarHBondContact O-N 3.47Å; M15-H18 PolarHBondContact O-N 3.23Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 3.14Å; H18-A20 VanDerWaalsContact C-N 3.3Å; H18-A20 PolarHBondContact O-N 3.39Å; H18-K21 WeakPolarHBondContact O-CB 3.3Å; H18-K21 PolarHBondContact O-N 3.21Å; H18-H22 AromaticContact CD2-CD2 3.87Å; H18-H22 PolarHBondContact O-N 3.11Å; H18-N28 PolarHBondContact CE1-O 2.88Å; H18-N28 VanDerWaalsContact CE1-O 3.29Å; H18-Y46 HydrophobicContact CB-CE1 4.07Å; H18-Y46 AromaticContact ND1-CZ 3.86Å; H18-Y46 PolarHBondContact ND1-OH 2.8Å; H18-P48 HydrophobicContact CB-CB 4.47Å; H18-I166 HydrophobicContact CB-CD1 4.07Å; H18-D168 IonicContact CE1-OD2 3.95Å; H18-D168 IonicContact NE2-OD2 3.48Å; H18-D168 PolarHBondContact NE2-OD2 2.86Å
19A93.5Very high94.3Very high6 Ų622.9 Ų22.95%0.0513%0.125CC..Hα-helixtrans-61.7-37175.700000112.5M15 I16 K21 H22 V27 A84 F116M15-A19 PolarHBondContact O-N 3.23Å; M15-A19 VanDerWaalsContact O-N 3.15Å; I16-A19 PolarHBondContact O-N 2.89Å; A19-K21 VanDerWaalsContact C-N 3.32Å; A19-K21 PolarHBondContact O-N 2.83Å; A19-H22 CarbonylContact O-C 3.38Å; A19-H22 PolarHBondContact O-N 3.5Å; A19-V27 HydrophobicContact CB-CG2 4.08Å; A19-A84 HydrophobicContact CB-CB 4.34Å; A19-F116 HydrophobicContact CB-CD1 3.78Å; A19-F116 HydrophobicContact CB-CE1 3.81Å
20A92.9Very high94.4Very high15 Ų1519.6 Ų19.612%0.12411%0.11CC..Hα-helixtrans-72.1-23.4177.800000113.6I16 L17 H18 L121 L158 H163I16-A20 WeakPolarHBondContact O-CB 3.33Å; I16-A20 PolarHBondContact O-N 3.3Å; L17-A20 PolarHBondContact O-N 2.88Å; H18-A20 VanDerWaalsContact C-N 3.3Å; H18-A20 PolarHBondContact O-N 3.39Å; A20-L121 HydrophobicContact CB-CD2 4.42Å; A20-L158 HydrophobicContact CB-CD2 4.04Å; A20-H163 HydrophobicContact CB-CB 3.87Å
21K95.1Very high94.5Very high52 Ų5218.3 Ų18.323%0.22610%0.103CC..Hα-helixtrans-71.7-34.7174.5-173.2180167.7-174.10111.8L17 H18 A19 P23 H163 I166 D171L17-K21 PolarHBondContact O-N 3.45Å; H18-K21 WeakPolarHBondContact O-CB 3.3Å; H18-K21 PolarHBondContact O-N 3.21Å; A19-K21 VanDerWaalsContact C-N 3.32Å; A19-K21 PolarHBondContact O-N 2.83Å; K21-P23 VanDerWaalsContact C-CD 3.48Å; K21-P23 WeakPolarHBondContact O-CD 3.31Å; K21-H163 HydrophobicContact CB-CB 4.5Å; K21-H163 WeakPolarHBondContact CB-O 3.48Å; K21-H163 WeakPolarHBondContact CD-O 3.21Å; K21-H163 WeakPolarHBondContact CG-O 3.48Å; K21-I166 HydrophobicContact CB-CG2 4.09Å; K21-I166 HydrophobicContact CD-CG2 3.74Å; K21-I166 VanDerWaalsContact CD-O 3.26Å; K21-I166 WeakPolarHBondContact CD-O 3.31Å; K21-I166 WeakPolarHBondContact CE-O 3.26Å; K21-I166 PolarHBondContact NZ-O 3.38Å; K21-D171 VanDerWaalsContact NZ-CG 3.33Å; K21-D171 IonicContact NZ-OD1 3.83Å; K21-D171 PolarHBondContact NZ-OD1 3.05Å; K21-D171 IonicContact NZ-OD2 3.72Å; K21-D171 PolarHBondContact NZ-OD2 2.7Å
22H92.9Very high94.5Very high21 Ų2118.2 Ų18.210%0.09710%0.103CC..SBendtrans-124.865.6-177-54.6-81.7000111.6H18 A19 E24 S25 V27 H51H18-H22 AromaticContact CD2-CD2 3.87Å; H18-H22 PolarHBondContact O-N 3.11Å; A19-H22 CarbonylContact O-C 3.38Å; A19-H22 PolarHBondContact O-N 3.5Å; H22-E24 VanDerWaalsContact C-N 3.27Å; H22-E24 PolarHBondContact O-N 3.39Å; H22-S25 PolarHBondContact O-N 3.21Å; H22-S25 VanDerWaalsContact O-N 3.13Å; H22-V27 HydrophobicContact CB-CG1 3.82Å; H22-H51 HydrophobicContact CB-CB 4.01Å; H22-H51 VanDerWaalsContact CD2-CB 3.48Å; H22-H51 WeakPolarHBondContact CD2-CB 3.42Å; H22-H51 AromaticContact CD2-CG 3.83Å; H22-H51 AromaticContact CE1-CD2 3.36Å; H22-H51 PolarHBondContact CE1-CD2 3.44Å; H22-H51 AromaticContact CE1-CE1 3.6Å; H22-H51 AromaticContact CE1-CG 3.25Å; H22-H51 AromaticContact CE1-ND1 3.4Å; H22-H51 PolarHBondContact CE1-ND1 3.39Å; H22-H51 AromaticContact CE1-NE2 3.58Å; H22-H51 VanDerWaalsContact CG-CB 3.44Å; H22-H51 AromaticContact CG-CG 3.82Å; H22-H51 AromaticContact ND1-CD2 3.45Å; H22-H51 PolarHBondContact ND1-CD2 2.96Å; H22-H51 AromaticContact ND1-CG 3.48Å; H22-H51 AromaticContact NE2-CG 3.53Å; H22-H51 AromaticContact NE2-ND1 3.47Å; H22-H51 PolarHBondContact NE2-ND1 2.77Å
23P88.5Confident94.5Very high85 Ų8518.3 Ų18.355%0.55210%0.104SC*.THydrogen-bonded Turntrans-67.6-24.7-170.325.7-31.6000114.1K21K21-P23 VanDerWaalsContact C-CD 3.48Å; K21-P23 WeakPolarHBondContact O-CD 3.31Å
24E86.3Confident94.3Very high133 Ų13321.9 Ų21.962%0.62112%0.123SC*.THydrogen-bonded Turntrans-89.1-2.2176.565.7-85.4-169.700114.2H22H22-E24 VanDerWaalsContact C-N 3.27Å; H22-E24 PolarHBondContact O-N 3.39Å
25S89.2Confident93.5Very high37 Ų3726.9 Ų26.926%0.25915%0.146SC..SBendtrans-120.8150.1-174.8-580000111.6H22 H51H22-S25 PolarHBondContact O-N 3.21Å; H22-S25 VanDerWaalsContact O-N 3.13Å; S25-H51 VanDerWaalsContact CB-O 3.26Å; S25-H51 WeakPolarHBondContact CB-O 3.47Å
26S90.9Very high92.3Very high32 Ų3232.8 Ų32.822%0.22418%0.178CC..  trans-67135.6162.958.10000109.5I54 A84S26-I54 WeakPolarHBondContact OG-CD1 3.48Å; S26-A84 CarbonylContact C-O 3.49Å; S26-A84 WeakPolarHBondContact CA-O 3.49Å; S26-A84 WeakPolarHBondContact CB-O 3.38Å
27V94.3Very high91.3Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-120.9154.8173.3-62.10000111.4A19 H22 F50 H51 F82 Q83 A84A19-V27 HydrophobicContact CB-CG2 4.08Å; H22-V27 HydrophobicContact CB-CG1 3.82Å; V27-F50 CarbonylContact C-O 3.57Å; V27-F50 VanDerWaalsContact CA-O 3.25Å; V27-F50 WeakPolarHBondContact CA-O 3.43Å; V27-H51 HydrophobicContact CG1-CB 3.9Å; V27-F82 HydrophobicContact CG2-CE1 4.06Å; V27-Q83 CarbonylContact O-C 3.5Å; V27-Q83 WeakPolarHBondContact O-CA 3.46Å; V27-A84 HydrophobicContact CG2-CB 3.56Å; V27-A84 PolarHBondContact N-O 3.4Å; V27-A84 PolarHBondContact O-N 2.97Å
28N95.6Very high90.2Very high0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-141174.2173.575.1-15000113.7H18 Y46 L49 F50 I54 Y81 F82H18-N28 PolarHBondContact CE1-O 2.88Å; H18-N28 VanDerWaalsContact CE1-O 3.29Å; N28-Y46 PolarHBondContact O-OH 2.93Å; N28-L49 PolarHBondContact O-N 3.44Å; N28-L49 WeakPolarHBondContact OD1-CB 2.92Å; N28-F50 PolarHBondContact N-O 3.11Å; N28-F50 WeakPolarHBondContact OD1-CB 3.22Å; N28-F50 WeakPolarHBondContact OD1-CD2 3.5Å; N28-F50 PolarHBondContact OD1-N 3.44Å; N28-F50 PolarHBondContact OD1-O 2.96Å; N28-I54 HydrophobicContact CB-CD1 4.33Å; N28-I54 HydrophobicContact CB-CG2 4.38Å; N28-I54 VanDerWaalsContact ND2-CG2 3.33Å; N28-I54 WeakPolarHBondContact ND2-CG2 3.43Å; N28-Y81 HydrophobicContact CB-CE2 4.01Å; N28-Y81 WeakPolarHBondContact CB-OH 3.46Å; N28-Y81 PolarHBondContact ND2-OH 2.72Å; N28-F82 CarbonylContact C-O 3.53Å; N28-F82 WeakPolarHBondContact CA-O 3.26Å; N28-F82 VanDerWaalsContact CB-O 3.3Å; N28-F82 WeakPolarHBondContact CB-O 3.26Å
29G96.8Very high89.5Confident0 Ų047.8 Ų47.80%026%0.263CS..EExtended strand (participates in β ladder)trans177.1-171.6168.100000114.3I47 Y81 F82G29-I47 CarbonylContact C-O 3.56Å; G29-I47 VanDerWaalsContact CA-O 3.24Å; G29-I47 WeakPolarHBondContact CA-O 3.42Å; G29-Y81 WeakPolarHBondContact O-CD2 3.27Å; G29-F82 PolarHBondContact N-O 3.49Å; G29-F82 PolarHBondContact O-N 3.12Å
30I97.9Very high89.3Confident0 Ų050.8 Ų50.80%028%0.276CS..EExtended strand (participates in β ladder)trans-111.2136-173.3-58.1-61.8000110.7L32 Y46 I47 L49 L64 I67 I78 Y81 L104I30-L32 HydrophobicContact CG2-CD2 3.97Å; I30-Y46 WeakPolarHBondContact O-CA 3.38Å; I30-Y46 WeakPolarHBondContact O-CD2 3.36Å; I30-I47 PolarHBondContact N-O 3.19Å; I30-I47 PolarHBondContact O-N 3.28Å; I30-L49 HydrophobicContact CD1-CD1 4.12Å; I30-L49 HydrophobicContact CG1-CD1 3.73Å; I30-L49 HydrophobicContact CG1-CG 4.28Å; I30-L64 HydrophobicContact CD1-CD2 3.72Å; I30-L64 HydrophobicContact CG1-CD2 3.98Å; I30-I67 HydrophobicContact CB-CD1 4.07Å; I30-I67 HydrophobicContact CG1-CD1 3.79Å; I30-I67 HydrophobicContact CG2-CG2 4.35Å; I30-I78 HydrophobicContact CG2-CB 4.2Å; I30-I78 HydrophobicContact CG2-CD1 4.18Å; I30-I78 HydrophobicContact CG2-CG1 3.83Å; I30-I78 HydrophobicContact CG2-CG2 3.55Å; I30-Y81 HydrophobicContact CD1-CD2 4.05Å; I30-L104 HydrophobicContact CD1-CD1 4.06Å
31L98.1Very high89.3Confident0 Ų050.6 Ų50.60%027%0.273CS..EExtended strand (participates in β ladder)trans-97.9133.9177.5-57.4168.3000109.2M15 I43 Y46 C79 G80 F82 L114M15-L31 HydrophobicContact CE-CD2 4.43Å; M15-L31 HydrophobicContact CG-CD2 4.46Å; M15-L31 HydrophobicContact SD-CD2 3.57Å; M15-L31 VanDerWaalsContact SD-CD2 3.57Å; L31-I43 HydrophobicContact CB-CG1 4.48Å; L31-I43 HydrophobicContact CB-CG2 3.98Å; L31-I43 HydrophobicContact CD1-CD1 3.86Å; L31-I43 HydrophobicContact CD2-CG2 3.9Å; L31-I43 HydrophobicContact CG-CG2 4.44Å; L31-Y46 HydrophobicContact CD2-CD2 3.8Å; L31-Y46 HydrophobicContact CD2-CG 4.45Å; L31-C79 PolarHBondContact O-N 3.21Å; L31-G80 PolarHBondContact N-O 3.14Å; L31-G80 PolarHBondContact O-N 3.25Å; L31-F82 HydrophobicContact CD2-CB 4.27Å; L31-F82 HydrophobicContact CG-CB 4.38Å; L31-L114 HydrophobicContact CD1-CB 3.84Å; L31-L114 HydrophobicContact CD1-CD1 4.41Å
32L97.7Very high89.3Confident0 Ų050 Ų500%027%0.271CS..EExtended strand (participates in β ladder)trans-113.5151.7-177.3-55.8-173.4000111.5I30 I43 T44 D45 I47 I67 Y70 C71 L76 Q77 I78I30-L32 HydrophobicContact CG2-CD2 3.97Å; L32-I43 CarbonylContact O-C 3.6Å; L32-I43 WeakPolarHBondContact O-CA 3.35Å; L32-T44 PolarHBondContact O-N 2.8Å; L32-T44 PolarHBondContact O-OG1 2.99Å; L32-D45 HydrophobicContact CB-CB 4.2Å; L32-D45 HydrophobicContact CD1-CB 4.37Å; L32-D45 PolarHBondContact N-O 3.48Å; L32-D45 PolarHBondContact O-N 3.2Å; L32-I47 HydrophobicContact CD1-CD1 3.71Å; L32-I47 HydrophobicContact CD1-CG1 4.03Å; L32-I47 HydrophobicContact CG-CD1 4.48Å; L32-I67 HydrophobicContact CD2-CG2 4.12Å; L32-Y70 HydrophobicContact CD1-CD1 4.48Å; L32-Y70 HydrophobicContact CD1-CE1 4.22Å; L32-C71 VanDerWaalsContact CD2-SG 3.59Å; L32-L76 HydrophobicContact CD1-CD1 4.06Å; L32-Q77 CarbonylContact C-O 3.59Å; L32-Q77 VanDerWaalsContact CA-O 3.27Å; L32-Q77 WeakPolarHBondContact CA-O 3.34Å; L32-I78 HydrophobicContact CD2-CG1 4.07Å
33S96.2Very high89.5Confident3 Ų349 Ų492%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-129.3151.4170.7-1680000110.1Q35 I42 T44 L76 Q77S33-Q35 PolarHBondContact OG-N 3.45Å; S33-Q35 PolarHBondContact OG-O 2.86Å; S33-I42 WeakPolarHBondContact CB-O 3.27Å; S33-I42 PolarHBondContact OG-O 2.73Å; S33-T44 WeakPolarHBondContact CA-OG1 3.41Å; S33-L76 CarbonylContact O-C 3.59Å; S33-L76 WeakPolarHBondContact O-CA 3.34Å; S33-Q77 PolarHBondContact N-O 2.98Å; S33-Q77 WeakPolarHBondContact O-CG 3.18Å; S33-Q77 PolarHBondContact O-N 3.15Å
34D92.8Very high89.9Confident75 Ų7546.8 Ų46.840%0.40125%0.252SS..SBendtrans-94.5-11.7173.765.6-18.4000112.9T44 L76D34-T44 HydrophobicContact CB-CG2 4.44Å; D34-T44 PolarHBondContact N-OG1 2.98Å; D34-T44 WeakPolarHBondContact OD1-CG2 3.31Å; D34-L76 HydrophobicContact CB-CD2 3.78Å
35Q81.4Confident90.5Very high104 Ų10441.1 Ų41.149%0.48623%0.226SC..SBendtrans-141.9144.3-175.3-67.1-178.744.400111.5S33 H37 Q77S33-Q35 PolarHBondContact OG-N 3.45Å; S33-Q35 PolarHBondContact OG-O 2.86Å; Q35-H37 PolarHBondContact OE1-CE1 3.35Å; Q35-Q77 VanDerWaalsContact C-NE2 3.29Å; Q35-Q77 PolarHBondContact O-NE2 3.34Å
36N71.2Confident90.9Very high125 Ų12539.4 Ų39.467%0.66821%0.214SC*.  trans-87.8114.4165.1-95.6-38.3000109Q77N36-Q77 PolarHBondContact ND2-OE1 3.39Å; N36-Q77 VanDerWaalsContact OD1-CD 3.23Å; N36-Q77 PolarHBondContact OD1-NE2 2.93Å; N36-Q77 PolarHBondContact OD1-OE1 3.26Å
37H73Confident91.2Very high64 Ų6437.9 Ų37.930%0.29620%0.203SC..BIsolated β-bridgetrans-110.1127.8165-55.7-74.8000108.6Q35 S39 Q40 I42Q35-H37 PolarHBondContact OE1-CE1 3.35Å; H37-S39 PolarHBondContact O-N 3.15Å; H37-S39 VanDerWaalsContact O-N 3.12Å; H37-Q40 HydrophobicContact CB-CB 4.16Å; H37-Q40 WeakPolarHBondContact CB-O 3.43Å; H37-Q40 PolarHBondContact O-N 3.05Å; H37-I42 WeakPolarHBondContact NE2-CD1 3.36Å
38D73.3Confident91.4Very high159 Ų15937.9 Ų37.985%0.8520%0.203SC*.THydrogen-bonded Turntrans-59.5-28.3-176.7-73.1-25.8000113.3
39S81Confident91.5Very high93 Ų9337.9 Ų37.965%0.6520%0.203SC*.THydrogen-bonded Turntrans-115.9-4.6-172.1600000114.8A3 A4 H37A3-S39 WeakPolarHBondContact CA-O 3.4Å; A4-S39 PolarHBondContact N-O 2.96Å; H37-S39 PolarHBondContact O-N 3.15Å; H37-S39 VanDerWaalsContact O-N 3.12Å
40Q89.3Confident91.4Very high68 Ų6838.1 Ų38.132%0.31820%0.204SC..EExtended strand (participates in β ladder)trans-143.1137.4-171.7-170.3175.9-4.400111.3A4 H37 I42A4-Q40 HydrophobicContact CB-CG 4.18Å; A4-Q40 CarbonylContact O-C 3.51Å; A4-Q40 WeakPolarHBondContact O-CA 3.4Å; A4-Q40 WeakPolarHBondContact O-CG 3.21Å; H37-Q40 HydrophobicContact CB-CB 4.16Å; H37-Q40 WeakPolarHBondContact CB-O 3.43Å; H37-Q40 PolarHBondContact O-N 3.05Å; Q40-I42 HydrophobicContact CG-CG1 3.97Å
41I93.7Very high91.2Very high11 Ų1139.8 Ų39.86%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-100.4113.4169.6-61.9172.7000107.4A3 A4 V5 H6 I43 C79 C112A3-I41 HydrophobicContact CB-CD1 4.45Å; A3-I41 HydrophobicContact CB-CG1 4.36Å; A4-I41 PolarHBondContact O-N 3.24Å; V5-I41 WeakPolarHBondContact CA-O 3.33Å; V5-I41 HydrophobicContact CG2-CB 4.32Å; H6-I41 PolarHBondContact N-O 2.87Å; I41-I43 HydrophobicContact CG2-CG1 4.12Å; I41-C79 HydrophobicContact CG2-CB 3.97Å; I41-C112 HydrophobicContact CD1-CB 3.9Å
42I95.4Very high90.1Very high39 Ų3942.5 Ų42.520%0.223%0.231CC..EExtended strand (participates in β ladder)trans-104.8108.9174.5-55.7-174000108.2H6 S33 H37 Q40 T44H6-I42 HydrophobicContact CB-CG1 4.45Å; S33-I42 WeakPolarHBondContact CB-O 3.27Å; S33-I42 PolarHBondContact OG-O 2.73Å; H37-I42 WeakPolarHBondContact NE2-CD1 3.36Å; Q40-I42 HydrophobicContact CG-CG1 3.97Å; I42-T44 HydrophobicContact CG2-CG2 4.05Å
43I97.1Very high88.9Confident0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-85.4118.2179.2-55.7165.1000108.1V5 H6 I7 G8 P11 L31 L32 I41 L114V5-I43 HydrophobicContact CG1-CD1 3.9Å; H6-I43 PolarHBondContact O-N 2.95Å; I7-I43 HydrophobicContact CG1-CD1 4.25Å; G8-I43 WeakPolarHBondContact CA-O 3.1Å; G8-I43 PolarHBondContact N-O 2.82Å; P11-I43 HydrophobicContact CB-CG2 3.74Å; P11-I43 HydrophobicContact CG-CB 4.48Å; P11-I43 HydrophobicContact CG-CG2 3.82Å; P11-I43 WeakPolarHBondContact CG-O 3.42Å; L31-I43 HydrophobicContact CB-CG1 4.48Å; L31-I43 HydrophobicContact CB-CG2 3.98Å; L31-I43 HydrophobicContact CD1-CD1 3.86Å; L31-I43 HydrophobicContact CD2-CG2 3.9Å; L31-I43 HydrophobicContact CG-CG2 4.44Å; L32-I43 CarbonylContact O-C 3.6Å; L32-I43 WeakPolarHBondContact O-CA 3.35Å; I41-I43 HydrophobicContact CG2-CG1 4.12Å; I43-L114 HydrophobicContact CD1-CD1 4.03Å
44T96.9Very high87.7Confident39 Ų3947.5 Ų47.524%0.23926%0.261CS..  trans-110.8-21.9-174.955.80000113.8P11 L32 S33 D34 I42P11-T44 WeakPolarHBondContact CD-O 3.47Å; L32-T44 PolarHBondContact O-N 2.8Å; L32-T44 PolarHBondContact O-OG1 2.99Å; S33-T44 WeakPolarHBondContact CA-OG1 3.41Å; D34-T44 HydrophobicContact CB-CG2 4.44Å; D34-T44 PolarHBondContact N-OG1 2.98Å; D34-T44 WeakPolarHBondContact OD1-CG2 3.31Å; I42-T44 HydrophobicContact CG2-CG2 4.05Å
45D97.8Very high86.7Confident15 Ų1548.6 Ų48.68%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-151.4166.6172.2-1573000111.6K14 L32K14-D45 WeakPolarHBondContact CD-OD1 3.35Å; K14-D45 WeakPolarHBondContact CE-OD1 3.28Å; K14-D45 IonicContact NZ-OD1 2.73Å; K14-D45 PolarHBondContact NZ-OD1 3.18Å; K14-D45 IonicContact NZ-OD2 3.18Å; K14-D45 PolarHBondContact NZ-OD2 3.05Å; L32-D45 HydrophobicContact CB-CB 4.2Å; L32-D45 HydrophobicContact CD1-CB 4.37Å; L32-D45 PolarHBondContact N-O 3.48Å; L32-D45 PolarHBondContact O-N 3.2Å
46Y98.4Very high86.5Confident0 Ų048.2 Ų48.20%027%0.267CS..EExtended strand (participates in β ladder)trans-137.6133.2179167.8-112.1000109.5K14 M15 H18 N28 I30 L31 P48 F82K14-Y46 HydrophobicContact CB-CD1 3.73Å; K14-Y46 WeakPolarHBondContact CD-O 3.3Å; K14-Y46 PolarHBondContact NZ-O 3.42Å; M15-Y46 HydrophobicContact CB-CD1 4.29Å; M15-Y46 HydrophobicContact CB-CE1 4.37Å; M15-Y46 HydrophobicContact CG-CD1 3.59Å; M15-Y46 HydrophobicContact CG-CD2 3.76Å; M15-Y46 HydrophobicContact CG-CE1 3.89Å; M15-Y46 HydrophobicContact CG-CE2 4.07Å; M15-Y46 HydrophobicContact CG-CG 3.51Å; M15-Y46 HydrophobicContact SD-CD2 4.5Å; H18-Y46 HydrophobicContact CB-CE1 4.07Å; H18-Y46 AromaticContact ND1-CZ 3.86Å; H18-Y46 PolarHBondContact ND1-OH 2.8Å; N28-Y46 PolarHBondContact O-OH 2.93Å; I30-Y46 WeakPolarHBondContact O-CA 3.38Å; I30-Y46 WeakPolarHBondContact O-CD2 3.36Å; L31-Y46 HydrophobicContact CD2-CD2 3.8Å; L31-Y46 HydrophobicContact CD2-CG 4.45Å; Y46-P48 HydrophobicContact CD1-CG 4.13Å; Y46-P48 HydrophobicContact CE1-CB 4.12Å; Y46-P48 HydrophobicContact CE1-CG 3.69Å; Y46-F82 HydrophobicContact CD2-CB 4.28Å; Y46-F82 HydrophobicContact CE2-CB 3.7Å; Y46-F82 AromaticContact CE2-CD1 3.78Å; Y46-F82 HydrophobicContact CE2-CD1 3.78Å; Y46-F82 AromaticContact CE2-CG 3.98Å; Y46-F82 HydrophobicContact CE2-CG 3.98Å; Y46-F82 AromaticContact CZ-CD1 3.69Å; Y46-F82 VanDerWaalsContact OH-CD1 3.32Å; Y46-F82 WeakPolarHBondContact OH-CD1 3.33Å
47I98.4Very high87.2Confident1 Ų146.1 Ų46.11%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-110.1110174.3-62.4-179.4000108.7G29 I30 L32 I67 Y70 F180 L181G29-I47 CarbonylContact C-O 3.56Å; G29-I47 VanDerWaalsContact CA-O 3.24Å; G29-I47 WeakPolarHBondContact CA-O 3.42Å; I30-I47 PolarHBondContact N-O 3.19Å; I30-I47 PolarHBondContact O-N 3.28Å; L32-I47 HydrophobicContact CD1-CD1 3.71Å; L32-I47 HydrophobicContact CD1-CG1 4.03Å; L32-I47 HydrophobicContact CG-CD1 4.48Å; I47-I67 HydrophobicContact CB-CD1 4.18Å; I47-I67 HydrophobicContact CD1-CB 4.46Å; I47-I67 HydrophobicContact CD1-CD1 4.24Å; I47-I67 HydrophobicContact CD1-CG1 3.81Å; I47-I67 HydrophobicContact CD1-CG2 4.03Å; I47-I67 HydrophobicContact CG2-CD1 3.82Å; I47-I67 HydrophobicContact CG2-CG1 4.19Å; I47-Y70 HydrophobicContact CD1-CD1 4.25Å; I47-Y70 HydrophobicContact CD1-CE1 4.48Å; I47-F180 HydrophobicContact CG2-CD2 3.57Å; I47-F180 HydrophobicContact CG2-CE2 3.81Å; I47-L181 HydrophobicContact CD1-CD2 3.62Å; I47-L181 HydrophobicContact CG1-CD2 4.36Å
48P97.9Very high88Confident0 Ų046.8 Ų46.80%027%0.269CS..EExtended strand (participates in β ladder)trans-60134.4170.9-20.132.5000111.1H18 Y46 I166 D168 F169H18-P48 HydrophobicContact CB-CB 4.47Å; Y46-P48 HydrophobicContact CD1-CG 4.13Å; Y46-P48 HydrophobicContact CE1-CB 4.12Å; Y46-P48 HydrophobicContact CE1-CG 3.69Å; P48-I166 HydrophobicContact CG-CD1 3.82Å; P48-I166 HydrophobicContact CG-CG1 4Å; P48-D168 HydrophobicContact CB-CB 3.49Å; P48-D168 VanDerWaalsContact CB-CB 3.49Å; P48-F169 PolarHBondContact O-N 3.15Å
49L96.7Very high88.8Confident0 Ų042.7 Ų42.70%025%0.246CC..  trans-109.6-77179.5-74.6-173.8000112N28 I30 L60 A63 I67 D168 F169 D170N28-L49 PolarHBondContact O-N 3.44Å; N28-L49 WeakPolarHBondContact OD1-CB 2.92Å; I30-L49 HydrophobicContact CD1-CD1 4.12Å; I30-L49 HydrophobicContact CG1-CD1 3.73Å; I30-L49 HydrophobicContact CG1-CG 4.28Å; L49-L60 HydrophobicContact CD1-CD1 3.77Å; L49-A63 HydrophobicContact CD2-CB 3.51Å; L49-I67 HydrophobicContact CD2-CD1 3.79Å; L49-D168 WeakPolarHBondContact O-CB 3.33Å; L49-F169 HydrophobicContact CD2-CB 4.01Å; L49-F169 HydrophobicContact CD2-CG 4.4Å; L49-F169 CarbonylContact O-C 3.51Å; L49-F169 VanDerWaalsContact O-CA 3.25Å; L49-F169 WeakPolarHBondContact O-CA 3.38Å; L49-F169 WeakPolarHBondContact O-CB 3.19Å; L49-F169 PolarHBondContact O-N 3.46Å; L49-D170 PolarHBondContact O-N 3.44Å
50F95.5Very high89.3Confident5 Ų539.1 Ų39.12%0.02222%0.219CC..  trans-128.1145.3-169.8-48.7-66.6000110.8V27 N28 I54 M59 L60 A63 F169 D170V27-F50 CarbonylContact C-O 3.57Å; V27-F50 VanDerWaalsContact CA-O 3.25Å; V27-F50 WeakPolarHBondContact CA-O 3.43Å; N28-F50 PolarHBondContact N-O 3.11Å; N28-F50 WeakPolarHBondContact OD1-CB 3.22Å; N28-F50 WeakPolarHBondContact OD1-CD2 3.5Å; N28-F50 PolarHBondContact OD1-N 3.44Å; N28-F50 PolarHBondContact OD1-O 2.96Å; F50-I54 HydrophobicContact CB-CG1 4.45Å; F50-M59 HydrophobicContact CE1-CB 3.83Å; F50-M59 HydrophobicContact CZ-CB 3.89Å; F50-L60 HydrophobicContact CE2-CB 4.1Å; F50-L60 HydrophobicContact CE2-CD1 4.1Å; F50-L60 HydrophobicContact CZ-CB 4.48Å; F50-A63 HydrophobicContact CZ-CB 4.16Å; F50-F169 HydrophobicContact CE1-CB 4.32Å; F50-F169 AromaticContact CE1-CD1 3.82Å; F50-F169 HydrophobicContact CE1-CD1 3.82Å; F50-F169 HydrophobicContact CZ-CD1 4.25Å; F50-D170 WeakPolarHBondContact CA-OD2 3.47Å; F50-D170 WeakPolarHBondContact CD1-OD1 3.36Å
51H92.6Very high89.5Confident35 Ų3542 Ų4216%0.16223%0.233CC..SBendtrans-119.2-2.8167.863.2-96.4000112H22 S25 V27 D168 D170 D171H22-H51 HydrophobicContact CB-CB 4.01Å; H22-H51 VanDerWaalsContact CD2-CB 3.48Å; H22-H51 WeakPolarHBondContact CD2-CB 3.42Å; H22-H51 AromaticContact CD2-CG 3.83Å; H22-H51 AromaticContact CE1-CD2 3.36Å; H22-H51 PolarHBondContact CE1-CD2 3.44Å; H22-H51 AromaticContact CE1-CE1 3.6Å; H22-H51 AromaticContact CE1-CG 3.25Å; H22-H51 AromaticContact CE1-ND1 3.4Å; H22-H51 PolarHBondContact CE1-ND1 3.39Å; H22-H51 AromaticContact CE1-NE2 3.58Å; H22-H51 VanDerWaalsContact CG-CB 3.44Å; H22-H51 AromaticContact CG-CG 3.82Å; H22-H51 AromaticContact ND1-CD2 3.45Å; H22-H51 PolarHBondContact ND1-CD2 2.96Å; H22-H51 AromaticContact ND1-CG 3.48Å; H22-H51 AromaticContact NE2-CG 3.53Å; H22-H51 AromaticContact NE2-ND1 3.47Å; H22-H51 PolarHBondContact NE2-ND1 2.77Å; S25-H51 VanDerWaalsContact CB-O 3.26Å; S25-H51 WeakPolarHBondContact CB-O 3.47Å; V27-H51 HydrophobicContact CG1-CB 3.9Å; H51-D168 IonicContact CE1-OD1 3.25Å; H51-D168 PolarHBondContact CE1-OD1 3.33Å; H51-D168 IonicContact CE1-OD2 2.95Å; H51-D168 IonicContact CG-OD2 3.64Å; H51-D168 PolarHBondContact N-OD2 3.44Å; H51-D168 IonicContact ND1-OD1 3.93Å; H51-D168 PolarHBondContact ND1-OD1 3.37Å; H51-D168 IonicContact ND1-OD2 2.74Å; H51-D168 PolarHBondContact ND1-OD2 3.26Å; H51-D170 WeakPolarHBondContact CE1-CB 3.16Å; H51-D170 IonicContact CG-OD2 3.88Å; H51-D170 PolarHBondContact N-OD2 3.13Å; H51-D170 IonicContact ND1-OD2 3.38Å; H51-D171 IonicContact CE1-OD1 2.66Å
52S76.7Confident89.5Confident57 Ų5744.3 Ų44.340%0.39925%0.247SC..SBendtrans-130149.4175.173.90000110.1I54 D170S52-I54 PolarHBondContact O-N 3.37Å; S52-D170 PolarHBondContact N-OD2 3.26Å; S52-D170 PolarHBondContact OG-OD2 3.38Å
53V71.9Confident89.5Confident96 Ų9642.4 Ų42.458%0.58224%0.238SC*.  trans2667.3176.6-158.20000115.2N55 L56V53-N55 PolarHBondContact O-N 2.87Å; V53-L56 HydrophobicContact CB-CD1 4.12Å; V53-L56 HydrophobicContact CB-CG 4.24Å; V53-L56 HydrophobicContact CG1-CD1 4.07Å; V53-L56 HydrophobicContact CG1-CD2 4.26Å; V53-L56 HydrophobicContact CG1-CG 3.76Å; V53-L56 PolarHBondContact O-N 3.25Å
54I71.6Confident89.4Confident12 Ų1244.2 Ų44.26%0.06225%0.247CC..THydrogen-bonded Turntrans-54.2-15.3-177.7-62.2177.3000113.9S26 N28 F50 S52S26-I54 WeakPolarHBondContact OG-CD1 3.48Å; N28-I54 HydrophobicContact CB-CD1 4.33Å; N28-I54 HydrophobicContact CB-CG2 4.38Å; N28-I54 VanDerWaalsContact ND2-CG2 3.33Å; N28-I54 WeakPolarHBondContact ND2-CG2 3.43Å; F50-I54 HydrophobicContact CB-CG1 4.45Å; S52-I54 PolarHBondContact O-N 3.37Å
55N71.8Confident89.3Confident97 Ų9750.5 Ų50.552%0.51927%0.268SS..THydrogen-bonded Turntrans-92.73.7-167.8-56.1-15.1000113.8V53 T57 I96V53-N55 PolarHBondContact O-N 2.87Å; N55-T57 PolarHBondContact O-N 2.69Å; N55-I96 HydrophobicContact CB-CD1 4.13Å; N55-I96 WeakPolarHBondContact ND2-CD1 3.32Å; N55-I96 WeakPolarHBondContact OD1-CD1 3.34Å
56L77Confident89.2Confident96 Ų9653.9 Ų53.950%0.50328%0.283SS..  trans-83.597.7179.5-63.9177.8000110.9V53 M59 L60V53-L56 HydrophobicContact CB-CD1 4.12Å; V53-L56 HydrophobicContact CB-CG 4.24Å; V53-L56 HydrophobicContact CG1-CD1 4.07Å; V53-L56 HydrophobicContact CG1-CD2 4.26Å; V53-L56 HydrophobicContact CG1-CG 3.76Å; V53-L56 PolarHBondContact O-N 3.25Å; L56-M59 PolarHBondContact O-N 2.97Å; L56-L60 PolarHBondContact O-N 3.37Å
57T84.7Confident89.2Confident81 Ų8153.9 Ų53.950%0.49728%0.283SS..Hα-helixtrans-51.5-42.6-179.3-37.30000114.3N55 M59 L60 E61N55-T57 PolarHBondContact O-N 2.69Å; T57-M59 VanDerWaalsContact C-N 3.32Å; T57-M59 PolarHBondContact O-N 2.88Å; T57-L60 PolarHBondContact O-N 2.81Å; T57-E61 HydrophobicContact CG2-CG 4.34Å; T57-E61 WeakPolarHBondContact O-CG 3.14Å; T57-E61 PolarHBondContact O-N 2.91Å
58P89.9Confident89Confident78 Ų7856.5 Ų56.551%0.50630%0.297SS..Hα-helixtrans-61.9-37.5-177.2-24.735.1000113.8T62P58-T62 PolarHBondContact O-N 3.37Å; P58-T62 VanDerWaalsContact O-N 3.11Å; P58-T62 PolarHBondContact O-OG1 2.87Å
59M90.9Very high89Confident73 Ų7359.5 Ų59.536%0.3632%0.318SS..Hα-helixtrans-72.1-40179.4-62.3-58.2113.800110.6F50 L56 T57 T62 A63 L173F50-M59 HydrophobicContact CE1-CB 3.83Å; F50-M59 HydrophobicContact CZ-CB 3.89Å; L56-M59 PolarHBondContact O-N 2.97Å; T57-M59 VanDerWaalsContact C-N 3.32Å; T57-M59 PolarHBondContact O-N 2.88Å; M59-T62 PolarHBondContact O-N 2.91Å; M59-A63 WeakPolarHBondContact O-CB 3.34Å; M59-A63 PolarHBondContact O-N 2.87Å; M59-L173 HydrophobicContact CB-CD1 4.41Å; M59-L173 HydrophobicContact CG-CD1 4.21Å; M59-L173 HydrophobicContact SD-CD1 3.63Å; M59-L173 HydrophobicContact SD-CD2 4.3Å
60L92.1Very high89Confident19 Ų1961.4 Ų61.410%0.09933%0.325CS..Hα-helixtrans-61.8-44.3174.8177.762.8000112L49 F50 L56 T57 T62 A63 L64 I100L49-L60 HydrophobicContact CD1-CD1 3.77Å; F50-L60 HydrophobicContact CE2-CB 4.1Å; F50-L60 HydrophobicContact CE2-CD1 4.1Å; F50-L60 HydrophobicContact CZ-CB 4.48Å; L56-L60 PolarHBondContact O-N 3.37Å; T57-L60 PolarHBondContact O-N 2.81Å; L60-T62 VanDerWaalsContact C-N 3.35Å; L60-T62 PolarHBondContact O-N 3.3Å; L60-A63 PolarHBondContact O-N 2.94Å; L60-L64 HydrophobicContact CD1-CD1 4.05Å; L60-L64 HydrophobicContact CD1-CG 4.08Å; L60-L64 HydrophobicContact CG-CD1 3.98Å; L60-L64 HydrophobicContact CG-CG 4.41Å; L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.24Å; L60-L64 PolarHBondContact O-N 3.22Å; L60-I100 HydrophobicContact CD2-CD1 3.66Å; L60-I100 HydrophobicContact CD2-CG1 3.78Å; L60-I100 HydrophobicContact CD2-CG2 4.45Å
61E92.6Very high89Confident127 Ų12761.3 Ų61.359%0.59333%0.326SS*.Hα-helixtrans-61.6-43.9177.5-74175.7-178.700111.7T57 L64 Y65T57-E61 HydrophobicContact CG2-CG 4.34Å; T57-E61 WeakPolarHBondContact O-CG 3.14Å; T57-E61 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 3.35Å; E61-Y65 PolarHBondContact O-N 3.26Å
62T94Very high89.2Confident60 Ų6064.9 Ų64.937%0.36835%0.35SS..Hα-helixtrans-61.6-48.1176.5-55.50000110.8P58 M59 L60 L64 Y65 H66 F169P58-T62 PolarHBondContact O-N 3.37Å; P58-T62 VanDerWaalsContact O-N 3.11Å; P58-T62 PolarHBondContact O-OG1 2.87Å; M59-T62 PolarHBondContact O-N 2.91Å; L60-T62 VanDerWaalsContact C-N 3.35Å; L60-T62 PolarHBondContact O-N 3.3Å; T62-L64 PolarHBondContact O-N 3.31Å; T62-Y65 WeakPolarHBondContact O-CB 3.33Å; T62-Y65 PolarHBondContact O-N 3.07Å; T62-H66 PolarHBondContact O-CD2 3.36Å; T62-H66 PolarHBondContact O-N 3.24Å; T62-H66 VanDerWaalsContact O-N 3.14Å; T62-F169 HydrophobicContact CG2-CZ 4.34Å
63A94.9Very high90.1Very high0 Ų067.3 Ų67.30%036%0.363CS..Hα-helixtrans-61-44.7178.400000112.1L49 F50 M59 L60 Y65 H66 I67 F169L49-A63 HydrophobicContact CD2-CB 3.51Å; F50-A63 HydrophobicContact CZ-CB 4.16Å; M59-A63 WeakPolarHBondContact O-CB 3.34Å; M59-A63 PolarHBondContact O-N 2.87Å; L60-A63 PolarHBondContact O-N 2.94Å; A63-Y65 VanDerWaalsContact C-N 3.3Å; A63-Y65 PolarHBondContact O-N 3.1Å; A63-H66 PolarHBondContact O-N 2.85Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 3.39Å; A63-F169 HydrophobicContact CB-CD1 3.69Å; A63-F169 HydrophobicContact CB-CD2 4.14Å; A63-F169 HydrophobicContact CB-CE1 3.67Å; A63-F169 HydrophobicContact CB-CE2 4.14Å; A63-F169 HydrophobicContact CB-CG 3.92Å; A63-F169 HydrophobicContact CB-CZ 3.9Å
64L95.1Very high91.2Very high38 Ų3868.9 Ų68.920%0.19936%0.362CS..Hα-helixtrans-62-37.2177-74.5174.1000112.1I30 L60 E61 T62 I67 D68 I78 L104I30-L64 HydrophobicContact CD1-CD2 3.72Å; I30-L64 HydrophobicContact CG1-CD2 3.98Å; L60-L64 HydrophobicContact CD1-CD1 4.05Å; L60-L64 HydrophobicContact CD1-CG 4.08Å; L60-L64 HydrophobicContact CG-CD1 3.98Å; L60-L64 HydrophobicContact CG-CG 4.41Å; L60-L64 WeakPolarHBondContact O-CB 3.25Å; L60-L64 VanDerWaalsContact O-CG 3.27Å; L60-L64 WeakPolarHBondContact O-CG 3.24Å; L60-L64 PolarHBondContact O-N 3.22Å; E61-L64 PolarHBondContact O-N 3.35Å; T62-L64 PolarHBondContact O-N 3.31Å; L64-I67 PolarHBondContact O-N 2.89Å; L64-D68 VanDerWaalsContact O-CB 3.28Å; L64-D68 WeakPolarHBondContact O-CB 3.48Å; L64-D68 PolarHBondContact O-N 2.92Å; L64-I78 HydrophobicContact CD2-CD1 4.19Å; L64-L104 HydrophobicContact CD1-CD2 4.38Å; L64-L104 HydrophobicContact CD2-CD2 3.95Å
65Y95.5Very high92.4Very high171 Ų17171 Ų7167%0.67139%0.386SS*.Hα-helixtrans-61.4-46.6174.5178.8-96.1000112E61 T62 A63 D68 S69E61-Y65 PolarHBondContact O-N 3.26Å; T62-Y65 WeakPolarHBondContact O-CB 3.33Å; T62-Y65 PolarHBondContact O-N 3.07Å; A63-Y65 VanDerWaalsContact C-N 3.3Å; A63-Y65 PolarHBondContact O-N 3.1Å; Y65-D68 PolarHBondContact O-N 3.3Å; Y65-S69 PolarHBondContact O-N 3Å; Y65-S69 VanDerWaalsContact O-N 3.14Å
66H96.1Very high93.5Very high86 Ų8668.1 Ų68.140%0.39837%0.37SS..Hα-helixtrans-62.4-43.8176.6-76.8-76.3000112.1T62 A63 S69 Y70 F180T62-H66 PolarHBondContact O-CD2 3.36Å; T62-H66 PolarHBondContact O-N 3.24Å; T62-H66 VanDerWaalsContact O-N 3.14Å; A63-H66 PolarHBondContact O-N 2.85Å; H66-S69 PolarHBondContact O-N 3.45Å; H66-Y70 WeakPolarHBondContact O-CB 3.34Å; H66-Y70 PolarHBondContact O-N 3.34Å; H66-F180 HydrophobicContact CB-CZ 4.12Å
67I97.3Very high94.4Very high0 Ų065.6 Ų65.60%036%0.356CS..Hα-helixtrans-64-42.2178.9-67.2170.1000110.8I30 L32 I47 L49 A63 L64 S69 Y70 C71 I78 F180I30-I67 HydrophobicContact CB-CD1 4.07Å; I30-I67 HydrophobicContact CG1-CD1 3.79Å; I30-I67 HydrophobicContact CG2-CG2 4.35Å; L32-I67 HydrophobicContact CD2-CG2 4.12Å; I47-I67 HydrophobicContact CB-CD1 4.18Å; I47-I67 HydrophobicContact CD1-CB 4.46Å; I47-I67 HydrophobicContact CD1-CD1 4.24Å; I47-I67 HydrophobicContact CD1-CG1 3.81Å; I47-I67 HydrophobicContact CD1-CG2 4.03Å; I47-I67 HydrophobicContact CG2-CD1 3.82Å; I47-I67 HydrophobicContact CG2-CG1 4.19Å; L49-I67 HydrophobicContact CD2-CD1 3.79Å; A63-I67 VanDerWaalsContact O-CG1 3.26Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 3.39Å; L64-I67 PolarHBondContact O-N 2.89Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 3.14Å; I67-Y70 WeakPolarHBondContact O-CB 3.38Å; I67-Y70 PolarHBondContact O-N 2.9Å; I67-C71 VanDerWaalsContact O-CB 3.31Å; I67-C71 WeakPolarHBondContact O-CB 3.41Å; I67-C71 PolarHBondContact O-N 2.78Å; I67-C71 PolarHBondContact O-SG 3.33Å; I67-I78 HydrophobicContact CG2-CD1 4.04Å; I67-I78 HydrophobicContact CG2-CG1 4.09Å; I67-F180 HydrophobicContact CG1-CE2 4.26Å
68D95.3Very high94.9Very high55 Ų5562.1 Ų62.129%0.29433%0.334SS..Hα-helixtrans-61.5-42.4178.8-157.558.9000112.1L64 Y65 C71 T72 K107L64-D68 VanDerWaalsContact O-CB 3.28Å; L64-D68 WeakPolarHBondContact O-CB 3.48Å; L64-D68 PolarHBondContact O-N 2.92Å; Y65-D68 PolarHBondContact O-N 3.3Å; D68-C71 PolarHBondContact O-N 3.22Å; D68-T72 WeakPolarHBondContact O-CB 3.41Å; D68-T72 PolarHBondContact O-N 3.07Å; D68-T72 PolarHBondContact O-OG1 3.27Å; D68-K107 IonicContact OD1-NZ 2.79Å; D68-K107 PolarHBondContact OD1-NZ 2.98Å; D68-K107 IonicContact OD2-NZ 2.73Å; D68-K107 PolarHBondContact OD2-NZ 2.82Å
69S96.7Very high95.2Very high64 Ų6458.6 Ų58.645%0.44831%0.312SS..Hα-helixtrans-64.2-43.9174.9-175.10000111.9Y65 H66 I67 T72 T73Y65-S69 PolarHBondContact O-N 3Å; Y65-S69 VanDerWaalsContact O-N 3.14Å; H66-S69 PolarHBondContact O-N 3.45Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 3.14Å; S69-T72 PolarHBondContact O-N 3.22Å; S69-T73 PolarHBondContact O-N 3.46Å; S69-T73 VanDerWaalsContact O-N 3.08Å; S69-T73 PolarHBondContact O-OG1 3.33Å
70Y97.2Very high95.5Very high39 Ų3955.1 Ų55.115%0.15330%0.295CS..Hα-helixtrans-61-47.4175.2173.4-104.2000111.7L32 I47 H66 I67 T72 T73 K74 L76 L181L32-Y70 HydrophobicContact CD1-CD1 4.48Å; L32-Y70 HydrophobicContact CD1-CE1 4.22Å; I47-Y70 HydrophobicContact CD1-CD1 4.25Å; I47-Y70 HydrophobicContact CD1-CE1 4.48Å; H66-Y70 WeakPolarHBondContact O-CB 3.34Å; H66-Y70 PolarHBondContact O-N 3.34Å; I67-Y70 WeakPolarHBondContact O-CB 3.38Å; I67-Y70 PolarHBondContact O-N 2.9Å; Y70-T72 PolarHBondContact O-N 3.43Å; Y70-T73 PolarHBondContact O-N 3.33Å; Y70-K74 HydrophobicContact CD2-CG 4.06Å; Y70-K74 HydrophobicContact CE1-CG 4.33Å; Y70-K74 HydrophobicContact CE2-CD 4.38Å; Y70-K74 HydrophobicContact CE2-CG 3.59Å; Y70-K74 PolarHBondContact O-N 2.94Å; Y70-L76 HydrophobicContact CE1-CD1 3.81Å; Y70-L181 HydrophobicContact CD1-CD2 4.12Å; Y70-L181 HydrophobicContact CD2-CD1 3.65Å; Y70-L181 HydrophobicContact CD2-CD2 4.31Å; Y70-L181 HydrophobicContact CE1-CD2 4.35Å; Y70-L181 HydrophobicContact CE2-CD1 3.78Å; Y70-L181 HydrophobicContact CG-CD1 4.23Å; Y70-L181 HydrophobicContact CG-CD2 4.09Å
71C96.3Very high95.7Very high4 Ų454.3 Ų54.33%0.02729%0.29CS..Hα-helixtrans-57-49.6177.5-79.60000111.6L32 I67 D68 T73 K74 G75 L76L32-C71 VanDerWaalsContact CD2-SG 3.59Å; I67-C71 VanDerWaalsContact O-CB 3.31Å; I67-C71 WeakPolarHBondContact O-CB 3.41Å; I67-C71 PolarHBondContact O-N 2.78Å; I67-C71 PolarHBondContact O-SG 3.33Å; D68-C71 PolarHBondContact O-N 3.22Å; C71-T73 VanDerWaalsContact C-N 3.28Å; C71-T73 PolarHBondContact O-N 3.32Å; C71-K74 CarbonylContact O-C 3.59Å; C71-K74 PolarHBondContact O-N 3.32Å; C71-K74 VanDerWaalsContact O-N 3.15Å; C71-G75 PolarHBondContact O-N 3.23Å; C71-L76 CarbonylContact C-O 3.51Å; C71-L76 HydrophobicContact CB-CB 4.32Å; C71-L76 VanDerWaalsContact CB-O 3.32Å; C71-L76 WeakPolarHBondContact CB-O 3.35Å; C71-L76 PolarHBondContact O-N 2.8Å
72T95.2Very high95.9Very high109 Ų10948.3 Ų48.367%0.66926%0.262SS*.Hα-helixtrans-56.7-42.9177.1-57.20000111.7D68 S69 Y70 K74D68-T72 WeakPolarHBondContact O-CB 3.41Å; D68-T72 PolarHBondContact O-N 3.07Å; D68-T72 PolarHBondContact O-OG1 3.27Å; S69-T72 PolarHBondContact O-N 3.22Å; Y70-T72 PolarHBondContact O-N 3.43Å; T72-K74 PolarHBondContact O-N 2.95Å
73T96.2Very high95.9Very high109 Ų10945.9 Ų45.967%0.66925%0.246SC*.Hα-helixtrans-70.2-32-179-55.70000112.8S69 Y70 C71S69-T73 PolarHBondContact O-N 3.46Å; S69-T73 VanDerWaalsContact O-N 3.08Å; S69-T73 PolarHBondContact O-OG1 3.33Å; Y70-T73 PolarHBondContact O-N 3.33Å; C71-T73 VanDerWaalsContact C-N 3.28Å; C71-T73 PolarHBondContact O-N 3.32Å
74K95.8Very high95.8Very high129 Ų12946 Ų4656%0.56125%0.247SC*.Hα-helixtrans-97.3-3.8-177-65.9-60.9-175.2-1770114.4Y70 C71 T72 L76Y70-K74 HydrophobicContact CD2-CG 4.06Å; Y70-K74 HydrophobicContact CE1-CG 4.33Å; Y70-K74 HydrophobicContact CE2-CD 4.38Å; Y70-K74 HydrophobicContact CE2-CG 3.59Å; Y70-K74 PolarHBondContact O-N 2.94Å; C71-K74 CarbonylContact O-C 3.59Å; C71-K74 PolarHBondContact O-N 3.32Å; C71-K74 VanDerWaalsContact O-N 3.15Å; T72-K74 PolarHBondContact O-N 2.95Å; K74-L76 HydrophobicContact CB-CD1 3.9Å; K74-L76 HydrophobicContact CB-CG 3.83Å
75G95Very high95.5Very high55 Ų5544.9 Ų44.957%0.56724%0.242SC*.THydrogen-bonded Turntrans66.130.8-171.800000112.4C71C71-G75 PolarHBondContact O-N 3.23Å
76L96Very high94.8Very high37 Ų3742.7 Ų42.719%0.19424%0.237CC..  trans-101.7170.9174.2-57.1173.4000109.7L32 S33 D34 Y70 C71 K74L32-L76 HydrophobicContact CD1-CD1 4.06Å; S33-L76 CarbonylContact O-C 3.59Å; S33-L76 WeakPolarHBondContact O-CA 3.34Å; D34-L76 HydrophobicContact CB-CD2 3.78Å; Y70-L76 HydrophobicContact CE1-CD1 3.81Å; C71-L76 CarbonylContact C-O 3.51Å; C71-L76 HydrophobicContact CB-CB 4.32Å; C71-L76 VanDerWaalsContact CB-O 3.32Å; C71-L76 WeakPolarHBondContact CB-O 3.35Å; C71-L76 PolarHBondContact O-N 2.8Å; K74-L76 HydrophobicContact CB-CD1 3.9Å; K74-L76 HydrophobicContact CB-CG 3.83Å
77Q95.5Very high94.1Very high43 Ų4345 Ų4520%0.20125%0.248CC..EExtended strand (participates in β ladder)trans-144.9156.2175.156.61731.600111.6L32 S33 Q35 N36L32-Q77 CarbonylContact C-O 3.59Å; L32-Q77 VanDerWaalsContact CA-O 3.27Å; L32-Q77 WeakPolarHBondContact CA-O 3.34Å; S33-Q77 PolarHBondContact N-O 2.98Å; S33-Q77 WeakPolarHBondContact O-CG 3.18Å; S33-Q77 PolarHBondContact O-N 3.15Å; Q35-Q77 VanDerWaalsContact C-NE2 3.29Å; Q35-Q77 PolarHBondContact O-NE2 3.34Å; N36-Q77 PolarHBondContact ND2-OE1 3.39Å; N36-Q77 VanDerWaalsContact OD1-CD 3.23Å; N36-Q77 PolarHBondContact OD1-NE2 2.93Å; N36-Q77 PolarHBondContact OD1-OE1 3.26Å
78I96.3Very high92.9Very high8 Ų848.7 Ų48.74%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-77122.9172.8-60.4173.9000108.6I30 L32 L64 I67 L104 I111I30-I78 HydrophobicContact CG2-CB 4.2Å; I30-I78 HydrophobicContact CG2-CD1 4.18Å; I30-I78 HydrophobicContact CG2-CG1 3.83Å; I30-I78 HydrophobicContact CG2-CG2 3.55Å; L32-I78 HydrophobicContact CD2-CG1 4.07Å; L64-I78 HydrophobicContact CD2-CD1 4.19Å; I67-I78 HydrophobicContact CG2-CD1 4.04Å; I67-I78 HydrophobicContact CG2-CG1 4.09Å; I78-L104 HydrophobicContact CG2-CD1 4.39Å; I78-L104 HydrophobicContact CG2-CD2 4.18Å; I78-I111 HydrophobicContact CG2-CD1 4.21Å; I78-I111 VanDerWaalsContact O-CD1 3.3Å; I78-I111 WeakPolarHBondContact O-CD1 3.42Å
79C95.7Very high91.9Very high5 Ų552.8 Ų52.83%0.03429%0.289CS..EExtended strand (participates in β ladder)trans-120.7-2.7-179.174.10000113.4L31 I41 I111 C112L31-C79 PolarHBondContact O-N 3.21Å; I41-C79 HydrophobicContact CG2-CB 3.97Å; C79-I111 VanDerWaalsContact C-CD1 3.41Å; C79-I111 WeakPolarHBondContact O-CA 3.2Å; C79-C112 PolarHBondContact O-N 2.72Å; C79-C112 VanDerWaalsContact O-N 3.07Å
80G96.2Very high91.1Very high0 Ų052 Ų520%028%0.283CS..EExtended strand (participates in β ladder)trans-174.1170.9-17700000115.1L31 C112L31-G80 PolarHBondContact N-O 3.14Å; L31-G80 PolarHBondContact O-N 3.25Å; G80-C112 CarbonylContact C-O 3.06Å; G80-C112 WeakPolarHBondContact CA-O 3.41Å
81Y96.9Very high90.4Very high2 Ų252.1 Ų52.11%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-126.8137171.6174.1-94.5000109.9N28 G29 I30 Q83 A97 I100 C112 L113 L114N28-Y81 HydrophobicContact CB-CE2 4.01Å; N28-Y81 WeakPolarHBondContact CB-OH 3.46Å; N28-Y81 PolarHBondContact ND2-OH 2.72Å; G29-Y81 WeakPolarHBondContact O-CD2 3.27Å; I30-Y81 HydrophobicContact CD1-CD2 4.05Å; Y81-Q83 HydrophobicContact CE1-CB 3.93Å; Y81-A97 HydrophobicContact CD1-CB 4.03Å; Y81-A97 HydrophobicContact CE1-CB 3.51Å; Y81-I100 HydrophobicContact CD2-CG2 3.7Å; Y81-I100 HydrophobicContact CE2-CD1 3.93Å; Y81-I100 HydrophobicContact CE2-CG2 3.95Å; Y81-I100 HydrophobicContact CG-CG2 4.17Å; Y81-C112 PolarHBondContact N-O 2.7Å; Y81-L113 HydrophobicContact CD1-CD2 3.98Å; Y81-L113 HydrophobicContact CG-CD2 4.33Å; Y81-L113 WeakPolarHBondContact O-CA 3.37Å; Y81-L114 PolarHBondContact O-N 3.42Å
82F96.6Very high89.9Confident0 Ų056 Ų560%031%0.31CS..EExtended strand (participates in β ladder)trans-108.5142.1178.6172.1-102.1000111.2M15 V27 N28 G29 L31 Y46 A84 L114 F116 F129M15-F82 HydrophobicContact CB-CD2 4.43Å; M15-F82 HydrophobicContact CB-CE1 4.41Å; M15-F82 HydrophobicContact CB-CE2 4.02Å; M15-F82 HydrophobicContact CB-CZ 3.99Å; M15-F82 HydrophobicContact CG-CD1 4.41Å; M15-F82 HydrophobicContact CG-CD2 4.01Å; M15-F82 HydrophobicContact CG-CE2 4.12Å; M15-F82 HydrophobicContact CG-CG 4.13Å; M15-F82 HydrophobicContact CG-CZ 4.35Å; M15-F82 HydrophobicContact SD-CB 4.3Å; M15-F82 HydrophobicContact SD-CD2 3.43Å; M15-F82 WeakPolarHBondContact SD-CD2 3.21Å; M15-F82 HydrophobicContact SD-CE2 3.82Å; M15-F82 HydrophobicContact SD-CG 3.92Å; V27-F82 HydrophobicContact CG2-CE1 4.06Å; N28-F82 CarbonylContact C-O 3.53Å; N28-F82 WeakPolarHBondContact CA-O 3.26Å; N28-F82 VanDerWaalsContact CB-O 3.3Å; N28-F82 WeakPolarHBondContact CB-O 3.26Å; G29-F82 PolarHBondContact N-O 3.49Å; G29-F82 PolarHBondContact O-N 3.12Å; L31-F82 HydrophobicContact CD2-CB 4.27Å; L31-F82 HydrophobicContact CG-CB 4.38Å; Y46-F82 HydrophobicContact CD2-CB 4.28Å; Y46-F82 HydrophobicContact CE2-CB 3.7Å; Y46-F82 AromaticContact CE2-CD1 3.78Å; Y46-F82 HydrophobicContact CE2-CD1 3.78Å; Y46-F82 AromaticContact CE2-CG 3.98Å; Y46-F82 HydrophobicContact CE2-CG 3.98Å; Y46-F82 AromaticContact CZ-CD1 3.69Å; Y46-F82 VanDerWaalsContact OH-CD1 3.32Å; Y46-F82 WeakPolarHBondContact OH-CD1 3.33Å; F82-A84 HydrophobicContact CE1-CB 4.39Å; F82-A84 HydrophobicContact CZ-CB 4.25Å; F82-L114 CarbonylContact C-O 3.56Å; F82-L114 VanDerWaalsContact CA-O 3.28Å; F82-L114 WeakPolarHBondContact CA-O 3.44Å; F82-L114 HydrophobicContact CD2-CB 4.43Å; F82-L114 HydrophobicContact CD2-CD2 3.53Å; F82-L114 HydrophobicContact CE2-CD2 3.92Å; F82-F116 HydrophobicContact CE2-CB 3.75Å; F82-F116 HydrophobicContact CZ-CB 3.68Å; F82-F116 HydrophobicContact CZ-CG 4.33Å; F82-F129 HydrophobicContact CE2-CD1 4.16Å; F82-F129 AromaticContact CE2-CE1 3.9Å; F82-F129 HydrophobicContact CE2-CE1 3.9Å
83Q94.4Very high89.6Confident9 Ų951.7 Ų51.74%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-141.1132.7170.8-166.4-176.20.800111.3V27 Y81 N85 S94 L114 T115 F116V27-Q83 CarbonylContact O-C 3.5Å; V27-Q83 WeakPolarHBondContact O-CA 3.46Å; Y81-Q83 HydrophobicContact CE1-CB 3.93Å; Q83-N85 VanDerWaalsContact CD-OD1 3.31Å; Q83-N85 PolarHBondContact NE2-OD1 3.45Å; Q83-S94 PolarHBondContact NE2-OG 2.86Å; Q83-S94 PolarHBondContact OE1-OG 3.21Å; Q83-S94 VanDerWaalsContact OE1-OG 3.06Å; Q83-L114 PolarHBondContact N-O 2.9Å; Q83-T115 CarbonylContact O-C 3.56Å; Q83-T115 WeakPolarHBondContact O-CA 3.36Å; Q83-F116 PolarHBondContact O-N 2.74Å
84A92.5Very high89.3Confident2 Ų248.2 Ų48.22%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-106.6125.2157.100000108A19 S26 V27 F82 F116A19-A84 HydrophobicContact CB-CB 4.34Å; S26-A84 CarbonylContact C-O 3.49Å; S26-A84 WeakPolarHBondContact CA-O 3.49Å; S26-A84 WeakPolarHBondContact CB-O 3.38Å; V27-A84 HydrophobicContact CG2-CB 3.56Å; V27-A84 PolarHBondContact N-O 3.4Å; V27-A84 PolarHBondContact O-N 2.97Å; F82-A84 HydrophobicContact CE1-CB 4.39Å; F82-A84 HydrophobicContact CZ-CB 4.25Å; A84-F116 HydrophobicContact CB-CB 3.7Å; A84-F116 HydrophobicContact CB-CD1 4.13Å; A84-F116 HydrophobicContact CB-CG 4.39Å
85N87.9Confident89Confident16 Ų1648.6 Ų48.69%0.08627%0.272CS..  trans-78.9161.2175.9-69.4-49000110.1Q83 C90 T92 N118Q83-N85 VanDerWaalsContact CD-OD1 3.31Å; Q83-N85 PolarHBondContact NE2-OD1 3.45Å; N85-C90 HydrophobicContact CB-CB 3.98Å; N85-C90 WeakPolarHBondContact CB-O 3.4Å; N85-C90 PolarHBondContact ND2-O 3.2Å; N85-C90 PolarHBondContact ND2-SG 3.31Å; N85-T92 PolarHBondContact ND2-O 2.93Å; N85-N118 PolarHBondContact O-ND2 3.27Å
86E82.2Confident88.7Confident124 Ų12448.9 Ų48.958%0.57926%0.26SS*.SBendtrans-69.5-41.6176.4-173.8-177.3168.500111.8
87H80.5Confident88.5Confident135 Ų13547.1 Ų47.163%0.62525%0.251SS*.SBendtrans-80.4129.6-178.4-70.4-58.3000112.9N89 C90H87-N89 PolarHBondContact O-N 3.35Å; H87-C90 HydrophobicContact CB-CB 4.09Å; H87-C90 PolarHBondContact O-N 2.74Å
88I72.3Confident88.4Confident77 Ų7746.4 Ų46.440%0.39525%0.25SS..THydrogen-bonded Turntrans-57.2-26.5-177.2-162.9162.2000115.2N118 D119I88-N118 HydrophobicContact CB-CB 4.48Å; I88-N118 HydrophobicContact CG1-CB 4.07Å; I88-D119 HydrophobicContact CD1-CB 3.99Å; I88-D119 HydrophobicContact CG1-CB 3.81Å
89N75.2Confident88.2Confident142 Ų14252.9 Ų52.976%0.75928%0.278SS*.THydrogen-bonded Turntrans-96.4-4-178.4-63.9-29.7000113.3H87 N91H87-N89 PolarHBondContact O-N 3.35Å; N89-N91 PolarHBondContact O-N 2.87Å
90C79.6Confident88.1Confident48 Ų4853.4 Ų53.432%0.32428%0.281SS..  trans-93.989.2-176.4-165.90000110N85 H87N85-C90 HydrophobicContact CB-CB 3.98Å; N85-C90 WeakPolarHBondContact CB-O 3.4Å; N85-C90 PolarHBondContact ND2-O 3.2Å; N85-C90 PolarHBondContact ND2-SG 3.31Å; H87-C90 HydrophobicContact CB-CB 4.09Å; H87-C90 PolarHBondContact O-N 2.74Å
91N81.6Confident88Confident41 Ų4153.4 Ų53.422%0.21928%0.281CS..  trans-102.310.6-176.8-61.5-40.3000113.5N89 T115 K117N89-N91 PolarHBondContact O-N 2.87Å; N91-T115 PolarHBondContact O-OG1 2.66Å; N91-K117 HydrophobicContact CB-CG 4.4Å; N91-K117 WeakPolarHBondContact OD1-CA 3.25Å
92T87.4Confident87.8Confident84 Ų8456.9 Ų56.952%0.51530%0.297SS..SBendtrans-103.1150.6178.953.10000111.3N85 S94N85-T92 PolarHBondContact ND2-O 2.93Å; T92-S94 PolarHBondContact O-N 3.43Å
93P87.5Confident87.7Confident20 Ų2063 Ų6313%0.1332%0.323CS..PPolyproline II helixtrans-62.4138.5176.6-16.429.8000110.1A97 L113 T115 F132P93-A97 HydrophobicContact CB-CB 4.07Å; P93-L113 HydrophobicContact CB-CD1 3.99Å; P93-L113 HydrophobicContact CG-CB 4.35Å; P93-L113 HydrophobicContact CG-CD1 4.14Å; P93-T115 HydrophobicContact CB-CG2 4.32Å; P93-T115 HydrophobicContact CG-CG2 4.01Å; P93-F132 VanDerWaalsContact CD-CE2 3.46Å; P93-F132 HydrophobicContact CG-CD2 3.57Å; P93-F132 HydrophobicContact CG-CE2 3.73Å; P93-F132 HydrophobicContact CG-CG 4.03Å; P93-F132 HydrophobicContact CG-CZ 4.28Å
94S89.6Confident87.6Confident35 Ų3563 Ų6325%0.24532%0.324CS..PPolyproline II helixtrans-67.3161.1170.565.80000111Q83 T92 I96 A97 C98Q83-S94 PolarHBondContact NE2-OG 2.86Å; Q83-S94 PolarHBondContact OE1-OG 3.21Å; Q83-S94 VanDerWaalsContact OE1-OG 3.06Å; T92-S94 PolarHBondContact O-N 3.43Å; S94-I96 PolarHBondContact O-N 3.04Å; S94-I96 VanDerWaalsContact O-N 3.1Å; S94-A97 WeakPolarHBondContact O-CB 3.46Å; S94-A97 PolarHBondContact O-N 2.79Å; S94-A97 PolarHBondContact OG-N 2.94Å; S94-A97 VanDerWaalsContact OG-N 3.09Å; S94-C98 PolarHBondContact O-N 2.88Å; S94-C98 PolarHBondContact O-SG 2.92Å
95N89.4Confident87.6Confident137 Ų13764 Ų6473%0.73333%0.332SS*.Hα-helixtrans-55.3-30.5172.9-72.2-10.4000112.4K99N95-K99 WeakPolarHBondContact O-CG 3.47Å; N95-K99 PolarHBondContact O-N 2.99Å; N95-K99 VanDerWaalsContact O-N 3.12Å
96I89.3Confident87.8Confident61 Ų6169.9 Ų69.931%0.31336%0.359SS..Hα-helixtrans-73.3-44.7178.9-62.5174.6000109.8N55 S94 C98 K99 I100N55-I96 HydrophobicContact CB-CD1 4.13Å; N55-I96 WeakPolarHBondContact ND2-CD1 3.32Å; N55-I96 WeakPolarHBondContact OD1-CD1 3.34Å; S94-I96 PolarHBondContact O-N 3.04Å; S94-I96 VanDerWaalsContact O-N 3.1Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.86Å; I96-K99 PolarHBondContact O-N 3.4Å; I96-I100 HydrophobicContact CG2-CD1 3.92Å; I96-I100 HydrophobicContact CG2-CG1 4.45Å; I96-I100 VanDerWaalsContact O-CG1 3.31Å; I96-I100 WeakPolarHBondContact O-CG1 3.44Å; I96-I100 PolarHBondContact O-N 2.85Å
97A92.1Very high88.2Confident1 Ų170.1 Ų70.11%0.00836%0.358CS..Hα-helixtrans-59.3-40.7172.700000112.5Y81 P93 S94 K99 I100 G101Y81-A97 HydrophobicContact CD1-CB 4.03Å; Y81-A97 HydrophobicContact CE1-CB 3.51Å; P93-A97 HydrophobicContact CB-CB 4.07Å; S94-A97 WeakPolarHBondContact O-CB 3.46Å; S94-A97 PolarHBondContact O-N 2.79Å; S94-A97 PolarHBondContact OG-N 2.94Å; S94-A97 VanDerWaalsContact OG-N 3.09Å; A97-K99 PolarHBondContact O-N 2.89Å; A97-I100 PolarHBondContact O-N 3.04Å; A97-G101 PolarHBondContact O-N 3.34Å
98C93.3Very high88.6Confident27 Ų2765.4 Ų65.418%0.18234%0.34CS..Hα-helixtrans-59.4-46.3174.2-69.40000111.9S94 I96 G101 E102S94-C98 PolarHBondContact O-N 2.88Å; S94-C98 PolarHBondContact O-SG 2.92Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.86Å; C98-G101 PolarHBondContact O-N 2.8Å; C98-E102 WeakPolarHBondContact O-CG 3.09Å; C98-E102 PolarHBondContact O-N 2.93Å
99K92.7Very high89.4Confident145 Ų14563.8 Ų63.863%0.6334%0.342SS*.Hα-helixtrans-64.2-42.7177.4-75.4-179.3177.8-174.60112.6N95 I96 A97 G101 E102 K103N95-K99 WeakPolarHBondContact O-CG 3.47Å; N95-K99 PolarHBondContact O-N 2.99Å; N95-K99 VanDerWaalsContact O-N 3.12Å; I96-K99 PolarHBondContact O-N 3.4Å; A97-K99 PolarHBondContact O-N 2.89Å; K99-G101 VanDerWaalsContact C-N 3.34Å; K99-E102 PolarHBondContact O-N 3.38Å; K99-K103 PolarHBondContact O-N 2.92Å
100I93.2Very high90Very high16 Ų1662.1 Ų62.18%0.08233%0.333CS..Hα-helixtrans-61.1-47.7175.5-65.9168.6000109.3L60 Y81 I96 A97 E102 K103 L104L60-I100 HydrophobicContact CD2-CD1 3.66Å; L60-I100 HydrophobicContact CD2-CG1 3.78Å; L60-I100 HydrophobicContact CD2-CG2 4.45Å; Y81-I100 HydrophobicContact CD2-CG2 3.7Å; Y81-I100 HydrophobicContact CE2-CD1 3.93Å; Y81-I100 HydrophobicContact CE2-CG2 3.95Å; Y81-I100 HydrophobicContact CG-CG2 4.17Å; I96-I100 HydrophobicContact CG2-CD1 3.92Å; I96-I100 HydrophobicContact CG2-CG1 4.45Å; I96-I100 VanDerWaalsContact O-CG1 3.31Å; I96-I100 WeakPolarHBondContact O-CG1 3.44Å; I96-I100 PolarHBondContact O-N 2.85Å; A97-I100 PolarHBondContact O-N 3.04Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 2.86Å; I100-K103 PolarHBondContact O-N 2.85Å; I100-K103 VanDerWaalsContact O-N 3.15Å; I100-L104 HydrophobicContact CG2-CD1 3.89Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.42Å; I100-L104 PolarHBondContact O-N 3.44Å
101G93.9Very high90.7Very high0 Ų060.2 Ų60.20%032%0.319CS..Hα-helixtrans-57.8-40.7176.600000113.3A97 C98 K99 L104 A105A97-G101 PolarHBondContact O-N 3.34Å; C98-G101 PolarHBondContact O-N 2.8Å; K99-G101 VanDerWaalsContact C-N 3.34Å; G101-L104 PolarHBondContact O-N 3.38Å; G101-A105 VanDerWaalsContact O-CB 3.28Å; G101-A105 WeakPolarHBondContact O-CB 3.5Å; G101-A105 PolarHBondContact O-N 2.95Å
102E93.1Very high91.3Very high74 Ų7458.2 Ų58.235%0.34631%0.309SS..Hα-helixtrans-62.1-45.5174.9-75.9170.1177.900111.8C98 K99 I100 A105 E106 W139C98-E102 WeakPolarHBondContact O-CG 3.09Å; C98-E102 PolarHBondContact O-N 2.93Å; K99-E102 PolarHBondContact O-N 3.38Å; I100-E102 VanDerWaalsContact C-N 3.31Å; I100-E102 PolarHBondContact O-N 2.86Å; E102-A105 PolarHBondContact O-N 3.49Å; E102-E106 WeakPolarHBondContact O-CG 3.38Å; E102-E106 PolarHBondContact O-N 3.09Å; E102-W139 HydrophobicContact CG-CZ2 4.46Å
103K93.4Very high91.7Very high129 Ų12954.3 Ų54.356%0.56128%0.284SS*.Hα-helixtrans-66-38.6176.9-70.5-48.3-170.4-168.30113.4K99 I100 A105 E106 K107K99-K103 PolarHBondContact O-N 2.92Å; I100-K103 PolarHBondContact O-N 2.85Å; I100-K103 VanDerWaalsContact O-N 3.15Å; K103-A105 VanDerWaalsContact C-N 3.34Å; K103-E106 VanDerWaalsContact CD-OE2 3.3Å; K103-E106 WeakPolarHBondContact CD-OE2 3.19Å; K103-E106 VanDerWaalsContact NZ-CD 3.26Å; K103-E106 IonicContact NZ-OE1 3.49Å; K103-E106 PolarHBondContact NZ-OE1 3.06Å; K103-E106 IonicContact NZ-OE2 3.92Å; K103-E106 PolarHBondContact NZ-OE2 3.18Å; K103-K107 PolarHBondContact O-N 2.86Å
104L94Very high92.1Very high9 Ų953.4 Ų53.45%0.04728%0.279CS..Hα-helixtrans-64.9-40.6173-67.2174.8000111.1I30 L64 I78 I100 G101 K107 C108 I111I30-L104 HydrophobicContact CD1-CD1 4.06Å; L64-L104 HydrophobicContact CD1-CD2 4.38Å; L64-L104 HydrophobicContact CD2-CD2 3.95Å; I78-L104 HydrophobicContact CG2-CD1 4.39Å; I78-L104 HydrophobicContact CG2-CD2 4.18Å; I100-L104 HydrophobicContact CG2-CD1 3.89Å; I100-L104 HydrophobicContact CG2-CG 4.24Å; I100-L104 WeakPolarHBondContact O-CG 3.42Å; I100-L104 PolarHBondContact O-N 3.44Å; G101-L104 PolarHBondContact O-N 3.38Å; L104-K107 PolarHBondContact O-N 3.39Å; L104-C108 WeakPolarHBondContact O-CB 3.26Å; L104-C108 PolarHBondContact O-N 3.1Å; L104-C108 PolarHBondContact O-SG 3.12Å; L104-I111 HydrophobicContact CB-CD1 4.3Å; L104-I111 HydrophobicContact CB-CG1 3.97Å; L104-I111 HydrophobicContact CB-CG2 4.18Å
105A91.7Very high92.3Very high22 Ų2251.8 Ų51.818%0.18227%0.267CS..Hα-helixtrans-66.6-37.3179.400000112.7G101 E102 K103 K107 G109 I111G101-A105 VanDerWaalsContact O-CB 3.28Å; G101-A105 WeakPolarHBondContact O-CB 3.5Å; G101-A105 PolarHBondContact O-N 2.95Å; E102-A105 PolarHBondContact O-N 3.49Å; K103-A105 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 2.93Å; A105-G109 VanDerWaalsContact CA-O 3.3Å; A105-G109 WeakPolarHBondContact CA-O 3.48Å; A105-G109 WeakPolarHBondContact CB-O 3.36Å; A105-G109 WeakPolarHBondContact O-CA 3.49Å; A105-G109 PolarHBondContact O-N 3.5Å; A105-I111 HydrophobicContact CB-CB 4.23Å; A105-I111 HydrophobicContact CB-CG1 4.22Å
106E92Very high92.5Very high140 Ų14045.3 Ų45.365%0.65423%0.232SC*.Hα-helixtrans-57.5-37.9172.6-74.8171.5-162.400111.9E102 K103E102-E106 WeakPolarHBondContact O-CG 3.38Å; E102-E106 PolarHBondContact O-N 3.09Å; K103-E106 VanDerWaalsContact CD-OE2 3.3Å; K103-E106 WeakPolarHBondContact CD-OE2 3.19Å; K103-E106 VanDerWaalsContact NZ-CD 3.26Å; K103-E106 IonicContact NZ-OE1 3.49Å; K103-E106 PolarHBondContact NZ-OE1 3.06Å; K103-E106 IonicContact NZ-OE2 3.92Å; K103-E106 PolarHBondContact NZ-OE2 3.18Å
107K90.7Very high92.5Very high130 Ų13043.7 Ų43.757%0.56522%0.223SC*.Hα-helixtrans-88-41.4-177-172.8-176180-165.20113.5D68 K103 L104 A105D68-K107 IonicContact OD1-NZ 2.79Å; D68-K107 PolarHBondContact OD1-NZ 2.98Å; D68-K107 IonicContact OD2-NZ 2.73Å; D68-K107 PolarHBondContact OD2-NZ 2.82Å; K103-K107 PolarHBondContact O-N 2.86Å; L104-K107 PolarHBondContact O-N 3.39Å; A105-K107 PolarHBondContact O-N 2.93Å
108C89.6Confident92Very high36 Ų3644.9 Ų44.924%0.24323%0.229CC..Hα-helixtrans-112.9-6-164.9-49.70000113.3L104 I111L104-C108 WeakPolarHBondContact O-CB 3.26Å; L104-C108 PolarHBondContact O-N 3.1Å; L104-C108 PolarHBondContact O-SG 3.12Å; C108-I111 HydrophobicContact CB-CD1 3.84Å; C108-I111 HydrophobicContact CB-CG1 4.32Å
109G88.1Confident91.4Very high42 Ų4245 Ų4543%0.43323%0.228SC..SBendtrans83.4-122.3-178.100000112.9A105 I111A105-G109 VanDerWaalsContact CA-O 3.3Å; A105-G109 WeakPolarHBondContact CA-O 3.48Å; A105-G109 WeakPolarHBondContact CB-O 3.36Å; A105-G109 WeakPolarHBondContact O-CA 3.49Å; A105-G109 PolarHBondContact O-N 3.5Å; G109-I111 PolarHBondContact O-N 3.35Å; G109-I111 VanDerWaalsContact O-N 3.1Å
110N88.6Confident90.7Very high108 Ų10838.1 Ų38.158%0.57820%0.198SC*.SBendtrans-71.4106.4-174.4-75.4-18.9000111.2
111I92.9Very high89.7Confident7 Ų739.5 Ų39.54%0.03621%0.206CC..  trans-116.2141.3179.3-67.1-60000110.1I78 C79 L104 A105 C108 G109I78-I111 HydrophobicContact CG2-CD1 4.21Å; I78-I111 VanDerWaalsContact O-CD1 3.3Å; I78-I111 WeakPolarHBondContact O-CD1 3.42Å; C79-I111 VanDerWaalsContact C-CD1 3.41Å; C79-I111 WeakPolarHBondContact O-CA 3.2Å; L104-I111 HydrophobicContact CB-CD1 4.3Å; L104-I111 HydrophobicContact CB-CG1 3.97Å; L104-I111 HydrophobicContact CB-CG2 4.18Å; A105-I111 HydrophobicContact CB-CB 4.23Å; A105-I111 HydrophobicContact CB-CG1 4.22Å; C108-I111 HydrophobicContact CB-CD1 3.84Å; C108-I111 HydrophobicContact CB-CG1 4.32Å; G109-I111 PolarHBondContact O-N 3.35Å; G109-I111 VanDerWaalsContact O-N 3.1Å
112C94.9Very high88.7Confident0 Ų047.1 Ų47.10%024%0.241CC..EExtended strand (participates in β ladder)trans-104.9150167.567.90000112.4V5 I41 C79 G80 Y81 V131 F132V5-C112 HydrophobicContact CG2-CB 4.48Å; I41-C112 HydrophobicContact CD1-CB 3.9Å; C79-C112 PolarHBondContact O-N 2.72Å; C79-C112 VanDerWaalsContact O-N 3.07Å; G80-C112 CarbonylContact C-O 3.06Å; G80-C112 WeakPolarHBondContact CA-O 3.41Å; Y81-C112 PolarHBondContact N-O 2.7Å; C112-V131 HydrophobicContact CB-CG1 4.16Å; C112-F132 CarbonylContact C-O 3.57Å; C112-F132 WeakPolarHBondContact CA-O 3.31Å
113L96Very high87.8Confident1 Ų149.7 Ų49.71%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-102.4130.5163.9-61.1-179.4000108.6Y81 P93 V131 F132 W139Y81-L113 HydrophobicContact CD1-CD2 3.98Å; Y81-L113 HydrophobicContact CG-CD2 4.33Å; Y81-L113 WeakPolarHBondContact O-CA 3.37Å; P93-L113 HydrophobicContact CB-CD1 3.99Å; P93-L113 HydrophobicContact CG-CB 4.35Å; P93-L113 HydrophobicContact CG-CD1 4.14Å; L113-V131 CarbonylContact O-C 3.57Å; L113-V131 WeakPolarHBondContact O-CA 3.3Å; L113-F132 HydrophobicContact CB-CB 4.25Å; L113-F132 PolarHBondContact N-O 3.09Å; L113-F132 PolarHBondContact O-N 3.45Å; L113-W139 HydrophobicContact CB-CE3 4.42Å; L113-W139 HydrophobicContact CB-CZ3 4.44Å; L113-W139 HydrophobicContact CD1-CD2 3.55Å; L113-W139 HydrophobicContact CD1-CE3 3.8Å; L113-W139 HydrophobicContact CD1-CG 4.07Å; L113-W139 HydrophobicContact CD1-CH2 4.05Å; L113-W139 HydrophobicContact CD1-CZ2 3.81Å; L113-W139 HydrophobicContact CD1-CZ3 4.05Å; L113-W139 HydrophobicContact CD2-CH2 4.29Å; L113-W139 HydrophobicContact CG-CD2 4.09Å; L113-W139 HydrophobicContact CG-CE3 3.8Å; L113-W139 HydrophobicContact CG-CH2 3.75Å; L113-W139 HydrophobicContact CG-CZ2 4.03Å; L113-W139 HydrophobicContact CG-CZ3 3.63Å
114L95.9Very high86.9Confident1 Ų145.6 Ų45.61%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-123.2120.4-177.7-160.3132.8000109.2I7 M15 L31 I43 Y81 F82 Q83 F129 V131I7-L114 HydrophobicContact CD1-CD1 3.74Å; I7-L114 HydrophobicContact CG1-CD1 4.42Å; M15-L114 HydrophobicContact CE-CD2 4.03Å; M15-L114 HydrophobicContact SD-CD2 3.59Å; M15-L114 VanDerWaalsContact SD-CD2 3.59Å; L31-L114 HydrophobicContact CD1-CB 3.84Å; L31-L114 HydrophobicContact CD1-CD1 4.41Å; I43-L114 HydrophobicContact CD1-CD1 4.03Å; Y81-L114 PolarHBondContact O-N 3.42Å; F82-L114 CarbonylContact C-O 3.56Å; F82-L114 VanDerWaalsContact CA-O 3.28Å; F82-L114 WeakPolarHBondContact CA-O 3.44Å; F82-L114 HydrophobicContact CD2-CB 4.43Å; F82-L114 HydrophobicContact CD2-CD2 3.53Å; F82-L114 HydrophobicContact CE2-CD2 3.92Å; Q83-L114 PolarHBondContact N-O 2.9Å; L114-F129 HydrophobicContact CD2-CB 3.83Å; L114-F129 HydrophobicContact CD2-CD1 3.22Å; L114-F129 HydrophobicContact CD2-CD2 4.31Å; L114-F129 HydrophobicContact CD2-CE1 3.79Å; L114-F129 HydrophobicContact CD2-CG 3.53Å; L114-F129 HydrophobicContact CG-CB 4.08Å; L114-F129 HydrophobicContact CG-CD1 4.34Å; L114-F129 HydrophobicContact CG-CG 4.29Å; L114-V131 HydrophobicContact CD1-CG1 4.5Å; L114-V131 HydrophobicContact CD1-CG2 3.52Å; L114-V131 HydrophobicContact CG-CG2 3.94Å
115T94.5Very high85.8Confident1 Ų149.6 Ų49.61%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-107.9136.2177.556.80000111.2Q83 N91 P93 F129 T130 F132Q83-T115 CarbonylContact O-C 3.56Å; Q83-T115 WeakPolarHBondContact O-CA 3.36Å; N91-T115 PolarHBondContact O-OG1 2.66Å; P93-T115 HydrophobicContact CB-CG2 4.32Å; P93-T115 HydrophobicContact CG-CG2 4.01Å; T115-F129 CarbonylContact O-C 3.57Å; T115-F129 WeakPolarHBondContact O-CA 3.38Å; T115-T130 PolarHBondContact N-O 3.42Å; T115-T130 PolarHBondContact O-N 3.25Å; T115-T130 VanDerWaalsContact OG1-CB 3.31Å; T115-T130 WeakPolarHBondContact OG1-CB 3.5Å; T115-T130 PolarHBondContact OG1-O 2.82Å; T115-F132 HydrophobicContact CG2-CE2 4.47Å
116F93.3Very high85.2Confident1 Ų149.4 Ų49.40%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-81139174.3-170.8-126.3000111.6I16 A19 F82 Q83 A84 N118 L121 Y128 F129I16-F116 HydrophobicContact CD1-CE2 4.5Å; I16-F116 HydrophobicContact CG1-CE2 3.87Å; I16-F116 HydrophobicContact CG1-CZ 4.33Å; I16-F116 HydrophobicContact CG2-CZ 4.36Å; A19-F116 HydrophobicContact CB-CD1 3.78Å; A19-F116 HydrophobicContact CB-CE1 3.81Å; F82-F116 HydrophobicContact CE2-CB 3.75Å; F82-F116 HydrophobicContact CZ-CB 3.68Å; F82-F116 HydrophobicContact CZ-CG 4.33Å; Q83-F116 PolarHBondContact O-N 2.74Å; A84-F116 HydrophobicContact CB-CB 3.7Å; A84-F116 HydrophobicContact CB-CD1 4.13Å; A84-F116 HydrophobicContact CB-CG 4.39Å; F116-N118 WeakPolarHBondContact CD1-OD1 3.46Å; F116-L121 HydrophobicContact CE1-CD1 3.97Å; F116-L121 HydrophobicContact CE1-CD2 4.35Å; F116-L121 HydrophobicContact CE1-CG 3.78Å; F116-L121 HydrophobicContact CZ-CD1 4.36Å; F116-L121 HydrophobicContact CZ-CD2 3.94Å; F116-L121 HydrophobicContact CZ-CG 3.68Å; F116-Y128 WeakPolarHBondContact CD2-O 3.32Å; F116-F129 HydrophobicContact CB-CD1 4.46Å; F116-F129 AromaticContact CD2-CD1 3.78Å; F116-F129 HydrophobicContact CD2-CD1 3.78Å; F116-F129 AromaticContact CD2-CE1 3.5Å; F116-F129 HydrophobicContact CD2-CE1 3.5Å; F116-F129 VanDerWaalsContact CD2-CE1 3.5Å; F116-F129 HydrophobicContact CD2-CZ 4.37Å; F116-F129 HydrophobicContact CE2-CE1 4.15Å; F116-F129 HydrophobicContact CG-CE1 4.45Å
117K89.4Confident84.9Confident27 Ų2746.4 Ų46.412%0.11725%0.246CC..  trans-92.6100.3171.3-62.8-179.3178.3169.60108N91 D119 A120 N127 Y128 F129 T130N91-K117 HydrophobicContact CB-CG 4.4Å; N91-K117 WeakPolarHBondContact OD1-CA 3.25Å; K117-D119 WeakPolarHBondContact CB-OD1 3.39Å; K117-D119 PolarHBondContact O-N 2.94Å; K117-D119 VanDerWaalsContact O-N 3.11Å; K117-A120 HydrophobicContact CB-CB 4.19Å; K117-A120 WeakPolarHBondContact O-CA 3.24Å; K117-A120 WeakPolarHBondContact O-CB 3.44Å; K117-A120 PolarHBondContact O-N 3.36Å; K117-N127 PolarHBondContact NZ-ND2 2.65Å; K117-N127 PolarHBondContact NZ-OD1 3.47Å; K117-Y128 PolarHBondContact N-O 3.4Å; K117-F129 WeakPolarHBondContact CE-O 3.22Å; K117-F129 PolarHBondContact NZ-O 3.25Å; K117-T130 WeakPolarHBondContact CE-OG1 3.4Å
118N81.6Confident84.9Confident26 Ų2640.3 Ų40.314%0.13922%0.219CC..THydrogen-bonded Turntrans-59.1-30-173.3-65-10.3000113.1N85 I88 F116 A120 L121N85-N118 PolarHBondContact O-ND2 3.27Å; I88-N118 HydrophobicContact CB-CB 4.48Å; I88-N118 HydrophobicContact CG1-CB 4.07Å; F116-N118 WeakPolarHBondContact CD1-OD1 3.46Å; N118-A120 PolarHBondContact O-N 2.78Å; N118-L121 PolarHBondContact O-N 2.96Å
119D80Confident85.1Confident30 Ų3038.7 Ų38.716%0.1621%0.208CC..THydrogen-bonded Turntrans-68.4-13.9175.563.6-5000113.7I88 K117 L121 H122 R123I88-D119 HydrophobicContact CD1-CB 3.99Å; I88-D119 HydrophobicContact CG1-CB 3.81Å; K117-D119 WeakPolarHBondContact CB-OD1 3.39Å; K117-D119 PolarHBondContact O-N 2.94Å; K117-D119 VanDerWaalsContact O-N 3.11Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.97Å; D119-H122 PolarHBondContact O-N 3.4Å; D119-R123 VanDerWaalsContact CG-CZ 3.43Å; D119-R123 VanDerWaalsContact CG-NH1 3.25Å; D119-R123 PolarHBondContact O-N 3.42Å; D119-R123 IonicContact OD1-CZ 3.05Å; D119-R123 IonicContact OD1-NH2 2.7Å; D119-R123 PolarHBondContact OD1-NH2 2.59Å; D119-R123 IonicContact OD2-CZ 3.09Å; D119-R123 IonicContact OD2-NH1 3.36Å; D119-R123 PolarHBondContact OD2-NH1 3.34Å; D119-R123 IonicContact OD2-NH2 2.66Å; D119-R123 PolarHBondContact OD2-NH2 2.97Å
120A77.9Confident85.4Confident0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-70.6-25.4176.600000113.1K117 N118 H122 R123 L124 N127 Y128K117-A120 HydrophobicContact CB-CB 4.19Å; K117-A120 WeakPolarHBondContact O-CA 3.24Å; K117-A120 WeakPolarHBondContact O-CB 3.44Å; K117-A120 PolarHBondContact O-N 3.36Å; N118-A120 PolarHBondContact O-N 2.78Å; A120-H122 PolarHBondContact O-N 3.23Å; A120-R123 PolarHBondContact O-N 3.02Å; A120-L124 PolarHBondContact O-N 3.49Å; A120-N127 WeakPolarHBondContact CB-O 3.25Å; A120-Y128 HydrophobicContact CB-CD1 3.59Å; A120-Y128 HydrophobicContact CB-CE1 4.27Å; A120-Y128 HydrophobicContact CB-CG 4.26Å
121L71.5Confident85.7Confident46 Ų4631.9 Ų31.924%0.24116%0.162CC..Hα-helixtrans-59-36.3173.7-76.3173.9000111.9I16 A20 F116 N118 D119I16-L121 HydrophobicContact CG2-CD2 3.53Å; A20-L121 HydrophobicContact CB-CD2 4.42Å; F116-L121 HydrophobicContact CE1-CD1 3.97Å; F116-L121 HydrophobicContact CE1-CD2 4.35Å; F116-L121 HydrophobicContact CE1-CG 3.78Å; F116-L121 HydrophobicContact CZ-CD1 4.36Å; F116-L121 HydrophobicContact CZ-CD2 3.94Å; F116-L121 HydrophobicContact CZ-CG 3.68Å; N118-L121 PolarHBondContact O-N 2.96Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 2.97Å
122H73.6Confident85.8Confident160 Ų16032.5 Ų32.574%0.74116%0.164SC*.Hα-helixtrans-81.4-34.3-178.7-64.2-60.2000112.8D119 A120D119-H122 PolarHBondContact O-N 3.4Å; A120-H122 PolarHBondContact O-N 3.23Å
123R73.7Confident85.7Confident127 Ų12732.9 Ų32.948%0.47917%0.167SC..Hα-helixtrans-95.7-31.8-169.7-63.6-167.4-58.9-107.4-4.3114D119 A120 T125D119-R123 VanDerWaalsContact CG-CZ 3.43Å; D119-R123 VanDerWaalsContact CG-NH1 3.25Å; D119-R123 PolarHBondContact O-N 3.42Å; D119-R123 IonicContact OD1-CZ 3.05Å; D119-R123 IonicContact OD1-NH2 2.7Å; D119-R123 PolarHBondContact OD1-NH2 2.59Å; D119-R123 IonicContact OD2-CZ 3.09Å; D119-R123 IonicContact OD2-NH1 3.36Å; D119-R123 PolarHBondContact OD2-NH1 3.34Å; D119-R123 IonicContact OD2-NH2 2.66Å; D119-R123 PolarHBondContact OD2-NH2 2.97Å; A120-R123 PolarHBondContact O-N 3.02Å; R123-T125 HydrophobicContact CB-CG2 3.7Å; R123-T125 PolarHBondContact O-N 3.36Å; R123-T125 VanDerWaalsContact O-N 3.14Å
124L74.7Confident85.3Confident43 Ų4336.6 Ų36.623%0.22518%0.183CC..  trans47.939.5-175.7-56177.9000112.9A120 G126 Y128 L154 K155 L158A120-L124 PolarHBondContact O-N 3.49Å; L124-G126 PolarHBondContact O-N 3.18Å; L124-Y128 WeakPolarHBondContact CA-OH 3.43Å; L124-Y128 HydrophobicContact CD2-CE1 3.94Å; L124-L154 HydrophobicContact CD2-CD2 3.75Å; L124-L154 HydrophobicContact CD2-CG 4.36Å; L124-K155 HydrophobicContact CD1-CD 4.24Å; L124-K155 HydrophobicContact CD1-CG 3.54Å; L124-L158 HydrophobicContact CD2-CD1 4.4Å
125T72.2Confident84.7Confident93 Ų9339.1 Ų39.157%0.57120%0.2SC*.  trans-88.67.5-170.345.80000114.5R123 N127R123-T125 HydrophobicContact CB-CG2 3.7Å; R123-T125 PolarHBondContact O-N 3.36Å; R123-T125 VanDerWaalsContact O-N 3.14Å; T125-N127 VanDerWaalsContact C-N 3.34Å
126G78.1Confident84Confident19 Ų1945.8 Ų45.820%0.19624%0.236CC..SBendtrans87.6-5.7-178.300000115.2L124 Y128 F146L124-G126 PolarHBondContact O-N 3.18Å; G126-Y128 VanDerWaalsContact CA-CE2 3.44Å; G126-F146 WeakPolarHBondContact O-CE1 3.46Å; G126-F146 VanDerWaalsContact O-CZ 3.31Å; G126-F146 WeakPolarHBondContact O-CZ 3.02Å
127N85.7Confident83.4Confident77 Ų7756.4 Ų56.441%0.41228%0.276SS..  trans-114.593.4176.2-169.1-1.6000109.9K117 A120 T125 F129K117-N127 PolarHBondContact NZ-ND2 2.65Å; K117-N127 PolarHBondContact NZ-OD1 3.47Å; A120-N127 WeakPolarHBondContact CB-O 3.25Å; T125-N127 VanDerWaalsContact C-N 3.34Å; N127-F129 PolarHBondContact OD1-O 3.2Å
128Y91.6Very high83.4Confident1 Ų162.5 Ų62.50%0.00430%0.303CS..  trans-107.4-24.4-170.6-62.1-84.5000112.9F12 I16 F116 K117 A120 L124 G126 Y144 F146 N151 L154F12-Y128 HydrophobicContact CE1-CD2 4.3Å; F12-Y128 HydrophobicContact CE1-CE2 4.34Å; F12-Y128 HydrophobicContact CE2-CD2 4.01Å; F12-Y128 AromaticContact CZ-CD2 3.34Å; F12-Y128 HydrophobicContact CZ-CD2 3.34Å; F12-Y128 AromaticContact CZ-CE2 3.59Å; F12-Y128 HydrophobicContact CZ-CE2 3.59Å; F12-Y128 AromaticContact CZ-CG 3.89Å; F12-Y128 HydrophobicContact CZ-CG 3.89Å; I16-Y128 HydrophobicContact CD1-CD1 4.05Å; I16-Y128 HydrophobicContact CD1-CE1 4.47Å; I16-Y128 HydrophobicContact CD1-CG 4.38Å; F116-Y128 WeakPolarHBondContact CD2-O 3.32Å; K117-Y128 PolarHBondContact N-O 3.4Å; A120-Y128 HydrophobicContact CB-CD1 3.59Å; A120-Y128 HydrophobicContact CB-CE1 4.27Å; A120-Y128 HydrophobicContact CB-CG 4.26Å; L124-Y128 WeakPolarHBondContact CA-OH 3.43Å; L124-Y128 HydrophobicContact CD2-CE1 3.94Å; G126-Y128 VanDerWaalsContact CA-CE2 3.44Å; Y128-Y144 PolarHBondContact N-OH 3Å; Y128-F146 HydrophobicContact CD2-CZ 4.31Å; Y128-F146 HydrophobicContact CE2-CE2 4.5Å; Y128-F146 HydrophobicContact CE2-CZ 4.26Å; Y128-N151 WeakPolarHBondContact CE2-OD1 3.21Å; Y128-N151 PolarHBondContact OH-OD1 2.66Å; Y128-L154 HydrophobicContact CE1-CD2 3.85Å
129F93.9Very high83.8Confident2 Ų263.1 Ų63.11%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-132.8156.9-171.2-51.2-72.3000111.7I7 F12 M15 I16 F82 L114 T115 F116 K117 N127 Y144I7-F129 HydrophobicContact CD1-CD2 3.66Å; I7-F129 HydrophobicContact CD1-CE2 4.06Å; I7-F129 HydrophobicContact CD1-CG 4.4Å; F12-F129 AromaticContact CD2-CE2 3.6Å; F12-F129 HydrophobicContact CD2-CE2 3.6Å; F12-F129 HydrophobicContact CD2-CZ 4.42Å; F12-F129 HydrophobicContact CE2-CD2 4.3Å; F12-F129 AromaticContact CE2-CE2 3.58Å; F12-F129 HydrophobicContact CE2-CE2 3.58Å; F12-F129 HydrophobicContact CG-CE2 4.2Å; F12-F129 HydrophobicContact CZ-CE2 4.17Å; M15-F129 HydrophobicContact CB-CE1 4.28Å; M15-F129 HydrophobicContact CB-CZ 4.34Å; M15-F129 HydrophobicContact CE-CE1 4.09Å; M15-F129 HydrophobicContact CE-CE2 4.19Å; M15-F129 HydrophobicContact CE-CZ 3.75Å; M15-F129 HydrophobicContact SD-CE1 4.29Å; I16-F129 HydrophobicContact CD1-CZ 4.29Å; I16-F129 HydrophobicContact CG1-CZ 4.02Å; F82-F129 HydrophobicContact CE2-CD1 4.16Å; F82-F129 AromaticContact CE2-CE1 3.9Å; F82-F129 HydrophobicContact CE2-CE1 3.9Å; L114-F129 HydrophobicContact CD2-CB 3.83Å; L114-F129 HydrophobicContact CD2-CD1 3.22Å; L114-F129 HydrophobicContact CD2-CD2 4.31Å; L114-F129 HydrophobicContact CD2-CE1 3.79Å; L114-F129 HydrophobicContact CD2-CG 3.53Å; L114-F129 HydrophobicContact CG-CB 4.08Å; L114-F129 HydrophobicContact CG-CD1 4.34Å; L114-F129 HydrophobicContact CG-CG 4.29Å; T115-F129 CarbonylContact O-C 3.57Å; T115-F129 WeakPolarHBondContact O-CA 3.38Å; F116-F129 HydrophobicContact CB-CD1 4.46Å; F116-F129 AromaticContact CD2-CD1 3.78Å; F116-F129 HydrophobicContact CD2-CD1 3.78Å; F116-F129 AromaticContact CD2-CE1 3.5Å; F116-F129 HydrophobicContact CD2-CE1 3.5Å; F116-F129 VanDerWaalsContact CD2-CE1 3.5Å; F116-F129 HydrophobicContact CD2-CZ 4.37Å; F116-F129 HydrophobicContact CE2-CE1 4.15Å; F116-F129 HydrophobicContact CG-CE1 4.45Å; K117-F129 WeakPolarHBondContact CE-O 3.22Å; K117-F129 PolarHBondContact NZ-O 3.25Å; N127-F129 PolarHBondContact OD1-O 3.2Å; F129-Y144 HydrophobicContact CB-CE1 4.03Å; F129-Y144 AromaticContact CD2-CE2 3.98Å; F129-Y144 HydrophobicContact CD2-CE2 3.98Å; F129-Y144 AromaticContact CD2-CZ 3.96Å; F129-Y144 PolarHBondContact N-OH 3.04Å; F129-Y144 WeakPolarHBondContact O-CE1 3.08Å
130T93.5Very high84.4Confident8 Ų865 Ų655%0.04931%0.313CS..EExtended strand (participates in β ladder)trans-112.7132.2158.2-42.40000107.1T115 K117 F132 E141T115-T130 PolarHBondContact N-O 3.42Å; T115-T130 PolarHBondContact O-N 3.25Å; T115-T130 VanDerWaalsContact OG1-CB 3.31Å; T115-T130 WeakPolarHBondContact OG1-CB 3.5Å; T115-T130 PolarHBondContact OG1-O 2.82Å; K117-T130 WeakPolarHBondContact CE-OG1 3.4Å; T130-F132 HydrophobicContact CG2-CD2 4.37Å; T130-F132 HydrophobicContact CG2-CE1 4.41Å; T130-F132 HydrophobicContact CG2-CE2 3.45Å; T130-F132 VanDerWaalsContact CG2-CE2 3.45Å; T130-F132 HydrophobicContact CG2-CZ 3.48Å; T130-F132 VanDerWaalsContact CG2-CZ 3.48Å; T130-E141 VanDerWaalsContact CG2-CD 3.48Å; T130-E141 HydrophobicContact CG2-CG 3.74Å
131V94.7Very high85.1Confident0 Ų071.3 Ų71.30%034%0.343CS..EExtended strand (participates in β ladder)trans-116.2134.8-177.3-174.70000109.2V5 C112 L113 L114 E141 T142 Y144V5-V131 HydrophobicContact CB-CG1 4.1Å; V5-V131 HydrophobicContact CG1-CG1 4.12Å; V5-V131 HydrophobicContact CG2-CG1 3.77Å; C112-V131 HydrophobicContact CB-CG1 4.16Å; L113-V131 CarbonylContact O-C 3.57Å; L113-V131 WeakPolarHBondContact O-CA 3.3Å; L114-V131 HydrophobicContact CD1-CG1 4.5Å; L114-V131 HydrophobicContact CD1-CG2 3.52Å; L114-V131 HydrophobicContact CG-CG2 3.94Å; V131-E141 CarbonylContact O-C 3.53Å; V131-E141 VanDerWaalsContact O-CA 3.31Å; V131-E141 WeakPolarHBondContact O-CA 3.17Å; V131-T142 PolarHBondContact O-N 2.89Å; V131-Y144 HydrophobicContact CG2-CD1 3.76Å; V131-Y144 HydrophobicContact CG2-CG 3.97Å
132F94.5Very high86.1Confident20 Ų2069.9 Ų69.99%0.08834%0.336CS..EExtended strand (participates in β ladder)trans-121.8130.4178-56.8-99.3000109.4P93 C112 L113 T115 T130 W139 N140 E141P93-F132 VanDerWaalsContact CD-CE2 3.46Å; P93-F132 HydrophobicContact CG-CD2 3.57Å; P93-F132 HydrophobicContact CG-CE2 3.73Å; P93-F132 HydrophobicContact CG-CG 4.03Å; P93-F132 HydrophobicContact CG-CZ 4.28Å; C112-F132 CarbonylContact C-O 3.57Å; C112-F132 WeakPolarHBondContact CA-O 3.31Å; L113-F132 HydrophobicContact CB-CB 4.25Å; L113-F132 PolarHBondContact N-O 3.09Å; L113-F132 PolarHBondContact O-N 3.45Å; T115-F132 HydrophobicContact CG2-CE2 4.47Å; T130-F132 HydrophobicContact CG2-CD2 4.37Å; T130-F132 HydrophobicContact CG2-CE1 4.41Å; T130-F132 HydrophobicContact CG2-CE2 3.45Å; T130-F132 VanDerWaalsContact CG2-CE2 3.45Å; T130-F132 HydrophobicContact CG2-CZ 3.48Å; T130-F132 VanDerWaalsContact CG2-CZ 3.48Å; F132-W139 HydrophobicContact CB-CB 4.15Å; F132-W139 HydrophobicContact CB-CE3 4.23Å; F132-W139 HydrophobicContact CD1-CB 4.49Å; F132-N140 VanDerWaalsContact CA-O 3.28Å; F132-N140 WeakPolarHBondContact CA-O 3.44Å; F132-E141 HydrophobicContact CD1-CB 4.24Å; F132-E141 HydrophobicContact CE1-CB 4.04Å
133C92.5Very high86.9Confident7 Ų771.3 Ų71.35%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-113.2145.2169.8-69.60000108.7N140C133-N140 PolarHBondContact N-O 3.29Å; C133-N140 PolarHBondContact O-N 3.41Å
134K87.9Confident87.9Confident80 Ų8067.1 Ų67.135%0.34832%0.324SS..EExtended strand (participates in β ladder)trans-75.3129.8176.4-165.7173.1179.6176.70109.3D136 W139K134-D136 VanDerWaalsContact CE-O 3.28Å; K134-D136 WeakPolarHBondContact CE-O 3.28Å; K134-W139 HydrophobicContact CB-CD2 4.47Å; K134-W139 HydrophobicContact CB-CE3 4.06Å; K134-W139 HydrophobicContact CB-CH2 4.19Å; K134-W139 HydrophobicContact CB-CZ3 3.9Å
135S84Confident88.8Confident53 Ų5368.8 Ų68.837%0.37134%0.336SS..EExtended strand (participates in β ladder)trans-129.6124.5161.268.80000108.4W137 K138 N140S135-W137 PolarHBondContact O-N 3.24Å; S135-K138 PolarHBondContact N-O 2.93Å; S135-K138 PolarHBondContact O-N 2.87Å; S135-N140 PolarHBondContact OG-ND2 2.81Å
136D80.8Confident89.8Confident142 Ų14265.9 Ų65.976%0.75932%0.316SS*.THydrogen-bonded Turntrans57.5-103.8-169.8-48.1-45.5000111.7K134K134-D136 VanDerWaalsContact CE-O 3.28Å; K134-D136 WeakPolarHBondContact CE-O 3.28Å
137W80.4Confident90.5Very high223 Ų22368.5 Ų68.585%0.84533%0.326SS*.THydrogen-bonded Turntrans-117.84.7-173.7-53.399.2000113S135S135-W137 PolarHBondContact O-N 3.24Å
138K87.9Confident90.6Very high155 Ų15570.5 Ų70.567%0.67434%0.336SS*.EExtended strand (participates in β ladder)trans-128144.5-174.9-67.4-174179.7-179.30111.8S135 N140S135-K138 PolarHBondContact N-O 2.93Å; S135-K138 PolarHBondContact O-N 2.87Å; K138-N140 PolarHBondContact O-ND2 3.46Å
139W91.4Very high90.5Very high40 Ų4077.2 Ų77.215%0.15237%0.369CS..EExtended strand (participates in β ladder)trans-80.1116.7168.6-66.8103.6000108.8E102 L113 F132 K134E102-W139 HydrophobicContact CG-CZ2 4.46Å; L113-W139 HydrophobicContact CB-CE3 4.42Å; L113-W139 HydrophobicContact CB-CZ3 4.44Å; L113-W139 HydrophobicContact CD1-CD2 3.55Å; L113-W139 HydrophobicContact CD1-CE3 3.8Å; L113-W139 HydrophobicContact CD1-CG 4.07Å; L113-W139 HydrophobicContact CD1-CH2 4.05Å; L113-W139 HydrophobicContact CD1-CZ2 3.81Å; L113-W139 HydrophobicContact CD1-CZ3 4.05Å; L113-W139 HydrophobicContact CD2-CH2 4.29Å; L113-W139 HydrophobicContact CG-CD2 4.09Å; L113-W139 HydrophobicContact CG-CE3 3.8Å; L113-W139 HydrophobicContact CG-CH2 3.75Å; L113-W139 HydrophobicContact CG-CZ2 4.03Å; L113-W139 HydrophobicContact CG-CZ3 3.63Å; F132-W139 HydrophobicContact CB-CB 4.15Å; F132-W139 HydrophobicContact CB-CE3 4.23Å; F132-W139 HydrophobicContact CD1-CB 4.49Å; K134-W139 HydrophobicContact CB-CD2 4.47Å; K134-W139 HydrophobicContact CB-CE3 4.06Å; K134-W139 HydrophobicContact CB-CH2 4.19Å; K134-W139 HydrophobicContact CB-CZ3 3.9Å
140N91.8Very high90.3Very high68 Ų6877.1 Ų77.136%0.36437%0.368SS..EExtended strand (participates in β ladder)trans-112.6133.8-179.5-68.7-66.9000110.3F132 C133 S135 K138 T142F132-N140 VanDerWaalsContact CA-O 3.28Å; F132-N140 WeakPolarHBondContact CA-O 3.44Å; C133-N140 PolarHBondContact N-O 3.29Å; C133-N140 PolarHBondContact O-N 3.41Å; S135-N140 PolarHBondContact OG-ND2 2.81Å; K138-N140 PolarHBondContact O-ND2 3.46Å; N140-T142 PolarHBondContact O-N 2.9Å
141E93Very high90.1Very high133 Ų13378.3 Ų78.362%0.62137%0.374SS*.EExtended strand (participates in β ladder)trans-59.6138.3175.5-173.3174.4164.300110.2T130 V131 F132T130-E141 VanDerWaalsContact CG2-CD 3.48Å; T130-E141 HydrophobicContact CG2-CG 3.74Å; V131-E141 CarbonylContact O-C 3.53Å; V131-E141 VanDerWaalsContact O-CA 3.31Å; V131-E141 WeakPolarHBondContact O-CA 3.17Å; F132-E141 HydrophobicContact CD1-CB 4.24Å; F132-E141 HydrophobicContact CE1-CB 4.04Å
142T91.8Very high89.9Confident16 Ų1686.3 Ų86.310%0.09841%0.409CS..EExtended strand (participates in β ladder)trans-140.8150.4-178.4-780000109.8S2 A3 V131 N140S2-T142 WeakPolarHBondContact CB-OG1 3.48Å; S2-T142 PolarHBondContact OG-OG1 2.91Å; A3-T142 WeakPolarHBondContact O-CG2 3.28Å; V131-T142 PolarHBondContact O-N 2.89Å; N140-T142 PolarHBondContact O-N 2.9Å
143K91.7Very high89.8Confident191 Ų19187 Ų8783%0.8341%0.412SS*.  trans-72.8145.6177.9-64.3-177.6-179.7178.90110.3
144Y93.8Very high89.8Confident38 Ų3886.7 Ų86.715%0.14941%0.41CS..EExtended strand (participates in β ladder)trans-118.3160.3170.873.4-83.5000110.9V5 I7 Y128 F129 V131 F146V5-Y144 CarbonylContact O-C 3.57Å; V5-Y144 WeakPolarHBondContact O-CA 3.48Å; I7-Y144 HydrophobicContact CD1-CD2 3.35Å; I7-Y144 HydrophobicContact CD1-CE2 3.77Å; I7-Y144 HydrophobicContact CD1-CG 3.96Å; I7-Y144 HydrophobicContact CG1-CD2 3.87Å; I7-Y144 HydrophobicContact CG1-CG 4.47Å; Y128-Y144 PolarHBondContact N-OH 3Å; F129-Y144 HydrophobicContact CB-CE1 4.03Å; F129-Y144 AromaticContact CD2-CE2 3.98Å; F129-Y144 HydrophobicContact CD2-CE2 3.98Å; F129-Y144 AromaticContact CD2-CZ 3.96Å; F129-Y144 PolarHBondContact N-OH 3.04Å; F129-Y144 WeakPolarHBondContact O-CE1 3.08Å; V131-Y144 HydrophobicContact CG2-CD1 3.76Å; V131-Y144 HydrophobicContact CG2-CG 3.97Å; Y144-F146 AromaticContact CD2-CD1 3.89Å; Y144-F146 HydrophobicContact CD2-CD1 3.89Å; Y144-F146 AromaticContact CE2-CD1 3.34Å; Y144-F146 HydrophobicContact CE2-CD1 3.34Å; Y144-F146 AromaticContact CE2-CE1 3.7Å; Y144-F146 HydrophobicContact CE2-CE1 3.7Å; Y144-F146 HydrophobicContact CE2-CG 4.3Å
145T94.3Very high89.9Confident78 Ų7888.7 Ų88.748%0.47942%0.419SS..EExtended strand (participates in β ladder)trans-123.6152.6174.7590000110V5 H6 I7V5-T145 PolarHBondContact O-N 3.29Å; V5-T145 PolarHBondContact O-OG1 2.91Å; H6-T145 WeakPolarHBondContact CA-O 3.47Å; H6-T145 PolarHBondContact ND1-O 3.5Å; H6-T145 PolarHBondContact ND1-OG1 3.15Å; I7-T145 PolarHBondContact N-O 2.91Å
146F93.8Very high90.3Very high33 Ų3391.6 Ų91.615%0.14543%0.426CS..EExtended strand (participates in β ladder)trans-159162.3175.767.2-79.4000109.2I7 F12 G126 Y128 Y144 L148 V150I7-F146 HydrophobicContact CB-CB 4.39Å; F12-F146 HydrophobicContact CD2-CB 4.12Å; F12-F146 HydrophobicContact CD2-CD2 4.09Å; F12-F146 HydrophobicContact CD2-CG 4.12Å; F12-F146 HydrophobicContact CE2-CB 4.18Å; F12-F146 HydrophobicContact CE2-CD1 4.15Å; F12-F146 AromaticContact CE2-CD2 3.49Å; F12-F146 HydrophobicContact CE2-CD2 3.49Å; F12-F146 VanDerWaalsContact CE2-CD2 3.49Å; F12-F146 HydrophobicContact CE2-CE1 4.4Å; F12-F146 AromaticContact CE2-CE2 3.78Å; F12-F146 HydrophobicContact CE2-CE2 3.78Å; F12-F146 AromaticContact CE2-CG 3.68Å; F12-F146 HydrophobicContact CE2-CG 3.68Å; F12-F146 HydrophobicContact CE2-CZ 4.23Å; F12-F146 AromaticContact CZ-CD2 3.96Å; F12-F146 HydrophobicContact CZ-CD2 3.96Å; F12-F146 AromaticContact CZ-CE2 3.86Å; F12-F146 HydrophobicContact CZ-CE2 3.86Å; F12-F146 HydrophobicContact CZ-CZ 4.39Å; G126-F146 WeakPolarHBondContact O-CE1 3.46Å; G126-F146 VanDerWaalsContact O-CZ 3.31Å; G126-F146 WeakPolarHBondContact O-CZ 3.02Å; Y128-F146 HydrophobicContact CD2-CZ 4.31Å; Y128-F146 HydrophobicContact CE2-CE2 4.5Å; Y128-F146 HydrophobicContact CE2-CZ 4.26Å; Y144-F146 AromaticContact CD2-CD1 3.89Å; Y144-F146 HydrophobicContact CD2-CD1 3.89Å; Y144-F146 AromaticContact CE2-CD1 3.34Å; Y144-F146 HydrophobicContact CE2-CD1 3.34Å; Y144-F146 AromaticContact CE2-CE1 3.7Å; Y144-F146 HydrophobicContact CE2-CE1 3.7Å; Y144-F146 HydrophobicContact CE2-CG 4.3Å; F146-L148 HydrophobicContact CE2-CD2 4.07Å; F146-L148 HydrophobicContact CZ-CD2 3.97Å; F146-L148 PolarHBondContact O-N 2.86Å; F146-V150 HydrophobicContact CD2-CG1 3.55Å; F146-V150 HydrophobicContact CE2-CG1 3.72Å
147N91.9Very high91Very high74 Ų7485.4 Ų85.440%0.39639%0.393SS..  trans-75.9118.8176-175.4-14000110.8M149 V150N147-M149 PolarHBondContact O-N 3.41Å; N147-M149 VanDerWaalsContact O-N 3.1Å; N147-M149 WeakPolarHBondContact OD1-CB 3.42Å; N147-M149 WeakPolarHBondContact OD1-CG 3.28Å; N147-M149 PolarHBondContact OD1-N 3.04Å; N147-V150 WeakPolarHBondContact O-CB 3.31Å; N147-V150 WeakPolarHBondContact O-CG1 3.43Å; N147-V150 PolarHBondContact O-N 2.81Å
148L88.6Confident91.5Very high119 Ų11976.7 Ų76.762%0.62336%0.363SS*.THydrogen-bonded Turntrans-60.2-20.8179.9-69.3173.1000114.2F146 V150 N151F146-L148 HydrophobicContact CE2-CD2 4.07Å; F146-L148 HydrophobicContact CZ-CD2 3.97Å; F146-L148 PolarHBondContact O-N 2.86Å; L148-V150 PolarHBondContact O-N 2.9Å; L148-N151 WeakPolarHBondContact O-CB 3.48Å; L148-N151 PolarHBondContact O-N 3.33Å; L148-N151 VanDerWaalsContact O-N 3.16Å; L148-N151 PolarHBondContact O-ND2 2.89Å; L148-N151 VanDerWaalsContact O-ND2 3.09Å
149M88.2Confident91.7Very high141 Ų14176.9 Ų76.970%0.69537%0.366SS*.THydrogen-bonded Turntrans-60.1-25.6174.4-64.7-173.1-141.800112.4N147 N151 K152N147-M149 PolarHBondContact O-N 3.41Å; N147-M149 VanDerWaalsContact O-N 3.1Å; N147-M149 WeakPolarHBondContact OD1-CB 3.42Å; N147-M149 WeakPolarHBondContact OD1-CG 3.28Å; N147-M149 PolarHBondContact OD1-N 3.04Å; M149-N151 PolarHBondContact O-N 2.77Å; M149-N151 VanDerWaalsContact O-N 3.07Å; M149-K152 PolarHBondContact O-N 3.06Å
150V90.8Very high91.9Very high1 Ų180.1 Ų80.11%0.00639%0.386CS..Hα-helixtrans-55.9-28.4176.378.90000112.3E9 F12 L13 F146 N147 L148 K152 K153 L154E9-V150 HydrophobicContact CG-CB 4.25Å; E9-V150 HydrophobicContact CG-CG2 3.77Å; F12-V150 HydrophobicContact CB-CG2 4.43Å; F12-V150 HydrophobicContact CD1-CB 4.39Å; F12-V150 HydrophobicContact CD1-CG1 3.87Å; F12-V150 HydrophobicContact CD1-CG2 3.55Å; F12-V150 HydrophobicContact CD2-CG1 4.46Å; F12-V150 HydrophobicContact CE1-CB 4.47Å; F12-V150 HydrophobicContact CE1-CG1 3.55Å; F12-V150 HydrophobicContact CE1-CG2 3.97Å; F12-V150 HydrophobicContact CE2-CG1 4.2Å; F12-V150 HydrophobicContact CG-CG1 4.31Å; F12-V150 HydrophobicContact CG-CG2 4.13Å; F12-V150 HydrophobicContact CZ-CG1 3.73Å; L13-V150 HydrophobicContact CD1-CG2 4.4Å; L13-V150 HydrophobicContact CD2-CG2 3.44Å; L13-V150 VanDerWaalsContact CD2-CG2 3.44Å; L13-V150 HydrophobicContact CG-CG2 3.79Å; F146-V150 HydrophobicContact CD2-CG1 3.55Å; F146-V150 HydrophobicContact CE2-CG1 3.72Å; N147-V150 WeakPolarHBondContact O-CB 3.31Å; N147-V150 WeakPolarHBondContact O-CG1 3.43Å; N147-V150 PolarHBondContact O-N 2.81Å; L148-V150 PolarHBondContact O-N 2.9Å; V150-K152 VanDerWaalsContact C-N 3.28Å; V150-K152 PolarHBondContact O-N 2.88Å; V150-K153 PolarHBondContact O-N 3.49Å; V150-L154 VanDerWaalsContact O-CB 3.24Å; V150-L154 WeakPolarHBondContact O-CB 3.37Å; V150-L154 PolarHBondContact O-N 2.84Å
151N89.6Confident92.1Very high32 Ų3282 Ų8217%0.17139%0.391CS..Hα-helixtrans-63.4-34.3-179.8-69.1-48.3000112.5Y128 L148 M149 K155Y128-N151 WeakPolarHBondContact CE2-OD1 3.21Å; Y128-N151 PolarHBondContact OH-OD1 2.66Å; L148-N151 WeakPolarHBondContact O-CB 3.48Å; L148-N151 PolarHBondContact O-N 3.33Å; L148-N151 VanDerWaalsContact O-N 3.16Å; L148-N151 PolarHBondContact O-ND2 2.89Å; L148-N151 VanDerWaalsContact O-ND2 3.09Å; M149-N151 PolarHBondContact O-N 2.77Å; M149-N151 VanDerWaalsContact O-N 3.07Å; N151-K155 WeakPolarHBondContact O-CG 3.47Å; N151-K155 PolarHBondContact O-N 2.78Å
152K89.7Confident92.3Very high169 Ų16976.4 Ų76.474%0.73537%0.366SS*.Hα-helixtrans-67.9-48.3177.5-175-176.7175.7-171.80109.8M149 V150 K155 E156M149-K152 PolarHBondContact O-N 3.06Å; V150-K152 VanDerWaalsContact C-N 3.28Å; V150-K152 PolarHBondContact O-N 2.88Å; K152-K155 PolarHBondContact O-N 3.29Å; K152-E156 PolarHBondContact O-N 3.49Å
153K92.1Very high92.5Very high34 Ų3477.3 Ų77.315%0.14837%0.368CS..Hα-helixtrans-64.1-41.2178.4-164.1167-161.7164.80112.1E9 L13 V150 K155 E156 I157 L189 V191E9-K153 WeakPolarHBondContact OE1-CD 3.35Å; E9-K153 IonicContact OE1-NZ 2.59Å; L13-K153 HydrophobicContact CD1-CD 3.83Å; L13-K153 HydrophobicContact CD1-CG 4.19Å; V150-K153 PolarHBondContact O-N 3.49Å; K153-K155 VanDerWaalsContact C-N 3.33Å; K153-K155 PolarHBondContact O-N 2.83Å; K153-E156 WeakPolarHBondContact O-CB 3.48Å; K153-E156 PolarHBondContact O-N 3.34Å; K153-E156 VanDerWaalsContact O-N 3.11Å; K153-I157 HydrophobicContact CG-CG2 4.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.07Å; K153-I157 WeakPolarHBondContact O-CG2 3.36Å; K153-I157 PolarHBondContact O-N 3.39Å; K153-L189 WeakPolarHBondContact CE-O 3.46Å; K153-L189 PolarHBondContact NZ-O 2.7Å; K153-V191 WeakPolarHBondContact CE-OXT 3.36Å; K153-V191 PolarHBondContact NZ-OXT 2.66Å
154L92.1Very high92.7Very high0 Ų076.1 Ų76.10%036%0.359CS..Hα-helixtrans-56.6-46.3176.7-179.861.2000111.6F12 L13 I16 L124 Y128 V150 E156 I157 L158F12-L154 HydrophobicContact CE1-CD2 4.25Å; L13-L154 HydrophobicContact CD2-CB 4.06Å; L13-L154 HydrophobicContact CD2-CD1 4.19Å; I16-L154 HydrophobicContact CB-CD1 4.09Å; I16-L154 HydrophobicContact CD1-CD1 3.98Å; I16-L154 HydrophobicContact CD1-CD2 3.61Å; I16-L154 HydrophobicContact CD1-CG 4.46Å; I16-L154 HydrophobicContact CG2-CD1 3.72Å; L124-L154 HydrophobicContact CD2-CD2 3.75Å; L124-L154 HydrophobicContact CD2-CG 4.36Å; Y128-L154 HydrophobicContact CE1-CD2 3.85Å; V150-L154 VanDerWaalsContact O-CB 3.24Å; V150-L154 WeakPolarHBondContact O-CB 3.37Å; V150-L154 PolarHBondContact O-N 2.84Å; L154-E156 VanDerWaalsContact C-N 3.3Å; L154-E156 PolarHBondContact O-N 2.89Å; L154-I157 HydrophobicContact CD1-CD1 4.29Å; L154-I157 HydrophobicContact CD1-CG1 4.38Å; L154-I157 WeakPolarHBondContact O-CG1 3.37Å; L154-I157 PolarHBondContact O-N 2.85Å; L154-L158 HydrophobicContact CD1-CD1 3.84Å; L154-L158 HydrophobicContact CD1-CG 3.96Å; L154-L158 HydrophobicContact CG-CD1 3.91Å; L154-L158 HydrophobicContact CG-CG 4.41Å; L154-L158 WeakPolarHBondContact O-CB 3.26Å; L154-L158 VanDerWaalsContact O-CG 3.23Å; L154-L158 WeakPolarHBondContact O-CG 3.46Å; L154-L158 PolarHBondContact O-N 2.77Å
155K90.3Very high92.9Very high123 Ų12380 Ų8054%0.53538%0.378SS..Hα-helixtrans-58.8-43.7176.3-75.7175.3-178.7-1760111.9L124 N151 K152 K153 H159L124-K155 HydrophobicContact CD1-CD 4.24Å; L124-K155 HydrophobicContact CD1-CG 3.54Å; N151-K155 WeakPolarHBondContact O-CG 3.47Å; N151-K155 PolarHBondContact O-N 2.78Å; K152-K155 PolarHBondContact O-N 3.29Å; K153-K155 VanDerWaalsContact C-N 3.33Å; K153-K155 PolarHBondContact O-N 2.83Å; K155-H159 WeakPolarHBondContact O-CB 3.38Å; K155-H159 PolarHBondContact O-N 3.33Å
156E93.4Very high93Very high114 Ų11476.3 Ų76.353%0.53336%0.355SS..Hα-helixtrans-64.7-51.9179.7-177.3177.4179.100112K152 K153 L154 L158 H159 L160K152-E156 PolarHBondContact O-N 3.49Å; K153-E156 WeakPolarHBondContact O-CB 3.48Å; K153-E156 PolarHBondContact O-N 3.34Å; K153-E156 VanDerWaalsContact O-N 3.11Å; L154-E156 VanDerWaalsContact C-N 3.3Å; L154-E156 PolarHBondContact O-N 2.89Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.04Å; E156-H159 WeakPolarHBondContact O-CB 3.43Å; E156-H159 PolarHBondContact O-N 3.2Å; E156-H159 VanDerWaalsContact O-N 3.13Å; E156-L160 HydrophobicContact CG-CD1 4Å; E156-L160 WeakPolarHBondContact O-CG 3.24Å; E156-L160 PolarHBondContact O-N 3.05Å
157I93.8Very high93.2Very high12 Ų1275.9 Ų75.96%0.06236%0.356CS..Hα-helixtrans-67.4-31.3-177.168.1174.1000112.6L13 L17 K153 L154 K161 V162 L189L13-I157 HydrophobicContact CB-CD1 4.02Å; L13-I157 HydrophobicContact CD1-CD1 4.43Å; L13-I157 HydrophobicContact CD2-CD1 3.65Å; L13-I157 HydrophobicContact CG-CD1 4.22Å; L17-I157 HydrophobicContact CD1-CD1 4.08Å; L17-I157 HydrophobicContact CD2-CD1 3.76Å; L17-I157 HydrophobicContact CD2-CG1 4.14Å; L17-I157 HydrophobicContact CG-CD1 3.94Å; K153-I157 HydrophobicContact CG-CG2 4.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.07Å; K153-I157 WeakPolarHBondContact O-CG2 3.36Å; K153-I157 PolarHBondContact O-N 3.39Å; L154-I157 HydrophobicContact CD1-CD1 4.29Å; L154-I157 HydrophobicContact CD1-CG1 4.38Å; L154-I157 WeakPolarHBondContact O-CG1 3.37Å; L154-I157 PolarHBondContact O-N 2.85Å; I157-K161 PolarHBondContact O-N 3.22Å; I157-V162 HydrophobicContact CB-CB 4.02Å; I157-V162 HydrophobicContact CB-CG2 3.86Å; I157-V162 HydrophobicContact CG2-CG2 4.29Å; I157-V162 WeakPolarHBondContact O-CB 3.35Å; I157-V162 WeakPolarHBondContact O-CG2 3.17Å; I157-V162 PolarHBondContact O-N 3.42Å; I157-L189 HydrophobicContact CD1-CD2 4.18Å; I157-L189 HydrophobicContact CG2-CD2 4.03Å
158L91.9Very high93.5Very high39 Ų3972.4 Ų72.420%0.20434%0.337CS..Hα-helixtrans-68.9-42.1173.2-72.1176.7000110.8A20 L124 L154 E156 K161A20-L158 HydrophobicContact CB-CD2 4.04Å; L124-L158 HydrophobicContact CD2-CD1 4.4Å; L154-L158 HydrophobicContact CD1-CD1 3.84Å; L154-L158 HydrophobicContact CD1-CG 3.96Å; L154-L158 HydrophobicContact CG-CD1 3.91Å; L154-L158 HydrophobicContact CG-CG 4.41Å; L154-L158 WeakPolarHBondContact O-CB 3.26Å; L154-L158 VanDerWaalsContact O-CG 3.23Å; L154-L158 WeakPolarHBondContact O-CG 3.46Å; L154-L158 PolarHBondContact O-N 2.77Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 3.04Å; L158-K161 PolarHBondContact O-N 3.1Å; L158-K161 VanDerWaalsContact O-N 3.11Å
159H92.7Very high93.9Very high159 Ų15966.9 Ų66.974%0.73631%0.308SS*.Hα-helixtrans-62.1-43.3175.8-17771.7000112.1K155 E156 K161K155-H159 WeakPolarHBondContact O-CB 3.38Å; K155-H159 PolarHBondContact O-N 3.33Å; E156-H159 WeakPolarHBondContact O-CB 3.43Å; E156-H159 PolarHBondContact O-N 3.2Å; E156-H159 VanDerWaalsContact O-N 3.13Å; H159-K161 PolarHBondContact O-N 2.94Å
160L95.7Very high94.2Very high109 Ų10961 Ų6157%0.57128%0.279SS*.THydrogen-bonded Turntrans-73.5-0.8176-65.9175.8000113.7E156 V162E156-L160 HydrophobicContact CG-CD1 4Å; E156-L160 WeakPolarHBondContact O-CG 3.24Å; E156-L160 PolarHBondContact O-N 3.05Å; L160-V162 HydrophobicContact CB-CG2 3.97Å; L160-V162 PolarHBondContact O-N 3.42Å
161K95.2Very high94.5Very high107 Ų10762.6 Ų62.647%0.46529%0.288SS..THydrogen-bonded Turntrans55.136.7-179.4-53.6-175.9-177.9178.80113.6I157 L158 H159 H163 R164I157-K161 PolarHBondContact O-N 3.22Å; L158-K161 PolarHBondContact O-N 3.1Å; L158-K161 VanDerWaalsContact O-N 3.11Å; H159-K161 PolarHBondContact O-N 2.94Å; K161-H163 PolarHBondContact O-N 3.36Å; K161-H163 VanDerWaalsContact O-N 3.09Å; K161-R164 HydrophobicContact CB-CG 4.49Å; K161-R164 PolarHBondContact O-N 3.45Å; K161-R164 VanDerWaalsContact O-N 3.09Å
162V97Very high94.8Very high16 Ų1662.8 Ų62.810%0.09729%0.288CS..G310 helixtrans-59.5-22.4177.8179.90000111.6L17 I157 L160 R164 Q165 L185 L189L17-V162 HydrophobicContact CD1-CG1 4.03Å; L17-V162 HydrophobicContact CD2-CB 4.2Å; L17-V162 HydrophobicContact CD2-CG1 4.43Å; I157-V162 HydrophobicContact CB-CB 4.02Å; I157-V162 HydrophobicContact CB-CG2 3.86Å; I157-V162 HydrophobicContact CG2-CG2 4.29Å; I157-V162 WeakPolarHBondContact O-CB 3.35Å; I157-V162 WeakPolarHBondContact O-CG2 3.17Å; I157-V162 PolarHBondContact O-N 3.42Å; L160-V162 HydrophobicContact CB-CG2 3.97Å; L160-V162 PolarHBondContact O-N 3.42Å; V162-R164 PolarHBondContact O-N 3.17Å; V162-Q165 WeakPolarHBondContact O-CB 3.38Å; V162-Q165 PolarHBondContact O-N 3.49Å; V162-L185 HydrophobicContact CG1-CD1 3.64Å; V162-L189 HydrophobicContact CG1-CD2 4.49Å
163H95.4Very high95Very high34 Ų3458.2 Ų58.216%0.15727%0.271CS..G310 helixtrans-58.6-21176.259.8-95.7000112.9L17 A20 K21 K161 Q165 I166L17-H163 HydrophobicContact CB-CB 4.38Å; L17-H163 HydrophobicContact CD2-CB 3.83Å; L17-H163 WeakPolarHBondContact O-CB 3.36Å; A20-H163 HydrophobicContact CB-CB 3.87Å; K21-H163 HydrophobicContact CB-CB 4.5Å; K21-H163 WeakPolarHBondContact CB-O 3.48Å; K21-H163 WeakPolarHBondContact CD-O 3.21Å; K21-H163 WeakPolarHBondContact CG-O 3.48Å; K161-H163 PolarHBondContact O-N 3.36Å; K161-H163 VanDerWaalsContact O-N 3.09Å; H163-Q165 PolarHBondContact O-N 2.95Å; H163-I166 WeakPolarHBondContact O-CG2 3.34Å
164R96.6Very high95Very high166 Ų16663.3 Ų63.363%0.62630%0.3SS*.G310 helixtrans-71.7-15.2174.6-63.8178175.8-169.7-9.9113.7K161 V162K161-R164 HydrophobicContact CB-CG 4.49Å; K161-R164 PolarHBondContact O-N 3.45Å; K161-R164 VanDerWaalsContact O-N 3.09Å; V162-R164 PolarHBondContact O-N 3.17Å
165Q97Very high95.2Very high120 Ų12066.8 Ų66.856%0.56132%0.318SS*.G310 helixtrans-97.6-15.5-176.6-56.2178.630.100112.8V162 H163 L185V162-Q165 WeakPolarHBondContact O-CB 3.38Å; V162-Q165 PolarHBondContact O-N 3.49Å; H163-Q165 PolarHBondContact O-N 2.95Å; Q165-L185 HydrophobicContact CB-CD1 4.48Å
166I98.1Very high95.5Very high0 Ų066 Ų660%032%0.323CS..  trans-70.5136177.3-160.2165.7000109K14 L17 H18 K21 P48 H163 N182 L185K14-I166 HydrophobicContact CB-CD1 4.05Å; K14-I166 HydrophobicContact CG-CD1 4.44Å; K14-I166 WeakPolarHBondContact O-CD1 3.22Å; L17-I166 HydrophobicContact CB-CB 4.4Å; L17-I166 HydrophobicContact CB-CD1 3.86Å; L17-I166 HydrophobicContact CB-CG2 4.35Å; H18-I166 HydrophobicContact CB-CD1 4.07Å; K21-I166 HydrophobicContact CB-CG2 4.09Å; K21-I166 HydrophobicContact CD-CG2 3.74Å; K21-I166 VanDerWaalsContact CD-O 3.26Å; K21-I166 WeakPolarHBondContact CD-O 3.31Å; K21-I166 WeakPolarHBondContact CE-O 3.26Å; K21-I166 PolarHBondContact NZ-O 3.38Å; P48-I166 HydrophobicContact CG-CD1 3.82Å; P48-I166 HydrophobicContact CG-CG1 4Å; H163-I166 WeakPolarHBondContact O-CG2 3.34Å; I166-N182 WeakPolarHBondContact CA-OD1 3.33Å; I166-N182 WeakPolarHBondContact CG1-OD1 3.05Å; I166-L185 HydrophobicContact CB-CD2 3.84Å; I166-L185 HydrophobicContact CG1-CD2 3.93Å
167V98.1Very high95.6Very high25 Ų2567 Ų6715%0.15233%0.333CS..  trans-113.4135.3179.9171.10000107.9D171 C178 F180 N182V167-D171 WeakPolarHBondContact CA-OD2 3.31Å; V167-D171 HydrophobicContact CG1-CB 3.8Å; V167-C178 HydrophobicContact CG1-CB 3.6Å; V167-C178 HydrophobicContact CG2-CB 4.47Å; V167-F180 HydrophobicContact CG1-CB 4.38Å; V167-N182 PolarHBondContact N-OD1 3.09Å; V167-N182 PolarHBondContact O-ND2 3.07Å
168D97.3Very high95.8Very high1 Ų168.3 Ų68.31%0.00534%0.342CS..  trans-108.6-177.617077.6-8.8000112.7H18 P48 L49 H51 D170 D171 H172 F180H18-D168 IonicContact CE1-OD2 3.95Å; H18-D168 IonicContact NE2-OD2 3.48Å; H18-D168 PolarHBondContact NE2-OD2 2.86Å; P48-D168 HydrophobicContact CB-CB 3.49Å; P48-D168 VanDerWaalsContact CB-CB 3.49Å; L49-D168 WeakPolarHBondContact O-CB 3.33Å; H51-D168 IonicContact CE1-OD1 3.25Å; H51-D168 PolarHBondContact CE1-OD1 3.33Å; H51-D168 IonicContact CE1-OD2 2.95Å; H51-D168 IonicContact CG-OD2 3.64Å; H51-D168 PolarHBondContact N-OD2 3.44Å; H51-D168 IonicContact ND1-OD1 3.93Å; H51-D168 PolarHBondContact ND1-OD1 3.37Å; H51-D168 IonicContact ND1-OD2 2.74Å; H51-D168 PolarHBondContact ND1-OD2 3.26Å; D168-D170 VanDerWaalsContact C-N 3.32Å; D168-D170 WeakPolarHBondContact OD1-CB 3.37Å; D168-D170 PolarHBondContact OD1-N 3.37Å; D168-D171 PolarHBondContact N-OD2 2.87Å; D168-D171 PolarHBondContact O-N 2.87Å; D168-D171 VanDerWaalsContact OD1-CG 3.28Å; D168-D171 PolarHBondContact OD1-N 3.41Å; D168-D171 VanDerWaalsContact OD1-OD2 3.13Å; D168-H172 PolarHBondContact O-N 3.43Å; D168-H172 VanDerWaalsContact O-N 3.14Å; D168-F180 WeakPolarHBondContact O-CB 3.42Å
169F96.6Very high96Very high2 Ų269.2 Ų69.21%0.00935%0.347CS..Hα-helixtrans-71-30.5-179-158.3-101.2000111.6P48 L49 F50 T62 A63 H172 L173 F180P48-F169 PolarHBondContact O-N 3.15Å; L49-F169 HydrophobicContact CD2-CB 4.01Å; L49-F169 HydrophobicContact CD2-CG 4.4Å; L49-F169 CarbonylContact O-C 3.51Å; L49-F169 VanDerWaalsContact O-CA 3.25Å; L49-F169 WeakPolarHBondContact O-CA 3.38Å; L49-F169 WeakPolarHBondContact O-CB 3.19Å; L49-F169 PolarHBondContact O-N 3.46Å; F50-F169 HydrophobicContact CE1-CB 4.32Å; F50-F169 AromaticContact CE1-CD1 3.82Å; F50-F169 HydrophobicContact CE1-CD1 3.82Å; F50-F169 HydrophobicContact CZ-CD1 4.25Å; T62-F169 HydrophobicContact CG2-CZ 4.34Å; A63-F169 HydrophobicContact CB-CD1 3.69Å; A63-F169 HydrophobicContact CB-CD2 4.14Å; A63-F169 HydrophobicContact CB-CE1 3.67Å; A63-F169 HydrophobicContact CB-CE2 4.14Å; A63-F169 HydrophobicContact CB-CG 3.92Å; A63-F169 HydrophobicContact CB-CZ 3.9Å; F169-H172 PolarHBondContact O-N 3.32Å; F169-L173 HydrophobicContact CD1-CD1 3.82Å; F169-L173 HydrophobicContact CD1-CD2 4.35Å; F169-L173 HydrophobicContact CD1-CG 3.89Å; F169-L173 HydrophobicContact CE1-CD1 3.99Å; F169-L173 HydrophobicContact CE1-CD2 3.81Å; F169-L173 HydrophobicContact CE1-CG 3.87Å; F169-L173 HydrophobicContact CZ-CD2 4.41Å; F169-L173 VanDerWaalsContact O-CG 3.26Å; F169-L173 WeakPolarHBondContact O-CG 3.4Å; F169-L173 PolarHBondContact O-N 3.34Å; F169-F180 HydrophobicContact CD2-CB 4.42Å; F169-F180 AromaticContact CD2-CD1 3.92Å; F169-F180 HydrophobicContact CD2-CD1 3.92Å; F169-F180 AromaticContact CD2-CD2 3.7Å; F169-F180 HydrophobicContact CD2-CD2 3.7Å; F169-F180 HydrophobicContact CD2-CE1 4.06Å; F169-F180 AromaticContact CD2-CE2 3.85Å; F169-F180 HydrophobicContact CD2-CE2 3.85Å; F169-F180 AromaticContact CD2-CG 3.75Å; F169-F180 HydrophobicContact CD2-CG 3.75Å; F169-F180 HydrophobicContact CD2-CZ 4.03Å; F169-F180 HydrophobicContact CE2-CD1 4.2Å; F169-F180 HydrophobicContact CE2-CD2 4.42Å; F169-F180 AromaticContact CE2-CE1 3.94Å; F169-F180 HydrophobicContact CE2-CE1 3.94Å; F169-F180 HydrophobicContact CE2-CE2 4.17Å; F169-F180 HydrophobicContact CE2-CG 4.44Å; F169-F180 AromaticContact CE2-CZ 3.93Å; F169-F180 HydrophobicContact CE2-CZ 3.93Å
170D95.3Very high96.3Very high17 Ų1762.4 Ų62.49%0.09132%0.315CS..Hα-helixtrans-60.7-45.3170.7-88.8-21.7000111.6L49 F50 H51 S52 D168 H172 L173 N174L49-D170 PolarHBondContact O-N 3.44Å; F50-D170 WeakPolarHBondContact CA-OD2 3.47Å; F50-D170 WeakPolarHBondContact CD1-OD1 3.36Å; H51-D170 WeakPolarHBondContact CE1-CB 3.16Å; H51-D170 IonicContact CG-OD2 3.88Å; H51-D170 PolarHBondContact N-OD2 3.13Å; H51-D170 IonicContact ND1-OD2 3.38Å; S52-D170 PolarHBondContact N-OD2 3.26Å; S52-D170 PolarHBondContact OG-OD2 3.38Å; D168-D170 VanDerWaalsContact C-N 3.32Å; D168-D170 WeakPolarHBondContact OD1-CB 3.37Å; D168-D170 PolarHBondContact OD1-N 3.37Å; D170-H172 VanDerWaalsContact C-N 3.3Å; D170-H172 PolarHBondContact O-N 3.03Å; D170-L173 PolarHBondContact O-N 3.09Å; D170-N174 PolarHBondContact O-N 3.09Å; D170-N174 PolarHBondContact O-ND2 3.42Å
171D96Very high96.3Very high35 Ų3558.4 Ų58.419%0.18730%0.295CS..Hα-helixtrans-59-42.3173.6-65.6-53.2000111.5K21 H51 V167 D168 N174 D175 C178K21-D171 VanDerWaalsContact NZ-CG 3.33Å; K21-D171 IonicContact NZ-OD1 3.83Å; K21-D171 PolarHBondContact NZ-OD1 3.05Å; K21-D171 IonicContact NZ-OD2 3.72Å; K21-D171 PolarHBondContact NZ-OD2 2.7Å; H51-D171 IonicContact CE1-OD1 2.66Å; V167-D171 WeakPolarHBondContact CA-OD2 3.31Å; V167-D171 HydrophobicContact CG1-CB 3.8Å; D168-D171 PolarHBondContact N-OD2 2.87Å; D168-D171 PolarHBondContact O-N 2.87Å; D168-D171 VanDerWaalsContact OD1-CG 3.28Å; D168-D171 PolarHBondContact OD1-N 3.41Å; D168-D171 VanDerWaalsContact OD1-OD2 3.13Å; D171-N174 PolarHBondContact O-N 3.04Å; D171-D175 PolarHBondContact O-N 3.28Å; D171-C178 HydrophobicContact CB-CB 4.5Å
172H96Very high96.5Very high37 Ų3753.6 Ų53.617%0.17127%0.274CS..Hα-helixtrans-66.5-36.4178.5-179.276.7000113.3D168 F169 D170 N174 D175 V176 C178 F180D168-H172 PolarHBondContact O-N 3.43Å; D168-H172 VanDerWaalsContact O-N 3.14Å; F169-H172 PolarHBondContact O-N 3.32Å; D170-H172 VanDerWaalsContact C-N 3.3Å; D170-H172 PolarHBondContact O-N 3.03Å; H172-N174 PolarHBondContact O-N 3.48Å; H172-D175 WeakPolarHBondContact CA-O 3.44Å; H172-D175 CarbonylContact O-C 3.47Å; H172-D175 PolarHBondContact O-N 2.77Å; H172-V176 PolarHBondContact CE1-O 3.22Å; H172-V176 PolarHBondContact ND1-O 3.18Å; H172-V176 WeakPolarHBondContact O-CA 3.47Å; H172-V176 PolarHBondContact O-N 2.97Å; H172-C178 PolarHBondContact ND1-O 2.69Å; H172-F180 HydrophobicContact CB-CB 4.13Å; H172-F180 HydrophobicContact CB-CD1 4.21Å; H172-F180 AromaticContact CG-CD1 3.85Å
173L93.5Very high96.5Very high73 Ų7356.1 Ų56.138%0.38229%0.286SS..Hα-helixtrans-66.3-30.6175-72.2173.4000111.8M59 F169 D170M59-L173 HydrophobicContact CB-CD1 4.41Å; M59-L173 HydrophobicContact CG-CD1 4.21Å; M59-L173 HydrophobicContact SD-CD1 3.63Å; M59-L173 HydrophobicContact SD-CD2 4.3Å; F169-L173 HydrophobicContact CD1-CD1 3.82Å; F169-L173 HydrophobicContact CD1-CD2 4.35Å; F169-L173 HydrophobicContact CD1-CG 3.89Å; F169-L173 HydrophobicContact CE1-CD1 3.99Å; F169-L173 HydrophobicContact CE1-CD2 3.81Å; F169-L173 HydrophobicContact CE1-CG 3.87Å; F169-L173 HydrophobicContact CZ-CD2 4.41Å; F169-L173 VanDerWaalsContact O-CG 3.26Å; F169-L173 WeakPolarHBondContact O-CG 3.4Å; F169-L173 PolarHBondContact O-N 3.34Å; D170-L173 PolarHBondContact O-N 3.09Å
174N93.4Very high96.5Very high140 Ų14060.9 Ų60.975%0.74931%0.309SS*.Hα-helixtrans-78.7-39.4174.9-70.3-52.4000112.7D170 D171 H172D170-N174 PolarHBondContact O-N 3.09Å; D170-N174 PolarHBondContact O-ND2 3.42Å; D171-N174 PolarHBondContact O-N 3.04Å; H172-N174 PolarHBondContact O-N 3.48Å
175D96.3Very high96.5Very high74 Ų7453.6 Ų53.640%0.39628%0.282SS..  trans-138.8109173.3-179.4-0.5000110.3D171 H172 N177 C178D171-D175 PolarHBondContact O-N 3.28Å; H172-D175 WeakPolarHBondContact CA-O 3.44Å; H172-D175 CarbonylContact O-C 3.47Å; H172-D175 PolarHBondContact O-N 2.77Å; D175-N177 PolarHBondContact O-N 3.11Å; D175-N177 WeakPolarHBondContact OD1-CB 3.23Å; D175-N177 PolarHBondContact OD1-N 2.9Å; D175-N177 PolarHBondContact OD1-ND2 3.5Å; D175-C178 WeakPolarHBondContact O-CB 3.43Å; D175-C178 PolarHBondContact O-N 2.9Å
176V95.5Very high96.5Very high105 Ų10548.5 Ų48.564%0.63626%0.26SS*.THydrogen-bonded Turntrans-62.5-12.1-177.1-61.70000114H172 C178H172-V176 PolarHBondContact CE1-O 3.22Å; H172-V176 PolarHBondContact ND1-O 3.18Å; H172-V176 WeakPolarHBondContact O-CA 3.47Å; H172-V176 PolarHBondContact O-N 2.97Å; V176-C178 VanDerWaalsContact C-N 3.31Å
177N96.7Very high96.4Very high137 Ų13754.6 Ų54.673%0.73329%0.287SS*.THydrogen-bonded Turntrans-80.6-14.2173.9-57.2-70000112.8D175 D179D175-N177 PolarHBondContact O-N 3.11Å; D175-N177 WeakPolarHBondContact OD1-CB 3.23Å; D175-N177 PolarHBondContact OD1-N 2.9Å; D175-N177 PolarHBondContact OD1-ND2 3.5Å; N177-D179 PolarHBondContact O-N 3.35Å
178C97.1Very high96.2Very high38 Ų3856.4 Ų56.426%0.25730%0.3SS..SBendtrans-72.4122.8177.1-69.20000110.6V167 D171 H172 D175 V176 F180V167-C178 HydrophobicContact CG1-CB 3.6Å; V167-C178 HydrophobicContact CG2-CB 4.47Å; D171-C178 HydrophobicContact CB-CB 4.5Å; H172-C178 PolarHBondContact ND1-O 2.69Å; D175-C178 WeakPolarHBondContact O-CB 3.43Å; D175-C178 PolarHBondContact O-N 2.9Å; V176-C178 VanDerWaalsContact C-N 3.31Å; C178-F180 PolarHBondContact O-N 3.13Å
179D97.3Very high96Very high58 Ų5856.6 Ų56.631%0.3130%0.301SS..  trans-83.591-177175.721.7000112.4N177 L181 N182 L183N177-D179 PolarHBondContact O-N 3.35Å; D179-L181 PolarHBondContact O-N 3.04Å; D179-L181 WeakPolarHBondContact OD1-CA 3.4Å; D179-L181 VanDerWaalsContact OD1-CB 3.31Å; D179-L181 WeakPolarHBondContact OD1-CB 3.42Å; D179-L181 PolarHBondContact OD1-N 3.11Å; D179-N182 WeakPolarHBondContact O-CA 3.35Å; D179-N182 PolarHBondContact O-N 3.41Å; D179-N182 PolarHBondContact OD1-N 3.27Å; D179-N182 PolarHBondContact OD2-N 3.37Å; D179-L183 PolarHBondContact OD2-N 3.28Å
180F97.4Very high95.5Very high16 Ų1660.8 Ų60.87%0.0733%0.33CS..THydrogen-bonded Turntrans-66.6-17.5176.778.6-85.2000113.8I47 H66 I67 V167 D168 F169 H172 C178 N182I47-F180 HydrophobicContact CG2-CD2 3.57Å; I47-F180 HydrophobicContact CG2-CE2 3.81Å; H66-F180 HydrophobicContact CB-CZ 4.12Å; I67-F180 HydrophobicContact CG1-CE2 4.26Å; V167-F180 HydrophobicContact CG1-CB 4.38Å; D168-F180 WeakPolarHBondContact O-CB 3.42Å; F169-F180 HydrophobicContact CD2-CB 4.42Å; F169-F180 AromaticContact CD2-CD1 3.92Å; F169-F180 HydrophobicContact CD2-CD1 3.92Å; F169-F180 AromaticContact CD2-CD2 3.7Å; F169-F180 HydrophobicContact CD2-CD2 3.7Å; F169-F180 HydrophobicContact CD2-CE1 4.06Å; F169-F180 AromaticContact CD2-CE2 3.85Å; F169-F180 HydrophobicContact CD2-CE2 3.85Å; F169-F180 AromaticContact CD2-CG 3.75Å; F169-F180 HydrophobicContact CD2-CG 3.75Å; F169-F180 HydrophobicContact CD2-CZ 4.03Å; F169-F180 HydrophobicContact CE2-CD1 4.2Å; F169-F180 HydrophobicContact CE2-CD2 4.42Å; F169-F180 AromaticContact CE2-CE1 3.94Å; F169-F180 HydrophobicContact CE2-CE1 3.94Å; F169-F180 HydrophobicContact CE2-CE2 4.17Å; F169-F180 HydrophobicContact CE2-CG 4.44Å; F169-F180 AromaticContact CE2-CZ 3.93Å; F169-F180 HydrophobicContact CE2-CZ 3.93Å; H172-F180 HydrophobicContact CB-CB 4.13Å; H172-F180 HydrophobicContact CB-CD1 4.21Å; H172-F180 AromaticContact CG-CD1 3.85Å; C178-F180 PolarHBondContact O-N 3.13Å; F180-N182 PolarHBondContact O-N 3.35Å; F180-N182 PolarHBondContact O-ND2 3.16Å
181L97.6Very high94.5Very high26 Ų2667.6 Ų67.614%0.13637%0.371CS..THydrogen-bonded Turntrans-75.3-15.8171.9-57.5174.8000111.6K14 I47 Y70 D179 L183K14-L181 PolarHBondContact NZ-O 3.22Å; I47-L181 HydrophobicContact CD1-CD2 3.62Å; I47-L181 HydrophobicContact CG1-CD2 4.36Å; Y70-L181 HydrophobicContact CD1-CD2 4.12Å; Y70-L181 HydrophobicContact CD2-CD1 3.65Å; Y70-L181 HydrophobicContact CD2-CD2 4.31Å; Y70-L181 HydrophobicContact CE1-CD2 4.35Å; Y70-L181 HydrophobicContact CE2-CD1 3.78Å; Y70-L181 HydrophobicContact CG-CD1 4.23Å; Y70-L181 HydrophobicContact CG-CD2 4.09Å; D179-L181 PolarHBondContact O-N 3.04Å; D179-L181 WeakPolarHBondContact OD1-CA 3.4Å; D179-L181 VanDerWaalsContact OD1-CB 3.31Å; D179-L181 WeakPolarHBondContact OD1-CB 3.42Å; D179-L181 PolarHBondContact OD1-N 3.11Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 HydrophobicContact CB-CD2 3.99Å; L181-L183 HydrophobicContact CB-CG 3.95Å; L181-L183 PolarHBondContact O-N 2.66Å
182N98.1Very high94.4Very high5 Ų569.2 Ų69.23%0.02738%0.381CS..  trans55.839.7176.8-70.6-87.5000112.5I166 V167 D179 F180 Q184 L185 S186I166-N182 WeakPolarHBondContact CA-OD1 3.33Å; I166-N182 WeakPolarHBondContact CG1-OD1 3.05Å; V167-N182 PolarHBondContact N-OD1 3.09Å; V167-N182 PolarHBondContact O-ND2 3.07Å; D179-N182 WeakPolarHBondContact O-CA 3.35Å; D179-N182 PolarHBondContact O-N 3.41Å; D179-N182 PolarHBondContact OD1-N 3.27Å; D179-N182 PolarHBondContact OD2-N 3.37Å; F180-N182 PolarHBondContact O-N 3.35Å; F180-N182 PolarHBondContact O-ND2 3.16Å; N182-Q184 VanDerWaalsContact C-N 3.34Å; N182-Q184 PolarHBondContact O-N 3.49Å; N182-L185 HydrophobicContact CB-CB 4.16Å; N182-L185 HydrophobicContact CB-CD2 4.36Å; N182-L185 PolarHBondContact O-N 3.05Å; N182-S186 WeakPolarHBondContact O-CB 3.34Å; N182-S186 PolarHBondContact O-N 2.77Å; N182-S186 PolarHBondContact O-OG 3.06Å
183L96.6Very high94.3Very high69 Ų6970.9 Ų70.936%0.36139%0.392SS..Hα-helixtrans-62.5-39.1-170.6-62.5179.3000112.7D179 L181 K187D179-L183 PolarHBondContact OD2-N 3.28Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 HydrophobicContact CB-CD2 3.99Å; L181-L183 HydrophobicContact CB-CG 3.95Å; L181-L183 PolarHBondContact O-N 2.66Å; L183-K187 WeakPolarHBondContact O-CG 3.47Å; L183-K187 PolarHBondContact O-N 3.37Å
184Q96.1Very high94.4Very high135 Ų13570.8 Ų70.863%0.63139%0.392SS*.Hα-helixtrans-74-42.6177.3-64.3-61.3-16.700111.7N182 S186 K187 S188N182-Q184 VanDerWaalsContact C-N 3.34Å; N182-Q184 PolarHBondContact O-N 3.49Å; Q184-S186 VanDerWaalsContact C-N 3.33Å; Q184-S186 PolarHBondContact O-N 3.25Å; Q184-K187 PolarHBondContact O-N 2.84Å; Q184-S188 PolarHBondContact O-N 3.11Å; Q184-S188 VanDerWaalsContact O-N 3.14Å
185L97.1Very high94.5Very high12 Ų1266.7 Ų66.76%0.06337%0.371CS..Hα-helixtrans-60.2-44.6175.7177.763.2000110.5L17 V162 Q165 I166 N182 K187 S188 L189L17-L185 HydrophobicContact CD1-CD2 4.47Å; V162-L185 HydrophobicContact CG1-CD1 3.64Å; Q165-L185 HydrophobicContact CB-CD1 4.48Å; I166-L185 HydrophobicContact CB-CD2 3.84Å; I166-L185 HydrophobicContact CG1-CD2 3.93Å; N182-L185 HydrophobicContact CB-CB 4.16Å; N182-L185 HydrophobicContact CB-CD2 4.36Å; N182-L185 PolarHBondContact O-N 3.05Å; L185-K187 VanDerWaalsContact C-N 3.3Å; L185-K187 PolarHBondContact O-N 3.47Å; L185-S188 PolarHBondContact O-N 3.35Å; L185-S188 VanDerWaalsContact O-N 3.09Å; L185-S188 PolarHBondContact O-OG 3.33Å; L185-L189 HydrophobicContact CD1-CD1 4.21Å; L185-L189 HydrophobicContact CD1-CG 4.18Å; L185-L189 HydrophobicContact CG-CD1 3.95Å; L185-L189 HydrophobicContact CG-CG 4.34Å; L185-L189 WeakPolarHBondContact O-CG 2.95Å; L185-L189 PolarHBondContact O-N 3.38Å
186S96.7Very high94.3Very high13 Ų1366.3 Ų66.39%0.09137%0.37CS..Hα-helixtrans-54.4-45.3175.4-63.50000112.5K14 N182 Q184 S188 L189 C190K14-S186 WeakPolarHBondContact CE-OG 3.43Å; K14-S186 PolarHBondContact NZ-OG 3.06Å; N182-S186 WeakPolarHBondContact O-CB 3.34Å; N182-S186 PolarHBondContact O-N 2.77Å; N182-S186 PolarHBondContact O-OG 3.06Å; Q184-S186 VanDerWaalsContact C-N 3.33Å; Q184-S186 PolarHBondContact O-N 3.25Å; S186-S188 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 3.47Å; S186-L189 PolarHBondContact O-N 3.27Å; S186-C190 PolarHBondContact O-N 2.98Å; S186-C190 VanDerWaalsContact O-N 3.15Å; S186-C190 PolarHBondContact O-SG 3.05Å; S186-C190 VanDerWaalsContact O-SG 3.34Å
187K95.5Very high94.3Very high129 Ų12963.7 Ų63.756%0.56135%0.352SS*.Hα-helixtrans-60.5-44.8177.7-71.3170.8-174.4175.30111.2L183 Q184 L185 L189 C190 V191L183-K187 WeakPolarHBondContact O-CG 3.47Å; L183-K187 PolarHBondContact O-N 3.37Å; Q184-K187 PolarHBondContact O-N 2.84Å; L185-K187 VanDerWaalsContact C-N 3.3Å; L185-K187 PolarHBondContact O-N 3.47Å; K187-L189 VanDerWaalsContact C-N 3.3Å; K187-L189 PolarHBondContact O-N 2.95Å; K187-C190 PolarHBondContact O-N 3.14Å; K187-V191 WeakPolarHBondContact O-CG2 3.49Å
188S94.6Very high94.1Very high63 Ų6358.4 Ų58.444%0.44133%0.325SS..Hα-helixtrans-65.8-31.7178.374.50000113.2Q184 L185 S186 C190Q184-S188 PolarHBondContact O-N 3.11Å; Q184-S188 VanDerWaalsContact O-N 3.14Å; L185-S188 PolarHBondContact O-N 3.35Å; L185-S188 VanDerWaalsContact O-N 3.09Å; L185-S188 PolarHBondContact O-OG 3.33Å; S186-S188 VanDerWaalsContact C-N 3.33Å; S186-S188 PolarHBondContact O-N 3.47Å; S188-C190 VanDerWaalsContact C-N 3.31Å
189L93.5Very high93.9Very high5 Ų560 Ų603%0.02633%0.33CS..Hα-helixtrans-78.9-10.7177.7-68.3175.6000113.5L10 L13 K14 L17 K153 I157 V162 L185 S186 K187L10-L189 HydrophobicContact CD1-CB 3.99Å; L10-L189 HydrophobicContact CD1-CD1 4.16Å; L13-L189 HydrophobicContact CB-CD1 4.42Å; L13-L189 HydrophobicContact CD1-CD2 4.37Å; K14-L189 HydrophobicContact CG-CD1 4.21Å; L17-L189 HydrophobicContact CD1-CD1 3.89Å; L17-L189 HydrophobicContact CD1-CD2 4.33Å; K153-L189 WeakPolarHBondContact CE-O 3.46Å; K153-L189 PolarHBondContact NZ-O 2.7Å; I157-L189 HydrophobicContact CD1-CD2 4.18Å; I157-L189 HydrophobicContact CG2-CD2 4.03Å; V162-L189 HydrophobicContact CG1-CD2 4.49Å; L185-L189 HydrophobicContact CD1-CD1 4.21Å; L185-L189 HydrophobicContact CD1-CG 4.18Å; L185-L189 HydrophobicContact CG-CD1 3.95Å; L185-L189 HydrophobicContact CG-CG 4.34Å; L185-L189 WeakPolarHBondContact O-CG 2.95Å; L185-L189 PolarHBondContact O-N 3.38Å; S186-L189 PolarHBondContact O-N 3.27Å; K187-L189 VanDerWaalsContact C-N 3.3Å; K187-L189 PolarHBondContact O-N 2.95Å
190C84.7Confident93.6Very high89 Ų8960.2 Ų60.260%0.60133%0.331SS*.THydrogen-bonded Turntrans-97.6-3.9177.2-70.10000113.9S186 K187 S188S186-C190 PolarHBondContact O-N 2.98Å; S186-C190 VanDerWaalsContact O-N 3.15Å; S186-C190 PolarHBondContact O-SG 3.05Å; S186-C190 VanDerWaalsContact O-SG 3.34Å; K187-C190 PolarHBondContact O-N 3.14Å; S188-C190 VanDerWaalsContact C-N 3.31Å
191V75Confident93.2Very high160 Ų16064.2 Ų64.297%0.9736%0.355SS*.  trans-83.10174.1-170.80000110.6K153 K187K153-V191 WeakPolarHBondContact CE-OXT 3.36Å; K153-V191 PolarHBondContact NZ-OXT 2.66Å; K187-V191 WeakPolarHBondContact O-CG2 3.49Å

Retrieved 191 of 191 residues in 517.3 ms (Link to these results)

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