G4VB51_SCHMA Loading...

Protein KTI12 homolog

AlphaFold DB , UniProt , Accession G4VB51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 316 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
1M69.5Low92.1Very high53 Ų538.9 Ų8.926%0.2615%0.045SC..  01560-65.2-49.9174.800109.8Y32 Q85 H113 Q114 L189 K192M1-Y32 HydrophobicContact CE-CE1 4.13Å; M1-Y32 HydrophobicContact SD-CE1 3.84Å; M1-Q85 WeakPolarHBondContact CE-O 3.43Å; M1-Q85 WeakPolarHBondContact CG-O 3.5Å; M1-H113 PolarHBondContact N-ND1 2.81Å; M1-H113 VanDerWaalsContact N-ND1 3.13Å; M1-H113 WeakPolarHBondContact O-CA 3.47Å; M1-H113 WeakPolarHBondContact O-CB 3.16Å; M1-H113 VanDerWaalsContact O-CG 3.27Å; M1-H113 PolarHBondContact O-ND1 3.04Å; M1-Q114 PolarHBondContact O-N 3.27Å; M1-L189 HydrophobicContact SD-CD2 4.4Å; M1-K192 HydrophobicContact CE-CD 4.46Å; M1-K192 HydrophobicContact SD-CD 4.44Å; M1-K192 WeakPolarHBondContact SD-CE 3.33Å; M1-K192 PolarHBondContact SD-NZ 2.95Å
2P84.5Confident92.3Very high6 Ų68.3 Ų8.34%0.0394%0.042CC..EExtended strand (participates in β ladder)trans-81.8132.6-171.629.3-31.2000112.6I88 V89 Q114 I116 L189P2-I88 HydrophobicContact CG-CG1 4.26Å; P2-I88 HydrophobicContact CG-CG2 4.36Å; P2-V89 PolarHBondContact O-N 3.15Å; P2-Q114 CarbonylContact C-O 3.57Å; P2-Q114 VanDerWaalsContact CA-O 3.23Å; P2-Q114 WeakPolarHBondContact CA-O 3.36Å; P2-I116 HydrophobicContact CB-CD1 3.85Å; P2-I116 HydrophobicContact CB-CG1 4.39Å; P2-L189 HydrophobicContact CG-CD2 3.69Å; P2-L189 HydrophobicContact CG-CG 4.32Å
3L94.1Very high92.4Very high0 Ų08.8 Ų8.80%05%0.051CC..EExtended strand (participates in β ladder)trans-82.3121.1152170.958.4000107.5V77 L81 V89 M91 L104 M107 A108 Q114 Q115 I116L3-V77 HydrophobicContact CD1-CG1 3.53Å; L3-V77 HydrophobicContact CD2-CG1 3.92Å; L3-V77 HydrophobicContact CG-CG1 4.34Å; L3-L81 HydrophobicContact CB-CD1 4.27Å; L3-L81 HydrophobicContact CB-CD2 4.21Å; L3-L81 HydrophobicContact CD2-CD1 4.45Å; L3-V89 CarbonylContact C-O 3.54Å; L3-V89 WeakPolarHBondContact CA-O 3.48Å; L3-V89 HydrophobicContact CD1-CB 4.31Å; L3-V89 HydrophobicContact CD1-CG1 4.13Å; L3-M91 HydrophobicContact CD1-CB 4.29Å; L3-L104 HydrophobicContact CD2-CB 4.5Å; L3-M107 HydrophobicContact CD2-CE 4.32Å; L3-A108 HydrophobicContact CB-CB 4.37Å; L3-A108 HydrophobicContact CD2-CB 4.1Å; L3-Q114 PolarHBondContact N-O 3.17Å; L3-Q115 HydrophobicContact CD2-CG 4.29Å; L3-Q115 HydrophobicContact CG-CG 4.38Å; L3-Q115 CarbonylContact O-C 3.58Å; L3-Q115 WeakPolarHBondContact O-CA 3.49Å; L3-I116 PolarHBondContact O-N 3.29Å
4I95.4Very high92.6Very high0 Ų09 Ų90%05%0.051CC..EExtended strand (participates in β ladder)trans-99.8111.7172.7-57.7176.3000107.3L6 L21 L25 I88 V89 I90 M91 I116 L118 I185I4-L6 HydrophobicContact CG2-CD1 4.4Å; I4-L21 HydrophobicContact CD1-CD2 4.36Å; I4-L21 HydrophobicContact CG2-CD2 4.23Å; I4-L25 HydrophobicContact CD1-CD1 4.06Å; I4-I88 HydrophobicContact CD1-CG2 3.68Å; I4-I88 HydrophobicContact CG1-CG2 4.22Å; I4-V89 PolarHBondContact N-O 3.08Å; I4-I90 HydrophobicContact CB-CG1 4.26Å; I4-I90 HydrophobicContact CB-CG2 4.39Å; I4-I90 HydrophobicContact CD1-CG1 4.25Å; I4-I90 HydrophobicContact CG2-CG2 4.37Å; I4-I90 CarbonylContact O-C 3.52Å; I4-I90 WeakPolarHBondContact O-CA 3.43Å; I4-M91 PolarHBondContact O-N 3.35Å; I4-I116 HydrophobicContact CG1-CB 4.45Å; I4-L118 HydrophobicContact CG2-CD1 3.46Å; I4-L118 VanDerWaalsContact CG2-CD1 3.46Å; I4-L118 HydrophobicContact CG2-CG 3.84Å; I4-I185 HydrophobicContact CD1-CD1 3.74Å
5L95.8Very high92.6Very high0 Ų012.3 Ų12.30%08%0.075CC..EExtended strand (participates in β ladder)trans-99.7115.4-179.6-172.972.8000109.1M91 N95 R101 L104 Q115 I116 V117 L118L5-M91 HydrophobicContact CD1-CB 4.02Å; L5-M91 HydrophobicContact CD1-CG 4.06Å; L5-M91 HydrophobicContact CD1-SD 3.49Å; L5-M91 WeakPolarHBondContact CD1-SD 3.34Å; L5-N95 HydrophobicContact CD1-CB 4.23Å; L5-N95 WeakPolarHBondContact CD1-ND2 3.32Å; L5-N95 HydrophobicContact CD2-CB 4.43Å; L5-N95 HydrophobicContact CG-CB 4.32Å; L5-R101 HydrophobicContact CD2-CB 4.06Å; L5-R101 HydrophobicContact CD2-CG 3.85Å; L5-L104 HydrophobicContact CD1-CD1 3.57Å; L5-L104 HydrophobicContact CD2-CD1 4.41Å; L5-Q115 HydrophobicContact CB-CG 4.4Å; L5-I116 PolarHBondContact N-O 2.97Å; L5-V117 HydrophobicContact CD2-CG2 4.44Å; L5-V117 CarbonylContact O-C 3.59Å; L5-V117 WeakPolarHBondContact O-CA 3.48Å; L5-L118 PolarHBondContact O-N 3.21Å
6L96.3Very high92.6Very high1 Ų117.1 Ų17.11%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-81145164.8-81.181000110I4 K14 I17 V18 I90 M91 N95 L118I4-L6 HydrophobicContact CG2-CD1 4.4Å; L6-K14 HydrophobicContact CB-CD 4.05Å; L6-K14 HydrophobicContact CB-CG 4.22Å; L6-K14 HydrophobicContact CD2-CB 3.73Å; L6-K14 HydrophobicContact CD2-CG 3.92Å; L6-K14 WeakPolarHBondContact CD2-O 3.38Å; L6-I17 HydrophobicContact CD2-CB 4.06Å; L6-I17 HydrophobicContact CD2-CG2 3.98Å; L6-V18 HydrophobicContact CD1-CG2 3.43Å; L6-V18 VanDerWaalsContact CD1-CG2 3.43Å; L6-V18 HydrophobicContact CD2-CG2 3.47Å; L6-V18 VanDerWaalsContact CD2-CG2 3.47Å; L6-V18 HydrophobicContact CG-CG2 4.03Å; L6-I90 HydrophobicContact CD1-CG2 3.7Å; L6-M91 PolarHBondContact N-O 2.79Å; L6-N95 WeakPolarHBondContact O-CB 3.34Å; L6-N95 PolarHBondContact O-ND2 3.46Å; L6-L118 CarbonylContact C-O 3.54Å; L6-L118 WeakPolarHBondContact CA-O 3.39Å; L6-L118 HydrophobicContact CD1-CD1 4.3Å; L6-L118 HydrophobicContact CG-CB 4.16Å
7C96.2Very high92.7Very high0 Ų016.1 Ų16.10%010%0.098CC..EExtended strand (participates in β ladder)trans-139.7152.7168.466.20000110.2P94 N95 L118 S120C7-P94 WeakPolarHBondContact CA-O 3.05Å; C7-N95 HydrophobicContact CB-CB 4.02Å; C7-L118 PolarHBondContact N-O 2.92Å; C7-S120 PolarHBondContact O-N 3.37Å
8G96.7Very high92.8Very high0 Ų015.4 Ų15.40%09%0.094CC..  trans154.5169.1179.300000111.4K14 P94 F149G8-K14 PolarHBondContact O-NZ 2.75Å; G8-P94 PolarHBondContact N-O 3.28Å; G8-P94 VanDerWaalsContact N-O 3.09Å; G8-F149 VanDerWaalsContact CA-CE2 3.46Å
9Y96.9Very high92.9Very high23 Ų2318.1 Ų18.19%0.0911%0.113CC..SBendtrans-52.1154.5-179.5-61.9-35.8000113.3S12 K14 I122 P124 I146 F149Y9-S12 WeakPolarHBondContact O-CB 3.37Å; Y9-S12 PolarHBondContact O-N 3.21Å; Y9-S12 PolarHBondContact O-OG 3.5Å; Y9-K14 PolarHBondContact O-NZ 3.1Å; Y9-I122 HydrophobicContact CD2-CG1 4.08Å; Y9-I122 WeakPolarHBondContact CD2-O 3.45Å; Y9-I122 WeakPolarHBondContact CE2-O 3.4Å; Y9-P124 HydrophobicContact CE2-CG 3.91Å; Y9-I146 HydrophobicContact CD1-CB 4.43Å; Y9-I146 HydrophobicContact CD1-CG1 4.16Å; Y9-I146 HydrophobicContact CD1-CG2 4.17Å; Y9-I146 HydrophobicContact CE1-CG2 3.91Å; Y9-I146 HydrophobicContact CG-CG1 4.19Å; Y9-F149 HydrophobicContact CD1-CB 3.78Å; Y9-F149 AromaticContact CD1-CD1 3.81Å; Y9-F149 HydrophobicContact CD1-CD1 3.81Å; Y9-F149 HydrophobicContact CD1-CD2 4.12Å; Y9-F149 HydrophobicContact CD1-CE1 4.44Å; Y9-F149 AromaticContact CD1-CG 3.64Å; Y9-F149 HydrophobicContact CD1-CG 3.64Å; Y9-F149 HydrophobicContact CE1-CB 3.61Å; Y9-F149 AromaticContact CE1-CD1 3.28Å; Y9-F149 HydrophobicContact CE1-CD1 3.28Å; Y9-F149 HydrophobicContact CE1-CD2 4.4Å; Y9-F149 HydrophobicContact CE1-CE1 4.04Å; Y9-F149 AromaticContact CE1-CG 3.51Å; Y9-F149 HydrophobicContact CE1-CG 3.51Å
10P93.9Very high92.9Very high2 Ų219.6 Ų19.61%0.01312%0.12CC..THydrogen-bonded Turntrans-51.6149166.5-19.932.5000110.1S12 S127 Y137 L142 M145P10-S12 PolarHBondContact O-N 3.47Å; P10-S12 VanDerWaalsContact O-N 3.08Å; P10-S127 PolarHBondContact O-OG 3.2Å; P10-Y137 HydrophobicContact CB-CD2 4.07Å; P10-Y137 HydrophobicContact CB-CE2 3.7Å; P10-L142 HydrophobicContact CB-CD1 3.67Å; P10-L142 HydrophobicContact CG-CD1 4.01Å; P10-M145 HydrophobicContact CB-CE 4.29Å; P10-M145 HydrophobicContact CB-SD 4.43Å; P10-M145 HydrophobicContact CG-CB 3.64Å; P10-M145 HydrophobicContact CG-CE 3.56Å; P10-M145 HydrophobicContact CG-CG 4.36Å; P10-M145 HydrophobicContact CG-SD 3.8Å
11C93.7Very high92.9Very high13 Ų1318.7 Ų18.79%0.08811%0.114CC..THydrogen-bonded Turntrans56.430.1178.4-54.70000114.5N131C11-N131 HydrophobicContact CB-CB 4.31Å
12S94.7Very high94.1Very high1 Ų116.2 Ų16.21%0.00710%0.103CC..SBendtrans-91.89.7-178.673.80000116Y9 P10 K14 S120 P167Y9-S12 WeakPolarHBondContact O-CB 3.37Å; Y9-S12 PolarHBondContact O-N 3.21Å; Y9-S12 PolarHBondContact O-OG 3.5Å; P10-S12 PolarHBondContact O-N 3.47Å; P10-S12 VanDerWaalsContact O-N 3.08Å; S12-K14 PolarHBondContact OG-NZ 3.07Å; S12-K14 VanDerWaalsContact OG-NZ 3.16Å; S12-S120 WeakPolarHBondContact CB-OG 3.35Å; S12-S120 PolarHBondContact O-OG 3.08Å; S12-S120 PolarHBondContact OG-OG 2.74Å; S12-P167 WeakPolarHBondContact O-CG 3.4Å
13G93.2Very high94.5Very high15 Ų1519.3 Ų19.316%0.15512%0.119CC..SBendtrans81.510.9-177.900000115S15 T16 I17G13-S15 PolarHBondContact O-N 3.16Å; G13-T16 WeakPolarHBondContact O-CB 3.39Å; G13-T16 PolarHBondContact O-N 3.23Å; G13-I17 WeakPolarHBondContact O-CG1 3.41Å; G13-I17 PolarHBondContact O-N 3.11Å
14K95Very high94.5Very high12 Ų1219.9 Ų19.95%0.05212%0.122CC..Hα-helixtrans-49.3-50.9174.9-75.4-176.8-64.2-72.50113.1L6 G8 Y9 S12 T16 I17 V18 D92 A93L6-K14 HydrophobicContact CB-CD 4.05Å; L6-K14 HydrophobicContact CB-CG 4.22Å; L6-K14 HydrophobicContact CD2-CB 3.73Å; L6-K14 HydrophobicContact CD2-CG 3.92Å; L6-K14 WeakPolarHBondContact CD2-O 3.38Å; G8-K14 PolarHBondContact O-NZ 2.75Å; Y9-K14 PolarHBondContact O-NZ 3.1Å; S12-K14 PolarHBondContact OG-NZ 3.07Å; S12-K14 VanDerWaalsContact OG-NZ 3.16Å; K14-T16 PolarHBondContact O-N 3.04Å; K14-I17 CarbonylContact O-C 3.54Å; K14-I17 WeakPolarHBondContact O-CA 3.44Å; K14-I17 WeakPolarHBondContact O-CB 3.37Å; K14-I17 PolarHBondContact O-N 3.31Å; K14-V18 WeakPolarHBondContact O-CG2 3.3Å; K14-V18 PolarHBondContact O-N 3.38Å; K14-D92 WeakPolarHBondContact CB-OD1 3.42Å; K14-A93 WeakPolarHBondContact CD-O 3.23Å; K14-A93 WeakPolarHBondContact CE-O 3.4Å
15S93.3Very high94.4Very high59 Ų5919.9 Ų19.941%0.41312%0.122SC..Hα-helixtrans-61-34.1-179.6-50.20000112.7G13 V18 S19 D92G13-S15 PolarHBondContact O-N 3.16Å; S15-V18 PolarHBondContact O-N 2.77Å; S15-S19 PolarHBondContact O-N 3.5Å; S15-D92 VanDerWaalsContact CA-OD2 3.25Å; S15-D92 WeakPolarHBondContact CA-OD2 3.4Å; S15-D92 WeakPolarHBondContact CB-OD2 3.31Å; S15-D92 PolarHBondContact OG-OD2 3.01Å
16T92.7Very high94.3Very high88 Ų8825 Ų2554%0.5414%0.144SC..Hα-helixtrans-66.2-45.6173.4-50.80000111.2G13 K14 V18 S19 L20 W170G13-T16 WeakPolarHBondContact O-CB 3.39Å; G13-T16 PolarHBondContact O-N 3.23Å; K14-T16 PolarHBondContact O-N 3.04Å; T16-V18 VanDerWaalsContact C-N 3.31Å; T16-V18 PolarHBondContact O-N 2.74Å; T16-S19 PolarHBondContact O-N 2.86Å; T16-L20 PolarHBondContact O-N 3.2Å; T16-L20 VanDerWaalsContact O-N 3.08Å; T16-W170 HydrophobicContact CG2-CZ3 4.27Å
17I93.7Very high94.2Very high1 Ų131.7 Ų31.71%0.00518%0.176CC..Hα-helixtrans-58.3-45.1174.3-65164.7000110.3L6 G13 K14 L20 L21 I165 P167 W170 M178L6-I17 HydrophobicContact CD2-CB 4.06Å; L6-I17 HydrophobicContact CD2-CG2 3.98Å; G13-I17 WeakPolarHBondContact O-CG1 3.41Å; G13-I17 PolarHBondContact O-N 3.11Å; K14-I17 CarbonylContact O-C 3.54Å; K14-I17 WeakPolarHBondContact O-CA 3.44Å; K14-I17 WeakPolarHBondContact O-CB 3.37Å; K14-I17 PolarHBondContact O-N 3.31Å; I17-L20 PolarHBondContact O-N 3Å; I17-L21 WeakPolarHBondContact O-CB 3.4Å; I17-L21 PolarHBondContact O-N 3.43Å; I17-I165 HydrophobicContact CD1-CB 4.1Å; I17-I165 HydrophobicContact CD1-CD1 4.32Å; I17-I165 HydrophobicContact CD1-CG2 3.77Å; I17-I165 HydrophobicContact CG1-CG2 4.14Å; I17-I165 HydrophobicContact CG2-CD1 3.6Å; I17-P167 HydrophobicContact CD1-CB 4.4Å; I17-P167 HydrophobicContact CD1-CG 4.14Å; I17-W170 HydrophobicContact CB-CH2 4.42Å; I17-W170 HydrophobicContact CG1-CH2 3.62Å; I17-W170 HydrophobicContact CG1-CZ2 4.05Å; I17-W170 HydrophobicContact CG1-CZ3 4.41Å; I17-M178 HydrophobicContact CG2-CE 4.02Å; I17-M178 HydrophobicContact CG2-SD 4.32Å
18V95.2Very high93.9Very high3 Ų335 Ų352%0.01819%0.191CC..Hα-helixtrans-62.3-45.7179.8169.90000111.4L6 K14 S15 T16 L21 A22 I36 I90 D92L6-V18 HydrophobicContact CD1-CG2 3.43Å; L6-V18 VanDerWaalsContact CD1-CG2 3.43Å; L6-V18 HydrophobicContact CD2-CG2 3.47Å; L6-V18 VanDerWaalsContact CD2-CG2 3.47Å; L6-V18 HydrophobicContact CG-CG2 4.03Å; K14-V18 WeakPolarHBondContact O-CG2 3.3Å; K14-V18 PolarHBondContact O-N 3.38Å; S15-V18 PolarHBondContact O-N 2.77Å; T16-V18 VanDerWaalsContact C-N 3.31Å; T16-V18 PolarHBondContact O-N 2.74Å; V18-L21 PolarHBondContact O-N 3.11Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.25Å; V18-I36 HydrophobicContact CG1-CB 4.4Å; V18-I36 HydrophobicContact CG1-CD1 3.72Å; V18-I36 HydrophobicContact CG1-CG1 3.78Å; V18-I36 HydrophobicContact CG1-CG2 3.71Å; V18-I90 HydrophobicContact CB-CG2 4.49Å; V18-I90 HydrophobicContact CG1-CG2 3.98Å; V18-I90 HydrophobicContact CG2-CG2 3.88Å; V18-D92 HydrophobicContact CG1-CB 4.44Å; V18-D92 HydrophobicContact CG2-CB 3.91Å
19S93.7Very high93.7Very high66 Ų6635.8 Ų35.846%0.46220%0.195SC..Hα-helixtrans-59.9-51.4178.8-167.70000110.8S15 T16 L21 A22 D23S15-S19 PolarHBondContact O-N 3.5Å; T16-S19 PolarHBondContact O-N 2.86Å; S19-L21 PolarHBondContact O-N 3.4Å; S19-A22 PolarHBondContact O-N 2.83Å; S19-D23 PolarHBondContact O-N 3.47Å; S19-D23 VanDerWaalsContact O-N 3.09Å
20L92.8Very high93.4Very high49 Ų4939.3 Ų39.326%0.25722%0.22SC..Hα-helixtrans-62.3-44.3-179.9-178.557.8000111.6T16 I17 D23 L24 W170 M178T16-L20 PolarHBondContact O-N 3.2Å; T16-L20 VanDerWaalsContact O-N 3.08Å; I17-L20 PolarHBondContact O-N 3Å; L20-D23 PolarHBondContact O-N 3.39Å; L20-L24 HydrophobicContact CD1-CD1 4.22Å; L20-L24 HydrophobicContact CD1-CG 4.4Å; L20-L24 HydrophobicContact CG-CD1 4.15Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.82Å; L20-W170 HydrophobicContact CD2-CH2 4.07Å; L20-W170 HydrophobicContact CD2-CZ3 4.2Å; L20-M178 HydrophobicContact CD2-CB 4.26Å; L20-M178 HydrophobicContact CD2-CG 3.64Å; L20-M178 HydrophobicContact CG-CB 4.46Å; L20-M178 HydrophobicContact CG-CG 4.18Å
21L93.4Very high93.2Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-62.3-44.3177.2-176.958.6000111.8I4 I17 V18 S19 D23 L24 L25 I90 L118 M178 V181 V182 I185I4-L21 HydrophobicContact CD1-CD2 4.36Å; I4-L21 HydrophobicContact CG2-CD2 4.23Å; I17-L21 WeakPolarHBondContact O-CB 3.4Å; I17-L21 PolarHBondContact O-N 3.43Å; V18-L21 PolarHBondContact O-N 3.11Å; S19-L21 PolarHBondContact O-N 3.4Å; L21-D23 VanDerWaalsContact C-N 3.3Å; L21-D23 PolarHBondContact O-N 3.1Å; L21-L24 PolarHBondContact O-N 3.18Å; L21-L25 HydrophobicContact CD1-CD1 4.01Å; L21-L25 HydrophobicContact CD1-CG 3.96Å; L21-L25 HydrophobicContact CD2-CD1 4.38Å; L21-L25 HydrophobicContact CG-CD1 3.75Å; L21-L25 HydrophobicContact CG-CG 4.16Å; L21-L25 VanDerWaalsContact O-CB 3.3Å; L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.36Å; L21-L25 PolarHBondContact O-N 2.99Å; L21-I90 HydrophobicContact CD2-CD1 4.37Å; L21-I90 HydrophobicContact CG-CD1 4.47Å; L21-L118 HydrophobicContact CD2-CD1 3.51Å; L21-M178 HydrophobicContact CB-CE 3.56Å; L21-M178 HydrophobicContact CD1-CE 3.92Å; L21-M178 HydrophobicContact CG-CE 4.22Å; L21-V181 HydrophobicContact CD1-CG1 3.86Å; L21-V182 HydrophobicContact CD1-CG2 3.95Å; L21-I185 HydrophobicContact CD1-CD1 4.12Å
22A94.5Very high93Very high2 Ų248.8 Ų48.82%0.01726%0.261CS..Hα-helixtrans-62.2-41-179.100000111.3V18 S19 L25 K26 I34 I36 I90V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.25Å; S19-A22 PolarHBondContact O-N 2.83Å; A22-L25 PolarHBondContact O-N 3.3Å; A22-K26 VanDerWaalsContact O-CG 3.22Å; A22-K26 WeakPolarHBondContact O-CG 3.46Å; A22-K26 PolarHBondContact O-N 3.07Å; A22-I34 HydrophobicContact CB-CG2 4Å; A22-I36 HydrophobicContact CB-CD1 3.94Å; A22-I90 HydrophobicContact CB-CD1 4.27Å
23D93.8Very high93Very high71 Ų7151 Ų5138%0.3828%0.276SS..Hα-helixtrans-69.3-44.2178.9-67.7-22.5000111.9S19 L20 L21 L25 K26 Q27S19-D23 PolarHBondContact O-N 3.47Å; S19-D23 VanDerWaalsContact O-N 3.09Å; L20-D23 PolarHBondContact O-N 3.39Å; L21-D23 VanDerWaalsContact C-N 3.3Å; L21-D23 PolarHBondContact O-N 3.1Å; D23-L25 PolarHBondContact O-N 2.87Å; D23-K26 PolarHBondContact O-N 2.83Å; D23-K26 IonicContact OD1-NZ 3.74Å; D23-K26 PolarHBondContact OD1-NZ 3.46Å; D23-K26 VanDerWaalsContact OD1-NZ 3.1Å; D23-Q27 WeakPolarHBondContact O-CG 3.27Å; D23-Q27 PolarHBondContact O-N 3.36Å
24L93.2Very high93.1Very high12 Ų1251.6 Ų51.66%0.06328%0.276CS..Hα-helixtrans-62.7-41.8174.5-68.3169.4000111.8L20 L21 K26 Q27 H28 M178 V182L20-L24 HydrophobicContact CD1-CD1 4.22Å; L20-L24 HydrophobicContact CD1-CG 4.4Å; L20-L24 HydrophobicContact CG-CD1 4.15Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 2.82Å; L21-L24 PolarHBondContact O-N 3.18Å; L24-K26 PolarHBondContact O-N 3.05Å; L24-Q27 PolarHBondContact O-N 3.47Å; L24-H28 VanDerWaalsContact O-CB 3.25Å; L24-H28 WeakPolarHBondContact O-CB 3.38Å; L24-H28 PolarHBondContact O-CD2 3.19Å; L24-H28 VanDerWaalsContact O-CD2 3.29Å; L24-H28 PolarHBondContact O-N 3.48Å; L24-M178 HydrophobicContact CD1-CB 3.52Å; L24-V182 HydrophobicContact CB-CG2 3.77Å; L24-V182 HydrophobicContact CD1-CG2 4.48Å
25L93.8Very high93.1Very high0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-62.5-42.9176.2-73.3172.4000111.4I4 L21 A22 D23 Q27 H28 L29 I34 I88 I90 V182 I185I4-L25 HydrophobicContact CD1-CD1 4.06Å; L21-L25 HydrophobicContact CD1-CD1 4.01Å; L21-L25 HydrophobicContact CD1-CG 3.96Å; L21-L25 HydrophobicContact CD2-CD1 4.38Å; L21-L25 HydrophobicContact CG-CD1 3.75Å; L21-L25 HydrophobicContact CG-CG 4.16Å; L21-L25 VanDerWaalsContact O-CB 3.3Å; L21-L25 WeakPolarHBondContact O-CB 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.36Å; L21-L25 PolarHBondContact O-N 2.99Å; A22-L25 PolarHBondContact O-N 3.3Å; D23-L25 PolarHBondContact O-N 2.87Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 3.39Å; L25-H28 PolarHBondContact O-N 3.45Å; L25-L29 HydrophobicContact CD2-CD1 3.82Å; L25-L29 WeakPolarHBondContact O-CA 3.42Å; L25-L29 VanDerWaalsContact O-CB 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 3.18Å; L25-I34 HydrophobicContact CB-CD1 3.84Å; L25-I34 HydrophobicContact CB-CG1 4.18Å; L25-I34 HydrophobicContact CD1-CD1 4.34Å; L25-I88 HydrophobicContact CD1-CG2 4.43Å; L25-I90 HydrophobicContact CD1-CD1 4.07Å; L25-V182 HydrophobicContact CD2-CG1 4.21Å; L25-V182 HydrophobicContact CD2-CG2 4.15Å; L25-V182 HydrophobicContact CG-CG2 4.4Å; L25-I185 HydrophobicContact CD2-CD1 4.23Å; L25-I185 HydrophobicContact CD2-CG2 4.05Å
26K94Very high93.1Very high107 Ų10753.4 Ų53.447%0.46528%0.281SS..Hα-helixtrans-59.8-43.6176-72.4165.8-164.1160.20111.9A22 D23 L24 H28 I34A22-K26 VanDerWaalsContact O-CG 3.22Å; A22-K26 WeakPolarHBondContact O-CG 3.46Å; A22-K26 PolarHBondContact O-N 3.07Å; D23-K26 PolarHBondContact O-N 2.83Å; D23-K26 IonicContact OD1-NZ 3.74Å; D23-K26 PolarHBondContact OD1-NZ 3.46Å; D23-K26 VanDerWaalsContact OD1-NZ 3.1Å; L24-K26 PolarHBondContact O-N 3.05Å; K26-H28 VanDerWaalsContact C-N 3.34Å; K26-H28 PolarHBondContact O-N 3.07Å; K26-I34 HydrophobicContact CG-CB 4.46Å; K26-I34 HydrophobicContact CG-CG1 3.83Å
27Q93.1Very high93.2Very high142 Ų14249.6 Ų49.666%0.66426%0.257SS*.Hα-helixtrans-63.3-42178.7-71.3174.40.300111.8D23 L24 L25D23-Q27 WeakPolarHBondContact O-CG 3.27Å; D23-Q27 PolarHBondContact O-N 3.36Å; L24-Q27 PolarHBondContact O-N 3.47Å; L25-Q27 VanDerWaalsContact C-N 3.34Å; L25-Q27 PolarHBondContact O-N 3.39Å
28H91.2Very high93Very high68 Ų6850.9 Ų50.932%0.31526%0.264SS..Hα-helixtrans-92.9-17.4-170.8-85.2-49.7000115.2L24 L25 K26 V182 K186L24-H28 VanDerWaalsContact O-CB 3.25Å; L24-H28 WeakPolarHBondContact O-CB 3.38Å; L24-H28 PolarHBondContact O-CD2 3.19Å; L24-H28 VanDerWaalsContact O-CD2 3.29Å; L24-H28 PolarHBondContact O-N 3.48Å; L25-H28 PolarHBondContact O-N 3.45Å; K26-H28 VanDerWaalsContact C-N 3.34Å; K26-H28 PolarHBondContact O-N 3.07Å; H28-V182 HydrophobicContact CB-CG1 3.79Å; H28-K186 VanDerWaalsContact CB-CE 3.42Å; H28-K186 VanDerWaalsContact CB-NZ 3.3Å; H28-K186 PolarHBondContact ND1-NZ 3.36Å; H28-K186 WeakPolarHBondContact O-CE 3.49Å
29L91.1Very high92.5Very high18 Ų1851.4 Ų51.49%0.09427%0.267CS..  trans-135.861.1-176.3-67173.6000110.2L25 H31 Y32 I88 K186 L189L25-L29 HydrophobicContact CD2-CD1 3.82Å; L25-L29 WeakPolarHBondContact O-CA 3.42Å; L25-L29 VanDerWaalsContact O-CB 3.26Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 3.18Å; L29-H31 PolarHBondContact O-N 3.3Å; L29-Y32 HydrophobicContact CB-CD2 3.92Å; L29-Y32 HydrophobicContact CD2-CD2 4.24Å; L29-Y32 HydrophobicContact CD2-CE2 4.28Å; L29-Y32 HydrophobicContact CG-CD2 4.5Å; L29-Y32 PolarHBondContact O-N 3.5Å; L29-I88 HydrophobicContact CD1-CD1 3.94Å; L29-K186 HydrophobicContact CD1-CG 4.36Å; L29-K186 HydrophobicContact CD2-CG 3.93Å; L29-K186 HydrophobicContact CG-CG 4.26Å; L29-L189 HydrophobicContact CD1-CD1 3.54Å; L29-L189 HydrophobicContact CD2-CD1 4.48Å
30P90.4Very high91.5Very high96 Ų9650.4 Ų50.462%0.62325%0.254SS*.THydrogen-bonded Turntrans-63-16.8-172.726.4-36.4000114.1Y32P30-Y32 VanDerWaalsContact C-N 3.32Å
31H89.8Confident90Very high165 Ų16553.6 Ų53.676%0.76427%0.266SS*.THydrogen-bonded Turntrans-82.6-6.8177-55.2-55.7000114L29L29-H31 PolarHBondContact O-N 3.3Å
32Y91.2Very high88.2Confident50 Ų5054.1 Ų54.120%0.19627%0.269CS..SBendtrans-106.7134.7179.1-70.5-92.5000110.9M1 L29 P30 S86 I88 L189 K192M1-Y32 HydrophobicContact CE-CE1 4.13Å; M1-Y32 HydrophobicContact SD-CE1 3.84Å; L29-Y32 HydrophobicContact CB-CD2 3.92Å; L29-Y32 HydrophobicContact CD2-CD2 4.24Å; L29-Y32 HydrophobicContact CD2-CE2 4.28Å; L29-Y32 HydrophobicContact CG-CD2 4.5Å; L29-Y32 PolarHBondContact O-N 3.5Å; P30-Y32 VanDerWaalsContact C-N 3.32Å; Y32-S86 CarbonylContact C-O 3.52Å; Y32-S86 VanDerWaalsContact CA-O 3.24Å; Y32-S86 WeakPolarHBondContact CA-O 3.33Å; Y32-S86 VanDerWaalsContact CD1-O 3.3Å; Y32-S86 WeakPolarHBondContact CD1-O 3.17Å; Y32-I88 HydrophobicContact CD1-CD1 4.12Å; Y32-I88 HydrophobicContact CD1-CG1 3.94Å; Y32-I88 HydrophobicContact CG-CD1 4.02Å; Y32-I88 HydrophobicContact CG-CG1 4.27Å; Y32-L189 HydrophobicContact CE1-CD2 4.26Å; Y32-K192 PolarHBondContact OH-NZ 3.46Å
33S93.3Very high86.3Confident46 Ų4655.3 Ų55.332%0.32228%0.281SS..EExtended strand (participates in β ladder)trans-76.9132.2165.439.80000109.3S86 T87 I88S33-S86 PolarHBondContact N-O 3.21Å; S33-S86 PolarHBondContact OG-O 2.92Å; S33-T87 CarbonylContact O-C 3.59Å; S33-T87 VanDerWaalsContact O-CA 3.3Å; S33-T87 WeakPolarHBondContact O-CA 3.34Å; S33-T87 WeakPolarHBondContact OG-CA 3.4Å; S33-T87 PolarHBondContact OG-OG1 2.85Å; S33-I88 PolarHBondContact O-N 2.83Å
34I95.1Very high84.6Confident29 Ų2958.3 Ų58.315%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-101.7118.7174.2-48.8-54.5000108.2A22 L25 K26 I88 I90A22-I34 HydrophobicContact CB-CG2 4Å; L25-I34 HydrophobicContact CB-CD1 3.84Å; L25-I34 HydrophobicContact CB-CG1 4.18Å; L25-I34 HydrophobicContact CD1-CD1 4.34Å; K26-I34 HydrophobicContact CG-CB 4.46Å; K26-I34 HydrophobicContact CG-CG1 3.83Å; I34-I88 HydrophobicContact CD1-CB 3.8Å; I34-I88 HydrophobicContact CD1-CD1 3.85Å; I34-I88 HydrophobicContact CD1-CG1 4.23Å; I34-I88 HydrophobicContact CD1-CG2 4.41Å; I34-I90 HydrophobicContact CG2-CD1 3.69Å; I34-I90 HydrophobicContact CG2-CG1 4.25Å
35L94.7Very high83.1Confident67 Ų6758.4 Ų58.435%0.35130%0.298SS..EExtended strand (participates in β ladder)trans-113.6124.8175.7-167.985.6000109.9V37 A80 T87 I88 V89 I90L35-V37 HydrophobicContact CD2-CG2 4.15Å; L35-A80 HydrophobicContact CD2-CB 3.23Å; L35-T87 HydrophobicContact CB-CG2 3.77Å; L35-I88 PolarHBondContact N-O 3.07Å; L35-V89 CarbonylContact O-C 3.58Å; L35-V89 WeakPolarHBondContact O-CA 3.26Å; L35-I90 PolarHBondContact O-N 2.92Å
36I95.1Very high81.5Confident42 Ų4265.1 Ų65.122%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-99.9120174-58.7161.6000108.6V18 A22 D38 K41 I90 D92V18-I36 HydrophobicContact CG1-CB 4.4Å; V18-I36 HydrophobicContact CG1-CD1 3.72Å; V18-I36 HydrophobicContact CG1-CG1 3.78Å; V18-I36 HydrophobicContact CG1-CG2 3.71Å; A22-I36 HydrophobicContact CB-CD1 3.94Å; I36-D38 HydrophobicContact CG2-CB 4.41Å; I36-K41 PolarHBondContact O-NZ 3.22Å; I36-I90 WeakPolarHBondContact CA-O 3.44Å; I36-I90 HydrophobicContact CG1-CB 4.45Å; I36-D92 HydrophobicContact CG2-CB 4.3Å
37V93.7Very high79.8Confident8 Ų865 Ų655%0.04834%0.342CS..EExtended strand (participates in β ladder)trans-100.4102168.8-177.60000107.1L35 S42 E76 V77 A80 V89 I90 M91 D92L35-V37 HydrophobicContact CD2-CG2 4.15Å; V37-S42 WeakPolarHBondContact CG1-OG 3.33Å; V37-E76 HydrophobicContact CG1-CB 4.1Å; V37-V77 HydrophobicContact CB-CG2 4.07Å; V37-V77 HydrophobicContact CG1-CG2 3.91Å; V37-V77 HydrophobicContact CG2-CG2 4.2Å; V37-A80 HydrophobicContact CG2-CB 4.38Å; V37-V89 HydrophobicContact CG2-CG1 3.95Å; V37-I90 PolarHBondContact N-O 3.02Å; V37-M91 WeakPolarHBondContact O-CA 3.4Å; V37-D92 PolarHBondContact O-N 3.09Å
38D89.9Confident78.4Confident28 Ų2863.7 Ų63.715%0.1533%0.334CS..EExtended strand (participates in β ladder)trans-100.9176.4176.858.843.4000111.1I36 F40 K41 S42 D92I36-D38 HydrophobicContact CG2-CB 4.41Å; D38-F40 PolarHBondContact O-N 3.33Å; D38-F40 WeakPolarHBondContact OD1-CA 3.36Å; D38-F40 WeakPolarHBondContact OD1-CB 3.44Å; D38-F40 PolarHBondContact OD1-N 2.79Å; D38-K41 WeakPolarHBondContact OD1-CG 3.5Å; D38-K41 PolarHBondContact OD1-N 3.41Å; D38-S42 PolarHBondContact O-OG 2.85Å; D38-D92 WeakPolarHBondContact CA-O 3.34Å; D38-D92 HydrophobicContact CB-CB 4.15Å
39E84.5Confident77.2Confident14 Ų1463.3 Ų63.37%0.06533%0.334CS..THydrogen-bonded Turntrans-61.8-25.8175.6-62.5179.2110.700113.1R56 Y60 F69 A93 P94E39-R56 WeakPolarHBondContact OE2-CD 3.41Å; E39-R56 IonicContact OE2-CZ 2.65Å; E39-R56 IonicContact OE2-NH1 3.39Å; E39-R56 PolarHBondContact OE2-NH1 2.92Å; E39-Y60 WeakPolarHBondContact OE1-CE2 3.39Å; E39-Y60 VanDerWaalsContact OE1-CZ 3.32Å; E39-Y60 PolarHBondContact OE1-OH 3.48Å; E39-F69 HydrophobicContact CB-CE1 4.32Å; E39-F69 HydrophobicContact CB-CZ 3.84Å; E39-F69 HydrophobicContact CG-CE1 4.28Å; E39-F69 HydrophobicContact CG-CZ 4.28Å; E39-F69 WeakPolarHBondContact O-CE2 3.05Å; E39-F69 VanDerWaalsContact O-CZ 3.29Å; E39-F69 WeakPolarHBondContact O-CZ 3.33Å; E39-A93 HydrophobicContact CG-CB 4.35Å; E39-P94 WeakPolarHBondContact OE1-CD 3.43Å
40F72Confident76Confident44 Ų4466.6 Ų66.619%0.19336%0.355CS..THydrogen-bonded Turntrans-86.5-41.9-171.7-56.4-62.7000113.2D38 S42 L45 Q46 I49 R56D38-F40 PolarHBondContact O-N 3.33Å; D38-F40 WeakPolarHBondContact OD1-CA 3.36Å; D38-F40 WeakPolarHBondContact OD1-CB 3.44Å; D38-F40 PolarHBondContact OD1-N 2.79Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.27Å; F40-L45 PolarHBondContact O-N 2.98Å; F40-Q46 HydrophobicContact CB-CB 4.47Å; F40-I49 HydrophobicContact CD1-CD1 3.39Å; F40-I49 HydrophobicContact CE1-CD1 3.12Å; F40-I49 HydrophobicContact CE1-CG1 4.43Å; F40-I49 HydrophobicContact CZ-CD1 4.07Å; F40-R56 VanDerWaalsContact CZ-CZ 3.42Å; F40-R56 VanDerWaalsContact CZ-NH2 3.31Å
41K61.3Low75Confident117 Ų11768.6 Ų68.651%0.50937%0.366SS..G310 helixtrans-68-30.2179.7-71.6179-170.3172.10112.3I36 D38 G43I36-K41 PolarHBondContact O-NZ 3.22Å; D38-K41 WeakPolarHBondContact OD1-CG 3.5Å; D38-K41 PolarHBondContact OD1-N 3.41Å; K41-G43 PolarHBondContact O-N 3.31Å
42S56.7Low74.2Confident11 Ų1167.9 Ų67.98%0.07737%0.367CS..G310 helixtrans-73-12.6-171.6-58.30000114.4V37 D38 F40V37-S42 WeakPolarHBondContact CG1-OG 3.33Å; D38-S42 PolarHBondContact O-OG 2.85Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.27Å
43G53.6Low73.6Confident26 Ų2669.7 Ų69.727%0.26837%0.374SS..G310 helixtrans-139.515.8-178.900000115.5K41 L45K41-G43 PolarHBondContact O-N 3.31Å; G43-L45 PolarHBondContact O-N 2.93Å; G43-L45 VanDerWaalsContact O-N 3.09Å
44N58.4Low73.2Confident135 Ų13568.5 Ų68.572%0.72236%0.364SS*.THydrogen-bonded Turntrans48.933.2-167.3-69.8-33.1000112Q46 S47N44-Q46 PolarHBondContact O-N 2.91Å; N44-S47 PolarHBondContact O-OG 3.24Å
45L61.5Low72.7Confident14 Ų1468 Ų687%0.07336%0.362CS..G310 helixtrans-76.2-14.2-171.7-71.2172.9000112.3F40 G43 S47 K48 I55 I59 F69F40-L45 PolarHBondContact O-N 2.98Å; G43-L45 PolarHBondContact O-N 2.93Å; G43-L45 VanDerWaalsContact O-N 3.09Å; L45-S47 PolarHBondContact O-N 3.46Å; L45-K48 HydrophobicContact CD2-CD 4.2Å; L45-K48 WeakPolarHBondContact O-CB 3.27Å; L45-K48 PolarHBondContact O-N 3.26Å; L45-I55 HydrophobicContact CB-CG2 3.89Å; L45-I55 HydrophobicContact CD1-CG2 4.36Å; L45-I55 HydrophobicContact CD2-CB 4.5Å; L45-I55 HydrophobicContact CD2-CG1 3.82Å; L45-I55 HydrophobicContact CD2-CG2 3.84Å; L45-I55 HydrophobicContact CG-CG2 4.24Å; L45-I59 HydrophobicContact CD1-CD1 3.61Å; L45-I59 HydrophobicContact CD2-CD1 4.28Å; L45-F69 HydrophobicContact CD1-CD2 4.08Å; L45-F69 HydrophobicContact CD1-CE2 3.41Å; L45-F69 VanDerWaalsContact CD1-CE2 3.41Å; L45-F69 HydrophobicContact CD1-CZ 4.07Å
46Q60.6Low72.4Confident140 Ų14065.2 Ų65.265%0.65435%0.347SS*.G310 helixtrans-60.1-30-179.1-149163.521.500112.5F40 N44 K48F40-Q46 HydrophobicContact CB-CB 4.47Å; N44-Q46 PolarHBondContact O-N 2.91Å; Q46-K48 PolarHBondContact O-N 3.47Å
47S58.7Low72.2Confident104 Ų10464.1 Ų64.173%0.72734%0.343SS*.G310 helixtrans-75.2-10.5175.262.70000114.1N44 L45N44-S47 PolarHBondContact O-OG 3.24Å; L45-S47 PolarHBondContact O-N 3.46Å
48K63Low72Confident115 Ų11566.7 Ų66.750%0.536%0.356SS..G310 helixtrans-103.34.6-177.7-61.5-173.3-179.5179.20113.6L45 Q46 I55L45-K48 HydrophobicContact CD2-CD 4.2Å; L45-K48 WeakPolarHBondContact O-CB 3.27Å; L45-K48 PolarHBondContact O-N 3.26Å; Q46-K48 PolarHBondContact O-N 3.47Å; K48-I55 HydrophobicContact CB-CB 4.08Å; K48-I55 HydrophobicContact CB-CG1 4.28Å; K48-I55 HydrophobicContact CB-CG2 4.25Å; K48-I55 HydrophobicContact CD-CD1 4.3Å; K48-I55 HydrophobicContact CD-CG1 4.09Å
49I65.9Low72.1Confident61 Ų6166 Ų6631%0.31335%0.352SS..  trans-97.1120.8176.6-60.4164.9000107.9F40 Y53 I55F40-I49 HydrophobicContact CD1-CD1 3.39Å; F40-I49 HydrophobicContact CE1-CD1 3.12Å; F40-I49 HydrophobicContact CE1-CG1 4.43Å; F40-I49 HydrophobicContact CZ-CD1 4.07Å; I49-Y53 WeakPolarHBondContact CA-O 3.47Å; I49-I55 HydrophobicContact CG1-CG2 4.4Å
50T66.8Low72.5Confident86 Ų8665.6 Ų65.653%0.52835%0.35SS..BIsolated β-bridgetrans-107.2174.8167.263.40000109D52 Y53T50-D52 PolarHBondContact O-N 2.81Å; T50-D52 VanDerWaalsContact O-N 3.15Å; T50-Y53 PolarHBondContact N-O 3.15Å; T50-Y53 PolarHBondContact O-N 2.8Å; T50-Y53 WeakPolarHBondContact OG1-CB 3.34Å; T50-Y53 PolarHBondContact OG1-N 2.86Å
51T70Confident73.6Confident139 Ų13966.8 Ų66.885%0.85337%0.368SS*.THydrogen-bonded Turntrans-55.3-29.1175.533.80000113.2
52D73.4Confident75.2Confident149 Ų14964 Ų6480%0.79736%0.359SS*.THydrogen-bonded Turntrans-113.5-0.5-170.7-49.7-51.9000113.3T50T50-D52 PolarHBondContact O-N 2.81Å; T50-D52 VanDerWaalsContact O-N 3.15Å
53Y78.1Confident76.9Confident89 Ų8967.9 Ų67.935%0.34939%0.386SS..BIsolated β-bridgetrans-146.6126.4-174.4175-97.3000112.3I49 T50 I55 D58I49-Y53 WeakPolarHBondContact CA-O 3.47Å; T50-Y53 PolarHBondContact N-O 3.15Å; T50-Y53 PolarHBondContact O-N 2.8Å; T50-Y53 WeakPolarHBondContact OG1-CB 3.34Å; T50-Y53 PolarHBondContact OG1-N 2.86Å; Y53-I55 HydrophobicContact CE1-CB 4.11Å; Y53-I55 HydrophobicContact CE1-CD1 4.11Å; Y53-I55 WeakPolarHBondContact OH-CD1 3.33Å; Y53-D58 PolarHBondContact OH-OD1 3.4Å; Y53-D58 PolarHBondContact OH-OD2 3.01Å
54D83.9Confident78.8Confident20 Ų2072.6 Ų72.611%0.10740%0.401CS..  trans-113.3114.8173.6-164.3-39.7000109.7R56 C57D54-R56 PolarHBondContact O-N 3.34Å; D54-R56 VanDerWaalsContact OD1-CB 3.23Å; D54-R56 WeakPolarHBondContact OD1-CB 3.44Å; D54-R56 VanDerWaalsContact OD1-CG 3.29Å; D54-R56 WeakPolarHBondContact OD1-CG 3.44Å; D54-R56 IonicContact OD1-CZ 3.89Å; D54-R56 PolarHBondContact OD1-N 2.99Å; D54-R56 IonicContact OD1-NE 3.83Å; D54-R56 PolarHBondContact OD1-NE 3.46Å; D54-R56 IonicContact OD1-NH2 3.92Å; D54-R56 IonicContact OD2-CZ 3.25Å; D54-R56 VanDerWaalsContact OD2-CZ 3.25Å; D54-R56 IonicContact OD2-NE 3.65Å; D54-R56 PolarHBondContact OD2-NE 2.93Å; D54-R56 IonicContact OD2-NH2 2.63Å; D54-R56 PolarHBondContact OD2-NH2 3.03Å; D54-C57 WeakPolarHBondContact O-CB 3.36Å; D54-C57 PolarHBondContact O-N 3.24Å; D54-C57 PolarHBondContact O-SG 3.29Å; D54-C57 VanDerWaalsContact O-SG 3.34Å
55I86Confident80.5Confident20 Ų2070.4 Ų70.410%0.10339%0.385CS..THydrogen-bonded Turntrans-56-19.9179-170.658.5000113.6L45 K48 I49 Y53 C57 D58 I59L45-I55 HydrophobicContact CB-CG2 3.89Å; L45-I55 HydrophobicContact CD1-CG2 4.36Å; L45-I55 HydrophobicContact CD2-CB 4.5Å; L45-I55 HydrophobicContact CD2-CG1 3.82Å; L45-I55 HydrophobicContact CD2-CG2 3.84Å; L45-I55 HydrophobicContact CG-CG2 4.24Å; K48-I55 HydrophobicContact CB-CB 4.08Å; K48-I55 HydrophobicContact CB-CG1 4.28Å; K48-I55 HydrophobicContact CB-CG2 4.25Å; K48-I55 HydrophobicContact CD-CD1 4.3Å; K48-I55 HydrophobicContact CD-CG1 4.09Å; I49-I55 HydrophobicContact CG1-CG2 4.4Å; Y53-I55 HydrophobicContact CE1-CB 4.11Å; Y53-I55 HydrophobicContact CE1-CD1 4.11Å; Y53-I55 WeakPolarHBondContact OH-CD1 3.33Å; I55-C57 PolarHBondContact O-N 3.48Å; I55-D58 HydrophobicContact CD1-CB 4.26Å; I55-D58 PolarHBondContact O-N 3.45Å; I55-I59 HydrophobicContact CG1-CD1 4.44Å; I55-I59 WeakPolarHBondContact O-CG1 3.33Å; I55-I59 PolarHBondContact O-N 3.49Å
56R88.2Confident82Confident8 Ų870 Ų703%0.0338%0.383CS..Hα-helixtrans-60.9-29173.1-69.1179.1-72.2-168.3-8112.3E39 F40 D54 I59 Y60 R136 Y137E39-R56 WeakPolarHBondContact OE2-CD 3.41Å; E39-R56 IonicContact OE2-CZ 2.65Å; E39-R56 IonicContact OE2-NH1 3.39Å; E39-R56 PolarHBondContact OE2-NH1 2.92Å; F40-R56 VanDerWaalsContact CZ-CZ 3.42Å; F40-R56 VanDerWaalsContact CZ-NH2 3.31Å; D54-R56 PolarHBondContact O-N 3.34Å; D54-R56 VanDerWaalsContact OD1-CB 3.23Å; D54-R56 WeakPolarHBondContact OD1-CB 3.44Å; D54-R56 VanDerWaalsContact OD1-CG 3.29Å; D54-R56 WeakPolarHBondContact OD1-CG 3.44Å; D54-R56 IonicContact OD1-CZ 3.89Å; D54-R56 PolarHBondContact OD1-N 2.99Å; D54-R56 IonicContact OD1-NE 3.83Å; D54-R56 PolarHBondContact OD1-NE 3.46Å; D54-R56 IonicContact OD1-NH2 3.92Å; D54-R56 IonicContact OD2-CZ 3.25Å; D54-R56 VanDerWaalsContact OD2-CZ 3.25Å; D54-R56 IonicContact OD2-NE 3.65Å; D54-R56 PolarHBondContact OD2-NE 2.93Å; D54-R56 IonicContact OD2-NH2 2.63Å; D54-R56 PolarHBondContact OD2-NH2 3.03Å; R56-I59 PolarHBondContact O-N 2.9Å; R56-Y60 HydrophobicContact CB-CD2 4Å; R56-Y60 HydrophobicContact CB-CE2 4.03Å; R56-Y60 HydrophobicContact CG-CE2 4.35Å; R56-Y60 WeakPolarHBondContact O-CD2 3.36Å; R56-Y60 PolarHBondContact O-N 3.11Å; R56-R136 VanDerWaalsContact NH2-CD 3.33Å; R56-Y137 HydrophobicContact CB-CE1 3.86Å
57C90.2Very high83.5Confident19 Ų1972.4 Ų72.413%0.12839%0.386CS..Hα-helixtrans-58.5-50.3175.8-61.20000110.9D54 I55 I59 Y60 A61 R136 L141D54-C57 WeakPolarHBondContact O-CB 3.36Å; D54-C57 PolarHBondContact O-N 3.24Å; D54-C57 PolarHBondContact O-SG 3.29Å; D54-C57 VanDerWaalsContact O-SG 3.34Å; I55-C57 PolarHBondContact O-N 3.48Å; C57-I59 VanDerWaalsContact C-N 3.29Å; C57-I59 PolarHBondContact O-N 3.03Å; C57-Y60 PolarHBondContact O-N 3.08Å; C57-A61 WeakPolarHBondContact O-CB 3.33Å; C57-A61 PolarHBondContact O-N 3.13Å; C57-R136 PolarHBondContact SG-O 3Å; C57-L141 HydrophobicContact CB-CD2 4.17Å; C57-L141 WeakPolarHBondContact O-CD2 3.3Å
58D90.1Very high85.1Confident61 Ų6172.4 Ų72.433%0.32637%0.374SS..Hα-helixtrans-64.1-35178.9-72.220.3000112.7Y53 I55 K65Y53-D58 PolarHBondContact OH-OD1 3.4Å; Y53-D58 PolarHBondContact OH-OD2 3.01Å; I55-D58 HydrophobicContact CD1-CB 4.26Å; I55-D58 PolarHBondContact O-N 3.45Å; D58-K65 WeakPolarHBondContact O-CD 3.2Å
59I91.5Very high86.4Confident15 Ų1567.2 Ų67.28%0.07735%0.352CS..Hα-helixtrans-69-48.4180-66.8169.4000109.9L45 I55 R56 C57 D62 E66 F69L45-I59 HydrophobicContact CD1-CD1 3.61Å; L45-I59 HydrophobicContact CD2-CD1 4.28Å; I55-I59 HydrophobicContact CG1-CD1 4.44Å; I55-I59 WeakPolarHBondContact O-CG1 3.33Å; I55-I59 PolarHBondContact O-N 3.49Å; R56-I59 PolarHBondContact O-N 2.9Å; C57-I59 VanDerWaalsContact C-N 3.29Å; C57-I59 PolarHBondContact O-N 3.03Å; I59-D62 PolarHBondContact O-N 3.11Å; I59-E66 WeakPolarHBondContact O-CB 3.42Å; I59-E66 PolarHBondContact O-N 3.39Å; I59-F69 HydrophobicContact CD1-CD2 4.11Å; I59-F69 HydrophobicContact CD1-CE2 4.36Å; I59-F69 HydrophobicContact CD1-CG 4.31Å; I59-F69 HydrophobicContact CG2-CB 3.69Å; I59-F69 HydrophobicContact CG2-CD1 3.88Å; I59-F69 HydrophobicContact CG2-CG 3.83Å
60Y92.9Very high87.7Confident5 Ų566.7 Ų66.72%0.0235%0.346CS..Hα-helixtrans-79.6-22.4-175.4-70.1-60.8000113.7E39 R56 C57 D62 E66 Y96 Y137 M145 R148E39-Y60 WeakPolarHBondContact OE1-CE2 3.39Å; E39-Y60 VanDerWaalsContact OE1-CZ 3.32Å; E39-Y60 PolarHBondContact OE1-OH 3.48Å; R56-Y60 HydrophobicContact CB-CD2 4Å; R56-Y60 HydrophobicContact CB-CE2 4.03Å; R56-Y60 HydrophobicContact CG-CE2 4.35Å; R56-Y60 WeakPolarHBondContact O-CD2 3.36Å; R56-Y60 PolarHBondContact O-N 3.11Å; C57-Y60 PolarHBondContact O-N 3.08Å; Y60-D62 VanDerWaalsContact C-N 3.27Å; Y60-D62 PolarHBondContact O-N 2.87Å; Y60-E66 HydrophobicContact CD1-CG 3.67Å; Y60-E66 HydrophobicContact CE1-CG 3.87Å; Y60-Y96 HydrophobicContact CD1-CE1 4.43Å; Y60-Y96 HydrophobicContact CE1-CE1 4.21Å; Y60-Y137 AromaticContact CD2-CE1 3.93Å; Y60-Y137 HydrophobicContact CD2-CE1 3.93Å; Y60-M145 HydrophobicContact CD1-CE 3.52Å; Y60-M145 HydrophobicContact CD1-SD 4.47Å; Y60-M145 HydrophobicContact CD2-CE 3.48Å; Y60-M145 VanDerWaalsContact CD2-CE 3.48Å; Y60-M145 HydrophobicContact CD2-SD 4.05Å; Y60-M145 HydrophobicContact CE1-CE 3.83Å; Y60-M145 HydrophobicContact CE2-CE 3.79Å; Y60-M145 HydrophobicContact CG-CE 3.35Å; Y60-M145 HydrophobicContact CG-SD 3.85Å; Y60-R148 PolarHBondContact O-NH1 3.24Å
61A94.3Very high88.9Confident68 Ų6864.1 Ų64.156%0.56234%0.337SS*.Hα-helixtrans-71.9-18.317200000113.4C57 L141C57-A61 WeakPolarHBondContact O-CB 3.33Å; C57-A61 PolarHBondContact O-N 3.13Å; A61-L141 HydrophobicContact CB-CD1 4.21Å; A61-L141 HydrophobicContact CB-CD2 4.46Å
62D95.2Very high89.9Confident59 Ų5961.9 Ų61.932%0.31632%0.317SS..  trans-122.3114.2-176.7-175.2-40.5000111.4I59 Y60 Q64 K65 E66I59-D62 PolarHBondContact O-N 3.11Å; Y60-D62 VanDerWaalsContact C-N 3.27Å; Y60-D62 PolarHBondContact O-N 2.87Å; D62-Q64 PolarHBondContact O-N 2.98Å; D62-Q64 VanDerWaalsContact O-N 3.16Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.4Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.45Å; D62-Q64 PolarHBondContact OD1-N 3.14Å; D62-K65 HydrophobicContact CB-CB 4.04Å; D62-K65 HydrophobicContact CB-CD 3.9Å; D62-K65 HydrophobicContact CB-CG 3.93Å; D62-K65 PolarHBondContact O-N 3.39Å; D62-K65 PolarHBondContact OD1-N 3.5Å; D62-E66 WeakPolarHBondContact O-CB 3.38Å; D62-E66 PolarHBondContact O-N 2.89Å
63S92.3Very high90.8Very high93 Ų9355 Ų5565%0.6528%0.279SS*.Hα-helixtrans-58.4-30.2-177.867.80000114.6R67S63-R67 WeakPolarHBondContact O-CB 3.38Å; S63-R67 PolarHBondContact O-N 3.42Å; S63-R67 VanDerWaalsContact O-N 3.11Å
64Q94.9Very high91.6Very high125 Ų12553 Ų5358%0.58427%0.273SS*.Hα-helixtrans-74.5-48.7177.7-177.4178.5-15.100110.2D62 E66 R67 E68D62-Q64 PolarHBondContact O-N 2.98Å; D62-Q64 VanDerWaalsContact O-N 3.16Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.4Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.45Å; D62-Q64 PolarHBondContact OD1-N 3.14Å; Q64-E66 VanDerWaalsContact C-N 3.26Å; Q64-E66 PolarHBondContact O-N 3.22Å; Q64-R67 WeakPolarHBondContact O-CB 3.42Å; Q64-R67 PolarHBondContact O-N 3.24Å; Q64-R67 VanDerWaalsContact O-N 3.16Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.4Å; Q64-E68 PolarHBondContact NE2-OE1 3.3Å; Q64-E68 WeakPolarHBondContact O-CG 3.49Å; Q64-E68 PolarHBondContact O-N 2.71Å
65K93.1Very high92Very high89 Ų8955.3 Ų55.339%0.38729%0.29SS..Hα-helixtrans-60.1-40.6176.6-65.1-177.3-170167.30111.2D58 D62 R67 E68 F69D58-K65 WeakPolarHBondContact O-CD 3.2Å; D62-K65 HydrophobicContact CB-CB 4.04Å; D62-K65 HydrophobicContact CB-CD 3.9Å; D62-K65 HydrophobicContact CB-CG 3.93Å; D62-K65 PolarHBondContact O-N 3.39Å; D62-K65 PolarHBondContact OD1-N 3.5Å; K65-R67 PolarHBondContact O-N 3.18Å; K65-E68 PolarHBondContact O-N 3.16Å; K65-F69 VanDerWaalsContact O-CB 3.26Å; K65-F69 WeakPolarHBondContact O-CB 3.43Å; K65-F69 PolarHBondContact O-N 2.91Å
66E92.5Very high92.3Very high6 Ų656.9 Ų56.93%0.02830%0.297CS..Hα-helixtrans-63.1-42.5177.1-158.3-166.2153.300112.1I59 Y60 D62 Q64 F69 R70 Y96 R148I59-E66 WeakPolarHBondContact O-CB 3.42Å; I59-E66 PolarHBondContact O-N 3.39Å; Y60-E66 HydrophobicContact CD1-CG 3.67Å; Y60-E66 HydrophobicContact CE1-CG 3.87Å; D62-E66 WeakPolarHBondContact O-CB 3.38Å; D62-E66 PolarHBondContact O-N 2.89Å; Q64-E66 VanDerWaalsContact C-N 3.26Å; Q64-E66 PolarHBondContact O-N 3.22Å; E66-F69 PolarHBondContact O-N 3.01Å; E66-R70 WeakPolarHBondContact O-CG 3.46Å; E66-R70 PolarHBondContact O-N 3.22Å; E66-R70 IonicContact OE1-CZ 2.95Å; E66-R70 IonicContact OE1-NH1 3.64Å; E66-R70 PolarHBondContact OE1-NH1 3.29Å; E66-R70 IonicContact OE2-NH1 3.32Å; E66-Y96 WeakPolarHBondContact OE1-CE1 3.08Å; E66-Y96 PolarHBondContact OE1-OH 3.16Å; E66-Y96 PolarHBondContact OE2-OH 3Å; E66-R148 IonicContact OE2-NH1 2.74Å; E66-R148 PolarHBondContact OE2-NH1 2.86Å
67R91.8Very high92.6Very high190 Ų19056.5 Ų56.572%0.71730%0.296SS*.Hα-helixtrans-62-45.2176.2179.9-178.8176.4177.8-1.3111.6S63 Q64 K65 F69 R70 G71S63-R67 WeakPolarHBondContact O-CB 3.38Å; S63-R67 PolarHBondContact O-N 3.42Å; S63-R67 VanDerWaalsContact O-N 3.11Å; Q64-R67 WeakPolarHBondContact O-CB 3.42Å; Q64-R67 PolarHBondContact O-N 3.24Å; Q64-R67 VanDerWaalsContact O-N 3.16Å; K65-R67 PolarHBondContact O-N 3.18Å; R67-F69 VanDerWaalsContact C-N 3.34Å; R67-R70 PolarHBondContact O-N 3.12Å; R67-G71 PolarHBondContact O-N 3.32Å; R67-G71 VanDerWaalsContact O-N 3.08Å
68E92.4Very high92.7Very high104 Ų10458.7 Ų58.749%0.48630%0.304SS..Hα-helixtrans-61.9-44.3177.2-71.2173-167.400111Q64 K65 R70 G71 Q72Q64-E68 WeakPolarHBondContact CG-OE1 3.4Å; Q64-E68 PolarHBondContact NE2-OE1 3.3Å; Q64-E68 WeakPolarHBondContact O-CG 3.49Å; Q64-E68 PolarHBondContact O-N 2.71Å; K65-E68 PolarHBondContact O-N 3.16Å; E68-R70 PolarHBondContact O-N 3.19Å; E68-G71 WeakPolarHBondContact O-CA 3.43Å; E68-G71 PolarHBondContact O-N 3.46Å; E68-G71 VanDerWaalsContact O-N 3.08Å; E68-Q72 WeakPolarHBondContact O-CG 3.16Å; E68-Q72 PolarHBondContact O-N 3.36Å
69F90.9Very high92.8Very high5 Ų562 Ų622%0.02231%0.312CS..Hα-helixtrans-61.5-44.8178-176.4-115.8000112.5E39 L45 I59 K65 E66 R67 G71 Q72 Q73E39-F69 HydrophobicContact CB-CE1 4.32Å; E39-F69 HydrophobicContact CB-CZ 3.84Å; E39-F69 HydrophobicContact CG-CE1 4.28Å; E39-F69 HydrophobicContact CG-CZ 4.28Å; E39-F69 WeakPolarHBondContact O-CE2 3.05Å; E39-F69 VanDerWaalsContact O-CZ 3.29Å; E39-F69 WeakPolarHBondContact O-CZ 3.33Å; L45-F69 HydrophobicContact CD1-CD2 4.08Å; L45-F69 HydrophobicContact CD1-CE2 3.41Å; L45-F69 VanDerWaalsContact CD1-CE2 3.41Å; L45-F69 HydrophobicContact CD1-CZ 4.07Å; I59-F69 HydrophobicContact CD1-CD2 4.11Å; I59-F69 HydrophobicContact CD1-CE2 4.36Å; I59-F69 HydrophobicContact CD1-CG 4.31Å; I59-F69 HydrophobicContact CG2-CB 3.69Å; I59-F69 HydrophobicContact CG2-CD1 3.88Å; I59-F69 HydrophobicContact CG2-CG 3.83Å; K65-F69 VanDerWaalsContact O-CB 3.26Å; K65-F69 WeakPolarHBondContact O-CB 3.43Å; K65-F69 PolarHBondContact O-N 2.91Å; E66-F69 PolarHBondContact O-N 3.01Å; R67-F69 VanDerWaalsContact C-N 3.34Å; F69-G71 VanDerWaalsContact C-N 3.26Å; F69-G71 PolarHBondContact O-N 3.04Å; F69-Q72 WeakPolarHBondContact O-CB 3.36Å; F69-Q72 PolarHBondContact O-N 3.36Å; F69-Q72 VanDerWaalsContact O-N 3.15Å; F69-Q73 HydrophobicContact CE1-CG 4.2Å; F69-Q73 HydrophobicContact CE2-CG 4.38Å; F69-Q73 HydrophobicContact CZ-CG 4.12Å; F69-Q73 PolarHBondContact O-N 3.09Å
70R92.1Very high92.9Very high50 Ų5061.5 Ų61.519%0.18931%0.31CS..Hα-helixtrans-60-36172.7-74.5-168.3-52.7-109-0.4112.4E66 R67 E68 K74 Y100E66-R70 WeakPolarHBondContact O-CG 3.46Å; E66-R70 PolarHBondContact O-N 3.22Å; E66-R70 IonicContact OE1-CZ 2.95Å; E66-R70 IonicContact OE1-NH1 3.64Å; E66-R70 PolarHBondContact OE1-NH1 3.29Å; E66-R70 IonicContact OE2-NH1 3.32Å; R67-R70 PolarHBondContact O-N 3.12Å; E68-R70 PolarHBondContact O-N 3.19Å; R70-K74 WeakPolarHBondContact O-CB 3.22Å; R70-K74 PolarHBondContact O-N 3.47Å; R70-Y100 HydrophobicContact CB-CD2 4.09Å; R70-Y100 HydrophobicContact CB-CE1 4.27Å; R70-Y100 HydrophobicContact CB-CE2 3.59Å; R70-Y100 HydrophobicContact CG-CD1 4.29Å; R70-Y100 HydrophobicContact CG-CD2 4.43Å; R70-Y100 HydrophobicContact CG-CE1 4.03Å; R70-Y100 HydrophobicContact CG-CE2 4.19Å; R70-Y100 HydrophobicContact CG-CG 4.48Å; R70-Y100 WeakPolarHBondContact O-CE2 3.23Å; R70-Y100 PolarHBondContact O-OH 3.25Å
71G92.8Very high92.8Very high33 Ų3361.4 Ų61.434%0.3431%0.31SS..Hα-helixtrans-64.1-42.6173.700000112.9R67 E68 F69 K74 S75R67-G71 PolarHBondContact O-N 3.32Å; R67-G71 VanDerWaalsContact O-N 3.08Å; E68-G71 WeakPolarHBondContact O-CA 3.43Å; E68-G71 PolarHBondContact O-N 3.46Å; E68-G71 VanDerWaalsContact O-N 3.08Å; F69-G71 VanDerWaalsContact C-N 3.26Å; F69-G71 PolarHBondContact O-N 3.04Å; G71-K74 PolarHBondContact O-N 3.3Å; G71-S75 PolarHBondContact O-N 3.09Å; G71-S75 VanDerWaalsContact O-N 3.08Å; G71-S75 PolarHBondContact O-OG 3.19Å
72Q91.6Very high92.6Very high92 Ų9261.9 Ų61.943%0.4331%0.306SS..Hα-helixtrans-63.4-50.5175.9-68.31723.800111.3E68 F69 K74 S75 E76E68-Q72 WeakPolarHBondContact O-CG 3.16Å; E68-Q72 PolarHBondContact O-N 3.36Å; F69-Q72 WeakPolarHBondContact O-CB 3.36Å; F69-Q72 PolarHBondContact O-N 3.36Å; F69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-K74 VanDerWaalsContact C-N 3.3Å; Q72-K74 PolarHBondContact O-N 3.49Å; Q72-S75 WeakPolarHBondContact O-CB 3.4Å; Q72-S75 PolarHBondContact O-N 2.94Å; Q72-S75 VanDerWaalsContact O-N 3.09Å; Q72-E76 PolarHBondContact O-N 3.05Å
73Q92.4Very high92.2Very high3 Ų365.4 Ų65.41%0.01432%0.32CS..Hα-helixtrans-56.4-44.1176.7-71.7-171.6-46.900112.2F69 S75 E76 V77 M91F69-Q73 HydrophobicContact CE1-CG 4.2Å; F69-Q73 HydrophobicContact CE2-CG 4.38Å; F69-Q73 HydrophobicContact CZ-CG 4.12Å; F69-Q73 PolarHBondContact O-N 3.09Å; Q73-S75 VanDerWaalsContact C-N 3.31Å; Q73-S75 PolarHBondContact O-N 3.35Å; Q73-E76 PolarHBondContact O-N 3.5Å; Q73-V77 WeakPolarHBondContact O-CG2 3.3Å; Q73-V77 PolarHBondContact O-N 3.26Å; Q73-M91 HydrophobicContact CB-CE 3.88Å
74K93.6Very high91.6Very high49 Ų4964.7 Ų64.721%0.21331%0.309CS..Hα-helixtrans-58.7-44.4176.8177.1-173.6173.9-165.50111.5R70 G71 Q72 E76 V77 E78 Y100 E103 L104R70-K74 WeakPolarHBondContact O-CB 3.22Å; R70-K74 PolarHBondContact O-N 3.47Å; G71-K74 PolarHBondContact O-N 3.3Å; Q72-K74 VanDerWaalsContact C-N 3.3Å; Q72-K74 PolarHBondContact O-N 3.49Å; K74-E76 VanDerWaalsContact C-N 3.34Å; K74-V77 PolarHBondContact O-N 2.93Å; K74-E78 WeakPolarHBondContact O-CB 3.35Å; K74-E78 PolarHBondContact O-N 3.31Å; K74-Y100 HydrophobicContact CB-CE2 4.44Å; K74-E103 HydrophobicContact CD-CG 4.06Å; K74-E103 WeakPolarHBondContact CD-OE1 3.44Å; K74-E103 WeakPolarHBondContact CE-OE1 3.29Å; K74-E103 IonicContact NZ-OE1 2.98Å; K74-E103 PolarHBondContact NZ-OE1 3.4Å; K74-L104 HydrophobicContact CB-CD2 4.13Å; K74-L104 HydrophobicContact CG-CD2 4.09Å
75S92.9Very high90.9Very high67 Ų6766.7 Ų66.747%0.46932%0.318SS..Hα-helixtrans-65.8-38.9-179-55.40000111.4G71 Q72 Q73 E78 R79G71-S75 PolarHBondContact O-N 3.09Å; G71-S75 VanDerWaalsContact O-N 3.08Å; G71-S75 PolarHBondContact O-OG 3.19Å; Q72-S75 WeakPolarHBondContact O-CB 3.4Å; Q72-S75 PolarHBondContact O-N 2.94Å; Q72-S75 VanDerWaalsContact O-N 3.09Å; Q73-S75 VanDerWaalsContact C-N 3.31Å; Q73-S75 PolarHBondContact O-N 3.35Å; S75-E78 PolarHBondContact O-N 3.45Å; S75-R79 WeakPolarHBondContact O-CB 3.46Å; S75-R79 PolarHBondContact O-N 3.17Å
76E92.3Very high90.6Very high54 Ų5464.3 Ų64.325%0.25231%0.313SS..Hα-helixtrans-66-43.3174.7-74.1-59.6137.400112.7V37 Q72 Q73 K74 R79 A80V37-E76 HydrophobicContact CG1-CB 4.1Å; Q72-E76 PolarHBondContact O-N 3.05Å; Q73-E76 PolarHBondContact O-N 3.5Å; K74-E76 VanDerWaalsContact C-N 3.34Å; E76-R79 PolarHBondContact O-N 3.01Å; E76-R79 IonicContact OE1-CZ 3.9Å; E76-R79 IonicContact OE1-NE 3.36Å; E76-R79 IonicContact OE1-NH2 2.9Å; E76-R79 PolarHBondContact OE1-NH2 3.3Å; E76-R79 IonicContact OE2-CZ 3.1Å; E76-R79 IonicContact OE2-NE 2.97Å; E76-R79 PolarHBondContact OE2-NE 3.06Å; E76-R79 IonicContact OE2-NH2 3.06Å; E76-R79 PolarHBondContact OE2-NH2 2.8Å; E76-A80 WeakPolarHBondContact O-CB 3.18Å; E76-A80 PolarHBondContact O-N 2.89Å
77V94.2Very high90.5Very high0 Ų064.7 Ų64.70%032%0.316CS..Hα-helixtrans-62.4-44.3173.8174.30000110.9L3 V37 Q73 K74 R79 A80 L81 V89 M91 M107L3-V77 HydrophobicContact CD1-CG1 3.53Å; L3-V77 HydrophobicContact CD2-CG1 3.92Å; L3-V77 HydrophobicContact CG-CG1 4.34Å; V37-V77 HydrophobicContact CB-CG2 4.07Å; V37-V77 HydrophobicContact CG1-CG2 3.91Å; V37-V77 HydrophobicContact CG2-CG2 4.2Å; Q73-V77 WeakPolarHBondContact O-CG2 3.3Å; Q73-V77 PolarHBondContact O-N 3.26Å; K74-V77 PolarHBondContact O-N 2.93Å; V77-R79 PolarHBondContact O-N 3.45Å; V77-A80 WeakPolarHBondContact O-CB 3.38Å; V77-A80 PolarHBondContact O-N 2.8Å; V77-L81 HydrophobicContact CG1-CD1 3.86Å; V77-L81 HydrophobicContact CG1-CG 4.32Å; V77-L81 VanDerWaalsContact O-CG 3.28Å; V77-L81 WeakPolarHBondContact O-CG 3.27Å; V77-L81 PolarHBondContact O-N 3.4Å; V77-V89 HydrophobicContact CG1-CG1 4.24Å; V77-M91 HydrophobicContact CG2-CB 4.35Å; V77-M91 HydrophobicContact CG2-CG 4.23Å; V77-M91 HydrophobicContact CG2-SD 3.9Å; V77-M107 HydrophobicContact CB-CE 4.18Å; V77-M107 HydrophobicContact CG1-CE 3.61Å
78E93.7Very high90.6Very high65 Ų6555.7 Ų55.730%0.30428%0.282SS..Hα-helixtrans-60.9-45.4178.2-178.2168.9-161.200111.6K74 S75 A80 L81 T82 M107 H111K74-E78 WeakPolarHBondContact O-CB 3.35Å; K74-E78 PolarHBondContact O-N 3.31Å; S75-E78 PolarHBondContact O-N 3.45Å; E78-A80 PolarHBondContact O-N 3.07Å; E78-L81 PolarHBondContact O-N 2.81Å; E78-T82 WeakPolarHBondContact O-CG2 3.36Å; E78-T82 PolarHBondContact O-N 2.9Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 3.15Å; E78-M107 HydrophobicContact CB-CE 4.46Å; E78-M107 HydrophobicContact CB-CG 4.06Å; E78-M107 HydrophobicContact CB-SD 3.79Å; E78-M107 HydrophobicContact CG-CG 4.12Å; E78-M107 HydrophobicContact CG-SD 4.08Å; E78-H111 IonicContact OE1-CD2 3.06Å; E78-H111 IonicContact OE1-CE1 3.58Å; E78-H111 IonicContact OE1-NE2 3.84Å; E78-H111 PolarHBondContact OE1-NE2 2.97Å
79R92.1Very high90.8Very high131 Ų13150.7 Ų50.749%0.49426%0.259SS..Hα-helixtrans-59.5-46.4174.1-176.1170.970.4161.22.5111.8S75 E76 V77 L81 T82 Q83S75-R79 WeakPolarHBondContact O-CB 3.46Å; S75-R79 PolarHBondContact O-N 3.17Å; E76-R79 PolarHBondContact O-N 3.01Å; E76-R79 IonicContact OE1-CZ 3.9Å; E76-R79 IonicContact OE1-NE 3.36Å; E76-R79 IonicContact OE1-NH2 2.9Å; E76-R79 PolarHBondContact OE1-NH2 3.3Å; E76-R79 IonicContact OE2-CZ 3.1Å; E76-R79 IonicContact OE2-NE 2.97Å; E76-R79 PolarHBondContact OE2-NE 3.06Å; E76-R79 IonicContact OE2-NH2 3.06Å; E76-R79 PolarHBondContact OE2-NH2 2.8Å; V77-R79 PolarHBondContact O-N 3.45Å; R79-L81 VanDerWaalsContact C-N 3.32Å; R79-L81 PolarHBondContact O-N 2.79Å; R79-T82 WeakPolarHBondContact CA-OG1 3.42Å; R79-T82 PolarHBondContact O-N 3.35Å; R79-T82 PolarHBondContact O-OG1 3.1Å; R79-T82 VanDerWaalsContact O-OG1 3.11Å; R79-Q83 HydrophobicContact CG-CG 4.25Å; R79-Q83 WeakPolarHBondContact O-CB 3.08Å; R79-Q83 VanDerWaalsContact O-CG 3.24Å; R79-Q83 WeakPolarHBondContact O-CG 3.42Å; R79-Q83 PolarHBondContact O-N 3.27Å
80A92.5Very high91Very high3 Ų350.5 Ų50.53%0.02526%0.258CS..Hα-helixtrans-60.5-40178.100000113.2L35 V37 E76 V77 E78 T82 V89L35-A80 HydrophobicContact CD2-CB 3.23Å; V37-A80 HydrophobicContact CG2-CB 4.38Å; E76-A80 WeakPolarHBondContact O-CB 3.18Å; E76-A80 PolarHBondContact O-N 2.89Å; V77-A80 WeakPolarHBondContact O-CB 3.38Å; V77-A80 PolarHBondContact O-N 2.8Å; E78-A80 PolarHBondContact O-N 3.07Å; A80-T82 VanDerWaalsContact C-N 3.34Å; A80-V89 HydrophobicContact CB-CG1 3.98Å; A80-V89 HydrophobicContact CB-CG2 3.68Å
81L91.5Very high91.2Very high4 Ų448.1 Ų48.12%0.02125%0.249CC..Hα-helixtrans-69.9-32.1179.2-71.8169.9000112.3L3 V77 E78 R79 V89 M107 A108 H113L3-L81 HydrophobicContact CB-CD1 4.27Å; L3-L81 HydrophobicContact CB-CD2 4.21Å; L3-L81 HydrophobicContact CD2-CD1 4.45Å; V77-L81 HydrophobicContact CG1-CD1 3.86Å; V77-L81 HydrophobicContact CG1-CG 4.32Å; V77-L81 VanDerWaalsContact O-CG 3.28Å; V77-L81 WeakPolarHBondContact O-CG 3.27Å; V77-L81 PolarHBondContact O-N 3.4Å; E78-L81 PolarHBondContact O-N 2.81Å; R79-L81 VanDerWaalsContact C-N 3.32Å; R79-L81 PolarHBondContact O-N 2.79Å; L81-V89 HydrophobicContact CD2-CB 3.91Å; L81-V89 HydrophobicContact CD2-CG2 3.63Å; L81-V89 HydrophobicContact CG-CB 4.35Å; L81-V89 HydrophobicContact CG-CG2 3.98Å; L81-M107 HydrophobicContact CD1-CE 4.01Å; L81-M107 HydrophobicContact CD1-SD 3.85Å; L81-A108 HydrophobicContact CD1-CB 4.36Å; L81-H113 HydrophobicContact CD2-CB 4.39Å; L81-H113 PolarHBondContact O-CE1 2.97Å; L81-H113 VanDerWaalsContact O-CE1 3.25Å; L81-H113 PolarHBondContact O-NE2 3.33Å
82T89.6Confident91.4Very high78 Ų7847.2 Ų47.248%0.47924%0.236SC..Hα-helixtrans-91.1-22.3-174.750.70000114E78 R79 A80E78-T82 WeakPolarHBondContact O-CG2 3.36Å; E78-T82 PolarHBondContact O-N 2.9Å; E78-T82 VanDerWaalsContact O-N 3.1Å; E78-T82 PolarHBondContact O-OG1 3.15Å; R79-T82 WeakPolarHBondContact CA-OG1 3.42Å; R79-T82 PolarHBondContact O-N 3.35Å; R79-T82 PolarHBondContact O-OG1 3.1Å; R79-T82 VanDerWaalsContact O-OG1 3.11Å; A80-T82 VanDerWaalsContact C-N 3.34Å
83Q86.2Confident91.5Very high132 Ų13242.9 Ų42.962%0.61722%0.216SC*.Hα-helixtrans-63.7-45.3-178.6-87.5174.9-7.900113.9R79R79-Q83 HydrophobicContact CG-CG 4.25Å; R79-Q83 WeakPolarHBondContact O-CB 3.08Å; R79-Q83 VanDerWaalsContact O-CG 3.24Å; R79-Q83 WeakPolarHBondContact O-CG 3.42Å; R79-Q83 PolarHBondContact O-N 3.27Å
84N81.1Confident91.5Very high78 Ų7842.9 Ų42.942%0.41722%0.216SC..  trans-146.3128.2-176-176.80.3000111.9S86 T87N84-S86 PolarHBondContact ND2-OG 3.36Å; N84-S86 PolarHBondContact O-N 2.85Å; N84-S86 PolarHBondContact OD1-N 3.14Å; N84-S86 VanDerWaalsContact OD1-N 3.11Å; N84-S86 PolarHBondContact OD1-OG 2.94Å; N84-T87 WeakPolarHBondContact CB-OG1 3.45Å; N84-T87 PolarHBondContact O-N 3.46Å; N84-T87 VanDerWaalsContact O-N 3.16Å; N84-T87 PolarHBondContact O-OG1 3.21Å
85Q78.8Confident91.6Very high167 Ų16740.9 Ų40.978%0.7821%0.208SC*.THydrogen-bonded Turntrans-65.8-14.2-179-66.1-173.9-2.600114.2M1M1-Q85 WeakPolarHBondContact CE-O 3.43Å; M1-Q85 WeakPolarHBondContact CG-O 3.5Å
86S86.8Confident91.5Very high40 Ų4038 Ų3828%0.2819%0.187SC..THydrogen-bonded Turntrans-10217.5174.959.40000113.9Y32 S33 N84Y32-S86 CarbonylContact C-O 3.52Å; Y32-S86 VanDerWaalsContact CA-O 3.24Å; Y32-S86 WeakPolarHBondContact CA-O 3.33Å; Y32-S86 VanDerWaalsContact CD1-O 3.3Å; Y32-S86 WeakPolarHBondContact CD1-O 3.17Å; S33-S86 PolarHBondContact N-O 3.21Å; S33-S86 PolarHBondContact OG-O 2.92Å; N84-S86 PolarHBondContact ND2-OG 3.36Å; N84-S86 PolarHBondContact O-N 2.85Å; N84-S86 PolarHBondContact OD1-N 3.14Å; N84-S86 VanDerWaalsContact OD1-N 3.11Å; N84-S86 PolarHBondContact OD1-OG 2.94Å
87T91.5Very high91.6Very high14 Ų1437.8 Ų37.89%0.08619%0.187CC..EExtended strand (participates in β ladder)trans-93.5132.3178-51.20000112.4S33 L35 N84 V89S33-T87 CarbonylContact O-C 3.59Å; S33-T87 VanDerWaalsContact O-CA 3.3Å; S33-T87 WeakPolarHBondContact O-CA 3.34Å; S33-T87 WeakPolarHBondContact OG-CA 3.4Å; S33-T87 PolarHBondContact OG-OG1 2.85Å; L35-T87 HydrophobicContact CB-CG2 3.77Å; N84-T87 WeakPolarHBondContact CB-OG1 3.45Å; N84-T87 PolarHBondContact O-N 3.46Å; N84-T87 VanDerWaalsContact O-N 3.16Å; N84-T87 PolarHBondContact O-OG1 3.21Å; T87-V89 HydrophobicContact CG2-CG2 3.95Å
88I94.1Very high91.6Very high0 Ų040.9 Ų40.90%020%0.2CC..EExtended strand (participates in β ladder)trans-97.2120.1162.6-62.2173.2000106.9P2 I4 L25 L29 Y32 S33 I34 L35 I90 L189P2-I88 HydrophobicContact CG-CG1 4.26Å; P2-I88 HydrophobicContact CG-CG2 4.36Å; I4-I88 HydrophobicContact CD1-CG2 3.68Å; I4-I88 HydrophobicContact CG1-CG2 4.22Å; L25-I88 HydrophobicContact CD1-CG2 4.43Å; L29-I88 HydrophobicContact CD1-CD1 3.94Å; Y32-I88 HydrophobicContact CD1-CD1 4.12Å; Y32-I88 HydrophobicContact CD1-CG1 3.94Å; Y32-I88 HydrophobicContact CG-CD1 4.02Å; Y32-I88 HydrophobicContact CG-CG1 4.27Å; S33-I88 PolarHBondContact O-N 2.83Å; I34-I88 HydrophobicContact CD1-CB 3.8Å; I34-I88 HydrophobicContact CD1-CD1 3.85Å; I34-I88 HydrophobicContact CD1-CG1 4.23Å; I34-I88 HydrophobicContact CD1-CG2 4.41Å; L35-I88 PolarHBondContact N-O 3.07Å; I88-I90 HydrophobicContact CG2-CG1 4.46Å; I88-L189 HydrophobicContact CD1-CD1 3.92Å
89V95.8Very high91.6Very high0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-100.8124-178.8-177.10000108.5P2 L3 I4 L35 V37 V77 A80 L81 T87P2-V89 PolarHBondContact O-N 3.15Å; L3-V89 CarbonylContact C-O 3.54Å; L3-V89 WeakPolarHBondContact CA-O 3.48Å; L3-V89 HydrophobicContact CD1-CB 4.31Å; L3-V89 HydrophobicContact CD1-CG1 4.13Å; I4-V89 PolarHBondContact N-O 3.08Å; L35-V89 CarbonylContact O-C 3.58Å; L35-V89 WeakPolarHBondContact O-CA 3.26Å; V37-V89 HydrophobicContact CG2-CG1 3.95Å; V77-V89 HydrophobicContact CG1-CG1 4.24Å; A80-V89 HydrophobicContact CB-CG1 3.98Å; A80-V89 HydrophobicContact CB-CG2 3.68Å; L81-V89 HydrophobicContact CD2-CB 3.91Å; L81-V89 HydrophobicContact CD2-CG2 3.63Å; L81-V89 HydrophobicContact CG-CB 4.35Å; L81-V89 HydrophobicContact CG-CG2 3.98Å; T87-V89 HydrophobicContact CG2-CG2 3.95Å
90I96.5Very high91.8Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-109.6121.4175.4-50.3178000107.9I4 L6 V18 L21 A22 L25 I34 L35 I36 V37 I88I4-I90 HydrophobicContact CB-CG1 4.26Å; I4-I90 HydrophobicContact CB-CG2 4.39Å; I4-I90 HydrophobicContact CD1-CG1 4.25Å; I4-I90 HydrophobicContact CG2-CG2 4.37Å; I4-I90 CarbonylContact O-C 3.52Å; I4-I90 WeakPolarHBondContact O-CA 3.43Å; L6-I90 HydrophobicContact CD1-CG2 3.7Å; V18-I90 HydrophobicContact CB-CG2 4.49Å; V18-I90 HydrophobicContact CG1-CG2 3.98Å; V18-I90 HydrophobicContact CG2-CG2 3.88Å; L21-I90 HydrophobicContact CD2-CD1 4.37Å; L21-I90 HydrophobicContact CG-CD1 4.47Å; A22-I90 HydrophobicContact CB-CD1 4.27Å; L25-I90 HydrophobicContact CD1-CD1 4.07Å; I34-I90 HydrophobicContact CG2-CD1 3.69Å; I34-I90 HydrophobicContact CG2-CG1 4.25Å; L35-I90 PolarHBondContact O-N 2.92Å; I36-I90 WeakPolarHBondContact CA-O 3.44Å; I36-I90 HydrophobicContact CG1-CB 4.45Å; V37-I90 PolarHBondContact N-O 3.02Å; I88-I90 HydrophobicContact CG2-CG1 4.46Å
91M96Very high91.9Very high0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-96.9110.5176.2-176.9174-175.800109.8L3 I4 L5 L6 V37 Q73 V77 A93 N95 Y100 L104L3-M91 HydrophobicContact CD1-CB 4.29Å; I4-M91 PolarHBondContact O-N 3.35Å; L5-M91 HydrophobicContact CD1-CB 4.02Å; L5-M91 HydrophobicContact CD1-CG 4.06Å; L5-M91 HydrophobicContact CD1-SD 3.49Å; L5-M91 WeakPolarHBondContact CD1-SD 3.34Å; L6-M91 PolarHBondContact N-O 2.79Å; V37-M91 WeakPolarHBondContact O-CA 3.4Å; Q73-M91 HydrophobicContact CB-CE 3.88Å; V77-M91 HydrophobicContact CG2-CB 4.35Å; V77-M91 HydrophobicContact CG2-CG 4.23Å; V77-M91 HydrophobicContact CG2-SD 3.9Å; M91-A93 HydrophobicContact CE-CB 4Å; M91-A93 HydrophobicContact CG-CB 4.38Å; M91-N95 WeakPolarHBondContact CE-OD1 3.42Å; M91-Y100 HydrophobicContact CE-CE1 3.89Å; M91-L104 HydrophobicContact CE-CD1 4.06Å; M91-L104 HydrophobicContact SD-CD1 3.55Å; M91-L104 VanDerWaalsContact SD-CD1 3.55Å; M91-L104 HydrophobicContact SD-CD2 4.22Å
92D95.7Very high92.1Very high14 Ų1438.7 Ų38.78%0.07520%0.204CC..EExtended strand (participates in β ladder)trans-95.588.9174.8-172.317.2000110K14 S15 V18 I36 V37 D38K14-D92 WeakPolarHBondContact CB-OD1 3.42Å; S15-D92 VanDerWaalsContact CA-OD2 3.25Å; S15-D92 WeakPolarHBondContact CA-OD2 3.4Å; S15-D92 WeakPolarHBondContact CB-OD2 3.31Å; S15-D92 PolarHBondContact OG-OD2 3.01Å; V18-D92 HydrophobicContact CG1-CB 4.44Å; V18-D92 HydrophobicContact CG2-CB 3.91Å; I36-D92 HydrophobicContact CG2-CB 4.3Å; V37-D92 PolarHBondContact O-N 3.09Å; D38-D92 WeakPolarHBondContact CA-O 3.34Å; D38-D92 HydrophobicContact CB-CB 4.15Å
93A94.2Very high92.4Very high1 Ų139 Ų391%0.00820%0.2CC..SBendtrans-150.5163.6175.700000110.1K14 E39 M91 N95K14-A93 WeakPolarHBondContact CD-O 3.23Å; K14-A93 WeakPolarHBondContact CE-O 3.4Å; E39-A93 HydrophobicContact CG-CB 4.35Å; M91-A93 HydrophobicContact CE-CB 4Å; M91-A93 HydrophobicContact CG-CB 4.38Å; A93-N95 VanDerWaalsContact C-N 3.3Å; A93-N95 PolarHBondContact O-N 3.31Å; A93-N95 PolarHBondContact O-ND2 3.35Å
94P93.6Very high92.9Very high4 Ų432.7 Ų32.73%0.02617%0.171CC..  trans-56-40.3176.7-3038.7000114.4C7 G8 E39 Y96C7-P94 WeakPolarHBondContact CA-O 3.05Å; G8-P94 PolarHBondContact N-O 3.28Å; G8-P94 VanDerWaalsContact N-O 3.09Å; E39-P94 WeakPolarHBondContact OE1-CD 3.43Å; P94-Y96 HydrophobicContact CB-CD1 3.64Å; P94-Y96 HydrophobicContact CB-CE1 4.42Å; P94-Y96 PolarHBondContact O-N 2.92Å; P94-Y96 VanDerWaalsContact O-N 3.08Å
95N95Very high93.5Very high6 Ų631 Ų313%0.03216%0.159CC..  trans45.840.9179-63.6-47.9000113.4L5 L6 C7 M91 A93 Y100 R101L5-N95 HydrophobicContact CD1-CB 4.23Å; L5-N95 WeakPolarHBondContact CD1-ND2 3.32Å; L5-N95 HydrophobicContact CD2-CB 4.43Å; L5-N95 HydrophobicContact CG-CB 4.32Å; L6-N95 WeakPolarHBondContact O-CB 3.34Å; L6-N95 PolarHBondContact O-ND2 3.46Å; C7-N95 HydrophobicContact CB-CB 4.02Å; M91-N95 WeakPolarHBondContact CE-OD1 3.42Å; A93-N95 VanDerWaalsContact C-N 3.3Å; A93-N95 PolarHBondContact O-N 3.31Å; A93-N95 PolarHBondContact O-ND2 3.35Å; N95-Y100 WeakPolarHBondContact OD1-CE1 3.39Å; N95-R101 HydrophobicContact CB-CG 4.33Å; N95-R101 WeakPolarHBondContact O-CD 3.28Å; N95-R101 WeakPolarHBondContact O-CG 3.42Å; N95-R101 PolarHBondContact O-NH1 3.21Å; N95-R101 VanDerWaalsContact O-NH1 3.13Å
96Y91Very high94.2Very high7 Ų724.5 Ų24.53%0.02713%0.132CC..  trans-79.5-25-165.962.4-109000113.8Y60 E66 P94 R101 M145 R148 E150Y60-Y96 HydrophobicContact CD1-CE1 4.43Å; Y60-Y96 HydrophobicContact CE1-CE1 4.21Å; E66-Y96 WeakPolarHBondContact OE1-CE1 3.08Å; E66-Y96 PolarHBondContact OE1-OH 3.16Å; E66-Y96 PolarHBondContact OE2-OH 3Å; P94-Y96 HydrophobicContact CB-CD1 3.64Å; P94-Y96 HydrophobicContact CB-CE1 4.42Å; P94-Y96 PolarHBondContact O-N 2.92Å; P94-Y96 VanDerWaalsContact O-N 3.08Å; Y96-R101 PolarHBondContact O-NH1 3.25Å; Y96-M145 HydrophobicContact CE1-CE 4.26Å; Y96-R148 HydrophobicContact CD2-CB 3.84Å; Y96-R148 HydrophobicContact CE2-CB 3.47Å; Y96-R148 VanDerWaalsContact CE2-CB 3.47Å; Y96-R148 HydrophobicContact CE2-CG 4.33Å; Y96-R148 PolarHBondContact OH-NH1 3.03Å; Y96-E150 PolarHBondContact O-N 2.85Å
97I93Very high94.6Very high50 Ų5023 Ų2326%0.25612%0.12SC..  trans-87.9125.6178.2-48.2-177.7000110G99 Y100 R101I97-G99 VanDerWaalsContact C-N 3.31Å; I97-G99 PolarHBondContact O-N 3.3Å; I97-Y100 PolarHBondContact O-N 2.9Å; I97-Y100 VanDerWaalsContact O-N 3.15Å; I97-R101 PolarHBondContact O-N 3.45Å
98K94.5Very high94.6Very high65 Ų6522.4 Ų22.428%0.28312%0.116SC..Hα-helixtrans-56.4-43.4177.3177.6-174.5175.4-174.70112.4Y100 R101 Y102 E150 W158K98-Y100 VanDerWaalsContact C-N 3.25Å; K98-Y100 PolarHBondContact O-N 3.34Å; K98-R101 PolarHBondContact O-N 2.57Å; K98-Y102 PolarHBondContact O-N 3.09Å; K98-E150 HydrophobicContact CB-CB 4.16Å; K98-E150 WeakPolarHBondContact CB-OE2 3.28Å; K98-E150 PolarHBondContact N-OE2 2.88Å; K98-W158 HydrophobicContact CD-CH2 4.32Å; K98-W158 HydrophobicContact CG-CH2 3.67Å; K98-W158 HydrophobicContact CG-CZ3 4.35Å
99G94.7Very high94.4Very high48 Ų4824.2 Ų24.250%0.49512%0.124SC..Hα-helixtrans-57-38.7178.400000112.8I97 Y102 E103I97-G99 VanDerWaalsContact C-N 3.31Å; I97-G99 PolarHBondContact O-N 3.3Å; G99-Y102 PolarHBondContact O-N 3.21Å; G99-E103 PolarHBondContact O-N 2.93Å
100Y95.3Very high94.1Very high10 Ų1026.1 Ų26.14%0.03914%0.138CC..Hα-helixtrans-72.8-39.4177.9-175.8-122.7000112.4R70 K74 M91 N95 I97 K98 Y102 E103 L104R70-Y100 HydrophobicContact CB-CD2 4.09Å; R70-Y100 HydrophobicContact CB-CE1 4.27Å; R70-Y100 HydrophobicContact CB-CE2 3.59Å; R70-Y100 HydrophobicContact CG-CD1 4.29Å; R70-Y100 HydrophobicContact CG-CD2 4.43Å; R70-Y100 HydrophobicContact CG-CE1 4.03Å; R70-Y100 HydrophobicContact CG-CE2 4.19Å; R70-Y100 HydrophobicContact CG-CG 4.48Å; R70-Y100 WeakPolarHBondContact O-CE2 3.23Å; R70-Y100 PolarHBondContact O-OH 3.25Å; K74-Y100 HydrophobicContact CB-CE2 4.44Å; M91-Y100 HydrophobicContact CE-CE1 3.89Å; N95-Y100 WeakPolarHBondContact OD1-CE1 3.39Å; I97-Y100 PolarHBondContact O-N 2.9Å; I97-Y100 VanDerWaalsContact O-N 3.15Å; K98-Y100 VanDerWaalsContact C-N 3.25Å; K98-Y100 PolarHBondContact O-N 3.34Å; Y100-Y102 VanDerWaalsContact C-N 3.27Å; Y100-Y102 PolarHBondContact O-N 3.26Å; Y100-E103 WeakPolarHBondContact O-CB 3.4Å; Y100-E103 PolarHBondContact O-N 3.15Å; Y100-E103 VanDerWaalsContact O-N 3.15Å; Y100-L104 HydrophobicContact CD1-CD1 4.04Å; Y100-L104 HydrophobicContact CE1-CD1 3.69Å; Y100-L104 HydrophobicContact CE1-CG 4.35Å; Y100-L104 HydrophobicContact CE2-CG 4.32Å; Y100-L104 WeakPolarHBondContact O-CG 3.47Å; Y100-L104 PolarHBondContact O-N 2.88Å
101R96.2Very high93.8Very high1 Ų129.2 Ų29.20%0.00415%0.152CC..Hα-helixtrans-59.6-40.6173.1-59.8-162.6-63.8-90.33.1111.7L5 N95 Y96 I97 K98 L104 Y105 Q115 E150 D159L5-R101 HydrophobicContact CD2-CB 4.06Å; L5-R101 HydrophobicContact CD2-CG 3.85Å; N95-R101 HydrophobicContact CB-CG 4.33Å; N95-R101 WeakPolarHBondContact O-CD 3.28Å; N95-R101 WeakPolarHBondContact O-CG 3.42Å; N95-R101 PolarHBondContact O-NH1 3.21Å; N95-R101 VanDerWaalsContact O-NH1 3.13Å; Y96-R101 PolarHBondContact O-NH1 3.25Å; I97-R101 PolarHBondContact O-N 3.45Å; K98-R101 PolarHBondContact O-N 2.57Å; R101-L104 PolarHBondContact O-N 2.96Å; R101-Y105 PolarHBondContact O-N 3.37Å; R101-Q115 PolarHBondContact O-NE2 2.8Å; R101-E150 PolarHBondContact NH1-O 3.3Å; R101-E150 PolarHBondContact NH2-O 3.48Å; R101-D159 IonicContact CZ-OD1 3.78Å; R101-D159 IonicContact CZ-OD2 2.9Å; R101-D159 IonicContact NE-OD1 3.04Å; R101-D159 PolarHBondContact NE-OD1 2.96Å; R101-D159 IonicContact NE-OD2 2.58Å; R101-D159 IonicContact NH2-OD1 2.89Å; R101-D159 PolarHBondContact NH2-OD1 3.4Å; R101-D159 IonicContact NH2-OD2 3.39Å; R101-D159 PolarHBondContact NH2-OD2 2.86Å
102Y95.5Very high93.3Very high97 Ų9735.7 Ų35.738%0.3818%0.18SC..Hα-helixtrans-63.6-41.5174.4-173.4-112.8000112.4K98 G99 Y100 L104 Y105 C106 W158K98-Y102 PolarHBondContact O-N 3.09Å; G99-Y102 PolarHBondContact O-N 3.21Å; Y100-Y102 VanDerWaalsContact C-N 3.27Å; Y100-Y102 PolarHBondContact O-N 3.26Å; Y102-L104 VanDerWaalsContact C-N 3.34Å; Y102-L104 PolarHBondContact O-N 3.3Å; Y102-Y105 HydrophobicContact CD2-CD1 4.23Å; Y102-Y105 HydrophobicContact CE2-CD1 4.13Å; Y102-Y105 WeakPolarHBondContact O-CB 3.18Å; Y102-Y105 PolarHBondContact O-N 2.82Å; Y102-C106 VanDerWaalsContact CZ-SG 3.55Å; Y102-C106 WeakPolarHBondContact O-CB 3.4Å; Y102-C106 PolarHBondContact O-N 2.72Å; Y102-C106 PolarHBondContact O-SG 3.36Å; Y102-W158 AromaticContact CD2-CD2 3.61Å; Y102-W158 HydrophobicContact CD2-CD2 3.61Å; Y102-W158 AromaticContact CD2-CE2 3.5Å; Y102-W158 AromaticContact CD2-CE3 3.84Å; Y102-W158 HydrophobicContact CD2-CE3 3.84Å; Y102-W158 HydrophobicContact CD2-CG 4.18Å; Y102-W158 AromaticContact CD2-CH2 3.91Å; Y102-W158 HydrophobicContact CD2-CH2 3.91Å; Y102-W158 AromaticContact CD2-CZ2 3.64Å; Y102-W158 HydrophobicContact CD2-CZ2 3.64Å; Y102-W158 HydrophobicContact CD2-CZ3 4.01Å; Y102-W158 HydrophobicContact CE2-CD2 4.23Å; Y102-W158 AromaticContact CE2-CE2 3.97Å; Y102-W158 HydrophobicContact CE2-CG 4.39Å; Y102-W158 HydrophobicContact CE2-CZ2 4.35Å; Y102-W158 AromaticContact CE2-NE1 4Å; Y102-W158 HydrophobicContact CG-CH2 4.15Å; Y102-W158 HydrophobicContact CG-CZ2 4.21Å; Y102-W158 HydrophobicContact CG-CZ3 4.33Å
103E95.2Very high93Very high84 Ų8436.1 Ų36.139%0.39318%0.182SC..Hα-helixtrans-60.2-44.6176.1-171.5179.6-179.100111.8K74 G99 Y100 C106 M107K74-E103 HydrophobicContact CD-CG 4.06Å; K74-E103 WeakPolarHBondContact CD-OE1 3.44Å; K74-E103 WeakPolarHBondContact CE-OE1 3.29Å; K74-E103 IonicContact NZ-OE1 2.98Å; K74-E103 PolarHBondContact NZ-OE1 3.4Å; G99-E103 PolarHBondContact O-N 2.93Å; Y100-E103 WeakPolarHBondContact O-CB 3.4Å; Y100-E103 PolarHBondContact O-N 3.15Å; Y100-E103 VanDerWaalsContact O-N 3.15Å; E103-C106 PolarHBondContact O-N 3.36Å; E103-M107 PolarHBondContact O-N 3.22Å
104L95.8Very high92.7Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-64.3-38.9174.5-68.4169.6000112.1L3 L5 K74 M91 Y100 R101 Y102 M107 A108L3-L104 HydrophobicContact CD2-CB 4.5Å; L5-L104 HydrophobicContact CD1-CD1 3.57Å; L5-L104 HydrophobicContact CD2-CD1 4.41Å; K74-L104 HydrophobicContact CB-CD2 4.13Å; K74-L104 HydrophobicContact CG-CD2 4.09Å; M91-L104 HydrophobicContact CE-CD1 4.06Å; M91-L104 HydrophobicContact SD-CD1 3.55Å; M91-L104 VanDerWaalsContact SD-CD1 3.55Å; M91-L104 HydrophobicContact SD-CD2 4.22Å; Y100-L104 HydrophobicContact CD1-CD1 4.04Å; Y100-L104 HydrophobicContact CE1-CD1 3.69Å; Y100-L104 HydrophobicContact CE1-CG 4.35Å; Y100-L104 HydrophobicContact CE2-CG 4.32Å; Y100-L104 WeakPolarHBondContact O-CG 3.47Å; Y100-L104 PolarHBondContact O-N 2.88Å; R101-L104 PolarHBondContact O-N 2.96Å; Y102-L104 VanDerWaalsContact C-N 3.34Å; Y102-L104 PolarHBondContact O-N 3.3Å; L104-M107 HydrophobicContact CD2-CE 4.09Å; L104-M107 PolarHBondContact O-N 3.38Å; L104-A108 WeakPolarHBondContact O-CB 3.37Å; L104-A108 PolarHBondContact O-N 3.42Å
105Y94.7Very high92.6Very high42 Ų4240.4 Ų40.417%0.16520%0.201CC..Hα-helixtrans-59.4-49174.2170.7-104.3000111.1R101 Y102 M107 A108 K109 Q115 W158R101-Y105 PolarHBondContact O-N 3.37Å; Y102-Y105 HydrophobicContact CD2-CD1 4.23Å; Y102-Y105 HydrophobicContact CE2-CD1 4.13Å; Y102-Y105 WeakPolarHBondContact O-CB 3.18Å; Y102-Y105 PolarHBondContact O-N 2.82Å; Y105-M107 PolarHBondContact O-N 3.39Å; Y105-A108 PolarHBondContact O-N 2.95Å; Y105-K109 HydrophobicContact CE1-CD 3.9Å; Y105-K109 WeakPolarHBondContact O-CB 3.41Å; Y105-K109 PolarHBondContact O-N 2.72Å; Y105-Q115 VanDerWaalsContact CB-OE1 3.29Å; Y105-Q115 HydrophobicContact CD2-CB 4.15Å; Y105-W158 HydrophobicContact CD1-CB 3.74Å; Y105-W158 HydrophobicContact CD1-CG 4.27Å; Y105-W158 HydrophobicContact CD2-CB 3.66Å; Y105-W158 HydrophobicContact CE1-CB 3.74Å; Y105-W158 HydrophobicContact CE1-CG 4.38Å; Y105-W158 HydrophobicContact CE2-CB 3.67Å; Y105-W158 HydrophobicContact CG-CB 3.7Å
106C93.9Very high92.5Very high32 Ų3240.5 Ų40.522%0.21620%0.201CC..Hα-helixtrans-60.9-44.1179.2-77.50000111.8Y102 E103 K109 S110Y102-C106 VanDerWaalsContact CZ-SG 3.55Å; Y102-C106 WeakPolarHBondContact O-CB 3.4Å; Y102-C106 PolarHBondContact O-N 2.72Å; Y102-C106 PolarHBondContact O-SG 3.36Å; E103-C106 PolarHBondContact O-N 3.36Å; C106-K109 PolarHBondContact O-N 3.29Å; C106-S110 PolarHBondContact O-N 3.32Å; C106-S110 PolarHBondContact O-OG 3.05Å
107M94.1Very high92.6Very high9 Ų940.3 Ų40.34%0.04420%0.201CC..Hα-helixtrans-62.6-48175.8173.5-76.6-67.400111.6L3 V77 E78 L81 E103 L104 Y105 K109 S110 H111L3-M107 HydrophobicContact CD2-CE 4.32Å; V77-M107 HydrophobicContact CB-CE 4.18Å; V77-M107 HydrophobicContact CG1-CE 3.61Å; E78-M107 HydrophobicContact CB-CE 4.46Å; E78-M107 HydrophobicContact CB-CG 4.06Å; E78-M107 HydrophobicContact CB-SD 3.79Å; E78-M107 HydrophobicContact CG-CG 4.12Å; E78-M107 HydrophobicContact CG-SD 4.08Å; L81-M107 HydrophobicContact CD1-CE 4.01Å; L81-M107 HydrophobicContact CD1-SD 3.85Å; E103-M107 PolarHBondContact O-N 3.22Å; L104-M107 HydrophobicContact CD2-CE 4.09Å; L104-M107 PolarHBondContact O-N 3.38Å; Y105-M107 PolarHBondContact O-N 3.39Å; M107-K109 VanDerWaalsContact C-N 3.29Å; M107-K109 PolarHBondContact O-N 2.95Å; M107-S110 PolarHBondContact O-N 3.36Å; M107-S110 PolarHBondContact O-OG 2.97Å; M107-H111 PolarHBondContact O-CD2 3.02Å; M107-H111 VanDerWaalsContact O-CD2 3.25Å; M107-H111 PolarHBondContact O-N 3.07Å
108A92.9Very high92.6Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-61.1-43177.100000110.7L3 L81 L104 Y105 S110 H111 K112 H113L3-A108 HydrophobicContact CB-CB 4.37Å; L3-A108 HydrophobicContact CD2-CB 4.1Å; L81-A108 HydrophobicContact CD1-CB 4.36Å; L104-A108 WeakPolarHBondContact O-CB 3.37Å; L104-A108 PolarHBondContact O-N 3.42Å; Y105-A108 PolarHBondContact O-N 2.95Å; A108-S110 PolarHBondContact O-N 3.46Å; A108-H111 CarbonylContact O-C 3.57Å; A108-H111 PolarHBondContact O-N 2.88Å; A108-K112 PolarHBondContact O-N 3.5Å; A108-H113 CarbonylContact C-O 3.53Å; A108-H113 HydrophobicContact CB-CB 4.11Å; A108-H113 WeakPolarHBondContact O-CA 3.26Å; A108-H113 WeakPolarHBondContact O-CB 3.35Å; A108-H113 PolarHBondContact O-N 2.99Å
109K90Very high92.6Very high38 Ų3835.5 Ų35.517%0.16518%0.179CC..Hα-helixtrans-64.4-39179.5-172.3-177.7-173.9174.70112.9Y105 C106 M107 H111 K112 I197 Q198 N200Y105-K109 HydrophobicContact CE1-CD 3.9Å; Y105-K109 WeakPolarHBondContact O-CB 3.41Å; Y105-K109 PolarHBondContact O-N 2.72Å; C106-K109 PolarHBondContact O-N 3.29Å; M107-K109 VanDerWaalsContact C-N 3.29Å; M107-K109 PolarHBondContact O-N 2.95Å; K109-H111 PolarHBondContact O-N 2.83Å; K109-K112 PolarHBondContact O-N 2.76Å; K109-I197 HydrophobicContact CG-CG2 3.82Å; K109-Q198 WeakPolarHBondContact CE-O 3.32Å; K109-N200 WeakPolarHBondContact CE-OD1 3.36Å; K109-N200 PolarHBondContact NZ-OD1 3.3Å
110S89.6Confident92.7Very high40 Ų4033.3 Ų33.328%0.2816%0.155SC..Hα-helixtrans-60.4-35.8177.660.30000111.4C106 M107 A108 K112C106-S110 PolarHBondContact O-N 3.32Å; C106-S110 PolarHBondContact O-OG 3.05Å; M107-S110 PolarHBondContact O-N 3.36Å; M107-S110 PolarHBondContact O-OG 2.97Å; A108-S110 PolarHBondContact O-N 3.46Å; S110-K112 VanDerWaalsContact C-N 3.28Å; S110-K112 PolarHBondContact O-N 3.47Å
111H88.4Confident92.6Very high66 Ų6634.4 Ų34.431%0.30616%0.162SC..THydrogen-bonded Turntrans-86.79.7175.3-64.9-63.9000113.9E78 M107 A108 K109 H113E78-H111 IonicContact OE1-CD2 3.06Å; E78-H111 IonicContact OE1-CE1 3.58Å; E78-H111 IonicContact OE1-NE2 3.84Å; E78-H111 PolarHBondContact OE1-NE2 2.97Å; M107-H111 PolarHBondContact O-CD2 3.02Å; M107-H111 VanDerWaalsContact O-CD2 3.25Å; M107-H111 PolarHBondContact O-N 3.07Å; A108-H111 CarbonylContact O-C 3.57Å; A108-H111 PolarHBondContact O-N 2.88Å; K109-H111 PolarHBondContact O-N 2.83Å; H111-H113 PolarHBondContact O-CD2 2.99Å; H111-H113 PolarHBondContact O-N 2.87Å
112K87.2Confident92.5Very high136 Ų13634.5 Ų34.559%0.59116%0.163SC*.THydrogen-bonded Turntrans62.927.6-179.7-49.5173-175.8169.90113.3A108 K109 S110A108-K112 PolarHBondContact O-N 3.5Å; K109-K112 PolarHBondContact O-N 2.76Å; S110-K112 VanDerWaalsContact C-N 3.28Å; S110-K112 PolarHBondContact O-N 3.47Å
113H88.3Confident92.6Very high23 Ų2332.2 Ų32.211%0.10616%0.159CC..  trans-92.7148.7171.5-69.1-96000110.8M1 L81 A108 H111M1-H113 PolarHBondContact N-ND1 2.81Å; M1-H113 VanDerWaalsContact N-ND1 3.13Å; M1-H113 WeakPolarHBondContact O-CA 3.47Å; M1-H113 WeakPolarHBondContact O-CB 3.16Å; M1-H113 VanDerWaalsContact O-CG 3.27Å; M1-H113 PolarHBondContact O-ND1 3.04Å; L81-H113 HydrophobicContact CD2-CB 4.39Å; L81-H113 PolarHBondContact O-CE1 2.97Å; L81-H113 VanDerWaalsContact O-CE1 3.25Å; L81-H113 PolarHBondContact O-NE2 3.33Å; A108-H113 CarbonylContact C-O 3.53Å; A108-H113 HydrophobicContact CB-CB 4.11Å; A108-H113 WeakPolarHBondContact O-CA 3.26Å; A108-H113 WeakPolarHBondContact O-CB 3.35Å; A108-H113 PolarHBondContact O-N 2.99Å; H111-H113 PolarHBondContact O-CD2 2.99Å; H111-H113 PolarHBondContact O-N 2.87Å
114Q87.7Confident92.7Very high74 Ų7430 Ų3035%0.34615%0.153SC..EExtended strand (participates in β ladder)trans-86.6145.1171.3-165.1166.5-1.800108.1M1 P2 L3 I197M1-Q114 PolarHBondContact O-N 3.27Å; P2-Q114 CarbonylContact C-O 3.57Å; P2-Q114 VanDerWaalsContact CA-O 3.23Å; P2-Q114 WeakPolarHBondContact CA-O 3.36Å; L3-Q114 PolarHBondContact N-O 3.17Å; Q114-I197 HydrophobicContact CB-CD1 3.4Å; Q114-I197 VanDerWaalsContact CB-CD1 3.4Å; Q114-I197 HydrophobicContact CG-CD1 3.87Å
115Q92Very high92.7Very high21 Ų2135.8 Ų35.810%0.09818%0.18CC..EExtended strand (participates in β ladder)trans-104.4139.8165.7-170.1-17254.500108.9L3 L5 R101 Y105L3-Q115 HydrophobicContact CD2-CG 4.29Å; L3-Q115 HydrophobicContact CG-CG 4.38Å; L3-Q115 CarbonylContact O-C 3.58Å; L3-Q115 WeakPolarHBondContact O-CA 3.49Å; L5-Q115 HydrophobicContact CB-CG 4.4Å; R101-Q115 PolarHBondContact O-NE2 2.8Å; Y105-Q115 VanDerWaalsContact CB-OE1 3.29Å; Y105-Q115 HydrophobicContact CD2-CB 4.15Å
116I92.2Very high92.9Very high7 Ų736 Ų364%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-120.2130.7172-65.9174.2000106.5P2 L3 I4 L5 L118 L162 I185 L188P2-I116 HydrophobicContact CB-CD1 3.85Å; P2-I116 HydrophobicContact CB-CG1 4.39Å; L3-I116 PolarHBondContact O-N 3.29Å; I4-I116 HydrophobicContact CG1-CB 4.45Å; L5-I116 PolarHBondContact N-O 2.97Å; I116-L118 HydrophobicContact CG2-CD2 4.32Å; I116-L162 HydrophobicContact CD1-CD2 4.34Å; I116-L162 HydrophobicContact CG1-CD2 4.49Å; I116-L162 HydrophobicContact CG2-CB 3.77Å; I116-L162 HydrophobicContact CG2-CD2 3.47Å; I116-L162 VanDerWaalsContact CG2-CD2 3.47Å; I116-L162 HydrophobicContact CG2-CG 4.25Å; I116-I185 HydrophobicContact CD1-CG1 4.09Å; I116-L188 HydrophobicContact CD1-CD1 3.64Å; I116-L188 HydrophobicContact CG1-CD1 4.05Å
117V93.6Very high93Very high4 Ų434.4 Ų34.42%0.02417%0.173CC..EExtended strand (participates in β ladder)trans-101.5124.9175178.70000108.8L5 P152 P161 L162L5-V117 HydrophobicContact CD2-CG2 4.44Å; L5-V117 CarbonylContact O-C 3.59Å; L5-V117 WeakPolarHBondContact O-CA 3.48Å; V117-P152 HydrophobicContact CG1-CB 4.33Å; V117-P161 HydrophobicContact CG1-CB 4.44Å; V117-L162 PolarHBondContact O-N 3.45Å
118L93.8Very high93.2Very high2 Ų238.1 Ų38.11%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-108.6118.4169.4-64.2-177.3000108.2I4 L5 L6 C7 L21 I116 I163 V181I4-L118 HydrophobicContact CG2-CD1 3.46Å; I4-L118 VanDerWaalsContact CG2-CD1 3.46Å; I4-L118 HydrophobicContact CG2-CG 3.84Å; L5-L118 PolarHBondContact O-N 3.21Å; L6-L118 CarbonylContact C-O 3.54Å; L6-L118 WeakPolarHBondContact CA-O 3.39Å; L6-L118 HydrophobicContact CD1-CD1 4.3Å; L6-L118 HydrophobicContact CG-CB 4.16Å; C7-L118 PolarHBondContact N-O 2.92Å; L21-L118 HydrophobicContact CD2-CD1 3.51Å; I116-L118 HydrophobicContact CG2-CD2 4.32Å; L118-I163 HydrophobicContact CD2-CB 4.14Å; L118-V181 HydrophobicContact CD1-CG1 4.45Å; L118-V181 HydrophobicContact CD2-CG1 4.12Å
119F94.7Very high93.4Very high12 Ų1241.6 Ų41.65%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-99.3117.6-177.5178.3-147.9000110.2D121 F149 R151 P152 P161 I163 T164 I165F119-D121 HydrophobicContact CD1-CB 3.99Å; F119-D121 HydrophobicContact CE1-CB 3.5Å; F119-D121 VanDerWaalsContact CE1-CB 3.5Å; F119-D121 WeakPolarHBondContact CE1-OD2 3.49Å; F119-D121 HydrophobicContact CE2-CB 4.1Å; F119-D121 HydrophobicContact CG-CB 4.48Å; F119-D121 HydrophobicContact CZ-CB 3.54Å; F119-D121 VanDerWaalsContact CZ-OD1 3.26Å; F119-D121 WeakPolarHBondContact CZ-OD1 3.46Å; F119-D121 PolarHBondContact O-N 3.46Å; F119-F149 HydrophobicContact CD2-CZ 4.11Å; F119-F149 AromaticContact CE2-CE1 3.8Å; F119-F149 HydrophobicContact CE2-CE1 3.8Å; F119-F149 AromaticContact CE2-CZ 3.44Å; F119-F149 HydrophobicContact CE2-CZ 3.44Å; F119-F149 VanDerWaalsContact CE2-CZ 3.44Å; F119-F149 HydrophobicContact CZ-CE1 4.07Å; F119-F149 HydrophobicContact CZ-CZ 4.14Å; F119-R151 HydrophobicContact CZ-CG 4.09Å; F119-P152 HydrophobicContact CB-CG 3.85Å; F119-P152 HydrophobicContact CD1-CG 3.77Å; F119-P152 HydrophobicContact CD2-CG 4.02Å; F119-P152 HydrophobicContact CE1-CG 4.37Å; F119-P152 HydrophobicContact CG-CG 3.59Å; F119-P161 HydrophobicContact CB-CB 3.94Å; F119-I163 PolarHBondContact N-O 3.45Å; F119-T164 HydrophobicContact CD1-CG2 3.68Å; F119-T164 HydrophobicContact CE1-CG2 4.2Å; F119-T164 HydrophobicContact CG-CG2 4.35Å; F119-T164 CarbonylContact O-C 3.49Å; F119-T164 WeakPolarHBondContact O-CA 3.14Å; F119-I165 PolarHBondContact O-N 2.93Å
120S94.9Very high93.7Very high1 Ų143 Ų431%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-86.797.5169.7172.40000108.4C7 S12 I165C7-S120 PolarHBondContact O-N 3.37Å; S12-S120 WeakPolarHBondContact CB-OG 3.35Å; S12-S120 PolarHBondContact O-OG 3.08Å; S12-S120 PolarHBondContact OG-OG 2.74Å; S120-I165 CarbonylContact C-O 3.58Å; S120-I165 WeakPolarHBondContact CA-O 3.33Å
121D94.1Very high93.9Very high34 Ų3441.2 Ų41.218%0.18220%0.2CC..  trans-98.7118.1-178-158.910000109.6F119 R151 T164 I165 E166F119-D121 HydrophobicContact CD1-CB 3.99Å; F119-D121 HydrophobicContact CE1-CB 3.5Å; F119-D121 VanDerWaalsContact CE1-CB 3.5Å; F119-D121 WeakPolarHBondContact CE1-OD2 3.49Å; F119-D121 HydrophobicContact CE2-CB 4.1Å; F119-D121 HydrophobicContact CG-CB 4.48Å; F119-D121 HydrophobicContact CZ-CB 3.54Å; F119-D121 VanDerWaalsContact CZ-OD1 3.26Å; F119-D121 WeakPolarHBondContact CZ-OD1 3.46Å; F119-D121 PolarHBondContact O-N 3.46Å; D121-R151 IonicContact OD1-CZ 2.75Å; D121-R151 IonicContact OD1-NE 3.85Å; D121-R151 IonicContact OD1-NH2 3.8Å; D121-R151 PolarHBondContact OD1-NH2 3.36Å; D121-R151 IonicContact OD2-NH2 2.88Å; D121-T164 HydrophobicContact CB-CG2 3.52Å; D121-I165 PolarHBondContact N-O 3.04Å; D121-E166 HydrophobicContact CB-CG 4.4Å; D121-E166 WeakPolarHBondContact O-CA 3.16Å
122I94.9Very high94.2Very high3 Ų341.4 Ų41.42%0.01521%0.209CC..  trans-140153.117363.6165.2000108.2Y9 I126 P167 H168Y9-I122 HydrophobicContact CD2-CG1 4.08Å; Y9-I122 WeakPolarHBondContact CD2-O 3.45Å; Y9-I122 WeakPolarHBondContact CE2-O 3.4Å; I122-I126 HydrophobicContact CB-CB 4.41Å; I122-I126 HydrophobicContact CB-CG2 4.48Å; I122-I126 HydrophobicContact CD1-CB 4.21Å; I122-I126 HydrophobicContact CD1-CG2 4.08Å; I122-P167 HydrophobicContact CG2-CG 3.78Å; I122-H168 HydrophobicContact CG2-CB 4.05Å
123P96.7Very high94.5Very high48 Ų4841.9 Ų41.931%0.31221%0.211SC..  trans-60.6146.1167.6-20.932000111.6E125 I126 S127P123-E125 WeakPolarHBondContact CB-OE2 3.32Å; P123-E125 PolarHBondContact O-N 3.25Å; P123-I126 HydrophobicContact CB-CG1 4.17Å; P123-I126 HydrophobicContact CG-CG1 4.1Å; P123-I126 WeakPolarHBondContact O-CB 3.37Å; P123-I126 PolarHBondContact O-N 3.36Å; P123-S127 PolarHBondContact O-N 3.13Å
124P96.5Very high94.5Very high39 Ų3944.9 Ų44.925%0.25323%0.227SC..Hα-helixtrans-52.2-38.9176.2-27.436000113.5Y9 I126 S127 E128 I146Y9-P124 HydrophobicContact CE2-CG 3.91Å; P124-I126 PolarHBondContact O-N 2.89Å; P124-S127 WeakPolarHBondContact O-CA 3.4Å; P124-S127 VanDerWaalsContact O-CB 3.28Å; P124-S127 WeakPolarHBondContact O-CB 3.42Å; P124-S127 PolarHBondContact O-N 2.87Å; P124-E128 WeakPolarHBondContact O-CG 3.07Å; P124-E128 PolarHBondContact O-N 2.98Å; P124-I146 HydrophobicContact CB-CD1 4.38Å; P124-I146 HydrophobicContact CB-CG2 4.24Å; P124-I146 HydrophobicContact CG-CG2 4.38Å
125E97.5Very high94.5Very high120 Ų12046.1 Ų46.156%0.56124%0.243SC*.Hα-helixtrans-63.3-30.6-178.3-53.681-179.100111.6P123 N129P123-E125 WeakPolarHBondContact CB-OE2 3.32Å; P123-E125 PolarHBondContact O-N 3.25Å; E125-N129 VanDerWaalsContact O-CB 3.28Å; E125-N129 WeakPolarHBondContact O-CB 3.4Å; E125-N129 PolarHBondContact O-N 3.47Å
126I97.2Very high94.3Very high46 Ų4648.3 Ų48.324%0.23625%0.251CS..Hα-helixtrans-72.9-39.7174.6-58.7-59.5000110.7I122 P123 P124 E128 N129 W130 H168I122-I126 HydrophobicContact CB-CB 4.41Å; I122-I126 HydrophobicContact CB-CG2 4.48Å; I122-I126 HydrophobicContact CD1-CB 4.21Å; I122-I126 HydrophobicContact CD1-CG2 4.08Å; P123-I126 HydrophobicContact CB-CG1 4.17Å; P123-I126 HydrophobicContact CG-CG1 4.1Å; P123-I126 WeakPolarHBondContact O-CB 3.37Å; P123-I126 PolarHBondContact O-N 3.36Å; P124-I126 PolarHBondContact O-N 2.89Å; I126-E128 VanDerWaalsContact C-N 3.34Å; I126-N129 PolarHBondContact O-N 3.38Å; I126-W130 HydrophobicContact CG2-CD2 3.98Å; I126-W130 VanDerWaalsContact CG2-CE2 3.49Å; I126-W130 HydrophobicContact CG2-CG 4.39Å; I126-W130 HydrophobicContact CG2-CH2 4.26Å; I126-W130 HydrophobicContact CG2-CZ2 3.65Å; I126-W130 WeakPolarHBondContact O-CB 2.95Å; I126-W130 PolarHBondContact O-N 3Å; I126-H168 HydrophobicContact CG1-CB 4.41Å; I126-H168 HydrophobicContact CG2-CB 3.84Å
127S96.8Very high94.3Very high0 Ų048.4 Ų48.40%025%0.251CS..Hα-helixtrans-61.1-45.1175.41740000110.7P10 P123 P124 W130 N131P10-S127 PolarHBondContact O-OG 3.2Å; P123-S127 PolarHBondContact O-N 3.13Å; P124-S127 WeakPolarHBondContact O-CA 3.4Å; P124-S127 VanDerWaalsContact O-CB 3.28Å; P124-S127 WeakPolarHBondContact O-CB 3.42Å; P124-S127 PolarHBondContact O-N 2.87Å; S127-W130 PolarHBondContact O-N 2.98Å; S127-N131 WeakPolarHBondContact O-CB 3.39Å; S127-N131 PolarHBondContact O-N 3.38Å
128E97.4Very high94.3Very high87 Ų8751.3 Ų51.341%0.40727%0.27SS..Hα-helixtrans-61.1-48.2175.6-68.9167.4-175.200111.9P124 I126 W130 N131 S132 L142 I146P124-E128 WeakPolarHBondContact O-CG 3.07Å; P124-E128 PolarHBondContact O-N 2.98Å; I126-E128 VanDerWaalsContact C-N 3.34Å; E128-W130 VanDerWaalsContact C-N 3.32Å; E128-W130 PolarHBondContact O-N 3.22Å; E128-N131 WeakPolarHBondContact O-CB 3.47Å; E128-N131 PolarHBondContact O-N 3.31Å; E128-S132 PolarHBondContact O-N 3.15Å; E128-L142 HydrophobicContact CB-CD2 4.3Å; E128-L142 HydrophobicContact CG-CD2 3.86Å; E128-I146 HydrophobicContact CG-CD1 4.49Å
129N97.3Very high94.4Very high72 Ų7257.1 Ų57.139%0.38530%0.301SS..Hα-helixtrans-63.8-34.8176.9-179.233000112.9E125 I126 S132 K133E125-N129 VanDerWaalsContact O-CB 3.28Å; E125-N129 WeakPolarHBondContact O-CB 3.4Å; E125-N129 PolarHBondContact O-N 3.47Å; I126-N129 PolarHBondContact O-N 3.38Å; N129-S132 PolarHBondContact O-OG 2.89Å; N129-K133 WeakPolarHBondContact O-CG 3.37Å
130W96.1Very high94.4Very high68 Ų6862.5 Ų62.526%0.25833%0.33SS..Hα-helixtrans-75-35.4175.4-70.25.2000111.4I126 S127 E128 K133 I134 P167 H168I126-W130 HydrophobicContact CG2-CD2 3.98Å; I126-W130 VanDerWaalsContact CG2-CE2 3.49Å; I126-W130 HydrophobicContact CG2-CG 4.39Å; I126-W130 HydrophobicContact CG2-CH2 4.26Å; I126-W130 HydrophobicContact CG2-CZ2 3.65Å; I126-W130 WeakPolarHBondContact O-CB 2.95Å; I126-W130 PolarHBondContact O-N 3Å; S127-W130 PolarHBondContact O-N 2.98Å; E128-W130 VanDerWaalsContact C-N 3.32Å; E128-W130 PolarHBondContact O-N 3.22Å; W130-K133 PolarHBondContact O-N 3.45Å; W130-I134 WeakPolarHBondContact O-CG1 3.31Å; W130-I134 PolarHBondContact O-N 3Å; W130-P167 HydrophobicContact CH2-CB 4.22Å; W130-P167 HydrophobicContact CH2-CG 4.23Å; W130-P167 HydrophobicContact CZ3-CG 4.37Å; W130-H168 HydrophobicContact CH2-CB 4.19Å; W130-H168 HydrophobicContact CZ2-CB 4.04Å
131N95.1Very high94.5Very high2 Ų263.2 Ų63.21%0.01133%0.334CS..Hα-helixtrans-62.5-44.3173.4-174.563.5000111.7C11 S127 E128 K133 I134 S135 Y137 L142C11-N131 HydrophobicContact CB-CB 4.31Å; S127-N131 WeakPolarHBondContact O-CB 3.39Å; S127-N131 PolarHBondContact O-N 3.38Å; E128-N131 WeakPolarHBondContact O-CB 3.47Å; E128-N131 PolarHBondContact O-N 3.31Å; N131-K133 PolarHBondContact O-N 2.91Å; N131-I134 CarbonylContact O-C 3.5Å; N131-I134 WeakPolarHBondContact O-CG1 2.93Å; N131-I134 PolarHBondContact O-N 3.15Å; N131-I134 VanDerWaalsContact O-N 3.1Å; N131-S135 WeakPolarHBondContact O-CA 3.22Å; N131-S135 PolarHBondContact O-N 3.21Å; N131-Y137 PolarHBondContact ND2-O 3.37Å; N131-Y137 PolarHBondContact OD1-N 3.43Å; N131-L142 HydrophobicContact CB-CD2 3.59Å
132S94.1Very high94.6Very high70 Ų7061.7 Ų61.749%0.4933%0.326SS..Hα-helixtrans-63-27.2-179.569.90000113.6E128 N129E128-S132 PolarHBondContact O-N 3.15Å; N129-S132 PolarHBondContact O-OG 2.89Å
133K93.3Very high94.7Very high146 Ų14664.8 Ų64.864%0.63535%0.347SS*.Hα-helixtrans-76-30175.8-69174.3-173.2-179.90113.5N129 W130 N131N129-K133 WeakPolarHBondContact O-CG 3.37Å; W130-K133 PolarHBondContact O-N 3.45Å; N131-K133 PolarHBondContact O-N 2.91Å
134I88.5Confident94.7Very high86 Ų8665.6 Ų65.644%0.44135%0.349SS..Hα-helixtrans-105.8-7.9-17867.6177.3000112.9W130 N131 R136W130-I134 WeakPolarHBondContact O-CG1 3.31Å; W130-I134 PolarHBondContact O-N 3Å; N131-I134 CarbonylContact O-C 3.5Å; N131-I134 WeakPolarHBondContact O-CG1 2.93Å; N131-I134 PolarHBondContact O-N 3.15Å; N131-I134 VanDerWaalsContact O-N 3.1Å; I134-R136 HydrophobicContact CD1-CB 3.81Å; I134-R136 HydrophobicContact CG1-CB 3.83Å; I134-R136 PolarHBondContact O-N 3.49Å
135S87.9Confident94.6Very high100 Ų10063.8 Ų63.870%0.69934%0.337SS*.THydrogen-bonded Turntrans44.445-177.4-58.30000113.6N131N131-S135 WeakPolarHBondContact O-CA 3.22Å; N131-S135 PolarHBondContact O-N 3.21Å
136R88Confident94.6Very high68 Ų6859 Ų5926%0.25732%0.316SS..  trans-80.4-50.6-172.1179.7178.8-63.3175.41.3112.9R56 C57 I134R56-R136 VanDerWaalsContact NH2-CD 3.33Å; C57-R136 PolarHBondContact SG-O 3Å; I134-R136 HydrophobicContact CD1-CB 3.81Å; I134-R136 HydrophobicContact CG1-CB 3.83Å; I134-R136 PolarHBondContact O-N 3.49Å
137Y92.1Very high94.5Very high9 Ų960.1 Ų60.14%0.03534%0.338CS..SBendtrans-114.4142.9-178.4-61.3-67.3000110.3P10 R56 Y60 N131 L141 L142 M145P10-Y137 HydrophobicContact CB-CD2 4.07Å; P10-Y137 HydrophobicContact CB-CE2 3.7Å; R56-Y137 HydrophobicContact CB-CE1 3.86Å; Y60-Y137 AromaticContact CD2-CE1 3.93Å; Y60-Y137 HydrophobicContact CD2-CE1 3.93Å; N131-Y137 PolarHBondContact ND2-O 3.37Å; N131-Y137 PolarHBondContact OD1-N 3.43Å; Y137-L141 HydrophobicContact CD1-CD2 4.07Å; Y137-L142 HydrophobicContact CD2-CD1 4.26Å; Y137-M145 HydrophobicContact CD1-SD 4.3Å; Y137-M145 HydrophobicContact CE1-SD 4.18Å
138P93.9Very high94.4Very high65 Ų6564 Ų6442%0.42235%0.353SS..  trans-54.5145.4161.4-25.536.1000111.3D140 L141 L142P138-D140 VanDerWaalsContact C-N 3.31Å; P138-D140 WeakPolarHBondContact CB-OD1 3.32Å; P138-D140 PolarHBondContact O-N 2.87Å; P138-L141 HydrophobicContact CB-CB 4.27Å; P138-L141 PolarHBondContact O-N 3.47Å; P138-L142 PolarHBondContact O-N 3.35Å
139D95.1Very high94.3Very high123 Ų12360.9 Ų60.966%0.65834%0.338SS*.Hα-helixtrans-62.1-37.4-173.3-67.5-24.2000112.8L142 S143D139-L142 PolarHBondContact O-N 2.78Å; D139-S143 WeakPolarHBondContact O-CB 3.43Å; D139-S143 PolarHBondContact O-N 3.27Å
140D96Very high94.3Very high125 Ų12561.6 Ų61.667%0.66834%0.339SS*.Hα-helixtrans-64.9-44.7175.560.6-34.1000111.7P138 S143 D144P138-D140 VanDerWaalsContact C-N 3.31Å; P138-D140 WeakPolarHBondContact CB-OD1 3.32Å; P138-D140 PolarHBondContact O-N 2.87Å; D140-S143 PolarHBondContact O-N 2.72Å; D140-D144 WeakPolarHBondContact O-CB 3.32Å; D140-D144 PolarHBondContact O-N 3.36Å
141L95.8Very high94.2Very high16 Ų1664.5 Ų64.58%0.08435%0.35CS..Hα-helixtrans-64.9-42.5175.2-179.860.4000111.6C57 A61 Y137 P138 D144 M145C57-L141 HydrophobicContact CB-CD2 4.17Å; C57-L141 WeakPolarHBondContact O-CD2 3.3Å; A61-L141 HydrophobicContact CB-CD1 4.21Å; A61-L141 HydrophobicContact CB-CD2 4.46Å; Y137-L141 HydrophobicContact CD1-CD2 4.07Å; P138-L141 HydrophobicContact CB-CB 4.27Å; P138-L141 PolarHBondContact O-N 3.47Å; L141-D144 PolarHBondContact O-N 3.37Å; L141-M145 HydrophobicContact CD1-CG 4.3Å; L141-M145 HydrophobicContact CG-CG 4.47Å; L141-M145 HydrophobicContact CG-SD 4.35Å; L141-M145 VanDerWaalsContact O-CG 3.28Å; L141-M145 WeakPolarHBondContact O-CG 3.4Å; L141-M145 PolarHBondContact O-N 3.26Å
142L96.3Very high94.2Very high2 Ų265.1 Ų65.11%0.0135%0.354CS..Hα-helixtrans-60.9-47.1177.1-179.768000111.1P10 E128 N131 Y137 P138 D139 D144 M145 I146P10-L142 HydrophobicContact CB-CD1 3.67Å; P10-L142 HydrophobicContact CG-CD1 4.01Å; E128-L142 HydrophobicContact CB-CD2 4.3Å; E128-L142 HydrophobicContact CG-CD2 3.86Å; N131-L142 HydrophobicContact CB-CD2 3.59Å; Y137-L142 HydrophobicContact CD2-CD1 4.26Å; P138-L142 PolarHBondContact O-N 3.35Å; D139-L142 PolarHBondContact O-N 2.78Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-D144 PolarHBondContact O-N 2.9Å; L142-M145 PolarHBondContact O-N 3.38Å; L142-I146 HydrophobicContact CD1-CD1 4.27Å; L142-I146 HydrophobicContact CD1-CG1 4.5Å; L142-I146 HydrophobicContact CG-CD1 3.98Å; L142-I146 WeakPolarHBondContact O-CG1 3.43Å; L142-I146 PolarHBondContact O-N 2.89Å
143S96.9Very high94.1Very high68 Ų6866.2 Ų66.248%0.47635%0.352SS..Hα-helixtrans-60-43.8179.2-169.40000111.4D139 D140 I146 G147D139-S143 WeakPolarHBondContact O-CB 3.43Å; D139-S143 PolarHBondContact O-N 3.27Å; D140-S143 PolarHBondContact O-N 2.72Å; S143-I146 PolarHBondContact O-N 2.85Å; S143-G147 PolarHBondContact O-N 3.33Å
144D96.2Very high93.9Very high66 Ų6663.4 Ų63.435%0.35335%0.351SS..Hα-helixtrans-63.2-45.7174.9163.170.1000112.1D140 L141 L142 I146 G147 R148D140-D144 WeakPolarHBondContact O-CB 3.32Å; D140-D144 PolarHBondContact O-N 3.36Å; L141-D144 PolarHBondContact O-N 3.37Å; L142-D144 VanDerWaalsContact C-N 3.33Å; L142-D144 PolarHBondContact O-N 2.9Å; D144-I146 VanDerWaalsContact C-N 3.32Å; D144-I146 PolarHBondContact O-N 3.45Å; D144-G147 PolarHBondContact O-N 2.81Å; D144-G147 VanDerWaalsContact O-N 3.11Å; D144-R148 VanDerWaalsContact CG-NE 3.33Å; D144-R148 VanDerWaalsContact O-CG 3.29Å; D144-R148 WeakPolarHBondContact O-CG 3.35Å; D144-R148 PolarHBondContact O-N 3.25Å; D144-R148 IonicContact OD1-CZ 3.81Å; D144-R148 IonicContact OD1-NE 3.89Å; D144-R148 PolarHBondContact OD1-NE 3.26Å; D144-R148 IonicContact OD1-NH2 3.27Å; D144-R148 PolarHBondContact OD1-NH2 3.33Å; D144-R148 IonicContact OD2-CZ 3.42Å; D144-R148 IonicContact OD2-NE 2.69Å; D144-R148 PolarHBondContact OD2-NE 2.79Å; D144-R148 IonicContact OD2-NH1 2.69Å; D144-R148 IonicContact OD2-NH2 2.72Å; D144-R148 PolarHBondContact OD2-NH2 3.43Å
145M95.7Very high93.9Very high0 Ų064.9 Ų64.90%036%0.364CS..Hα-helixtrans-60.4-39.2175.1-70.8-178.480.100113P10 Y60 Y96 Y137 L141 L142 R148P10-M145 HydrophobicContact CB-CE 4.29Å; P10-M145 HydrophobicContact CB-SD 4.43Å; P10-M145 HydrophobicContact CG-CB 3.64Å; P10-M145 HydrophobicContact CG-CE 3.56Å; P10-M145 HydrophobicContact CG-CG 4.36Å; P10-M145 HydrophobicContact CG-SD 3.8Å; Y60-M145 HydrophobicContact CD1-CE 3.52Å; Y60-M145 HydrophobicContact CD1-SD 4.47Å; Y60-M145 HydrophobicContact CD2-CE 3.48Å; Y60-M145 VanDerWaalsContact CD2-CE 3.48Å; Y60-M145 HydrophobicContact CD2-SD 4.05Å; Y60-M145 HydrophobicContact CE1-CE 3.83Å; Y60-M145 HydrophobicContact CE2-CE 3.79Å; Y60-M145 HydrophobicContact CG-CE 3.35Å; Y60-M145 HydrophobicContact CG-SD 3.85Å; Y96-M145 HydrophobicContact CE1-CE 4.26Å; Y137-M145 HydrophobicContact CD1-SD 4.3Å; Y137-M145 HydrophobicContact CE1-SD 4.18Å; L141-M145 HydrophobicContact CD1-CG 4.3Å; L141-M145 HydrophobicContact CG-CG 4.47Å; L141-M145 HydrophobicContact CG-SD 4.35Å; L141-M145 VanDerWaalsContact O-CG 3.28Å; L141-M145 WeakPolarHBondContact O-CG 3.4Å; L141-M145 PolarHBondContact O-N 3.26Å; L142-M145 PolarHBondContact O-N 3.38Å; M145-R148 PolarHBondContact O-N 2.85Å
146I96.7Very high93.9Very high21 Ų2161.9 Ų61.911%0.10834%0.339CS..Hα-helixtrans-64.8-44.1173.6-71.2172.2000110Y9 P124 E128 L142 S143 D144 R148 F149Y9-I146 HydrophobicContact CD1-CB 4.43Å; Y9-I146 HydrophobicContact CD1-CG1 4.16Å; Y9-I146 HydrophobicContact CD1-CG2 4.17Å; Y9-I146 HydrophobicContact CE1-CG2 3.91Å; Y9-I146 HydrophobicContact CG-CG1 4.19Å; P124-I146 HydrophobicContact CB-CD1 4.38Å; P124-I146 HydrophobicContact CB-CG2 4.24Å; P124-I146 HydrophobicContact CG-CG2 4.38Å; E128-I146 HydrophobicContact CG-CD1 4.49Å; L142-I146 HydrophobicContact CD1-CD1 4.27Å; L142-I146 HydrophobicContact CD1-CG1 4.5Å; L142-I146 HydrophobicContact CG-CD1 3.98Å; L142-I146 WeakPolarHBondContact O-CG1 3.43Å; L142-I146 PolarHBondContact O-N 2.89Å; S143-I146 PolarHBondContact O-N 2.85Å; D144-I146 VanDerWaalsContact C-N 3.32Å; D144-I146 PolarHBondContact O-N 3.45Å; I146-R148 PolarHBondContact O-N 2.77Å; I146-F149 VanDerWaalsContact O-CB 3.26Å; I146-F149 WeakPolarHBondContact O-CB 3.5Å; I146-F149 PolarHBondContact O-N 3.49Å
147G96Very high93.8Very high69 Ų6969.7 Ų69.771%0.71137%0.368SS*.Hα-helixtrans-61.4-28.4178.200000114S143 D144 F149S143-G147 PolarHBondContact O-N 3.33Å; D144-G147 PolarHBondContact O-N 2.81Å; D144-G147 VanDerWaalsContact O-N 3.11Å; G147-F149 VanDerWaalsContact C-N 3.32Å
148R94.5Very high93.6Very high80 Ų8071.8 Ų71.830%0.30238%0.376SS..THydrogen-bonded Turntrans-78.9-9.8175-62.9167.1-170.7-171.93.6113.9Y60 E66 Y96 D144 M145 I146 E150Y60-R148 PolarHBondContact O-NH1 3.24Å; E66-R148 IonicContact OE2-NH1 2.74Å; E66-R148 PolarHBondContact OE2-NH1 2.86Å; Y96-R148 HydrophobicContact CD2-CB 3.84Å; Y96-R148 HydrophobicContact CE2-CB 3.47Å; Y96-R148 VanDerWaalsContact CE2-CB 3.47Å; Y96-R148 HydrophobicContact CE2-CG 4.33Å; Y96-R148 PolarHBondContact OH-NH1 3.03Å; D144-R148 VanDerWaalsContact CG-NE 3.33Å; D144-R148 VanDerWaalsContact O-CG 3.29Å; D144-R148 WeakPolarHBondContact O-CG 3.35Å; D144-R148 PolarHBondContact O-N 3.25Å; D144-R148 IonicContact OD1-CZ 3.81Å; D144-R148 IonicContact OD1-NE 3.89Å; D144-R148 PolarHBondContact OD1-NE 3.26Å; D144-R148 IonicContact OD1-NH2 3.27Å; D144-R148 PolarHBondContact OD1-NH2 3.33Å; D144-R148 IonicContact OD2-CZ 3.42Å; D144-R148 IonicContact OD2-NE 2.69Å; D144-R148 PolarHBondContact OD2-NE 2.79Å; D144-R148 IonicContact OD2-NH1 2.69Å; D144-R148 IonicContact OD2-NH2 2.72Å; D144-R148 PolarHBondContact OD2-NH2 3.43Å; M145-R148 PolarHBondContact O-N 2.85Å; I146-R148 PolarHBondContact O-N 2.77Å; R148-E150 PolarHBondContact O-N 2.81Å
149F95.8Very high93.5Very high23 Ų2368.7 Ų68.710%0.10136%0.356CS..  trans-73.7120.1-172-179.4-99.4000113G8 Y9 F119 I146 G147 R151G8-F149 VanDerWaalsContact CA-CE2 3.46Å; Y9-F149 HydrophobicContact CD1-CB 3.78Å; Y9-F149 AromaticContact CD1-CD1 3.81Å; Y9-F149 HydrophobicContact CD1-CD1 3.81Å; Y9-F149 HydrophobicContact CD1-CD2 4.12Å; Y9-F149 HydrophobicContact CD1-CE1 4.44Å; Y9-F149 AromaticContact CD1-CG 3.64Å; Y9-F149 HydrophobicContact CD1-CG 3.64Å; Y9-F149 HydrophobicContact CE1-CB 3.61Å; Y9-F149 AromaticContact CE1-CD1 3.28Å; Y9-F149 HydrophobicContact CE1-CD1 3.28Å; Y9-F149 HydrophobicContact CE1-CD2 4.4Å; Y9-F149 HydrophobicContact CE1-CE1 4.04Å; Y9-F149 AromaticContact CE1-CG 3.51Å; Y9-F149 HydrophobicContact CE1-CG 3.51Å; F119-F149 HydrophobicContact CD2-CZ 4.11Å; F119-F149 AromaticContact CE2-CE1 3.8Å; F119-F149 HydrophobicContact CE2-CE1 3.8Å; F119-F149 AromaticContact CE2-CZ 3.44Å; F119-F149 HydrophobicContact CE2-CZ 3.44Å; F119-F149 VanDerWaalsContact CE2-CZ 3.44Å; F119-F149 HydrophobicContact CZ-CE1 4.07Å; F119-F149 HydrophobicContact CZ-CZ 4.14Å; I146-F149 VanDerWaalsContact O-CB 3.26Å; I146-F149 WeakPolarHBondContact O-CB 3.5Å; I146-F149 PolarHBondContact O-N 3.49Å; G147-F149 VanDerWaalsContact C-N 3.32Å; F149-R151 HydrophobicContact CD1-CG 4.06Å; F149-R151 HydrophobicContact CE1-CB 4.23Å; F149-R151 HydrophobicContact CE1-CG 3.48Å; F149-R151 VanDerWaalsContact CE1-CG 3.48Å; F149-R151 HydrophobicContact CZ-CG 4.46Å
150E96.1Very high93.4Very high87 Ų8766.5 Ų66.541%0.40734%0.344SS..  trans-100.6105.4173.7-63.4178.9112.300109.9Y96 K98 R101 R148Y96-E150 PolarHBondContact O-N 2.85Å; K98-E150 HydrophobicContact CB-CB 4.16Å; K98-E150 WeakPolarHBondContact CB-OE2 3.28Å; K98-E150 PolarHBondContact N-OE2 2.88Å; R101-E150 PolarHBondContact NH1-O 3.3Å; R101-E150 PolarHBondContact NH2-O 3.48Å; R148-E150 PolarHBondContact O-N 2.81Å
151R95.3Very high93.1Very high128 Ų12861.5 Ų61.548%0.48332%0.319SS..  trans-50.5136.9177.3-86.6180160152.8-5.1111.9F119 D121 F149F119-R151 HydrophobicContact CZ-CG 4.09Å; D121-R151 IonicContact OD1-CZ 2.75Å; D121-R151 IonicContact OD1-NE 3.85Å; D121-R151 IonicContact OD1-NH2 3.8Å; D121-R151 PolarHBondContact OD1-NH2 3.36Å; D121-R151 IonicContact OD2-NH2 2.88Å; F149-R151 HydrophobicContact CD1-CG 4.06Å; F149-R151 HydrophobicContact CE1-CB 4.23Å; F149-R151 HydrophobicContact CE1-CG 3.48Å; F149-R151 VanDerWaalsContact CE1-CG 3.48Å; F149-R151 HydrophobicContact CZ-CG 4.46Å
152P95.1Very high92.6Very high16 Ų1663.4 Ų63.410%0.10433%0.329CS..  trans-61.9137.4177.626-33.1000111.2V117 F119 D159 P161V117-P152 HydrophobicContact CG1-CB 4.33Å; F119-P152 HydrophobicContact CB-CG 3.85Å; F119-P152 HydrophobicContact CD1-CG 3.77Å; F119-P152 HydrophobicContact CD2-CG 4.02Å; F119-P152 HydrophobicContact CE1-CG 4.37Å; F119-P152 HydrophobicContact CG-CG 3.59Å; P152-D159 WeakPolarHBondContact CA-OD2 3.35Å; P152-D159 VanDerWaalsContact CB-O 3.3Å; P152-D159 WeakPolarHBondContact CB-O 3.44Å; P152-P161 HydrophobicContact CB-CG 4.46Å; P152-P161 HydrophobicContact CG-CB 4.38Å; P152-P161 HydrophobicContact CG-CG 4.29Å
153Q91Very high92.1Very high93 Ų9364.5 Ų64.544%0.43533%0.334SS..  trans-102.4115.2-168.7-68.6-97.6-43.200111.6T155 Q156 D159 N160Q153-T155 PolarHBondContact O-N 3.22Å; Q153-Q156 HydrophobicContact CB-CB 4.38Å; Q153-Q156 HydrophobicContact CB-CG 4.32Å; Q153-Q156 VanDerWaalsContact CB-NE2 3.29Å; Q153-Q156 PolarHBondContact O-N 2.89Å; Q153-D159 PolarHBondContact N-O 2.94Å; Q153-D159 PolarHBondContact N-OD2 3.11Å; Q153-D159 VanDerWaalsContact N-OD2 3.07Å; Q153-D159 CarbonylContact O-C 3.53Å; Q153-N160 PolarHBondContact O-N 2.94Å
154S88.2Confident91.7Very high87 Ų8764.5 Ų64.561%0.60833%0.331SS*.THydrogen-bonded Turntrans-64.4-25.2-178.959.30000114.5Q156 N160S154-Q156 PolarHBondContact O-N 3.23Å; S154-N160 VanDerWaalsContact CA-OD1 3.22Å; S154-N160 WeakPolarHBondContact CA-OD1 3.44Å; S154-N160 WeakPolarHBondContact CB-OD1 3.37Å
155T89Confident91.4Very high117 Ų11761.7 Ų61.772%0.71832%0.316SS*.THydrogen-bonded Turntrans-68.3-21175.555.80000113Q153Q153-T155 PolarHBondContact O-N 3.22Å
156Q88.3Confident91.1Very high37 Ų3765.9 Ų65.917%0.17334%0.336CS..SBendtrans-101.5111.1-178.2-69.6169.664.300109.1Q153 S154 W158 D159 N160Q153-Q156 HydrophobicContact CB-CB 4.38Å; Q153-Q156 HydrophobicContact CB-CG 4.32Å; Q153-Q156 VanDerWaalsContact CB-NE2 3.29Å; Q153-Q156 PolarHBondContact O-N 2.89Å; S154-Q156 PolarHBondContact O-N 3.23Å; Q156-W158 PolarHBondContact O-N 3.03Å; Q156-D159 HydrophobicContact CB-CB 3.9Å; Q156-D159 CarbonylContact O-C 3.53Å; Q156-D159 PolarHBondContact O-N 3.34Å; Q156-N160 WeakPolarHBondContact O-CB 3.46Å; Q156-N160 PolarHBondContact O-N 2.83Å
157R85.9Confident90.8Very high232 Ų23265.5 Ų65.588%0.87534%0.335SS*.THydrogen-bonded Turntrans-49.1-37-177.2179.8-178.3172.2-169.70.3114.3
158W87.8Confident90.6Very high52 Ų5264.8 Ų64.820%0.19731%0.313CS..THydrogen-bonded Turntrans-83-19.1-178.558.8-98.3000113.6K98 Y102 Y105 Q156K98-W158 HydrophobicContact CD-CH2 4.32Å; K98-W158 HydrophobicContact CG-CH2 3.67Å; K98-W158 HydrophobicContact CG-CZ3 4.35Å; Y102-W158 AromaticContact CD2-CD2 3.61Å; Y102-W158 HydrophobicContact CD2-CD2 3.61Å; Y102-W158 AromaticContact CD2-CE2 3.5Å; Y102-W158 AromaticContact CD2-CE3 3.84Å; Y102-W158 HydrophobicContact CD2-CE3 3.84Å; Y102-W158 HydrophobicContact CD2-CG 4.18Å; Y102-W158 AromaticContact CD2-CH2 3.91Å; Y102-W158 HydrophobicContact CD2-CH2 3.91Å; Y102-W158 AromaticContact CD2-CZ2 3.64Å; Y102-W158 HydrophobicContact CD2-CZ2 3.64Å; Y102-W158 HydrophobicContact CD2-CZ3 4.01Å; Y102-W158 HydrophobicContact CE2-CD2 4.23Å; Y102-W158 AromaticContact CE2-CE2 3.97Å; Y102-W158 HydrophobicContact CE2-CG 4.39Å; Y102-W158 HydrophobicContact CE2-CZ2 4.35Å; Y102-W158 AromaticContact CE2-NE1 4Å; Y102-W158 HydrophobicContact CG-CH2 4.15Å; Y102-W158 HydrophobicContact CG-CZ2 4.21Å; Y102-W158 HydrophobicContact CG-CZ3 4.33Å; Y105-W158 HydrophobicContact CD1-CB 3.74Å; Y105-W158 HydrophobicContact CD1-CG 4.27Å; Y105-W158 HydrophobicContact CD2-CB 3.66Å; Y105-W158 HydrophobicContact CE1-CB 3.74Å; Y105-W158 HydrophobicContact CE1-CG 4.38Å; Y105-W158 HydrophobicContact CE2-CB 3.67Å; Y105-W158 HydrophobicContact CG-CB 3.7Å; Q156-W158 PolarHBondContact O-N 3.03Å
159D92.6Very high90.3Very high0 Ų065.9 Ų65.90%032%0.324CS..THydrogen-bonded Turntrans-109.5-3.9-179.4-15236.9000112.8R101 P152 Q153 Q156 P161R101-D159 IonicContact CZ-OD1 3.78Å; R101-D159 IonicContact CZ-OD2 2.9Å; R101-D159 IonicContact NE-OD1 3.04Å; R101-D159 PolarHBondContact NE-OD1 2.96Å; R101-D159 IonicContact NE-OD2 2.58Å; R101-D159 IonicContact NH2-OD1 2.89Å; R101-D159 PolarHBondContact NH2-OD1 3.4Å; R101-D159 IonicContact NH2-OD2 3.39Å; R101-D159 PolarHBondContact NH2-OD2 2.86Å; P152-D159 WeakPolarHBondContact CA-OD2 3.35Å; P152-D159 VanDerWaalsContact CB-O 3.3Å; P152-D159 WeakPolarHBondContact CB-O 3.44Å; Q153-D159 PolarHBondContact N-O 2.94Å; Q153-D159 PolarHBondContact N-OD2 3.11Å; Q153-D159 VanDerWaalsContact N-OD2 3.07Å; Q153-D159 CarbonylContact O-C 3.53Å; Q156-D159 HydrophobicContact CB-CB 3.9Å; Q156-D159 CarbonylContact O-C 3.53Å; Q156-D159 PolarHBondContact O-N 3.34Å; D159-P161 WeakPolarHBondContact O-CD 3.35Å
160N91.3Very high89.7Confident77 Ų7767.8 Ų67.841%0.41233%0.33SS..  trans-66.4117.6-179-178.533.3000109.4Q153 S154 Q156 L162Q153-N160 PolarHBondContact O-N 2.94Å; S154-N160 VanDerWaalsContact CA-OD1 3.22Å; S154-N160 WeakPolarHBondContact CA-OD1 3.44Å; S154-N160 WeakPolarHBondContact CB-OD1 3.37Å; Q156-N160 WeakPolarHBondContact O-CB 3.46Å; Q156-N160 PolarHBondContact O-N 2.83Å; N160-L162 PolarHBondContact O-N 3.36Å
161P90.6Very high88.8Confident21 Ų2168.7 Ų68.714%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-61.9128.5177.126.4-31.5000108.9V117 F119 P152 D159 I163V117-P161 HydrophobicContact CG1-CB 4.44Å; F119-P161 HydrophobicContact CB-CB 3.94Å; P152-P161 HydrophobicContact CB-CG 4.46Å; P152-P161 HydrophobicContact CG-CB 4.38Å; P152-P161 HydrophobicContact CG-CG 4.29Å; D159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-I163 VanDerWaalsContact C-N 3.27Å
162L85Confident87.2Confident56 Ų5668.5 Ų68.529%0.29336%0.357SS..EExtended strand (participates in β ladder)trans-63.1-45.5172.1-178.967.7000108.7I116 V117 N160 Q184 L188I116-L162 HydrophobicContact CD1-CD2 4.34Å; I116-L162 HydrophobicContact CG1-CD2 4.49Å; I116-L162 HydrophobicContact CG2-CB 3.77Å; I116-L162 HydrophobicContact CG2-CD2 3.47Å; I116-L162 VanDerWaalsContact CG2-CD2 3.47Å; I116-L162 HydrophobicContact CG2-CG 4.25Å; V117-L162 PolarHBondContact O-N 3.45Å; N160-L162 PolarHBondContact O-N 3.36Å; L162-Q184 HydrophobicContact CD2-CB 4.31Å; L162-L188 HydrophobicContact CD1-CD1 4.23Å; L162-L188 HydrophobicContact CD2-CD1 3.9Å
163I85.1Confident85.4Confident24 Ų2471.2 Ų71.212%0.12338%0.376CS..EExtended strand (participates in β ladder)trans-141.7137.5178.6-65.7170.7000109.1L118 F119 P161 I165 V181L118-I163 HydrophobicContact CD2-CB 4.14Å; F119-I163 PolarHBondContact N-O 3.45Å; P161-I163 VanDerWaalsContact C-N 3.27Å; I163-I165 HydrophobicContact CG2-CG1 3.8Å; I163-V181 HydrophobicContact CB-CG2 4.43Å; I163-V181 HydrophobicContact CD1-CB 3.66Å; I163-V181 HydrophobicContact CD1-CG1 3.99Å; I163-V181 HydrophobicContact CD1-CG2 3.27Å; I163-V181 HydrophobicContact CG1-CG2 4.4Å; I163-V181 HydrophobicContact CG2-CG2 4.09Å
164T89.8Confident84Confident68 Ų6867.4 Ų67.442%0.41736%0.359SS..EExtended strand (participates in β ladder)trans-98129165.8-57.40000108.5F119 D121F119-T164 HydrophobicContact CD1-CG2 3.68Å; F119-T164 HydrophobicContact CE1-CG2 4.2Å; F119-T164 HydrophobicContact CG-CG2 4.35Å; F119-T164 CarbonylContact O-C 3.49Å; F119-T164 WeakPolarHBondContact O-CA 3.14Å; D121-T164 HydrophobicContact CB-CG2 3.52Å
165I89.1Confident82.6Confident8 Ų867.3 Ų67.34%0.04135%0.351CS..EExtended strand (participates in β ladder)trans-119.3127.7-175.9-55.6173.5000107.6I17 F119 S120 D121 I163 P167 W170 M178I17-I165 HydrophobicContact CD1-CB 4.1Å; I17-I165 HydrophobicContact CD1-CD1 4.32Å; I17-I165 HydrophobicContact CD1-CG2 3.77Å; I17-I165 HydrophobicContact CG1-CG2 4.14Å; I17-I165 HydrophobicContact CG2-CD1 3.6Å; F119-I165 PolarHBondContact O-N 2.93Å; S120-I165 CarbonylContact C-O 3.58Å; S120-I165 WeakPolarHBondContact CA-O 3.33Å; D121-I165 PolarHBondContact N-O 3.04Å; I163-I165 HydrophobicContact CG2-CG1 3.8Å; I165-P167 VanDerWaalsContact C-CD 3.45Å; I165-P167 WeakPolarHBondContact O-CD 3.46Å; I165-W170 HydrophobicContact CG2-CH2 4.47Å; I165-W170 HydrophobicContact CG2-CZ2 3.45Å; I165-W170 VanDerWaalsContact CG2-CZ2 3.45Å; I165-M178 HydrophobicContact CD1-SD 3.92Å
166E90.8Very high81.3Confident88 Ų8867 Ų6741%0.41135%0.345SS..  trans-109.578.8179.1-65.7178.3105.700109.8D121 H168 L169D121-E166 HydrophobicContact CB-CG 4.4Å; D121-E166 WeakPolarHBondContact O-CA 3.16Å; E166-H168 PolarHBondContact O-N 3.46Å; E166-H168 IonicContact OE1-CE1 3.82Å; E166-L169 HydrophobicContact CB-CB 4.44Å; E166-L169 HydrophobicContact CB-CD1 3.92Å; E166-L169 HydrophobicContact CB-CG 4.12Å; E166-L169 HydrophobicContact CG-CD1 4.5Å; E166-L169 PolarHBondContact O-N 3.27Å
167P90.2Very high80.4Confident13 Ų1369.9 Ų69.98%0.08436%0.362CS..G310 helixtrans-64.1-17.8-173.825.7-34000113.2S12 I17 I122 W130 I165 L169 W170S12-P167 WeakPolarHBondContact O-CG 3.4Å; I17-P167 HydrophobicContact CD1-CB 4.4Å; I17-P167 HydrophobicContact CD1-CG 4.14Å; I122-P167 HydrophobicContact CG2-CG 3.78Å; W130-P167 HydrophobicContact CH2-CB 4.22Å; W130-P167 HydrophobicContact CH2-CG 4.23Å; W130-P167 HydrophobicContact CZ3-CG 4.37Å; I165-P167 VanDerWaalsContact C-CD 3.45Å; I165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-L169 PolarHBondContact O-N 2.69Å; P167-W170 HydrophobicContact CB-CD2 4.14Å; P167-W170 HydrophobicContact CB-CE3 4.33Å; P167-W170 VanDerWaalsContact O-CB 3.32Å; P167-W170 WeakPolarHBondContact O-CB 3.33Å; P167-W170 PolarHBondContact O-N 3Å
168H91Very high80.3Confident54 Ų5458.8 Ų58.825%0.2532%0.32CS..G310 helixtrans-72-18.8175.674.6-79.2000113.5I122 I126 W130 E166I122-H168 HydrophobicContact CG2-CB 4.05Å; I126-H168 HydrophobicContact CG1-CB 4.41Å; I126-H168 HydrophobicContact CG2-CB 3.84Å; W130-H168 HydrophobicContact CH2-CB 4.19Å; W130-H168 HydrophobicContact CZ2-CB 4.04Å; E166-H168 PolarHBondContact O-N 3.46Å; E166-H168 IonicContact OE1-CE1 3.82Å
169L87.8Confident80.1Confident102 Ų10260.4 Ų60.453%0.53433%0.33SS..G310 helixtrans-95.33.1176.1-57.6-179.5000112.4E166 P167 N171E166-L169 HydrophobicContact CB-CB 4.44Å; E166-L169 HydrophobicContact CB-CD1 3.92Å; E166-L169 HydrophobicContact CB-CG 4.12Å; E166-L169 HydrophobicContact CG-CD1 4.5Å; E166-L169 PolarHBondContact O-N 3.27Å; P167-L169 PolarHBondContact O-N 2.69Å; L169-N171 PolarHBondContact O-N 3.02Å
170W84.6Confident79.6Confident63 Ų6362.7 Ų62.724%0.23935%0.346CS..  trans-69.1117.8-175.2-78.56.9000111.9T16 I17 L20 I165 P167 S174 M178T16-W170 HydrophobicContact CG2-CZ3 4.27Å; I17-W170 HydrophobicContact CB-CH2 4.42Å; I17-W170 HydrophobicContact CG1-CH2 3.62Å; I17-W170 HydrophobicContact CG1-CZ2 4.05Å; I17-W170 HydrophobicContact CG1-CZ3 4.41Å; L20-W170 HydrophobicContact CD2-CH2 4.07Å; L20-W170 HydrophobicContact CD2-CZ3 4.2Å; I165-W170 HydrophobicContact CG2-CH2 4.47Å; I165-W170 HydrophobicContact CG2-CZ2 3.45Å; I165-W170 VanDerWaalsContact CG2-CZ2 3.45Å; P167-W170 HydrophobicContact CB-CD2 4.14Å; P167-W170 HydrophobicContact CB-CE3 4.33Å; P167-W170 VanDerWaalsContact O-CB 3.32Å; P167-W170 WeakPolarHBondContact O-CB 3.33Å; P167-W170 PolarHBondContact O-N 3Å; W170-S174 VanDerWaalsContact C-OG 3.24Å; W170-S174 WeakPolarHBondContact CA-OG 3.37Å; W170-S174 WeakPolarHBondContact CB-OG 3.09Å; W170-M178 HydrophobicContact CH2-CG 4.34Å; W170-M178 HydrophobicContact CH2-SD 4.34Å; W170-M178 HydrophobicContact CZ2-CG 4.19Å; W170-M178 HydrophobicContact CZ2-SD 4.11Å
171N76.7Confident79.4Confident106 Ų10659 Ų5957%0.56733%0.326SS*.  trans-107.3-171166.363.122000109.8L169 S173 S174L169-N171 PolarHBondContact O-N 3.02Å; N171-S173 PolarHBondContact O-N 2.73Å; N171-S173 WeakPolarHBondContact OD1-CB 3.28Å; N171-S173 PolarHBondContact OD1-N 2.87Å; N171-S173 PolarHBondContact OD1-OG 3.09Å; N171-S174 PolarHBondContact N-OG 3.08Å; N171-S174 WeakPolarHBondContact O-CB 3.45Å; N171-S174 PolarHBondContact O-N 2.74Å; N171-S174 VanDerWaalsContact O-N 3.07Å; N171-S174 PolarHBondContact O-OG 2.81Å
172S61.4Low79.3Confident125 Ų12558 Ų5887%0.87432%0.32SS*.THydrogen-bonded Turntrans-56.4-19.3179.8-49.80000114.4
173S57.5Low79.4Confident72 Ų7259.4 Ų59.450%0.50333%0.327SS..THydrogen-bonded Turntrans-862.4179.6-40.20000114.4N171 I175 D176N171-S173 PolarHBondContact O-N 2.73Å; N171-S173 WeakPolarHBondContact OD1-CB 3.28Å; N171-S173 PolarHBondContact OD1-N 2.87Å; N171-S173 PolarHBondContact OD1-OG 3.09Å; S173-I175 PolarHBondContact O-N 2.74Å; S173-D176 PolarHBondContact O-N 3.44Å
174S61.5Low79.5Confident13 Ų1361.3 Ų61.39%0.09134%0.335CS..THydrogen-bonded Turntrans-68-10.9-171-54.10000115.4W170 N171 D176W170-S174 VanDerWaalsContact C-OG 3.24Å; W170-S174 WeakPolarHBondContact CA-OG 3.37Å; W170-S174 WeakPolarHBondContact CB-OG 3.09Å; N171-S174 PolarHBondContact N-OG 3.08Å; N171-S174 WeakPolarHBondContact O-CB 3.45Å; N171-S174 PolarHBondContact O-N 2.74Å; N171-S174 VanDerWaalsContact O-N 3.07Å; N171-S174 PolarHBondContact O-OG 2.81Å; S174-D176 VanDerWaalsContact C-N 3.29Å
175I59.4Low79.4Confident85 Ų8558 Ų5844%0.43632%0.315SS..Hα-helixtrans-66.4-34.4175.6-62.1171.9000110.4S173 N177 M178 E179S173-I175 PolarHBondContact O-N 2.74Å; I175-N177 VanDerWaalsContact C-N 3.32Å; I175-N177 PolarHBondContact O-N 2.99Å; I175-M178 PolarHBondContact O-N 2.82Å; I175-E179 PolarHBondContact O-N 3.32Å
176D61.7Low79.3Confident110 Ų11060.2 Ų60.259%0.58832%0.324SS*.Hα-helixtrans-62.9-38.7-176.6-63.6-15.9000112S173 S174 M178 E179 S180S173-D176 PolarHBondContact O-N 3.44Å; S174-D176 VanDerWaalsContact C-N 3.29Å; D176-M178 VanDerWaalsContact C-N 3.26Å; D176-M178 PolarHBondContact O-N 2.79Å; D176-E179 PolarHBondContact O-N 3.25Å; D176-S180 PolarHBondContact O-N 3.13Å
177N68.6Low79Confident98 Ų9861.2 Ų61.252%0.52433%0.329SS..Hα-helixtrans-61.7-38.3175.6-76.7-16.9000111.1I175 S180 V181I175-N177 VanDerWaalsContact C-N 3.32Å; I175-N177 PolarHBondContact O-N 2.99Å; N177-S180 PolarHBondContact O-N 2.9Å; N177-S180 PolarHBondContact O-OG 2.81Å; N177-V181 WeakPolarHBondContact O-CG2 3.4Å; N177-V181 PolarHBondContact O-N 3.18Å
178M84.2Confident78.6Confident0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-77.4-31.5-178.9-67.6-59.8-63.100113.1I17 L20 L21 L24 I165 W170 I175 D176 S180 V181 V182I17-M178 HydrophobicContact CG2-CE 4.02Å; I17-M178 HydrophobicContact CG2-SD 4.32Å; L20-M178 HydrophobicContact CD2-CB 4.26Å; L20-M178 HydrophobicContact CD2-CG 3.64Å; L20-M178 HydrophobicContact CG-CB 4.46Å; L20-M178 HydrophobicContact CG-CG 4.18Å; L21-M178 HydrophobicContact CB-CE 3.56Å; L21-M178 HydrophobicContact CD1-CE 3.92Å; L21-M178 HydrophobicContact CG-CE 4.22Å; L24-M178 HydrophobicContact CD1-CB 3.52Å; I165-M178 HydrophobicContact CD1-SD 3.92Å; W170-M178 HydrophobicContact CH2-CG 4.34Å; W170-M178 HydrophobicContact CH2-SD 4.34Å; W170-M178 HydrophobicContact CZ2-CG 4.19Å; W170-M178 HydrophobicContact CZ2-SD 4.11Å; I175-M178 PolarHBondContact O-N 2.82Å; D176-M178 VanDerWaalsContact C-N 3.26Å; D176-M178 PolarHBondContact O-N 2.79Å; M178-S180 VanDerWaalsContact C-N 3.27Å; M178-S180 PolarHBondContact O-N 3.38Å; M178-V181 VanDerWaalsContact O-CB 3.32Å; M178-V181 WeakPolarHBondContact O-CB 3.46Å; M178-V181 PolarHBondContact O-N 2.96Å; M178-V181 HydrophobicContact SD-CG2 4.11Å; M178-V182 PolarHBondContact O-N 2.68Å; M178-V182 VanDerWaalsContact O-N 3.11Å
179E84Confident78.1Confident86 Ų8660.6 Ų60.640%0.40233%0.326SS..Hα-helixtrans-60.1-41.3170-75.3-148174.700111.4I175 D176 V181 V182 I183I175-E179 PolarHBondContact O-N 3.32Å; D176-E179 PolarHBondContact O-N 3.25Å; E179-V181 VanDerWaalsContact C-N 3.26Å; E179-V181 PolarHBondContact O-N 3.11Å; E179-V182 PolarHBondContact O-N 3.35Å; E179-V182 VanDerWaalsContact O-N 3.11Å; E179-I183 WeakPolarHBondContact O-CG1 3.37Å; E179-I183 PolarHBondContact O-N 3.11Å
180S82.2Confident77.7Confident48 Ų4861.4 Ų61.434%0.33633%0.331SS..Hα-helixtrans-60-38176.287.10000112D176 N177 M178 I183 Q184D176-S180 PolarHBondContact O-N 3.13Å; N177-S180 PolarHBondContact O-N 2.9Å; N177-S180 PolarHBondContact O-OG 2.81Å; M178-S180 VanDerWaalsContact C-N 3.27Å; M178-S180 PolarHBondContact O-N 3.38Å; S180-I183 PolarHBondContact O-N 3.11Å; S180-Q184 WeakPolarHBondContact O-CG 3.32Å; S180-Q184 PolarHBondContact O-N 3.3Å
181V85.5Confident77Confident0 Ų062.8 Ų62.80%034%0.343CS..Hα-helixtrans-60-47.2174.5-179.70000110.4L21 L118 I163 N177 M178 E179 I183 Q184 I185L21-V181 HydrophobicContact CD1-CG1 3.86Å; L118-V181 HydrophobicContact CD1-CG1 4.45Å; L118-V181 HydrophobicContact CD2-CG1 4.12Å; I163-V181 HydrophobicContact CB-CG2 4.43Å; I163-V181 HydrophobicContact CD1-CB 3.66Å; I163-V181 HydrophobicContact CD1-CG1 3.99Å; I163-V181 HydrophobicContact CD1-CG2 3.27Å; I163-V181 HydrophobicContact CG1-CG2 4.4Å; I163-V181 HydrophobicContact CG2-CG2 4.09Å; N177-V181 WeakPolarHBondContact O-CG2 3.4Å; N177-V181 PolarHBondContact O-N 3.18Å; M178-V181 VanDerWaalsContact O-CB 3.32Å; M178-V181 WeakPolarHBondContact O-CB 3.46Å; M178-V181 PolarHBondContact O-N 2.96Å; M178-V181 HydrophobicContact SD-CG2 4.11Å; E179-V181 VanDerWaalsContact C-N 3.26Å; E179-V181 PolarHBondContact O-N 3.11Å; V181-I183 PolarHBondContact O-N 3.18Å; V181-Q184 PolarHBondContact O-N 3.43Å; V181-I185 HydrophobicContact CG1-CD1 3.73Å; V181-I185 HydrophobicContact CG1-CG1 4.46Å; V181-I185 VanDerWaalsContact O-CG1 3.31Å; V181-I185 WeakPolarHBondContact O-CG1 3.15Å; V181-I185 PolarHBondContact O-N 3.33Å
182V90.1Very high76.1Confident0 Ų061.5 Ų61.50%033%0.332CS..Hα-helixtrans-65.1-40-179.9175.30000111.5L21 L24 L25 H28 M178 E179 I185 K186L21-V182 HydrophobicContact CD1-CG2 3.95Å; L24-V182 HydrophobicContact CB-CG2 3.77Å; L24-V182 HydrophobicContact CD1-CG2 4.48Å; L25-V182 HydrophobicContact CD2-CG1 4.21Å; L25-V182 HydrophobicContact CD2-CG2 4.15Å; L25-V182 HydrophobicContact CG-CG2 4.4Å; H28-V182 HydrophobicContact CB-CG1 3.79Å; M178-V182 PolarHBondContact O-N 2.68Å; M178-V182 VanDerWaalsContact O-N 3.11Å; E179-V182 PolarHBondContact O-N 3.35Å; E179-V182 VanDerWaalsContact O-N 3.11Å; V182-I185 PolarHBondContact O-N 3.18Å; V182-K186 HydrophobicContact CG1-CD 4.36Å; V182-K186 HydrophobicContact CG1-CG 4.44Å; V182-K186 WeakPolarHBondContact O-CB 3.33Å; V182-K186 WeakPolarHBondContact O-CG 3.46Å; V182-K186 PolarHBondContact O-N 3.44Å
183I87.2Confident75.2Confident85 Ų8561.6 Ų61.644%0.43633%0.332SS..Hα-helixtrans-60.9-45.4175.8-67.8167.4000110.7E179 S180 V181 K186 Q187E179-I183 WeakPolarHBondContact O-CG1 3.37Å; E179-I183 PolarHBondContact O-N 3.11Å; S180-I183 PolarHBondContact O-N 3.11Å; V181-I183 PolarHBondContact O-N 3.18Å; I183-K186 WeakPolarHBondContact O-CB 3.24Å; I183-K186 PolarHBondContact O-N 3.37Å; I183-Q187 WeakPolarHBondContact O-CG 3.33Å; I183-Q187 PolarHBondContact O-N 3.01Å
184Q85.9Confident74.7Confident63 Ų6367.2 Ų67.229%0.29435%0.347SS..Hα-helixtrans-64.3-43.2177.4-69.4-175.537.800111.9L162 S180 V181 K186 Q187 L188L162-Q184 HydrophobicContact CD2-CB 4.31Å; S180-Q184 WeakPolarHBondContact O-CG 3.32Å; S180-Q184 PolarHBondContact O-N 3.3Å; V181-Q184 PolarHBondContact O-N 3.43Å; Q184-K186 VanDerWaalsContact C-N 3.33Å; Q184-K186 PolarHBondContact O-N 2.98Å; Q184-Q187 PolarHBondContact O-N 3.47Å; Q184-L188 WeakPolarHBondContact O-CG 3.11Å; Q184-L188 PolarHBondContact O-N 3.39Å
185I87.7Confident74.2Confident0 Ų069.1 Ų69.10%037%0.369CS..Hα-helixtrans-60.3-43.3175.1-68.9166.2000110.7I4 L21 L25 I116 V181 V182 Q187 L188 L189I4-I185 HydrophobicContact CD1-CD1 3.74Å; L21-I185 HydrophobicContact CD1-CD1 4.12Å; L25-I185 HydrophobicContact CD2-CD1 4.23Å; L25-I185 HydrophobicContact CD2-CG2 4.05Å; I116-I185 HydrophobicContact CD1-CG1 4.09Å; V181-I185 HydrophobicContact CG1-CD1 3.73Å; V181-I185 HydrophobicContact CG1-CG1 4.46Å; V181-I185 VanDerWaalsContact O-CG1 3.31Å; V181-I185 WeakPolarHBondContact O-CG1 3.15Å; V181-I185 PolarHBondContact O-N 3.33Å; V182-I185 PolarHBondContact O-N 3.18Å; I185-Q187 PolarHBondContact O-N 3.33Å; I185-L188 PolarHBondContact O-N 2.58Å; I185-L189 HydrophobicContact CG2-CD1 3.84Å; I185-L189 HydrophobicContact CG2-CG 4.3Å; I185-L189 WeakPolarHBondContact O-CB 3.48Å; I185-L189 VanDerWaalsContact O-CG 3.28Å; I185-L189 WeakPolarHBondContact O-CG 3.28Å; I185-L189 PolarHBondContact O-N 3.23Å
186K87.5Confident74.3Confident53 Ų5374 Ų7423%0.2339%0.387CS..Hα-helixtrans-58.2-46.8174.5-79.7176.9178.8172.70112.1H28 L29 V182 I183 Q184 L188 L189 N190H28-K186 VanDerWaalsContact CB-CE 3.42Å; H28-K186 VanDerWaalsContact CB-NZ 3.3Å; H28-K186 PolarHBondContact ND1-NZ 3.36Å; H28-K186 WeakPolarHBondContact O-CE 3.49Å; L29-K186 HydrophobicContact CD1-CG 4.36Å; L29-K186 HydrophobicContact CD2-CG 3.93Å; L29-K186 HydrophobicContact CG-CG 4.26Å; V182-K186 HydrophobicContact CG1-CD 4.36Å; V182-K186 HydrophobicContact CG1-CG 4.44Å; V182-K186 WeakPolarHBondContact O-CB 3.33Å; V182-K186 WeakPolarHBondContact O-CG 3.46Å; V182-K186 PolarHBondContact O-N 3.44Å; I183-K186 WeakPolarHBondContact O-CB 3.24Å; I183-K186 PolarHBondContact O-N 3.37Å; Q184-K186 VanDerWaalsContact C-N 3.33Å; Q184-K186 PolarHBondContact O-N 2.98Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.04Å; K186-L189 PolarHBondContact O-N 3.11Å; K186-N190 WeakPolarHBondContact O-CB 3.38Å; K186-N190 VanDerWaalsContact O-CG 3.28Å; K186-N190 PolarHBondContact O-N 3.16Å
187Q84.1Confident74.5Confident110 Ų11071.3 Ų71.351%0.51437%0.372SS..Hα-helixtrans-60.8-43.5178.4-72.1173.5-3.300111.2I183 Q184 I185 N190 N191I183-Q187 WeakPolarHBondContact O-CG 3.33Å; I183-Q187 PolarHBondContact O-N 3.01Å; Q184-Q187 PolarHBondContact O-N 3.47Å; I185-Q187 PolarHBondContact O-N 3.33Å; Q187-N190 PolarHBondContact O-N 3.06Å; Q187-N191 VanDerWaalsContact O-CB 3.27Å; Q187-N191 WeakPolarHBondContact O-CB 3.41Å; Q187-N191 VanDerWaalsContact O-CG 3.22Å; Q187-N191 PolarHBondContact O-N 3.48Å; Q187-N191 PolarHBondContact O-ND2 3.35Å
188L82.3Confident74.3Confident47 Ų4773.5 Ų73.525%0.24638%0.379CS..Hα-helixtrans-62.3-42.3175.1-69.4175000112.1I116 L162 Q184 I185 K186 N191I116-L188 HydrophobicContact CD1-CD1 3.64Å; I116-L188 HydrophobicContact CG1-CD1 4.05Å; L162-L188 HydrophobicContact CD1-CD1 4.23Å; L162-L188 HydrophobicContact CD2-CD1 3.9Å; Q184-L188 WeakPolarHBondContact O-CG 3.11Å; Q184-L188 PolarHBondContact O-N 3.39Å; I185-L188 PolarHBondContact O-N 2.58Å; K186-L188 VanDerWaalsContact C-N 3.33Å; K186-L188 PolarHBondContact O-N 3.04Å; L188-N191 PolarHBondContact O-N 3.16Å
189L81.4Confident73.1Confident7 Ų774.3 Ų74.34%0.03738%0.384CS..Hα-helixtrans-64.9-37.7177.4-75.8171.4000113.1M1 P2 L29 Y32 I88 I185 K186 K192M1-L189 HydrophobicContact SD-CD2 4.4Å; P2-L189 HydrophobicContact CG-CD2 3.69Å; P2-L189 HydrophobicContact CG-CG 4.32Å; L29-L189 HydrophobicContact CD1-CD1 3.54Å; L29-L189 HydrophobicContact CD2-CD1 4.48Å; Y32-L189 HydrophobicContact CE1-CD2 4.26Å; I88-L189 HydrophobicContact CD1-CD1 3.92Å; I185-L189 HydrophobicContact CG2-CD1 3.84Å; I185-L189 HydrophobicContact CG2-CG 4.3Å; I185-L189 WeakPolarHBondContact O-CB 3.48Å; I185-L189 VanDerWaalsContact O-CG 3.28Å; I185-L189 WeakPolarHBondContact O-CG 3.28Å; I185-L189 PolarHBondContact O-N 3.23Å; K186-L189 PolarHBondContact O-N 3.11Å; L189-K192 VanDerWaalsContact O-CD 3.23Å; L189-K192 WeakPolarHBondContact O-CD 3.4Å; L189-K192 WeakPolarHBondContact O-CE 3.36Å; L189-K192 WeakPolarHBondContact O-CG 3.42Å
190N78.8Confident72.4Confident118 Ų11873 Ų7363%0.63138%0.38SS*.Hα-helixtrans-77.8-31.2179.4-70.5-13.7000111.9K186 Q187 K192K186-N190 WeakPolarHBondContact O-CB 3.38Å; K186-N190 VanDerWaalsContact O-CG 3.28Å; K186-N190 PolarHBondContact O-N 3.16Å; Q187-N190 PolarHBondContact O-N 3.06Å; N190-K192 PolarHBondContact O-N 3.02Å; N190-K192 VanDerWaalsContact O-N 3.08Å
191N70.4Confident71.4Confident92 Ų9279.7 Ų79.749%0.49240%0.403SS..G310 helixtrans-71.94.5177.3-78-27.4000114.6Q187 L188 C193 K194Q187-N191 VanDerWaalsContact O-CB 3.27Å; Q187-N191 WeakPolarHBondContact O-CB 3.41Å; Q187-N191 VanDerWaalsContact O-CG 3.22Å; Q187-N191 PolarHBondContact O-N 3.48Å; Q187-N191 PolarHBondContact O-ND2 3.35Å; L188-N191 PolarHBondContact O-N 3.16Å; N191-C193 PolarHBondContact O-N 2.97Å; N191-K194 PolarHBondContact O-N 3.4Å
192K56.3Low69.9Low79 Ų7985.5 Ų85.534%0.34344%0.443SS..G310 helixtrans-47.1-27.6174.5-83.6174-166.3147.90114.4M1 Y32 L189 N190 K194M1-K192 HydrophobicContact CE-CD 4.46Å; M1-K192 HydrophobicContact SD-CD 4.44Å; M1-K192 WeakPolarHBondContact SD-CE 3.33Å; M1-K192 PolarHBondContact SD-NZ 2.95Å; Y32-K192 PolarHBondContact OH-NZ 3.46Å; L189-K192 VanDerWaalsContact O-CD 3.23Å; L189-K192 WeakPolarHBondContact O-CD 3.4Å; L189-K192 WeakPolarHBondContact O-CE 3.36Å; L189-K192 WeakPolarHBondContact O-CG 3.42Å; N190-K192 PolarHBondContact O-N 3.02Å; N190-K192 VanDerWaalsContact O-N 3.08Å; K192-K194 VanDerWaalsContact C-N 3.31Å; K192-K194 PolarHBondContact O-N 3.36Å
193C43.1Very low68.1Low127 Ų12788.8 Ų88.886%0.85846%0.464SS*.G310 helixtrans-72.2-17180-63.20000114.4N191N191-C193 PolarHBondContact O-N 2.97Å
194K46.3Very low66.6Low191 Ų19189.1 Ų89.183%0.8346%0.463SS*.G310 helixtrans-96.3-5.6-172.4-71.9-172.4176.8-179.80115.7N191 K192N191-K194 PolarHBondContact O-N 3.4Å; K192-K194 VanDerWaalsContact C-N 3.31Å; K192-K194 PolarHBondContact O-N 3.36Å
195G51.4Low64.9Low53 Ų5391.8 Ų91.855%0.54649%0.486SS..  trans179.4103.2173.200000112.6I197G195-I197 PolarHBondContact O-N 2.98Å; G195-I197 VanDerWaalsContact O-N 3.17Å
196K61.8Low63.1Low188 Ų18897.5 Ų97.582%0.81752%0.521SS*.  trans-56.8121.4168.6-78179.2177.5174.90108.1Q198K196-Q198 WeakPolarHBondContact O-CG 3.48Å; K196-Q198 PolarHBondContact O-N 2.91Å
197I66.2Low61.4Low52 Ų52101 Ų10127%0.26754%0.541SS..  trans-57.9114.2172.8-66.7169000107K109 Q114 G195K109-I197 HydrophobicContact CG-CG2 3.82Å; Q114-I197 HydrophobicContact CB-CD1 3.4Å; Q114-I197 VanDerWaalsContact CB-CD1 3.4Å; Q114-I197 HydrophobicContact CG-CD1 3.87Å; G195-I197 PolarHBondContact O-N 2.98Å; G195-I197 VanDerWaalsContact O-N 3.17Å
198Q63.4Low59.6Low144 Ų144102.2 Ų102.267%0.67356%0.555SS**PPolyproline II helixtrans-90.3129.2178.7-64-157.410.400109.4K109 K196K109-Q198 WeakPolarHBondContact CE-O 3.32Å; K196-Q198 WeakPolarHBondContact O-CG 3.48Å; K196-Q198 PolarHBondContact O-N 2.91Å
199P60.8Low58.2Low17 Ų17102.6 Ų102.611%0.1156%0.562CS.*PPolyproline II helixtrans-61.2146.6172.526.6-32.3000109.3K201 Q204P199-K201 PolarHBondContact O-N 2.86Å; P199-Q204 HydrophobicContact CB-CG 4.07Å; P199-Q204 HydrophobicContact CG-CG 3.68Å; P199-Q204 PolarHBondContact O-NE2 3.26Å
200N67.7Low57Low58 Ų58105.1 Ų105.131%0.3158%0.58SS.*PPolyproline II helixtrans-56.1138.7174-73.7-15.4000108.6K109 S202 T203 Q204K109-N200 WeakPolarHBondContact CE-OD1 3.36Å; K109-N200 PolarHBondContact NZ-OD1 3.3Å; N200-S202 PolarHBondContact O-N 3.37Å; N200-S202 VanDerWaalsContact O-N 3.15Å; N200-T203 PolarHBondContact O-N 3.37Å; N200-T203 PolarHBondContact O-OG1 3.32Å; N200-Q204 PolarHBondContact O-N 3.06Å
201K60.8Low56.1Low189 Ų189104 Ų10482%0.82258%0.582SS**G310 helixtrans-54.6-37-178.7-72.1-173.6175.7-175.90112P199 T203 Q204P199-K201 PolarHBondContact O-N 2.86Å; K201-T203 VanDerWaalsContact C-N 3.25Å; K201-T203 PolarHBondContact O-N 2.54Å; K201-Q204 PolarHBondContact O-N 2.69Å
202S55.3Low56.5Low122 Ų122104.1 Ų104.185%0.85358%0.582SS**G310 helixtrans-66.8-19.3178.5-43.70000114.9N200N200-S202 PolarHBondContact O-N 3.37Å; N200-S202 VanDerWaalsContact O-N 3.15Å
203T53Low57.8Low69 Ų69101 Ų10142%0.42357%0.569SS.*G310 helixtrans-108.1-0.1-178.752.80000112.8N200 K201N200-T203 PolarHBondContact O-N 3.37Å; N200-T203 PolarHBondContact O-OG1 3.32Å; K201-T203 VanDerWaalsContact C-N 3.25Å; K201-T203 PolarHBondContact O-N 2.54Å
204Q53.9Low59.8Low93 Ų9398.4 Ų98.444%0.43555%0.546SS..SBendtrans-71.6128.5170.9-67-171.432.700107.2P199 N200 K201 T206P199-Q204 HydrophobicContact CB-CG 4.07Å; P199-Q204 HydrophobicContact CG-CG 3.68Å; P199-Q204 PolarHBondContact O-NE2 3.26Å; N200-Q204 PolarHBondContact O-N 3.06Å; K201-Q204 PolarHBondContact O-N 2.69Å; Q204-T206 PolarHBondContact O-N 2.93Å
205P51.6Low61.8Low118 Ų11895.8 Ų95.877%0.76654%0.537SS*.  trans-56.4116168.223.4-29.5000106I207P205-I207 PolarHBondContact O-N 3.34Å
206T49.6Very low63.6Low120 Ų12096.2 Ų96.274%0.73653%0.526SS*.  trans-51.5115.8165.735.40000105Q204 V208Q204-T206 PolarHBondContact O-N 2.93Å; T206-V208 PolarHBondContact O-N 3.08Å
207I50.8Low65.1Low128 Ų12887.3 Ų87.366%0.65649%0.488SS*.  trans-50.9111.9172.7-63.5168.8000104P205 S209P205-I207 PolarHBondContact O-N 3.34Å; I207-S209 PolarHBondContact O-N 3.46Å
208V45.9Very low66.4Low134 Ų13488.6 Ų88.681%0.81249%0.493SS*.  trans-64.499178.8-179.90000103.7T206 S210T206-V208 PolarHBondContact O-N 3.08Å; V208-S210 PolarHBondContact O-N 3.08Å
209S53.3Low67.9Low56 Ų5687 Ų8739%0.39249%0.485SS..  trans-48.6137.3174.758.20000107.1I207 S211 F284I207-S209 PolarHBondContact O-N 3.46Å; S209-S211 PolarHBondContact O-N 3.49Å; S209-F284 VanDerWaalsContact CB-CE1 3.43Å
210S56.2Low69.5Low59 Ų5986.3 Ų86.341%0.41348%0.48SS..  trans-49.4121.816153.30000106.1V208 N212 F213V208-S210 PolarHBondContact O-N 3.08Å; S210-N212 PolarHBondContact O-N 3.15Å; S210-F213 PolarHBondContact O-N 2.97Å; S210-F213 VanDerWaalsContact O-N 3.09Å
211S60.6Low70.9Confident94 Ų9483.5 Ų83.566%0.65747%0.466SS*.THydrogen-bonded Turntrans-50.8-16-171.151.80000113.9S209S209-S211 PolarHBondContact O-N 3.49Å
212N78.2Confident72.6Confident95 Ų9577.4 Ų77.451%0.50844%0.44SS..THydrogen-bonded Turntrans-99.1-14.1-169.6-56.9-11000113.7S210 L214 Q215 N216S210-N212 PolarHBondContact O-N 3.15Å; N212-L214 PolarHBondContact O-N 2.83Å; N212-Q215 PolarHBondContact O-N 3.08Å; N212-N216 WeakPolarHBondContact O-CB 3.47Å; N212-N216 PolarHBondContact O-N 2.7Å
213F84.6Confident74.6Confident15 Ų1574.9 Ų74.97%0.06642%0.415CS..Hα-helixtrans-59.9-47.8-174.9173.8-103.3000112.4S210 Q215 N216 L217 F284 I290 P291 I296S210-F213 PolarHBondContact O-N 2.97Å; S210-F213 VanDerWaalsContact O-N 3.09Å; F213-Q215 VanDerWaalsContact C-N 3.29Å; F213-Q215 PolarHBondContact O-N 3.46Å; F213-N216 PolarHBondContact O-N 3.01Å; F213-L217 HydrophobicContact CE1-CD1 4.41Å; F213-L217 HydrophobicContact CZ-CD1 3.93Å; F213-L217 WeakPolarHBondContact O-CB 2.97Å; F213-L217 PolarHBondContact O-N 3.33Å; F213-F284 HydrophobicContact CB-CE2 4.03Å; F213-F284 HydrophobicContact CB-CZ 4.31Å; F213-F284 AromaticContact CD1-CD2 3.32Å; F213-F284 HydrophobicContact CD1-CD2 3.32Å; F213-F284 AromaticContact CD1-CE2 3.16Å; F213-F284 HydrophobicContact CD1-CE2 3.16Å; F213-F284 HydrophobicContact CD1-CG 4.25Å; F213-F284 HydrophobicContact CD1-CZ 4.03Å; F213-F284 HydrophobicContact CD2-CE2 4.18Å; F213-F284 AromaticContact CE1-CD2 3.25Å; F213-F284 HydrophobicContact CE1-CD2 3.25Å; F213-F284 AromaticContact CE1-CE2 3.57Å; F213-F284 HydrophobicContact CE1-CE2 3.57Å; F213-F284 HydrophobicContact CE1-CG 4.21Å; F213-F284 HydrophobicContact CE2-CE2 4.47Å; F213-F284 HydrophobicContact CG-CD2 4.11Å; F213-F284 AromaticContact CG-CE2 3.5Å; F213-F284 HydrophobicContact CG-CE2 3.5Å; F213-F284 HydrophobicContact CG-CZ 4.26Å; F213-F284 AromaticContact CZ-CD2 3.97Å; F213-F284 HydrophobicContact CZ-CD2 3.97Å; F213-F284 HydrophobicContact CZ-CE2 4.2Å; F213-I290 HydrophobicContact CD2-CG2 3.39Å; F213-I290 HydrophobicContact CE2-CG2 3.78Å; F213-I290 HydrophobicContact CG-CG2 4.26Å; F213-P291 HydrophobicContact CE2-CG 3.9Å; F213-P291 HydrophobicContact CZ-CG 4.14Å; F213-I296 HydrophobicContact CE2-CD1 3.88Å
214L85Confident76.6Confident71 Ų7171.7 Ų71.737%0.37240%0.395SS..Hα-helixtrans-64.9-37.9-177.8-15282.2000111.5N212 E218 R281N212-L214 PolarHBondContact O-N 2.83Å; L214-E218 WeakPolarHBondContact O-CB 3.3Å; L214-E218 PolarHBondContact O-N 2.98Å; L214-R281 HydrophobicContact CD1-CG 3.64Å
215Q88.1Confident78.6Confident136 Ų13667.3 Ų67.364%0.63638%0.375SS*.Hα-helixtrans-66.2-43.4174.5-70.1-178.6-11.300111.2N212 F213 E218 H219N212-Q215 PolarHBondContact O-N 3.08Å; F213-Q215 VanDerWaalsContact C-N 3.29Å; F213-Q215 PolarHBondContact O-N 3.46Å; Q215-E218 PolarHBondContact O-N 3.41Å; Q215-H219 WeakPolarHBondContact O-CB 3.18Å; Q215-H219 PolarHBondContact O-N 2.9Å
216N90Very high80.7Confident62 Ų6265.5 Ų65.533%0.33236%0.358SS..Hα-helixtrans-62.2-45.4176.6-122.829.8000110.9N212 F213 E218 H219 I220 D293N212-N216 WeakPolarHBondContact O-CB 3.47Å; N212-N216 PolarHBondContact O-N 2.7Å; F213-N216 PolarHBondContact O-N 3.01Å; N216-E218 VanDerWaalsContact C-N 3.3Å; N216-E218 PolarHBondContact O-N 3.09Å; N216-H219 PolarHBondContact O-N 2.89Å; N216-I220 HydrophobicContact CB-CD1 4.3Å; N216-I220 WeakPolarHBondContact O-CB 3.3Å; N216-I220 WeakPolarHBondContact O-CD1 3.36Å; N216-I220 WeakPolarHBondContact O-CG1 3.49Å; N216-I220 PolarHBondContact O-N 2.94Å; N216-D293 PolarHBondContact ND2-OD1 3.03Å; N216-D293 PolarHBondContact ND2-OD2 3.4Å
217L92.1Very high82.8Confident1 Ų162.1 Ų62.11%0.00533%0.334CS..Hα-helixtrans-56.1-46176.2-168.987.1000111.1F213 T221 Y276 I277 Q280 I296F213-L217 HydrophobicContact CE1-CD1 4.41Å; F213-L217 HydrophobicContact CZ-CD1 3.93Å; F213-L217 WeakPolarHBondContact O-CB 2.97Å; F213-L217 PolarHBondContact O-N 3.33Å; L217-T221 WeakPolarHBondContact O-CB 2.93Å; L217-T221 WeakPolarHBondContact O-CG2 3.19Å; L217-T221 PolarHBondContact O-N 3.3Å; L217-T221 VanDerWaalsContact O-N 3.09Å; L217-T221 PolarHBondContact O-OG1 3.24Å; L217-Y276 HydrophobicContact CD1-CE1 4.31Å; L217-I277 HydrophobicContact CD2-CB 4.22Å; L217-I277 HydrophobicContact CD2-CG1 3.89Å; L217-I277 HydrophobicContact CD2-CG2 4.1Å; L217-I277 HydrophobicContact CG-CG1 4.44Å; L217-Q280 HydrophobicContact CD1-CB 4.41Å; L217-Q280 HydrophobicContact CD1-CG 4.31Å; L217-Q280 HydrophobicContact CD2-CB 3.92Å; L217-Q280 HydrophobicContact CD2-CG 4.45Å; L217-I296 HydrophobicContact CD1-CD1 4.25Å; L217-I296 HydrophobicContact CD1-CG1 4.28Å; L217-I296 HydrophobicContact CD1-CG2 3.72Å
218E93.6Very high84.8Confident79 Ų7956 Ų5637%0.36930%0.303SS..Hα-helixtrans-66.7-38.4-179.9-161.5114.2-146.700112.4L214 Q215 N216 T221 Q222 K273 I277L214-E218 WeakPolarHBondContact O-CB 3.3Å; L214-E218 PolarHBondContact O-N 2.98Å; Q215-E218 PolarHBondContact O-N 3.41Å; N216-E218 VanDerWaalsContact C-N 3.3Å; N216-E218 PolarHBondContact O-N 3.09Å; E218-T221 PolarHBondContact O-OG1 3.22Å; E218-Q222 WeakPolarHBondContact O-CB 3.25Å; E218-Q222 PolarHBondContact O-N 2.95Å; E218-K273 PolarHBondContact O-NZ 2.86Å; E218-I277 HydrophobicContact CB-CD1 4.46Å; E218-I277 HydrophobicContact CG-CD1 4.28Å
219H94.9Very high86.9Confident110 Ų11051.3 Ų51.351%0.50927%0.273SS..Hα-helixtrans-69.6-52178.3-170.7-64.1000112Q215 N216 T221 Q222 Q223Q215-H219 WeakPolarHBondContact O-CB 3.18Å; Q215-H219 PolarHBondContact O-N 2.9Å; N216-H219 PolarHBondContact O-N 2.89Å; H219-T221 PolarHBondContact O-N 3.43Å; H219-Q222 WeakPolarHBondContact O-CB 3.26Å; H219-Q222 PolarHBondContact O-N 2.98Å; H219-Q222 VanDerWaalsContact O-N 3.12Å; H219-Q223 VanDerWaalsContact CE1-CD 3.41Å; H219-Q223 PolarHBondContact CE1-OE1 3.32Å; H219-Q223 PolarHBondContact ND1-OE1 2.93Å; H219-Q223 VanDerWaalsContact ND1-OE1 3.14Å; H219-Q223 PolarHBondContact O-N 3.37Å
220I95.5Very high88.7Confident3 Ų355 Ų552%0.01528%0.284CS..Hα-helixtrans-61.7-46.3-178.7-66.1160.8000110.3N216 Q222 Q223 V224 F245 D293 I296 A297N216-I220 HydrophobicContact CB-CD1 4.3Å; N216-I220 WeakPolarHBondContact O-CB 3.3Å; N216-I220 WeakPolarHBondContact O-CD1 3.36Å; N216-I220 WeakPolarHBondContact O-CG1 3.49Å; N216-I220 PolarHBondContact O-N 2.94Å; I220-Q222 PolarHBondContact O-N 2.61Å; I220-Q223 PolarHBondContact O-N 3.07Å; I220-V224 WeakPolarHBondContact O-CG2 3.24Å; I220-V224 PolarHBondContact O-N 3.01Å; I220-V224 VanDerWaalsContact O-N 3.09Å; I220-F245 HydrophobicContact CB-CZ 4.22Å; I220-F245 HydrophobicContact CG1-CE1 4.16Å; I220-F245 HydrophobicContact CG1-CZ 3.91Å; I220-F245 HydrophobicContact CG2-CE1 4.25Å; I220-F245 HydrophobicContact CG2-CE2 4.01Å; I220-F245 HydrophobicContact CG2-CZ 3.83Å; I220-D293 HydrophobicContact CD1-CB 3.59Å; I220-D293 VanDerWaalsContact CD1-CG 3.49Å; I220-D293 WeakPolarHBondContact CD1-OD1 3.22Å; I220-D293 HydrophobicContact CG1-CB 4.42Å; I220-I296 HydrophobicContact CB-CG2 4.14Å; I220-I296 HydrophobicContact CD1-CB 4.3Å; I220-I296 HydrophobicContact CD1-CD1 3.92Å; I220-I296 HydrophobicContact CD1-CG2 4.27Å; I220-I296 HydrophobicContact CG2-CB 4.25Å; I220-I296 HydrophobicContact CG2-CG2 3.79Å; I220-A297 HydrophobicContact CG2-CB 3.76Å
221T96.1Very high90.3Very high0 Ų052.7 Ų52.70%027%0.268CS..Hα-helixtrans-63.6-31.9177.755.10000112L217 E218 H219 V225 Y276 F300L217-T221 WeakPolarHBondContact O-CB 2.93Å; L217-T221 WeakPolarHBondContact O-CG2 3.19Å; L217-T221 PolarHBondContact O-N 3.3Å; L217-T221 VanDerWaalsContact O-N 3.09Å; L217-T221 PolarHBondContact O-OG1 3.24Å; E218-T221 PolarHBondContact O-OG1 3.22Å; H219-T221 PolarHBondContact O-N 3.43Å; T221-V225 WeakPolarHBondContact O-CG2 3.45Å; T221-V225 PolarHBondContact O-N 3.35Å; T221-V225 VanDerWaalsContact O-N 3.11Å; T221-Y276 HydrophobicContact CG2-CD1 3.89Å; T221-Y276 HydrophobicContact CG2-CE1 3.98Å; T221-F300 HydrophobicContact CG2-CB 4.16Å; T221-F300 HydrophobicContact CG2-CD1 3.73Å; T221-F300 HydrophobicContact CG2-CD2 4.21Å; T221-F300 HydrophobicContact CG2-CE1 4.16Å; T221-F300 HydrophobicContact CG2-CG 3.76Å; T221-F300 WeakPolarHBondContact O-CE1 3.35Å
222Q96.6Very high91.6Very high60 Ų6049.6 Ų49.628%0.2824%0.243SC..Hα-helixtrans-66.6-45.1173.5-168.758.54700111.9E218 H219 I220 V224 V225 D226E218-Q222 WeakPolarHBondContact O-CB 3.25Å; E218-Q222 PolarHBondContact O-N 2.95Å; H219-Q222 WeakPolarHBondContact O-CB 3.26Å; H219-Q222 PolarHBondContact O-N 2.98Å; H219-Q222 VanDerWaalsContact O-N 3.12Å; I220-Q222 PolarHBondContact O-N 2.61Å; Q222-V224 PolarHBondContact O-N 2.6Å; Q222-V225 WeakPolarHBondContact O-CA 3.49Å; Q222-V225 WeakPolarHBondContact O-CB 3.35Å; Q222-V225 PolarHBondContact O-N 2.98Å; Q222-D226 PolarHBondContact NE2-OD1 3.36Å; Q222-D226 VanDerWaalsContact O-CG 3.26Å; Q222-D226 PolarHBondContact O-N 3.16Å
223Q96.4Very high91.9Very high70 Ų7051.1 Ų51.133%0.32726%0.256SS..Hα-helixtrans-60.1-36.7177.9-71.7177.1-60.300112.3H219 I220 H227 F245H219-Q223 VanDerWaalsContact CE1-CD 3.41Å; H219-Q223 PolarHBondContact CE1-OE1 3.32Å; H219-Q223 PolarHBondContact ND1-OE1 2.93Å; H219-Q223 VanDerWaalsContact ND1-OE1 3.14Å; H219-Q223 PolarHBondContact O-N 3.37Å; I220-Q223 PolarHBondContact O-N 3.07Å; Q223-H227 WeakPolarHBondContact O-CB 3.15Å; Q223-H227 PolarHBondContact O-N 2.94Å; Q223-F245 HydrophobicContact CB-CE2 4.11Å
224V96Very high92Very high1 Ų154.6 Ų54.61%0.00628%0.282CS..Hα-helixtrans-65.6-43.11731750000111.4I220 Q222 D226 H227 V228 P242 A297 F300 L301 I304I220-V224 WeakPolarHBondContact O-CG2 3.24Å; I220-V224 PolarHBondContact O-N 3.01Å; I220-V224 VanDerWaalsContact O-N 3.09Å; Q222-V224 PolarHBondContact O-N 2.6Å; V224-D226 PolarHBondContact O-N 3.24Å; V224-H227 PolarHBondContact O-N 3.27Å; V224-V228 HydrophobicContact CG1-CG2 4.48Å; V224-V228 VanDerWaalsContact O-CG2 3.3Å; V224-V228 WeakPolarHBondContact O-CG2 3.39Å; V224-V228 PolarHBondContact O-N 3.42Å; V224-P242 HydrophobicContact CG2-CG 4.26Å; V224-A297 HydrophobicContact CG2-CB 3.92Å; V224-F300 HydrophobicContact CB-CD1 3.84Å; V224-F300 HydrophobicContact CB-CE1 4.17Å; V224-F300 HydrophobicContact CG1-CD1 3.77Å; V224-F300 HydrophobicContact CG1-CE1 4.11Å; V224-F300 HydrophobicContact CG2-CD1 4.39Å; V224-L301 HydrophobicContact CG1-CD1 3.62Å; V224-I304 HydrophobicContact CG1-CD1 4.28Å
225V95.6Very high91.8Very high2 Ų254.4 Ų54.41%0.01230%0.298CS..Hα-helixtrans-59-47.9175.6167.60000111T221 Q222 H227 V228 L229 L269 K273 F300T221-V225 WeakPolarHBondContact O-CG2 3.45Å; T221-V225 PolarHBondContact O-N 3.35Å; T221-V225 VanDerWaalsContact O-N 3.11Å; Q222-V225 WeakPolarHBondContact O-CA 3.49Å; Q222-V225 WeakPolarHBondContact O-CB 3.35Å; Q222-V225 PolarHBondContact O-N 2.98Å; V225-H227 VanDerWaalsContact C-N 3.32Å; V225-H227 PolarHBondContact O-N 3.49Å; V225-V228 PolarHBondContact O-N 3.5Å; V225-L229 HydrophobicContact CG1-CD1 3.91Å; V225-L229 WeakPolarHBondContact O-CG 3.48Å; V225-L229 PolarHBondContact O-N 3.26Å; V225-L269 HydrophobicContact CG1-CB 3.95Å; V225-L269 HydrophobicContact CG1-CD1 4.15Å; V225-L269 HydrophobicContact CG2-CB 4.16Å; V225-K273 HydrophobicContact CG2-CB 4.43Å; V225-K273 HydrophobicContact CG2-CD 4.45Å; V225-F300 HydrophobicContact CG2-CE1 3.98Å; V225-F300 HydrophobicContact CG2-CZ 4.2Å
226D94.9Very high91.6Very high79 Ų7952.1 Ų52.142%0.42229%0.289SS..Hα-helixtrans-63.7-41-177.9-60.7-20.7000110.9Q222 V224 L229 Q230Q222-D226 PolarHBondContact NE2-OD1 3.36Å; Q222-D226 VanDerWaalsContact O-CG 3.26Å; Q222-D226 PolarHBondContact O-N 3.16Å; V224-D226 PolarHBondContact O-N 3.24Å; D226-L229 PolarHBondContact O-N 3.41Å; D226-Q230 WeakPolarHBondContact O-CB 3.26Å; D226-Q230 PolarHBondContact O-N 3.11Å
227H94.3Very high91.3Very high49 Ų4952.2 Ų52.223%0.22730%0.295CS..Hα-helixtrans-64-42.8176.2-168.6-58.4000112.4Q223 V224 V225 L229 Q230 S231 P242Q223-H227 WeakPolarHBondContact O-CB 3.15Å; Q223-H227 PolarHBondContact O-N 2.94Å; V224-H227 PolarHBondContact O-N 3.27Å; V225-H227 VanDerWaalsContact C-N 3.32Å; V225-H227 PolarHBondContact O-N 3.49Å; H227-L229 VanDerWaalsContact C-N 3.33Å; H227-L229 PolarHBondContact O-N 2.99Å; H227-Q230 PolarHBondContact O-N 3.1Å; H227-S231 PolarHBondContact CE1-OG 3Å; H227-S231 PolarHBondContact ND1-OG 3.45Å; H227-S231 WeakPolarHBondContact O-CB 3.45Å; H227-S231 PolarHBondContact O-N 2.8Å; H227-S231 PolarHBondContact O-OG 2.91Å; H227-S231 VanDerWaalsContact O-OG 3.08Å; H227-P242 HydrophobicContact CB-CG 3.9Å; H227-P242 VanDerWaalsContact CD2-CA 3.46Å; H227-P242 WeakPolarHBondContact CD2-CA 3.43Å
228V92.2Very high91.2Very high1 Ų154 Ų541%0.00631%0.307CS..Hα-helixtrans-61.4-43.4176.71710000111.1V224 V225 S231 Q232 V239 L255 I257 Y264 L269 L301V224-V228 HydrophobicContact CG1-CG2 4.48Å; V224-V228 VanDerWaalsContact O-CG2 3.3Å; V224-V228 WeakPolarHBondContact O-CG2 3.39Å; V224-V228 PolarHBondContact O-N 3.42Å; V225-V228 PolarHBondContact O-N 3.5Å; V228-S231 PolarHBondContact O-N 2.87Å; V228-Q232 PolarHBondContact O-N 3.07Å; V228-V239 HydrophobicContact CG2-CG1 4.05Å; V228-L255 HydrophobicContact CG1-CD2 4.02Å; V228-L255 HydrophobicContact CG2-CD2 3.92Å; V228-I257 HydrophobicContact CG1-CD1 4Å; V228-Y264 HydrophobicContact CG1-CD2 4.48Å; V228-L269 HydrophobicContact CB-CD1 4.32Å; V228-L269 HydrophobicContact CG1-CD1 3.93Å; V228-L269 HydrophobicContact CG1-CD2 4.3Å; V228-L301 HydrophobicContact CG2-CD1 3.91Å
229L91Very high91Very high35 Ų3550.2 Ų50.218%0.18329%0.29CS..Hα-helixtrans-64.4-42.7177.2-70.3168.5000112V225 D226 H227 Q232 T233 I266 L269V225-L229 HydrophobicContact CG1-CD1 3.91Å; V225-L229 WeakPolarHBondContact O-CG 3.48Å; V225-L229 PolarHBondContact O-N 3.26Å; D226-L229 PolarHBondContact O-N 3.41Å; H227-L229 VanDerWaalsContact C-N 3.33Å; H227-L229 PolarHBondContact O-N 2.99Å; L229-Q232 PolarHBondContact O-N 3.33Å; L229-T233 PolarHBondContact O-N 3.46Å; L229-T233 VanDerWaalsContact O-N 3.11Å; L229-T233 PolarHBondContact O-OG1 2.93Å; L229-I266 HydrophobicContact CD1-CD1 4.3Å; L229-I266 HydrophobicContact CD1-CG1 3.52Å; L229-I266 HydrophobicContact CD2-CG1 3.75Å; L229-I266 HydrophobicContact CG-CG1 4.3Å; L229-L269 HydrophobicContact CD1-CD1 4.43Å; L229-L269 HydrophobicContact CD2-CD1 3.77Å; L229-L269 HydrophobicContact CG-CD1 3.77Å
230Q90.8Very high90.8Very high134 Ų13448.6 Ų48.663%0.62629%0.285SS*.Hα-helixtrans-64.6-44.4178.8-169.817314.200111.5D226 H227 Q232 T233 S234D226-Q230 WeakPolarHBondContact O-CB 3.26Å; D226-Q230 PolarHBondContact O-N 3.11Å; H227-Q230 PolarHBondContact O-N 3.1Å; Q230-Q232 PolarHBondContact O-N 3.44Å; Q230-T233 PolarHBondContact O-N 2.85Å; Q230-S234 PolarHBondContact O-N 3.33Å; Q230-S234 VanDerWaalsContact O-N 3.09Å; Q230-S234 PolarHBondContact O-OG 2.81Å
231S89.9Confident90.7Very high10 Ų1048.6 Ų48.67%0.0729%0.285CS..Hα-helixtrans-66.4-35.9178.6-61.40000113.2H227 V228 T233 S234 G235 L236H227-S231 PolarHBondContact CE1-OG 3Å; H227-S231 PolarHBondContact ND1-OG 3.45Å; H227-S231 WeakPolarHBondContact O-CB 3.45Å; H227-S231 PolarHBondContact O-N 2.8Å; H227-S231 PolarHBondContact O-OG 2.91Å; H227-S231 VanDerWaalsContact O-OG 3.08Å; V228-S231 PolarHBondContact O-N 2.87Å; S231-T233 VanDerWaalsContact C-N 3.34Å; S231-S234 PolarHBondContact O-N 2.85Å; S231-G235 PolarHBondContact O-N 2.82Å; S231-L236 PolarHBondContact O-N 2.83Å
232Q87.3Confident90.4Very high29 Ų2949 Ų4914%0.13629%0.287CS..Hα-helixtrans-60.2-44.2170.7-89.2-174.9150.200111.9V228 L229 Q230 S234 G235 I257 Y264V228-Q232 PolarHBondContact O-N 3.07Å; L229-Q232 PolarHBondContact O-N 3.33Å; Q230-Q232 PolarHBondContact O-N 3.44Å; Q232-S234 PolarHBondContact O-N 3.42Å; Q232-G235 PolarHBondContact O-N 2.82Å; Q232-I257 HydrophobicContact CG-CD1 3.93Å; Q232-I257 HydrophobicContact CG-CG2 3.74Å; Q232-Y264 PolarHBondContact NE2-O 3.33Å
233T85.3Confident90Very high126 Ų12651.8 Ų51.877%0.77331%0.309SS*.Hα-helixtrans-64.2-30.8-179.7-48.10000111.5L229 Q230 S231 G235L229-T233 PolarHBondContact O-N 3.46Å; L229-T233 VanDerWaalsContact O-N 3.11Å; L229-T233 PolarHBondContact O-OG1 2.93Å; Q230-T233 PolarHBondContact O-N 2.85Å; S231-T233 VanDerWaalsContact C-N 3.34Å; T233-G235 VanDerWaalsContact C-N 3.26Å; T233-G235 PolarHBondContact O-N 3.34Å
234S86.5Confident89.8Confident88 Ų8852.5 Ų52.562%0.61532%0.321SS*.THydrogen-bonded Turntrans-78.7-2174.8-59.60000114.3Q230 S231 Q232Q230-S234 PolarHBondContact O-N 3.33Å; Q230-S234 VanDerWaalsContact O-N 3.09Å; Q230-S234 PolarHBondContact O-OG 2.81Å; S231-S234 PolarHBondContact O-N 2.85Å; Q232-S234 PolarHBondContact O-N 3.42Å
235G80.9Confident89.6Confident68 Ų6853.1 Ų53.170%0.70132%0.323SS*.THydrogen-bonded Turntrans73.522.8179.300000114.8S231 Q232 T233S231-G235 PolarHBondContact O-N 2.82Å; Q232-G235 PolarHBondContact O-N 2.82Å; T233-G235 VanDerWaalsContact C-N 3.26Å; T233-G235 PolarHBondContact O-N 3.34Å
236L84.1Confident89.2Confident87 Ų8757.2 Ų57.246%0.45534%0.342SS..  trans-73.7136176.4-76.3147.1000111S231 S238S231-L236 PolarHBondContact O-N 2.83Å; L236-S238 VanDerWaalsContact C-N 3.32Å
237S84.1Confident88.8Confident65 Ų6556.3 Ų56.346%0.45534%0.337SS..SBendtrans-77.8-16.7175.853.10000113.7Q256 I257S237-Q256 PolarHBondContact O-OE1 3.07Å; S237-I257 CarbonylContact O-C 3.58Å; S237-I257 VanDerWaalsContact O-C 3.27Å; S237-I257 WeakPolarHBondContact O-CA 3.29Å; S237-I257 PolarHBondContact O-N 3.19Å
238S88.6Confident88.2Confident37 Ų3761.2 Ų61.226%0.25936%0.36SS..EExtended strand (participates in β ladder)trans-145.7147.6-178.8600000110.9L236 L255L236-S238 VanDerWaalsContact C-N 3.32Å; S238-L255 CarbonylContact C-O 3.27Å; S238-L255 VanDerWaalsContact CA-O 3.31Å; S238-L255 WeakPolarHBondContact CA-O 3.45Å
239V90Very high87.6Confident1 Ų169.2 Ų69.21%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-126.6121.1-177.6178.90000110.4V228 L255 I257V228-V239 HydrophobicContact CG2-CG1 4.05Å; V239-L255 HydrophobicContact CB-CB 4.35Å; V239-L255 PolarHBondContact N-O 3.07Å; V239-L255 PolarHBondContact O-N 3.3Å; V239-I257 HydrophobicContact CB-CD1 3.95Å; V239-I257 HydrophobicContact CB-CG1 4.5Å; V239-I257 HydrophobicContact CG2-CD1 3.15Å; V239-I257 HydrophobicContact CG2-CG1 3.9Å
240D91.5Very high87.2Confident76 Ų7668.2 Ų68.241%0.40639%0.392SS..EExtended strand (participates in β ladder)trans-87175.8175.9-45.4-21000109.7
241L91.8Very high86.5Confident2 Ų270.1 Ų70.11%0.0139%0.394CS..  trans-62.7148.7170.6-80.6158.8000111.7T243 Q246 N250 V253 A297 A298 L301L241-T243 PolarHBondContact O-N 3.34Å; L241-Q246 HydrophobicContact CB-CG 4.02Å; L241-Q246 PolarHBondContact O-NE2 3.29Å; L241-N250 HydrophobicContact CD1-CB 4.12Å; L241-V253 HydrophobicContact CD1-CB 4.01Å; L241-V253 HydrophobicContact CD1-CG1 4.27Å; L241-A297 VanDerWaalsContact CD2-C 3.48Å; L241-A297 HydrophobicContact CD2-CB 3.59Å; L241-A298 HydrophobicContact CD1-CB 3.93Å; L241-L301 HydrophobicContact CD2-CB 4.4Å; L241-L301 HydrophobicContact CD2-CD2 4.47Å; L241-L301 HydrophobicContact CG-CD2 4.24Å
242P91.7Very high86.2Confident9 Ų976.6 Ų76.66%0.05843%0.428CS..  trans-52.1140167.6-22.831.6000111.1V224 H227 C244 F245 Q246V224-P242 HydrophobicContact CG2-CG 4.26Å; H227-P242 HydrophobicContact CB-CG 3.9Å; H227-P242 VanDerWaalsContact CD2-CA 3.46Å; H227-P242 WeakPolarHBondContact CD2-CA 3.43Å; P242-C244 PolarHBondContact O-N 3.21Å; P242-F245 HydrophobicContact CB-CD2 3.83Å; P242-F245 HydrophobicContact CB-CE2 4.37Å; P242-F245 HydrophobicContact CG-CD2 3.87Å; P242-F245 HydrophobicContact CG-CE2 4.35Å; P242-F245 WeakPolarHBondContact O-CA 3.47Å; P242-F245 PolarHBondContact O-N 2.86Å; P242-Q246 PolarHBondContact O-N 3.16Å
243T88.3Confident86.2Confident118 Ų11876 Ų7672%0.72443%0.426SS*.G310 helixtrans-54.9-32-17447.70000113.8L241 F245 Q246L241-T243 PolarHBondContact O-N 3.34Å; T243-F245 PolarHBondContact O-N 3.39Å; T243-Q246 PolarHBondContact O-N 2.57Å
244C90.4Very high86.3Confident86 Ų8672.5 Ų72.558%0.58140%0.404SS*.G310 helixtrans-66.8-14.7175.154.40000114.6P242P242-C244 PolarHBondContact O-N 3.21Å
245F91.6Very high86.4Confident14 Ų1468.3 Ų68.36%0.06138%0.375CS..G310 helixtrans-116.410.2179.8-55.8-51.1000113I220 Q223 P242 T243 N247 N250 D293 A297I220-F245 HydrophobicContact CB-CZ 4.22Å; I220-F245 HydrophobicContact CG1-CE1 4.16Å; I220-F245 HydrophobicContact CG1-CZ 3.91Å; I220-F245 HydrophobicContact CG2-CE1 4.25Å; I220-F245 HydrophobicContact CG2-CE2 4.01Å; I220-F245 HydrophobicContact CG2-CZ 3.83Å; Q223-F245 HydrophobicContact CB-CE2 4.11Å; P242-F245 HydrophobicContact CB-CD2 3.83Å; P242-F245 HydrophobicContact CB-CE2 4.37Å; P242-F245 HydrophobicContact CG-CD2 3.87Å; P242-F245 HydrophobicContact CG-CE2 4.35Å; P242-F245 WeakPolarHBondContact O-CA 3.47Å; P242-F245 PolarHBondContact O-N 2.86Å; T243-F245 PolarHBondContact O-N 3.39Å; F245-N247 PolarHBondContact O-OD1 3.22Å; F245-N250 PolarHBondContact O-ND2 2.95Å; F245-D293 HydrophobicContact CD1-CB 4.38Å; F245-D293 HydrophobicContact CE1-CB 4.1Å; F245-A297 HydrophobicContact CB-CB 3.78Å; F245-A297 HydrophobicContact CD1-CB 4.4Å; F245-A297 HydrophobicContact CD2-CB 3.71Å; F245-A297 HydrophobicContact CE2-CB 4.41Å; F245-A297 HydrophobicContact CG-CB 3.72Å
246Q88.3Confident86.7Confident87 Ų8769.9 Ų69.941%0.40736%0.364SS..  trans-88.2129.9175.4-69.7-176.41.600110.6L241 P242 T243L241-Q246 HydrophobicContact CB-CG 4.02Å; L241-Q246 PolarHBondContact O-NE2 3.29Å; P242-Q246 PolarHBondContact O-N 3.16Å; T243-Q246 PolarHBondContact O-N 2.57Å
247N87.1Confident86.6Confident61 Ų6166.1 Ų66.133%0.32634%0.344SS..  trans-142.8171.5176.616.3-23000108.6F245 H249 N250 R251 A294F245-N247 PolarHBondContact O-OD1 3.22Å; N247-H249 PolarHBondContact O-N 3.42Å; N247-H249 VanDerWaalsContact O-N 3.1Å; N247-N250 WeakPolarHBondContact CA-OD1 3.5Å; N247-N250 WeakPolarHBondContact CB-OD1 3.43Å; N247-N250 PolarHBondContact N-OD1 3.46Å; N247-N250 VanDerWaalsContact N-OD1 3.15Å; N247-N250 PolarHBondContact O-N 3.43Å; N247-N250 PolarHBondContact O-OD1 3.5Å; N247-N250 VanDerWaalsContact OD1-CG 3.26Å; N247-N250 PolarHBondContact OD1-ND2 2.83Å; N247-N250 PolarHBondContact OD1-OD1 3.46Å; N247-R251 WeakPolarHBondContact O-CG 3.35Å; N247-A294 WeakPolarHBondContact ND2-CB 3.34Å; N247-A294 WeakPolarHBondContact OD1-CB 3.13Å
248E81.2Confident85.8Confident152 Ų15267 Ų6771%0.7135%0.347SS*.THydrogen-bonded Turntrans-60.5-22.1-175.5-65-171161.100113.7
249H78.9Confident84.2Confident169 Ų16973.2 Ų73.278%0.78238%0.377SS*.THydrogen-bonded Turntrans-92.1-5.4-173.7-59.6-49.7000114.9N247N247-H249 PolarHBondContact O-N 3.42Å; N247-H249 VanDerWaalsContact O-N 3.1Å
250N82.9Confident82.5Confident13 Ų1375.5 Ų75.57%0.0739%0.393CS..SBendtrans-140.916.4-167.647.1-31.9000112.9L241 F245 N247 D252 V253 A298L241-N250 HydrophobicContact CD1-CB 4.12Å; F245-N250 PolarHBondContact O-ND2 2.95Å; N247-N250 WeakPolarHBondContact CA-OD1 3.5Å; N247-N250 WeakPolarHBondContact CB-OD1 3.43Å; N247-N250 PolarHBondContact N-OD1 3.46Å; N247-N250 VanDerWaalsContact N-OD1 3.15Å; N247-N250 PolarHBondContact O-N 3.43Å; N247-N250 PolarHBondContact O-OD1 3.5Å; N247-N250 VanDerWaalsContact OD1-CG 3.26Å; N247-N250 PolarHBondContact OD1-ND2 2.83Å; N247-N250 PolarHBondContact OD1-OD1 3.46Å; N250-D252 PolarHBondContact O-N 2.99Å; N250-V253 HydrophobicContact CB-CG2 4.23Å; N250-V253 PolarHBondContact O-N 2.97Å; N250-A298 HydrophobicContact CB-CB 4.32Å
251R76.9Confident80.8Confident175 Ų17581.1 Ų81.166%0.6642%0.417SS*.THydrogen-bonded Turntrans-61.4-24.3172.5-71.4-170.9177.2164.82.4113.3N247 V253N247-R251 WeakPolarHBondContact O-CG 3.35Å; R251-V253 PolarHBondContact O-N 2.97Å
252D83.9Confident79.4Confident146 Ų14685.7 Ų85.778%0.78145%0.445SS*.THydrogen-bonded Turntrans-83-7.1-174.4-38.6-21.5000112N250 V254N250-D252 PolarHBondContact O-N 2.99Å; D252-V254 PolarHBondContact O-N 2.97Å
253V85.7Confident78.5Confident16 Ų1687.3 Ų87.310%0.09745%0.451CS..  trans-84.499.5-174.8-177.50000109.7L241 N250 R251 A298 L301 Q302L241-V253 HydrophobicContact CD1-CB 4.01Å; L241-V253 HydrophobicContact CD1-CG1 4.27Å; N250-V253 HydrophobicContact CB-CG2 4.23Å; N250-V253 PolarHBondContact O-N 2.97Å; R251-V253 PolarHBondContact O-N 2.97Å; V253-A298 HydrophobicContact CG1-CB 4.47Å; V253-A298 HydrophobicContact CG2-CB 4.32Å; V253-L301 HydrophobicContact CG1-CB 4.2Å; V253-L301 HydrophobicContact CG1-CD2 4.01Å; V253-Q302 HydrophobicContact CG1-CG 3.91Å
254V88.8Confident78.4Confident53 Ų5381.9 Ų81.932%0.32142%0.418SS..EExtended strand (participates in β ladder)trans-127.7137.6-177-176.60000110.4D252D252-V254 PolarHBondContact O-N 2.97Å
255L88.9Confident78.2Confident0 Ų081.4 Ų81.40%041%0.412CS..EExtended strand (participates in β ladder)trans-98.3121.2172.7-176.871.8000109.7V228 S238 V239 I257 Y264 L301 I304 S305V228-L255 HydrophobicContact CG1-CD2 4.02Å; V228-L255 HydrophobicContact CG2-CD2 3.92Å; S238-L255 CarbonylContact C-O 3.27Å; S238-L255 VanDerWaalsContact CA-O 3.31Å; S238-L255 WeakPolarHBondContact CA-O 3.45Å; V239-L255 HydrophobicContact CB-CB 4.35Å; V239-L255 PolarHBondContact N-O 3.07Å; V239-L255 PolarHBondContact O-N 3.3Å; L255-I257 HydrophobicContact CD2-CD1 4.09Å; L255-I257 HydrophobicContact CD2-CG1 4.24Å; L255-I257 HydrophobicContact CG-CG1 4.22Å; L255-Y264 HydrophobicContact CD1-CE2 4.36Å; L255-Y264 HydrophobicContact CD2-CD2 4.35Å; L255-Y264 HydrophobicContact CD2-CE2 3.93Å; L255-Y264 HydrophobicContact CG-CE2 4.28Å; L255-L301 HydrophobicContact CB-CD1 4.16Å; L255-L301 HydrophobicContact CB-CD2 4.24Å; L255-L301 HydrophobicContact CB-CG 4.07Å; L255-L301 HydrophobicContact CD2-CD1 4.31Å; L255-I304 HydrophobicContact CD1-CB 4.38Å; L255-I304 HydrophobicContact CD1-CG2 3.93Å; L255-I304 HydrophobicContact CD2-CG2 3.94Å; L255-S305 VanDerWaalsContact CD1-CA 3.48Å
256Q86.8Confident78.1Confident101 Ų10185.8 Ų85.847%0.47244%0.435SS..EExtended strand (participates in β ladder)trans-82.7124.7176.3-66.5-64.7-24.800111S237 K263S237-Q256 PolarHBondContact O-OE1 3.07Å; Q256-K263 PolarHBondContact O-NZ 2.79Å
257I81.3Confident78.2Confident7 Ų783.9 Ų83.94%0.03644%0.438CS..  trans-127.160-179.8-33.2-171000108.9V228 Q232 S237 V239 L255 N259 K263 Y264V228-I257 HydrophobicContact CG1-CD1 4Å; Q232-I257 HydrophobicContact CG-CD1 3.93Å; Q232-I257 HydrophobicContact CG-CG2 3.74Å; S237-I257 CarbonylContact O-C 3.58Å; S237-I257 VanDerWaalsContact O-C 3.27Å; S237-I257 WeakPolarHBondContact O-CA 3.29Å; S237-I257 PolarHBondContact O-N 3.19Å; V239-I257 HydrophobicContact CB-CD1 3.95Å; V239-I257 HydrophobicContact CB-CG1 4.5Å; V239-I257 HydrophobicContact CG2-CD1 3.15Å; V239-I257 HydrophobicContact CG2-CG1 3.9Å; L255-I257 HydrophobicContact CD2-CD1 4.09Å; L255-I257 HydrophobicContact CD2-CG1 4.24Å; L255-I257 HydrophobicContact CG-CG1 4.22Å; I257-N259 PolarHBondContact O-N 3.31Å; I257-K263 HydrophobicContact CG2-CB 3.96Å; I257-K263 HydrophobicContact CG2-CD 4.24Å; I257-Y264 HydrophobicContact CD1-CD2 4.44Å; I257-Y264 HydrophobicContact CG2-CD2 4.16Å
258T68.2Low78.4Confident84 Ų8482.5 Ų82.552%0.51543%0.433SS..  trans-79.1122.9-17737.20000112S260T258-S260 VanDerWaalsContact C-N 3.35Å; T258-S260 PolarHBondContact O-N 3.29Å; T258-S260 VanDerWaalsContact O-N 3.1Å
259N53.6Low78.9Confident168 Ų16875.2 Ų75.290%0.89840%0.4SS*.SBendtrans46.838.1160.2-68-1.3000118.5I257I257-N259 PolarHBondContact O-N 3.31Å
260S55Low79.7Confident49 Ų4970.1 Ų70.134%0.34338%0.378SS..  trans-130.6112.2156.9156.90000106.6T258 T262 K263T258-S260 VanDerWaalsContact C-N 3.35Å; T258-S260 PolarHBondContact O-N 3.29Å; T258-S260 VanDerWaalsContact O-N 3.1Å; S260-T262 PolarHBondContact O-N 3Å; S260-T262 PolarHBondContact OG-N 3.5Å; S260-K263 PolarHBondContact O-N 3.28Å; S260-K263 VanDerWaalsContact O-N 3.15Å; S260-K263 WeakPolarHBondContact OG-CA 3.49Å; S260-K263 PolarHBondContact OG-N 3.44Å
261E55.6Low80.1Confident194 Ų19479 Ų7991%0.90741%0.41SS*.THydrogen-bonded Turntrans-55-5.1175.3-64-179167.800112.6
262T61.9Low81Confident98 Ų9871.5 Ų71.560%0.60138%0.383SS*.THydrogen-bonded Turntrans-137.616.2-175.753.50000114.6S260 Y264S260-T262 PolarHBondContact O-N 3Å; S260-T262 PolarHBondContact OG-N 3.5Å; T262-Y264 PolarHBondContact O-N 3.5Å; T262-Y264 VanDerWaalsContact O-N 3.08Å
263K73.6Confident81.5Confident42 Ų4265.4 Ų65.418%0.18335%0.35CS..SBendtrans-49.8-45.2-175-175.3176.5-179.8177.60111.4Q256 I257 S260 D309Q256-K263 PolarHBondContact O-NZ 2.79Å; I257-K263 HydrophobicContact CG2-CB 3.96Å; I257-K263 HydrophobicContact CG2-CD 4.24Å; S260-K263 PolarHBondContact O-N 3.28Å; S260-K263 VanDerWaalsContact O-N 3.15Å; S260-K263 WeakPolarHBondContact OG-CA 3.49Å; S260-K263 PolarHBondContact OG-N 3.44Å; K263-D309 WeakPolarHBondContact CE-OD1 3.47Å; K263-D309 IonicContact NZ-OD1 3.62Å; K263-D309 PolarHBondContact NZ-OD1 3.17Å
264Y85.3Confident81.9Confident5 Ų573.1 Ų73.12%0.0238%0.377CS..SBendtrans-113.3100.2174.5-66.3-73.5000111.3V228 Q232 L255 I257 T262 L269 L272 I304V228-Y264 HydrophobicContact CG1-CD2 4.48Å; Q232-Y264 PolarHBondContact NE2-O 3.33Å; L255-Y264 HydrophobicContact CD1-CE2 4.36Å; L255-Y264 HydrophobicContact CD2-CD2 4.35Å; L255-Y264 HydrophobicContact CD2-CE2 3.93Å; L255-Y264 HydrophobicContact CG-CE2 4.28Å; I257-Y264 HydrophobicContact CD1-CD2 4.44Å; I257-Y264 HydrophobicContact CG2-CD2 4.16Å; T262-Y264 PolarHBondContact O-N 3.5Å; T262-Y264 VanDerWaalsContact O-N 3.08Å; Y264-L269 HydrophobicContact CD1-CD2 3.91Å; Y264-L269 HydrophobicContact CD1-CG 4.43Å; Y264-L269 HydrophobicContact CG-CD2 4.13Å; Y264-L269 HydrophobicContact CG-CG 4.48Å; Y264-L272 HydrophobicContact CE1-CD1 4.45Å; Y264-I304 HydrophobicContact CD1-CG2 4.16Å; Y264-I304 HydrophobicContact CE1-CG2 3.57Å
265T87.6Confident82.2Confident75 Ų7577 Ų7746%0.4639%0.386SS..  trans-71.7154.6168.5630000111.1G267 S268 L269T265-G267 PolarHBondContact O-N 3.05Å; T265-S268 PolarHBondContact N-OG 3.43Å; T265-S268 PolarHBondContact O-N 3.19Å; T265-S268 PolarHBondContact O-OG 3.37Å; T265-S268 PolarHBondContact OG1-N 3.48Å; T265-S268 VanDerWaalsContact OG1-N 3.16Å; T265-S268 PolarHBondContact OG1-OG 3.23Å; T265-L269 PolarHBondContact O-N 3Å
266I89.2Confident82.4Confident107 Ų10777.4 Ų77.455%0.54939%0.387SS..Hα-helixtrans-50.1-42.2170.5-82.5162.4000111.1L229 I270L229-I266 HydrophobicContact CD1-CD1 4.3Å; L229-I266 HydrophobicContact CD1-CG1 3.52Å; L229-I266 HydrophobicContact CD2-CG1 3.75Å; L229-I266 HydrophobicContact CG-CG1 4.3Å; I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 WeakPolarHBondContact O-CB 3.4Å; I266-I270 VanDerWaalsContact O-CG1 3.32Å; I266-I270 WeakPolarHBondContact O-CG1 3.28Å; I266-I270 PolarHBondContact O-N 2.82Å
267G89.9Confident82.7Confident46 Ų4673 Ų7347%0.47437%0.367SS..Hα-helixtrans-62.9-42.7178.900000113.2T265 R271T265-G267 PolarHBondContact O-N 3.05Å; G267-R271 WeakPolarHBondContact O-CB 3.33Å; G267-R271 PolarHBondContact O-N 2.88Å; G267-R271 VanDerWaalsContact O-N 3.1Å
268S90.7Very high83Confident32 Ų3275 Ų7522%0.22439%0.385CS..Hα-helixtrans-68.8-44.2179.473.50000111.5T265 R271 L272T265-S268 PolarHBondContact N-OG 3.43Å; T265-S268 PolarHBondContact O-N 3.19Å; T265-S268 PolarHBondContact O-OG 3.37Å; T265-S268 PolarHBondContact OG1-N 3.48Å; T265-S268 VanDerWaalsContact OG1-N 3.16Å; T265-S268 PolarHBondContact OG1-OG 3.23Å; S268-R271 PolarHBondContact O-N 3.44Å; S268-L272 WeakPolarHBondContact O-CG 3.49Å; S268-L272 PolarHBondContact O-N 3.19Å
269L93.2Very high84Confident0 Ų073.7 Ų73.70%038%0.376CS..Hα-helixtrans-63.6-43.9178.2-72.3173000112.5V225 V228 L229 Y264 T265 R271 L272 K273 I304V225-L269 HydrophobicContact CG1-CB 3.95Å; V225-L269 HydrophobicContact CG1-CD1 4.15Å; V225-L269 HydrophobicContact CG2-CB 4.16Å; V228-L269 HydrophobicContact CB-CD1 4.32Å; V228-L269 HydrophobicContact CG1-CD1 3.93Å; V228-L269 HydrophobicContact CG1-CD2 4.3Å; L229-L269 HydrophobicContact CD1-CD1 4.43Å; L229-L269 HydrophobicContact CD2-CD1 3.77Å; L229-L269 HydrophobicContact CG-CD1 3.77Å; Y264-L269 HydrophobicContact CD1-CD2 3.91Å; Y264-L269 HydrophobicContact CD1-CG 4.43Å; Y264-L269 HydrophobicContact CG-CD2 4.13Å; Y264-L269 HydrophobicContact CG-CG 4.48Å; T265-L269 PolarHBondContact O-N 3Å; L269-R271 VanDerWaalsContact C-N 3.28Å; L269-R271 PolarHBondContact O-N 2.94Å; L269-L272 PolarHBondContact O-N 3.34Å; L269-K273 WeakPolarHBondContact O-CB 3.4Å; L269-K273 PolarHBondContact O-N 3.34Å; L269-I304 HydrophobicContact CD2-CD1 4.07Å; L269-I304 HydrophobicContact CD2-CG2 4.12Å
270I93.8Very high85.6Confident62 Ų6267 Ų6732%0.31834%0.34SS..Hα-helixtrans-62.2-38.5175.3-71.3-179.1000110.8I266 K273 R274I266-I270 HydrophobicContact CG2-CD1 3.9Å; I266-I270 WeakPolarHBondContact O-CB 3.4Å; I266-I270 VanDerWaalsContact O-CG1 3.32Å; I266-I270 WeakPolarHBondContact O-CG1 3.28Å; I266-I270 PolarHBondContact O-N 2.82Å; I270-K273 PolarHBondContact O-N 2.93Å; I270-R274 WeakPolarHBondContact O-CG 3.2Å; I270-R274 PolarHBondContact O-N 2.95Å
271R93.3Very high86.9Confident199 Ų19970.5 Ų70.575%0.75135%0.345SS*.Hα-helixtrans-67.6-41.8178.2-162.2-179.3-86.8-159.8-3.5111.3G267 S268 L269 R274 R275G267-R271 WeakPolarHBondContact O-CB 3.33Å; G267-R271 PolarHBondContact O-N 2.88Å; G267-R271 VanDerWaalsContact O-N 3.1Å; S268-R271 PolarHBondContact O-N 3.44Å; L269-R271 VanDerWaalsContact C-N 3.28Å; L269-R271 PolarHBondContact O-N 2.94Å; R271-R274 PolarHBondContact O-N 3.45Å; R271-R275 PolarHBondContact O-N 2.87Å
272L94.7Very high87.9Confident18 Ų1867.5 Ų67.59%0.09434%0.335CS..Hα-helixtrans-63.4-45.3173.5-74.5171000111.9Y264 S268 L269 R274 R275 Y276 F303 I304 N307Y264-L272 HydrophobicContact CE1-CD1 4.45Å; S268-L272 WeakPolarHBondContact O-CG 3.49Å; S268-L272 PolarHBondContact O-N 3.19Å; L269-L272 PolarHBondContact O-N 3.34Å; L272-R274 PolarHBondContact O-N 2.5Å; L272-R275 PolarHBondContact O-N 2.99Å; L272-R275 VanDerWaalsContact O-N 3.15Å; L272-Y276 PolarHBondContact O-N 3.39Å; L272-F303 HydrophobicContact CD2-CE1 4.1Å; L272-I304 HydrophobicContact CD1-CG1 4.47Å; L272-I304 HydrophobicContact CD1-CG2 4.21Å; L272-N307 HydrophobicContact CD2-CB 3.63Å
273K95.4Very high88.5Confident18 Ų1868 Ų688%0.07833%0.329CS..Hα-helixtrans-54.2-51.8173.9172.7176146.8164.10111.4E218 V225 L269 I270 R275 Y276 I277 F300E218-K273 PolarHBondContact O-NZ 2.86Å; V225-K273 HydrophobicContact CG2-CB 4.43Å; V225-K273 HydrophobicContact CG2-CD 4.45Å; L269-K273 WeakPolarHBondContact O-CB 3.4Å; L269-K273 PolarHBondContact O-N 3.34Å; I270-K273 PolarHBondContact O-N 2.93Å; K273-R275 VanDerWaalsContact C-N 3.28Å; K273-R275 PolarHBondContact O-N 3.4Å; K273-Y276 PolarHBondContact O-N 3.4Å; K273-I277 HydrophobicContact CD-CD1 4.45Å; K273-I277 HydrophobicContact CG-CD1 3.83Å; K273-I277 HydrophobicContact CG-CG1 4.47Å; K273-I277 WeakPolarHBondContact O-CG1 3.45Å; K273-I277 PolarHBondContact O-N 2.93Å; K273-F300 HydrophobicContact CB-CE2 4.29Å; K273-F300 HydrophobicContact CB-CZ 3.74Å; K273-F300 HydrophobicContact CG-CZ 4.38Å
274R93.8Very high88.2Confident178 Ų17867.8 Ų67.867%0.67233%0.328SS*.Hα-helixtrans-58.3-41.4177.9-73.9-179.9-173.1-177.93.6111.8I270 R271 L272 A278I270-R274 WeakPolarHBondContact O-CG 3.2Å; I270-R274 PolarHBondContact O-N 2.95Å; R271-R274 PolarHBondContact O-N 3.45Å; L272-R274 PolarHBondContact O-N 2.5Å; R274-A278 WeakPolarHBondContact O-CB 3.25Å; R274-A278 PolarHBondContact O-N 2.95Å
275R93.6Very high87Confident134 Ų13474 Ų7451%0.50636%0.362SS..Hα-helixtrans-65.1-44178.6-139.8176.591.9171.62.3111.6R271 L272 K273 A278 V279 F303 N307R271-R275 PolarHBondContact O-N 2.87Å; L272-R275 PolarHBondContact O-N 2.99Å; L272-R275 VanDerWaalsContact O-N 3.15Å; K273-R275 VanDerWaalsContact C-N 3.28Å; K273-R275 PolarHBondContact O-N 3.4Å; R275-A278 PolarHBondContact O-N 2.89Å; R275-V279 WeakPolarHBondContact O-CG2 3.33Å; R275-V279 PolarHBondContact O-N 3.32Å; R275-V279 VanDerWaalsContact O-N 3.11Å; R275-F303 HydrophobicContact CB-CZ 4.34Å; R275-N307 PolarHBondContact NH2-OD1 3.21Å
276Y94.5Very high85.7Confident8 Ų878.1 Ų78.13%0.03138%0.375CS..Hα-helixtrans-61.8-48.7176.4-178.9-104.7000111.9L217 T221 L272 K273 A278 V279 Q280 N299 F300 F303L217-Y276 HydrophobicContact CD1-CE1 4.31Å; T221-Y276 HydrophobicContact CG2-CD1 3.89Å; T221-Y276 HydrophobicContact CG2-CE1 3.98Å; L272-Y276 PolarHBondContact O-N 3.39Å; K273-Y276 PolarHBondContact O-N 3.4Å; Y276-A278 VanDerWaalsContact C-N 3.3Å; Y276-A278 PolarHBondContact O-N 2.84Å; Y276-V279 PolarHBondContact O-N 3.08Å; Y276-V279 VanDerWaalsContact O-N 3.13Å; Y276-Q280 HydrophobicContact CD1-CG 4.19Å; Y276-Q280 HydrophobicContact CE1-CG 3.84Å; Y276-Q280 HydrophobicContact CE2-CG 4.18Å; Y276-Q280 VanDerWaalsContact CZ-NE2 3.26Å; Y276-Q280 WeakPolarHBondContact O-CG 3.2Å; Y276-Q280 PolarHBondContact O-N 2.97Å; Y276-Q280 PolarHBondContact OH-NE2 3.39Å; Y276-N299 WeakPolarHBondContact OH-CB 3.35Å; Y276-F300 HydrophobicContact CD1-CB 4.19Å; Y276-F300 AromaticContact CD1-CD2 3.49Å; Y276-F300 HydrophobicContact CD1-CD2 3.49Å; Y276-F300 VanDerWaalsContact CD1-CD2 3.49Å; Y276-F300 HydrophobicContact CD1-CE2 4.21Å; Y276-F300 HydrophobicContact CD1-CG 4.07Å; Y276-F300 HydrophobicContact CD2-CD2 4.01Å; Y276-F300 HydrophobicContact CE1-CB 3.82Å; Y276-F300 HydrophobicContact CE1-CD2 4.03Å; Y276-F300 HydrophobicContact CE1-CG 4.2Å; Y276-F300 HydrophobicContact CE2-CB 4.47Å; Y276-F300 HydrophobicContact CE2-CD2 4.49Å; Y276-F300 AromaticContact CG-CD2 3.46Å; Y276-F300 HydrophobicContact CG-CD2 3.46Å; Y276-F300 VanDerWaalsContact CG-CD2 3.46Å; Y276-F300 HydrophobicContact CG-CE2 4.06Å; Y276-F300 HydrophobicContact CG-CG 4.41Å; Y276-F303 HydrophobicContact CD2-CB 3.83Å; Y276-F303 AromaticContact CD2-CD1 3.99Å; Y276-F303 HydrophobicContact CD2-CD1 3.99Å; Y276-F303 AromaticContact CD2-CD2 3.85Å; Y276-F303 HydrophobicContact CD2-CD2 3.85Å; Y276-F303 HydrophobicContact CD2-CE2 4.4Å; Y276-F303 AromaticContact CD2-CG 3.61Å; Y276-F303 HydrophobicContact CD2-CG 3.61Å; Y276-F303 HydrophobicContact CE2-CB 4.15Å; Y276-F303 HydrophobicContact CE2-CG 4.37Å; Y276-F303 HydrophobicContact CG-CD1 4.32Å; Y276-F303 HydrophobicContact CG-CG 4.39Å
277I91.8Very high84.1Confident8 Ų876.7 Ų76.74%0.04137%0.369CS..Hα-helixtrans-59-41.5177.8-68.2174.1000111.1L217 E218 K273 V279 Q280 R281L217-I277 HydrophobicContact CD2-CB 4.22Å; L217-I277 HydrophobicContact CD2-CG1 3.89Å; L217-I277 HydrophobicContact CD2-CG2 4.1Å; L217-I277 HydrophobicContact CG-CG1 4.44Å; E218-I277 HydrophobicContact CB-CD1 4.46Å; E218-I277 HydrophobicContact CG-CD1 4.28Å; K273-I277 HydrophobicContact CD-CD1 4.45Å; K273-I277 HydrophobicContact CG-CD1 3.83Å; K273-I277 HydrophobicContact CG-CG1 4.47Å; K273-I277 WeakPolarHBondContact O-CG1 3.45Å; K273-I277 PolarHBondContact O-N 2.93Å; I277-V279 PolarHBondContact O-N 2.9Å; I277-Q280 PolarHBondContact O-N 3.32Å; I277-R281 WeakPolarHBondContact O-CG 3.35Å; I277-R281 PolarHBondContact O-N 2.9Å
278A88.9Confident82.6Confident51 Ų5182 Ų8242%0.42139%0.386SS..Hα-helixtrans-62-41.5176.600000112.5R274 R275 Y276 R281 L282R274-A278 WeakPolarHBondContact O-CB 3.25Å; R274-A278 PolarHBondContact O-N 2.95Å; R275-A278 PolarHBondContact O-N 2.89Å; Y276-A278 VanDerWaalsContact C-N 3.3Å; Y276-A278 PolarHBondContact O-N 2.84Å; A278-R281 PolarHBondContact O-N 2.63Å; A278-L282 PolarHBondContact O-N 3.18Å
279V87.7Confident81.5Confident55 Ų5585.7 Ų85.733%0.33341%0.407SS..Hα-helixtrans-65.1-43175.7172.20000111.1R275 Y276 I277 R281 L282 K283R275-V279 WeakPolarHBondContact O-CG2 3.33Å; R275-V279 PolarHBondContact O-N 3.32Å; R275-V279 VanDerWaalsContact O-N 3.11Å; Y276-V279 PolarHBondContact O-N 3.08Å; Y276-V279 VanDerWaalsContact O-N 3.13Å; I277-V279 PolarHBondContact O-N 2.9Å; V279-R281 PolarHBondContact O-N 3.35Å; V279-L282 PolarHBondContact O-N 3.05Å; V279-K283 HydrophobicContact CG1-CD 4.35Å; V279-K283 PolarHBondContact O-N 3.08Å; V279-K283 VanDerWaalsContact O-N 3.17Å
280Q87.9Confident80.6Confident28 Ų2890.2 Ų90.213%0.13143%0.431CS..Hα-helixtrans-67-36179.6-65-60.91.700112.3L217 Y276 I277 L282 K283 F284L217-Q280 HydrophobicContact CD1-CB 4.41Å; L217-Q280 HydrophobicContact CD1-CG 4.31Å; L217-Q280 HydrophobicContact CD2-CB 3.92Å; L217-Q280 HydrophobicContact CD2-CG 4.45Å; Y276-Q280 HydrophobicContact CD1-CG 4.19Å; Y276-Q280 HydrophobicContact CE1-CG 3.84Å; Y276-Q280 HydrophobicContact CE2-CG 4.18Å; Y276-Q280 VanDerWaalsContact CZ-NE2 3.26Å; Y276-Q280 WeakPolarHBondContact O-CG 3.2Å; Y276-Q280 PolarHBondContact O-N 2.97Å; Y276-Q280 PolarHBondContact OH-NE2 3.39Å; I277-Q280 PolarHBondContact O-N 3.32Å; Q280-L282 VanDerWaalsContact C-N 3.29Å; Q280-L282 PolarHBondContact O-N 3Å; Q280-K283 PolarHBondContact O-N 2.87Å; Q280-F284 WeakPolarHBondContact O-CB 3.49Å; Q280-F284 PolarHBondContact O-N 2.65Å
281R82.1Confident80Confident122 Ų12289.1 Ų89.146%0.4643%0.427SS..Hα-helixtrans-57.1-41.1172.5-77176.4-173.7-168.42.8112.6L214 I277 A278 V279L214-R281 HydrophobicContact CD1-CG 3.64Å; I277-R281 WeakPolarHBondContact O-CG 3.35Å; I277-R281 PolarHBondContact O-N 2.9Å; A278-R281 PolarHBondContact O-N 2.63Å; V279-R281 PolarHBondContact O-N 3.35Å
282L76.8Confident79.8Confident131 Ų13183.5 Ų83.569%0.68641%0.412SS*.Hα-helixtrans-71.5-33179-67.6170.2000113.1A278 V279 Q280A278-L282 PolarHBondContact O-N 3.18Å; V279-L282 PolarHBondContact O-N 3.05Å; Q280-L282 VanDerWaalsContact C-N 3.29Å; Q280-L282 PolarHBondContact O-N 3Å
283K73.9Confident79.6Confident110 Ų11085.9 Ų85.948%0.47843%0.425SS..Hα-helixtrans-80.2-25.9177.6-71.4-175.8178-176.40112.7V279 Q280 D285 Q286 L287V279-K283 HydrophobicContact CG1-CD 4.35Å; V279-K283 PolarHBondContact O-N 3.08Å; V279-K283 VanDerWaalsContact O-N 3.17Å; Q280-K283 PolarHBondContact O-N 2.87Å; K283-D285 VanDerWaalsContact C-N 3.27Å; K283-D285 PolarHBondContact O-N 3.07Å; K283-Q286 WeakPolarHBondContact O-CA 3.22Å; K283-Q286 WeakPolarHBondContact O-CB 3.37Å; K283-Q286 PolarHBondContact O-N 2.95Å; K283-L287 HydrophobicContact CB-CD1 4.3Å; K283-L287 PolarHBondContact O-N 3.36Å
284F67.9Low79.5Confident37 Ų3785.4 Ų85.416%0.16243%0.425CS..Hα-helixtrans-58.1-38.9-175.5-171.2-94.2000112.5S209 F213 Q280 Q286 L287S209-F284 VanDerWaalsContact CB-CE1 3.43Å; F213-F284 HydrophobicContact CB-CE2 4.03Å; F213-F284 HydrophobicContact CB-CZ 4.31Å; F213-F284 AromaticContact CD1-CD2 3.32Å; F213-F284 HydrophobicContact CD1-CD2 3.32Å; F213-F284 AromaticContact CD1-CE2 3.16Å; F213-F284 HydrophobicContact CD1-CE2 3.16Å; F213-F284 HydrophobicContact CD1-CG 4.25Å; F213-F284 HydrophobicContact CD1-CZ 4.03Å; F213-F284 HydrophobicContact CD2-CE2 4.18Å; F213-F284 AromaticContact CE1-CD2 3.25Å; F213-F284 HydrophobicContact CE1-CD2 3.25Å; F213-F284 AromaticContact CE1-CE2 3.57Å; F213-F284 HydrophobicContact CE1-CE2 3.57Å; F213-F284 HydrophobicContact CE1-CG 4.21Å; F213-F284 HydrophobicContact CE2-CE2 4.47Å; F213-F284 HydrophobicContact CG-CD2 4.11Å; F213-F284 AromaticContact CG-CE2 3.5Å; F213-F284 HydrophobicContact CG-CE2 3.5Å; F213-F284 HydrophobicContact CG-CZ 4.26Å; F213-F284 AromaticContact CZ-CD2 3.97Å; F213-F284 HydrophobicContact CZ-CD2 3.97Å; F213-F284 HydrophobicContact CZ-CE2 4.2Å; Q280-F284 WeakPolarHBondContact O-CB 3.49Å; Q280-F284 PolarHBondContact O-N 2.65Å; F284-Q286 PolarHBondContact O-N 2.83Å; F284-L287 PolarHBondContact O-N 3.25Å
285D60.4Low79.4Confident135 Ų13579.1 Ų79.172%0.72241%0.408SS*.THydrogen-bonded Turntrans-62.7-12.5175.9-70.8-18000114K283K283-D285 VanDerWaalsContact C-N 3.27Å; K283-D285 PolarHBondContact O-N 3.07Å
286Q60.1Low79.3Confident161 Ų16172.8 Ų72.875%0.75238%0.384SS*.THydrogen-bonded Turntrans-112.9-10.5-174.4-56.9-18013.500113.5K283 F284K283-Q286 WeakPolarHBondContact O-CA 3.22Å; K283-Q286 WeakPolarHBondContact O-CB 3.37Å; K283-Q286 PolarHBondContact O-N 2.95Å; F284-Q286 PolarHBondContact O-N 2.83Å
287L55.8Low79.4Confident77 Ų7772.4 Ų72.440%0.40338%0.383SS..  trans-91.3119.6-174.3-74.2165.7000110.8K283 F284 T289K283-L287 HydrophobicContact CB-CD1 4.3Å; K283-L287 PolarHBondContact O-N 3.36Å; F284-L287 PolarHBondContact O-N 3.25Å; L287-T289 PolarHBondContact O-N 3.44Å
288N58.9Low79.5Confident158 Ų15872.5 Ų72.585%0.84539%0.385SS*.SBendtrans-72.2-14.7174.3-74.4-25.9000113
289T66.3Low79.7Confident109 Ų10973.7 Ų73.767%0.66938%0.384SS*.SBendtrans-135.2131.7-176.844.80000110.5L287L287-T289 PolarHBondContact O-N 3.44Å
290I75.6Confident80.1Confident96 Ų9671 Ų7149%0.49237%0.368SS..PPolyproline II helixtrans-77.3124.5178-57.3173.9000107.7F213F213-I290 HydrophobicContact CD2-CG2 3.39Å; F213-I290 HydrophobicContact CE2-CG2 3.78Å; F213-I290 HydrophobicContact CG-CG2 4.26Å
291P80.7Confident80.4Confident38 Ų3869.9 Ų69.925%0.24736%0.362CS..PPolyproline II helixtrans-66141.717725.3-30.5000110.6F213 I296F213-P291 HydrophobicContact CE2-CG 3.9Å; F213-P291 HydrophobicContact CZ-CG 4.14Å; P291-I296 HydrophobicContact CB-CG1 4.21Å; P291-I296 HydrophobicContact CG-CD1 4.49Å; P291-I296 HydrophobicContact CG-CG1 4.08Å
292D88.4Confident80.8Confident81 Ų8168.9 Ų68.943%0.43336%0.363SS..PPolyproline II helixtrans-71.5163.7175.866.9-77.8000112A294 S295 I296D292-A294 VanDerWaalsContact C-N 3.31Å; D292-A294 PolarHBondContact O-N 3.09Å; D292-A294 WeakPolarHBondContact OD2-CB 3.44Å; D292-A294 PolarHBondContact OD2-N 3.1Å; D292-S295 WeakPolarHBondContact O-CB 3.12Å; D292-S295 PolarHBondContact O-N 3.06Å; D292-S295 VanDerWaalsContact O-N 3.16Å; D292-S295 WeakPolarHBondContact OD1-CB 3.29Å; D292-S295 PolarHBondContact OD1-OG 3.37Å; D292-S295 PolarHBondContact OD2-N 3.09Å; D292-S295 PolarHBondContact OD2-OG 3.27Å; D292-I296 WeakPolarHBondContact O-CG1 3.23Å; D292-I296 PolarHBondContact O-N 3.26Å
293D92.1Very high81.6Confident68 Ų6864.4 Ų64.436%0.36434%0.338SS..Hα-helixtrans-62-37.5-171.5-66-5.8000112.9N216 I220 F245 I296 A297N216-D293 PolarHBondContact ND2-OD1 3.03Å; N216-D293 PolarHBondContact ND2-OD2 3.4Å; I220-D293 HydrophobicContact CD1-CB 3.59Å; I220-D293 VanDerWaalsContact CD1-CG 3.49Å; I220-D293 WeakPolarHBondContact CD1-OD1 3.22Å; I220-D293 HydrophobicContact CG1-CB 4.42Å; F245-D293 HydrophobicContact CD1-CB 4.38Å; F245-D293 HydrophobicContact CE1-CB 4.1Å; D293-I296 PolarHBondContact O-N 3.27Å; D293-A297 PolarHBondContact O-N 3.3Å
294A92.7Very high82.5Confident9 Ų959.1 Ų59.17%0.07432%0.315CS..Hα-helixtrans-69.8-40.9177.300000111.8N247 D292 I296 A297 A298N247-A294 WeakPolarHBondContact ND2-CB 3.34Å; N247-A294 WeakPolarHBondContact OD1-CB 3.13Å; D292-A294 VanDerWaalsContact C-N 3.31Å; D292-A294 PolarHBondContact O-N 3.09Å; D292-A294 WeakPolarHBondContact OD2-CB 3.44Å; D292-A294 PolarHBondContact OD2-N 3.1Å; A294-I296 VanDerWaalsContact C-N 3.31Å; A294-I296 PolarHBondContact O-N 2.97Å; A294-A297 PolarHBondContact O-N 2.92Å; A294-A298 WeakPolarHBondContact O-CB 3.38Å; A294-A298 PolarHBondContact O-N 2.79Å
295S90.7Very high83.5Confident45 Ų4559.6 Ų59.632%0.31532%0.323SS..Hα-helixtrans-60.3-40.2171.9-69.90000112.1D292 N299D292-S295 WeakPolarHBondContact O-CB 3.12Å; D292-S295 PolarHBondContact O-N 3.06Å; D292-S295 VanDerWaalsContact O-N 3.16Å; D292-S295 WeakPolarHBondContact OD1-CB 3.29Å; D292-S295 PolarHBondContact OD1-OG 3.37Å; D292-S295 PolarHBondContact OD2-N 3.09Å; D292-S295 PolarHBondContact OD2-OG 3.27Å; S295-N299 VanDerWaalsContact O-CB 3.27Å; S295-N299 WeakPolarHBondContact O-CB 3.44Å; S295-N299 VanDerWaalsContact O-CG 3.24Å; S295-N299 PolarHBondContact O-N 2.98Å; S295-N299 PolarHBondContact O-ND2 3.34Å
296I93.1Very high84.8Confident2 Ų261.9 Ų61.91%0.0133%0.327CS..Hα-helixtrans-60.9-48.7176.1-68.7167.9000110.4F213 L217 I220 P291 D292 D293 A294 F300F213-I296 HydrophobicContact CE2-CD1 3.88Å; L217-I296 HydrophobicContact CD1-CD1 4.25Å; L217-I296 HydrophobicContact CD1-CG1 4.28Å; L217-I296 HydrophobicContact CD1-CG2 3.72Å; I220-I296 HydrophobicContact CB-CG2 4.14Å; I220-I296 HydrophobicContact CD1-CB 4.3Å; I220-I296 HydrophobicContact CD1-CD1 3.92Å; I220-I296 HydrophobicContact CD1-CG2 4.27Å; I220-I296 HydrophobicContact CG2-CB 4.25Å; I220-I296 HydrophobicContact CG2-CG2 3.79Å; P291-I296 HydrophobicContact CB-CG1 4.21Å; P291-I296 HydrophobicContact CG-CD1 4.49Å; P291-I296 HydrophobicContact CG-CG1 4.08Å; D292-I296 WeakPolarHBondContact O-CG1 3.23Å; D292-I296 PolarHBondContact O-N 3.26Å; D293-I296 PolarHBondContact O-N 3.27Å; A294-I296 VanDerWaalsContact C-N 3.31Å; A294-I296 PolarHBondContact O-N 2.97Å; I296-F300 WeakPolarHBondContact O-CB 3.43Å; I296-F300 PolarHBondContact O-N 3.06Å
297A95.2Very high86Confident0 Ų055.6 Ų55.60%030%0.298CS..Hα-helixtrans-62.9-47.9-179.400000111.7I220 V224 L241 F245 D293 A294 N299 F300 L301I220-A297 HydrophobicContact CG2-CB 3.76Å; V224-A297 HydrophobicContact CG2-CB 3.92Å; L241-A297 VanDerWaalsContact CD2-C 3.48Å; L241-A297 HydrophobicContact CD2-CB 3.59Å; F245-A297 HydrophobicContact CB-CB 3.78Å; F245-A297 HydrophobicContact CD1-CB 4.4Å; F245-A297 HydrophobicContact CD2-CB 3.71Å; F245-A297 HydrophobicContact CE2-CB 4.41Å; F245-A297 HydrophobicContact CG-CB 3.72Å; D293-A297 PolarHBondContact O-N 3.3Å; A294-A297 PolarHBondContact O-N 2.92Å; A297-N299 PolarHBondContact O-N 3.18Å; A297-F300 PolarHBondContact O-N 2.97Å; A297-L301 PolarHBondContact O-N 2.63Å
298A94.3Very high86.8Confident10 Ų1052.4 Ų52.48%0.08328%0.284CS..Hα-helixtrans-59.6-48.5179.200000112.1L241 N250 V253 A294 F300 L301 Q302L241-A298 HydrophobicContact CD1-CB 3.93Å; N250-A298 HydrophobicContact CB-CB 4.32Å; V253-A298 HydrophobicContact CG1-CB 4.47Å; V253-A298 HydrophobicContact CG2-CB 4.32Å; A294-A298 WeakPolarHBondContact O-CB 3.38Å; A294-A298 PolarHBondContact O-N 2.79Å; A298-F300 VanDerWaalsContact C-N 3.29Å; A298-F300 PolarHBondContact O-N 2.99Å; A298-L301 PolarHBondContact O-N 3.09Å; A298-Q302 PolarHBondContact O-N 2.96Å
299N92.8Very high87.1Confident75 Ų7549.4 Ų49.440%0.40127%0.268SS..Hα-helixtrans-63.6-36177.8-75.8-48.4000112.1Y276 S295 A297 F303Y276-N299 WeakPolarHBondContact OH-CB 3.35Å; S295-N299 VanDerWaalsContact O-CB 3.27Å; S295-N299 WeakPolarHBondContact O-CB 3.44Å; S295-N299 VanDerWaalsContact O-CG 3.24Å; S295-N299 PolarHBondContact O-N 2.98Å; S295-N299 PolarHBondContact O-ND2 3.34Å; A297-N299 PolarHBondContact O-N 3.18Å; N299-F303 VanDerWaalsContact O-CB 3.27Å; N299-F303 WeakPolarHBondContact O-CB 3.45Å; N299-F303 PolarHBondContact O-N 3.43Å
300F95.7Very high86.4Confident0 Ų047.9 Ų47.90%026%0.262CS..Hα-helixtrans-70.8-40.8177-177.2-127.6000112.2T221 V224 V225 K273 Y276 I296 A297 A298 Q302 F303 I304T221-F300 HydrophobicContact CG2-CB 4.16Å; T221-F300 HydrophobicContact CG2-CD1 3.73Å; T221-F300 HydrophobicContact CG2-CD2 4.21Å; T221-F300 HydrophobicContact CG2-CE1 4.16Å; T221-F300 HydrophobicContact CG2-CG 3.76Å; T221-F300 WeakPolarHBondContact O-CE1 3.35Å; V224-F300 HydrophobicContact CB-CD1 3.84Å; V224-F300 HydrophobicContact CB-CE1 4.17Å; V224-F300 HydrophobicContact CG1-CD1 3.77Å; V224-F300 HydrophobicContact CG1-CE1 4.11Å; V224-F300 HydrophobicContact CG2-CD1 4.39Å; V225-F300 HydrophobicContact CG2-CE1 3.98Å; V225-F300 HydrophobicContact CG2-CZ 4.2Å; K273-F300 HydrophobicContact CB-CE2 4.29Å; K273-F300 HydrophobicContact CB-CZ 3.74Å; K273-F300 HydrophobicContact CG-CZ 4.38Å; Y276-F300 HydrophobicContact CD1-CB 4.19Å; Y276-F300 AromaticContact CD1-CD2 3.49Å; Y276-F300 HydrophobicContact CD1-CD2 3.49Å; Y276-F300 VanDerWaalsContact CD1-CD2 3.49Å; Y276-F300 HydrophobicContact CD1-CE2 4.21Å; Y276-F300 HydrophobicContact CD1-CG 4.07Å; Y276-F300 HydrophobicContact CD2-CD2 4.01Å; Y276-F300 HydrophobicContact CE1-CB 3.82Å; Y276-F300 HydrophobicContact CE1-CD2 4.03Å; Y276-F300 HydrophobicContact CE1-CG 4.2Å; Y276-F300 HydrophobicContact CE2-CB 4.47Å; Y276-F300 HydrophobicContact CE2-CD2 4.49Å; Y276-F300 AromaticContact CG-CD2 3.46Å; Y276-F300 HydrophobicContact CG-CD2 3.46Å; Y276-F300 VanDerWaalsContact CG-CD2 3.46Å; Y276-F300 HydrophobicContact CG-CE2 4.06Å; Y276-F300 HydrophobicContact CG-CG 4.41Å; I296-F300 WeakPolarHBondContact O-CB 3.43Å; I296-F300 PolarHBondContact O-N 3.06Å; A297-F300 PolarHBondContact O-N 2.97Å; A298-F300 VanDerWaalsContact C-N 3.29Å; A298-F300 PolarHBondContact O-N 2.99Å; F300-Q302 PolarHBondContact O-N 3.23Å; F300-F303 HydrophobicContact CD2-CD1 4.37Å; F300-F303 HydrophobicContact CE2-CD1 4.37Å; F300-F303 WeakPolarHBondContact O-CB 3.45Å; F300-F303 PolarHBondContact O-N 2.73Å; F300-F303 VanDerWaalsContact O-N 3.14Å; F300-I304 HydrophobicContact CD1-CD1 4.14Å; F300-I304 HydrophobicContact CD2-CG1 4.45Å; F300-I304 HydrophobicContact CE1-CD1 3.71Å; F300-I304 HydrophobicContact CE1-CG1 4.42Å; F300-I304 HydrophobicContact CE2-CD1 4.22Å; F300-I304 HydrophobicContact CE2-CG1 4.04Å; F300-I304 HydrophobicContact CZ-CD1 3.74Å; F300-I304 HydrophobicContact CZ-CG1 4.02Å; F300-I304 WeakPolarHBondContact O-CG1 3.41Å; F300-I304 PolarHBondContact O-N 3.1Å
301L94.2Very high84.7Confident3 Ų347.8 Ų47.82%0.01627%0.269CS..Hα-helixtrans-63.4-42.6175.8-159.976.6000111.4V224 V228 L241 V253 L255 A297 A298 F303 I304 S305V224-L301 HydrophobicContact CG1-CD1 3.62Å; V228-L301 HydrophobicContact CG2-CD1 3.91Å; L241-L301 HydrophobicContact CD2-CB 4.4Å; L241-L301 HydrophobicContact CD2-CD2 4.47Å; L241-L301 HydrophobicContact CG-CD2 4.24Å; V253-L301 HydrophobicContact CG1-CB 4.2Å; V253-L301 HydrophobicContact CG1-CD2 4.01Å; L255-L301 HydrophobicContact CB-CD1 4.16Å; L255-L301 HydrophobicContact CB-CD2 4.24Å; L255-L301 HydrophobicContact CB-CG 4.07Å; L255-L301 HydrophobicContact CD2-CD1 4.31Å; A297-L301 PolarHBondContact O-N 2.63Å; A298-L301 PolarHBondContact O-N 3.09Å; L301-F303 VanDerWaalsContact C-N 3.32Å; L301-F303 PolarHBondContact O-N 3.24Å; L301-I304 PolarHBondContact O-N 2.89Å; L301-S305 PolarHBondContact O-N 2.78Å
302Q92.3Very high82.9Confident102 Ų10251 Ų5148%0.47728%0.284SS..Hα-helixtrans-62.2-39171.5-75-176.6-9.300112.3V253 A298 F300 I304 S305 F306V253-Q302 HydrophobicContact CG1-CG 3.91Å; A298-Q302 PolarHBondContact O-N 2.96Å; F300-Q302 PolarHBondContact O-N 3.23Å; Q302-I304 VanDerWaalsContact C-N 3.32Å; Q302-I304 PolarHBondContact O-N 3.45Å; Q302-S305 WeakPolarHBondContact O-CB 3.19Å; Q302-S305 PolarHBondContact O-N 2.65Å; Q302-F306 PolarHBondContact O-N 3.17Å
303F92.9Very high80.5Confident36 Ų3654.1 Ų54.116%0.15830%0.301CS..Hα-helixtrans-62.5-39.6175.9179.9-90.7000112L272 R275 Y276 N299 F300 L301 N307L272-F303 HydrophobicContact CD2-CE1 4.1Å; R275-F303 HydrophobicContact CB-CZ 4.34Å; Y276-F303 HydrophobicContact CD2-CB 3.83Å; Y276-F303 AromaticContact CD2-CD1 3.99Å; Y276-F303 HydrophobicContact CD2-CD1 3.99Å; Y276-F303 AromaticContact CD2-CD2 3.85Å; Y276-F303 HydrophobicContact CD2-CD2 3.85Å; Y276-F303 HydrophobicContact CD2-CE2 4.4Å; Y276-F303 AromaticContact CD2-CG 3.61Å; Y276-F303 HydrophobicContact CD2-CG 3.61Å; Y276-F303 HydrophobicContact CE2-CB 4.15Å; Y276-F303 HydrophobicContact CE2-CG 4.37Å; Y276-F303 HydrophobicContact CG-CD1 4.32Å; Y276-F303 HydrophobicContact CG-CG 4.39Å; N299-F303 VanDerWaalsContact O-CB 3.27Å; N299-F303 WeakPolarHBondContact O-CB 3.45Å; N299-F303 PolarHBondContact O-N 3.43Å; F300-F303 HydrophobicContact CD2-CD1 4.37Å; F300-F303 HydrophobicContact CE2-CD1 4.37Å; F300-F303 WeakPolarHBondContact O-CB 3.45Å; F300-F303 PolarHBondContact O-N 2.73Å; F300-F303 VanDerWaalsContact O-N 3.14Å; L301-F303 VanDerWaalsContact C-N 3.32Å; L301-F303 PolarHBondContact O-N 3.24Å; F303-N307 WeakPolarHBondContact CD2-ND2 3.47Å; F303-N307 WeakPolarHBondContact CE2-ND2 3.43Å; F303-N307 WeakPolarHBondContact O-CB 3.45Å; F303-N307 PolarHBondContact O-N 3.05Å; F303-N307 VanDerWaalsContact O-N 3.11Å; F303-N307 PolarHBondContact O-ND2 3.34Å
304I93.1Very high77.8Confident0 Ų060.5 Ų60.50%033%0.325CS..Hα-helixtrans-62.3-49.4173-65.5166.3000109.6V224 L255 Y264 L269 L272 F300 L301 Q302 F306 N307 G308V224-I304 HydrophobicContact CG1-CD1 4.28Å; L255-I304 HydrophobicContact CD1-CB 4.38Å; L255-I304 HydrophobicContact CD1-CG2 3.93Å; L255-I304 HydrophobicContact CD2-CG2 3.94Å; Y264-I304 HydrophobicContact CD1-CG2 4.16Å; Y264-I304 HydrophobicContact CE1-CG2 3.57Å; L269-I304 HydrophobicContact CD2-CD1 4.07Å; L269-I304 HydrophobicContact CD2-CG2 4.12Å; L272-I304 HydrophobicContact CD1-CG1 4.47Å; L272-I304 HydrophobicContact CD1-CG2 4.21Å; F300-I304 HydrophobicContact CD1-CD1 4.14Å; F300-I304 HydrophobicContact CD2-CG1 4.45Å; F300-I304 HydrophobicContact CE1-CD1 3.71Å; F300-I304 HydrophobicContact CE1-CG1 4.42Å; F300-I304 HydrophobicContact CE2-CD1 4.22Å; F300-I304 HydrophobicContact CE2-CG1 4.04Å; F300-I304 HydrophobicContact CZ-CD1 3.74Å; F300-I304 HydrophobicContact CZ-CG1 4.02Å; F300-I304 WeakPolarHBondContact O-CG1 3.41Å; F300-I304 PolarHBondContact O-N 3.1Å; L301-I304 PolarHBondContact O-N 2.89Å; Q302-I304 VanDerWaalsContact C-N 3.32Å; Q302-I304 PolarHBondContact O-N 3.45Å; I304-F306 VanDerWaalsContact C-N 3.3Å; I304-F306 PolarHBondContact O-N 2.99Å; I304-N307 PolarHBondContact O-N 2.9Å; I304-G308 WeakPolarHBondContact O-CA 3.48Å; I304-G308 PolarHBondContact O-N 3.17Å
305S89Confident74.9Confident47 Ų4764.6 Ų64.633%0.32936%0.359SS..Hα-helixtrans-52.5-48177.7179.40000112L255 L301 Q302 N307L255-S305 VanDerWaalsContact CD1-CA 3.48Å; L301-S305 PolarHBondContact O-N 2.78Å; Q302-S305 WeakPolarHBondContact O-CB 3.19Å; Q302-S305 PolarHBondContact O-N 2.65Å; S305-N307 PolarHBondContact O-N 3.2Å
306F87Confident72.1Confident182 Ų18271.5 Ų71.580%0.79841%0.407SS*.Hα-helixtrans-72.9-28.2-176.4-125.7-82.8000114.8Q302 I304Q302-F306 PolarHBondContact O-N 3.17Å; I304-F306 VanDerWaalsContact C-N 3.3Å; I304-F306 PolarHBondContact O-N 2.99Å
307N84.4Confident71Confident29 Ų2975 Ų7516%0.15543%0.427CS..Hα-helixtrans-110-14.5-173-66.5-90.5000113.3L272 R275 F303 I304 S305 S310L272-N307 HydrophobicContact CD2-CB 3.63Å; R275-N307 PolarHBondContact NH2-OD1 3.21Å; F303-N307 WeakPolarHBondContact CD2-ND2 3.47Å; F303-N307 WeakPolarHBondContact CE2-ND2 3.43Å; F303-N307 WeakPolarHBondContact O-CB 3.45Å; F303-N307 PolarHBondContact O-N 3.05Å; F303-N307 VanDerWaalsContact O-N 3.11Å; F303-N307 PolarHBondContact O-ND2 3.34Å; I304-N307 PolarHBondContact O-N 2.9Å; S305-N307 PolarHBondContact O-N 3.2Å; N307-S310 PolarHBondContact O-N 3.45Å; N307-S310 PolarHBondContact O-OG 3.46Å
308G73.2Confident69.8Low10 Ų1078.9 Ų78.910%0.10345%0.449CS..Hα-helixtrans-65.2-42.3-179.400000112.7I304 S310I304-G308 WeakPolarHBondContact O-CA 3.48Å; I304-G308 PolarHBondContact O-N 3.17Å; G308-S310 PolarHBondContact O-N 3.35Å
309D64.9Low68.4Low95 Ų9582.7 Ų82.751%0.50847%0.47SS..G310 helixtrans-71.6-13.4-176.4-64.8-21.6000113.2K263 C311K263-D309 WeakPolarHBondContact CE-OD1 3.47Å; K263-D309 IonicContact NZ-OD1 3.62Å; K263-D309 PolarHBondContact NZ-OD1 3.17Å; D309-C311 PolarHBondContact O-N 3.15Å
310S51.3Low67Low77 Ų7783.2 Ų83.254%0.53847%0.474SS..G310 helixtrans-83.1-4.1-176.767.80000115.5N307 G308N307-S310 PolarHBondContact O-N 3.45Å; N307-S310 PolarHBondContact O-OG 3.46Å; G308-S310 PolarHBondContact O-N 3.35Å
311C41.4Very low65.2Low94 Ų9488.4 Ų88.464%0.63550%0.503SS*.G310 helixtrans-96.9-15.1-176.2-90.10000115.3D309D309-C311 PolarHBondContact O-N 3.15Å
312D42.6Very low63.2Low106 Ų10694.1 Ų94.157%0.56754%0.536SS*.G310 helixtrans-84-12.1-173.5-71-22.3000114.1K314D312-K314 PolarHBondContact O-N 3.4Å
313D38Very low61.2Low147 Ų14793.5 Ų93.579%0.78654%0.54SS*.G310 helixtrans-77.514.9-178.6-77.4-20.2000115.4
314K35.4Very low58.7Low202 Ų20297.9 Ų97.988%0.87857%0.57SS**G310 helixtrans-124.211.6180-72.5-162.3177.8-173.30116.3D312D312-K314 PolarHBondContact O-N 3.4Å
315A31Very low55.9Low95 Ų95106.1 Ų106.179%0.78562%0.617SS**  trans-130.971.9172.700000110.7
316S32.3Very low52.9Low189 Ų189111.5 Ų111.5100%1.32264%0.643SS**  trans-140.5015625.90000109.7

Retrieved 316 of 316 residues in 98 ms (Link to these results)

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