A0A5K4F2G8_SCHMA Loading...

Diphthine--ammonia ligase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F2G8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 437 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
1M84.1Confident89.4Confident81 Ų8129.7 Ų29.740%0.39916%0.159SC..  0156.90-69.3170.1-73.100108.9H25 S26 N437M1-H25 CarbonylContact O-C 3.44Å; M1-H25 WeakPolarHBondContact O-CA 3.09Å; M1-S26 PolarHBondContact O-N 3.35Å; M1-N437 HydrophobicContact CE-CB 4.26Å
2K90.9Very high89.4Confident83 Ų8329.6 Ų29.636%0.36116%0.158SC..EExtended strand (participates in β ladder)trans-84.3126.9168.9-73178-179.8-177.60108.5S26 V28 D98 T100 A101K2-S26 WeakPolarHBondContact CA-O 3.42Å; K2-V28 HydrophobicContact CB-CG1 3.86Å; K2-V28 HydrophobicContact CB-CG2 4.39Å; K2-V28 HydrophobicContact CD-CG1 4.03Å; K2-V28 HydrophobicContact CG-CG1 3.81Å; K2-D98 HydrophobicContact CD-CB 3.66Å; K2-D98 IonicContact NZ-OD2 2.71Å; K2-D98 PolarHBondContact NZ-OD2 2.67Å; K2-T100 PolarHBondContact O-N 2.82Å; K2-T100 PolarHBondContact O-OG1 3.37Å; K2-A101 PolarHBondContact O-N 3.37Å
3F92.8Very high89.3Confident3 Ų327.6 Ų27.61%0.01315%0.148CC..EExtended strand (participates in β ladder)trans-129.4150.2-175.478.9-83.7000112.7A5 I17 C20 H25 S26 L27 V28 A101F3-A5 HydrophobicContact CD2-CB 4.44Å; F3-A5 HydrophobicContact CE2-CB 4.01Å; F3-I17 HydrophobicContact CZ-CG2 4.46Å; F3-C20 HydrophobicContact CD1-CB 4.31Å; F3-C20 HydrophobicContact CE1-CB 3.62Å; F3-C20 HydrophobicContact CE2-CB 3.83Å; F3-C20 HydrophobicContact CZ-CB 3.33Å; F3-H25 HydrophobicContact CD1-CB 3.58Å; F3-H25 HydrophobicContact CE1-CB 3.82Å; F3-S26 VanDerWaalsContact CD1-C 3.41Å; F3-S26 VanDerWaalsContact CD1-O 3.25Å; F3-S26 WeakPolarHBondContact CD1-O 3.25Å; F3-S26 VanDerWaalsContact CE1-C 3.5Å; F3-S26 PolarHBondContact N-O 2.95Å; F3-L27 HydrophobicContact CD2-CD1 4.12Å; F3-L27 HydrophobicContact CE1-CB 3.8Å; F3-L27 HydrophobicContact CE1-CD1 4.48Å; F3-L27 VanDerWaalsContact CE1-N 3.25Å; F3-L27 HydrophobicContact CE2-CB 4.39Å; F3-L27 HydrophobicContact CE2-CD1 3.64Å; F3-L27 HydrophobicContact CZ-CB 3.71Å; F3-L27 HydrophobicContact CZ-CD1 3.83Å; F3-L27 HydrophobicContact CZ-CG 4.33Å; F3-V28 WeakPolarHBondContact O-CG2 3.29Å; F3-V28 PolarHBondContact O-N 3.03Å; F3-A101 VanDerWaalsContact CA-O 3.23Å; F3-A101 WeakPolarHBondContact CA-O 2.91Å; F3-A101 HydrophobicContact CB-CB 3.83Å
4V93.6Very high89.5Confident1 Ų126.1 Ų26.11%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-99.8137.8167610000109A29 V31 L89 V92 V99 A101 V102 S103V4-A29 WeakPolarHBondContact CA-O 3.34Å; V4-A29 HydrophobicContact CB-CB 4.42Å; V4-A29 HydrophobicContact CG2-CB 3.91Å; V4-A29 WeakPolarHBondContact CG2-O 3.44Å; V4-V31 HydrophobicContact CG2-CB 4.2Å; V4-V31 HydrophobicContact CG2-CG2 3.42Å; V4-V31 VanDerWaalsContact CG2-CG2 3.42Å; V4-L89 HydrophobicContact CG1-CD2 3.83Å; V4-V92 HydrophobicContact CB-CG1 4.27Å; V4-V92 HydrophobicContact CG2-CG1 4.15Å; V4-V99 HydrophobicContact CB-CG1 4.39Å; V4-V99 HydrophobicContact CG1-CG1 4.05Å; V4-A101 PolarHBondContact N-O 3.25Å; V4-V102 HydrophobicContact CG1-CB 4.26Å; V4-V102 HydrophobicContact CG1-CG1 4.26Å; V4-V102 HydrophobicContact CG1-CG2 3.75Å; V4-V102 CarbonylContact O-C 3.59Å; V4-V102 WeakPolarHBondContact O-CA 3.35Å; V4-S103 PolarHBondContact O-N 3.4Å
5A92.1Very high89.7Confident0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-104.7128.5178.300000110.8F3 V7 I17 L27 A29 L30 V31F3-A5 HydrophobicContact CD2-CB 4.44Å; F3-A5 HydrophobicContact CE2-CB 4.01Å; A5-V7 HydrophobicContact CB-CG1 4.21Å; A5-I17 HydrophobicContact CB-CD1 3.69Å; A5-I17 HydrophobicContact CB-CG1 3.5Å; A5-I17 VanDerWaalsContact CB-CG1 3.5Å; A5-L27 HydrophobicContact CB-CD1 3.72Å; A5-A29 PolarHBondContact N-O 3.15Å; A5-L30 HydrophobicContact CB-CD2 4.04Å; A5-L30 CarbonylContact O-C 3.42Å; A5-L30 WeakPolarHBondContact O-CA 3.48Å; A5-V31 PolarHBondContact O-N 2.77Å
6L91.2Very high89.9Confident31 Ų3131.3 Ų31.316%0.16216%0.159CC..EExtended strand (participates in β ladder)trans-75.3124.7163.8-50.2-174.7000107.6V31 L85 L89 V102 S103L6-V31 WeakPolarHBondContact CA-O 3.38Å; L6-V31 HydrophobicContact CD2-CB 3.8Å; L6-V31 HydrophobicContact CD2-CG1 3.66Å; L6-L85 HydrophobicContact CD1-CD1 3.97Å; L6-L85 HydrophobicContact CD1-CD2 3.94Å; L6-L85 HydrophobicContact CD2-CD1 3.66Å; L6-L85 HydrophobicContact CG-CD1 4.47Å; L6-L89 HydrophobicContact CD2-CD2 4.24Å; L6-V102 HydrophobicContact CD1-CG1 4.17Å; L6-V102 HydrophobicContact CD2-CG1 4.01Å; L6-V102 HydrophobicContact CG-CG1 3.84Å; L6-S103 WeakPolarHBondContact CG-O 3.29Å; L6-S103 PolarHBondContact N-O 3.34Å
7V89.1Confident90.1Very high10 Ų1029.4 Ų29.46%0.06115%0.15CC..  trans-125.1139.2-175.3-68.80000111.2A5 I17 L30 V31 N32 Y51A5-V7 HydrophobicContact CB-CG1 4.21Å; V7-I17 HydrophobicContact CG1-CD1 3.61Å; V7-L30 HydrophobicContact CG1-CD2 3.85Å; V7-L30 HydrophobicContact CG2-CB 4.03Å; V7-V31 WeakPolarHBondContact CG2-O 3.27Å; V7-V31 PolarHBondContact N-O 3.06Å; V7-N32 HydrophobicContact CG2-CB 4.14Å; V7-N32 PolarHBondContact O-OD1 3.49Å; V7-Y51 HydrophobicContact CB-CE1 3.86Å; V7-Y51 HydrophobicContact CG2-CD1 3.82Å; V7-Y51 HydrophobicContact CG2-CE1 3.31Å
8S85.5Confident90.3Very high73 Ų7328.7 Ų28.751%0.5115%0.146SC..  trans-112.2-9.1170.760.60000112.4G10 S13S8-G10 PolarHBondContact O-N 2.64Å; S8-G10 PolarHBondContact OG-N 2.9Å; S8-S13 PolarHBondContact N-OG 2.86Å; S8-S13 PolarHBondContact OG-OG 3.08Å
9G85.9Confident90.5Very high3 Ų327.9 Ų27.93%0.03114%0.141CC..SBendtrans81.3-10.3-168.200000114.4M50 T164G9-M50 VanDerWaalsContact CA-SD 3.57Å; G9-T164 WeakPolarHBondContact O-CB 3.41Å; G9-T164 PolarHBondContact O-N 3.46Å; G9-T164 PolarHBondContact O-OG1 3.21Å; G9-T164 VanDerWaalsContact O-OG1 3.11Å
10G89.2Confident90.6Very high3 Ų327.6 Ų27.63%0.03114%0.141CC..SBendtrans-76.3170.1176.700000114.3S8 D12 S13 I14 T162 T164S8-G10 PolarHBondContact O-N 2.64Å; S8-G10 PolarHBondContact OG-N 2.9Å; G10-D12 VanDerWaalsContact C-N 3.28Å; G10-D12 PolarHBondContact O-N 3.13Å; G10-S13 PolarHBondContact O-OG 3.25Å; G10-I14 WeakPolarHBondContact O-CG1 3.39Å; G10-I14 PolarHBondContact O-N 3.04Å; G10-T162 WeakPolarHBondContact CA-O 3.49Å; G10-T164 PolarHBondContact O-OG1 2.96Å
11K89.5Confident90.8Very high39 Ų3926.9 Ų26.917%0.1714%0.138CC..Hα-helixtrans-56.4-38.8-17576.4-164.5-176.1-55.80113Y15 L134 C154 T162K11-Y15 WeakPolarHBondContact O-CB 3.3Å; K11-Y15 PolarHBondContact O-N 3.38Å; K11-L134 HydrophobicContact CD-CD1 3.74Å; K11-C154 WeakPolarHBondContact CE-O 3.23Å; K11-C154 PolarHBondContact NZ-O 3.34Å; K11-T162 WeakPolarHBondContact CB-OG1 3.25Å; K11-T162 HydrophobicContact CD-CG2 3.84Å; K11-T162 WeakPolarHBondContact CG-OG1 3.09Å; K11-T162 PolarHBondContact N-OG1 3.12Å
12D88.3Confident91.2Very high28 Ų2823.2 Ų23.215%0.1512%0.12CC..Hα-helixtrans-77-45.3-167.7-45.9-55.8000111.3G10 I14 Y15 N16 G105 I107G10-D12 VanDerWaalsContact C-N 3.28Å; G10-D12 PolarHBondContact O-N 3.13Å; D12-I14 VanDerWaalsContact C-N 3.35Å; D12-I14 PolarHBondContact O-N 3.39Å; D12-Y15 PolarHBondContact O-N 3.36Å; D12-N16 WeakPolarHBondContact O-CB 3.18Å; D12-N16 PolarHBondContact O-N 2.96Å; D12-G105 VanDerWaalsContact CB-O 3.25Å; D12-G105 WeakPolarHBondContact CB-O 3.32Å; D12-I107 HydrophobicContact CB-CD1 3.93Å; D12-I107 HydrophobicContact CB-CG1 4.12Å; D12-I107 WeakPolarHBondContact OD1-CD1 3.03Å
13S89Confident91.2Very high4 Ų420.9 Ų20.93%0.02811%0.111CC..Hα-helixtrans-62.9-41.6175.660.50000111.9S8 G10 N16 I17S8-S13 PolarHBondContact N-OG 2.86Å; S8-S13 PolarHBondContact OG-OG 3.08Å; G10-S13 PolarHBondContact O-OG 3.25Å; S13-N16 PolarHBondContact O-N 3.46Å; S13-I17 WeakPolarHBondContact O-CG1 3.28Å; S13-I17 PolarHBondContact O-N 3.38Å
14I92.4Very high91.1Very high6 Ų622.9 Ų22.93%0.03113%0.131CC..Hα-helixtrans-70.9-41.6178.2-60-57.9000112G10 D12 N16 I17 M18 T164 C167 I169 F170G10-I14 WeakPolarHBondContact O-CG1 3.39Å; G10-I14 PolarHBondContact O-N 3.04Å; D12-I14 VanDerWaalsContact C-N 3.35Å; D12-I14 PolarHBondContact O-N 3.39Å; I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 3.3Å; I14-I17 HydrophobicContact CD1-CD1 4.34Å; I14-I17 PolarHBondContact O-N 3.36Å; I14-M18 HydrophobicContact CG2-CE 4.36Å; I14-M18 PolarHBondContact O-N 2.93Å; I14-T164 HydrophobicContact CB-CG2 4.4Å; I14-T164 HydrophobicContact CG1-CG2 4.38Å; I14-T164 HydrophobicContact CG2-CG2 4.01Å; I14-C167 HydrophobicContact CG2-CB 4.09Å; I14-C167 WeakPolarHBondContact CG2-SG 3.4Å; I14-I169 HydrophobicContact CG2-CD1 4.14Å; I14-F170 HydrophobicContact CD1-CE1 4.12Å; I14-F170 HydrophobicContact CD1-CZ 4.12Å; I14-F170 HydrophobicContact CG1-CZ 4.47Å; I14-F170 HydrophobicContact CG2-CE1 4.39Å; I14-F170 HydrophobicContact CG2-CZ 4.44Å
15Y92.4Very high91Very high93 Ų9323.9 Ų23.937%0.36514%0.136SC..Hα-helixtrans-63.2-39.6175.1-174.8-97.8000111.8K11 D12 I17 M18 E19 F239K11-Y15 WeakPolarHBondContact O-CB 3.3Å; K11-Y15 PolarHBondContact O-N 3.38Å; D12-Y15 PolarHBondContact O-N 3.36Å; Y15-I17 VanDerWaalsContact C-N 3.34Å; Y15-I17 PolarHBondContact O-N 2.92Å; Y15-M18 HydrophobicContact CD2-CE 4.06Å; Y15-M18 WeakPolarHBondContact O-CB 3.19Å; Y15-M18 PolarHBondContact O-N 2.67Å; Y15-M18 VanDerWaalsContact O-N 3.16Å; Y15-E19 HydrophobicContact CD1-CG 3.88Å; Y15-E19 HydrophobicContact CE1-CG 3.37Å; Y15-E19 PolarHBondContact O-N 3.08Å; Y15-E19 PolarHBondContact OH-OE1 3.45Å; Y15-F239 HydrophobicContact CD2-CE1 4.34Å; Y15-F239 HydrophobicContact CE2-CD1 4.48Å; Y15-F239 AromaticContact CE2-CE1 3.65Å; Y15-F239 HydrophobicContact CE2-CE1 3.65Å; Y15-F239 HydrophobicContact CE2-CZ 4.1Å; Y15-F239 AromaticContact CZ-CE1 3.98Å
16N92Very high91Very high42 Ų4227.2 Ų27.223%0.22516%0.16CC..Hα-helixtrans-62.8-39.1177.5-172-84.3000112.6D12 S13 I14 M18 E19 C20 S103D12-N16 WeakPolarHBondContact O-CB 3.18Å; D12-N16 PolarHBondContact O-N 2.96Å; S13-N16 PolarHBondContact O-N 3.46Å; I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 3.3Å; N16-M18 VanDerWaalsContact C-N 3.32Å; N16-M18 PolarHBondContact O-N 3.47Å; N16-E19 WeakPolarHBondContact O-CB 3.27Å; N16-E19 PolarHBondContact O-N 3.16Å; N16-C20 PolarHBondContact O-N 3.39Å; N16-C20 PolarHBondContact O-SG 3.1Å; N16-C20 VanDerWaalsContact O-SG 3.36Å; N16-S103 WeakPolarHBondContact OD1-CB 3.14Å; N16-S103 PolarHBondContact OD1-OG 3.16Å
17I93.4Very high91.2Very high0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-57.4-47.8172.7-70.3167000110.9F3 A5 V7 S13 I14 Y15 E19 C20 I21 L27 L30 I169F3-I17 HydrophobicContact CZ-CG2 4.46Å; A5-I17 HydrophobicContact CB-CD1 3.69Å; A5-I17 HydrophobicContact CB-CG1 3.5Å; A5-I17 VanDerWaalsContact CB-CG1 3.5Å; V7-I17 HydrophobicContact CG1-CD1 3.61Å; S13-I17 WeakPolarHBondContact O-CG1 3.28Å; S13-I17 PolarHBondContact O-N 3.38Å; I14-I17 HydrophobicContact CD1-CD1 4.34Å; I14-I17 PolarHBondContact O-N 3.36Å; Y15-I17 VanDerWaalsContact C-N 3.34Å; Y15-I17 PolarHBondContact O-N 2.92Å; I17-E19 VanDerWaalsContact C-N 3.34Å; I17-E19 PolarHBondContact O-N 2.74Å; I17-C20 PolarHBondContact O-N 2.94Å; I17-I21 HydrophobicContact CG2-CD1 4.01Å; I17-I21 WeakPolarHBondContact O-CG1 3.46Å; I17-I21 PolarHBondContact O-N 3.34Å; I17-L27 HydrophobicContact CG2-CD2 3.69Å; I17-L30 HydrophobicContact CD1-CD2 3.93Å; I17-I169 HydrophobicContact CB-CD1 4.13Å; I17-I169 HydrophobicContact CD1-CD1 4.35Å; I17-I169 HydrophobicContact CG2-CD1 3.63Å; I17-I169 HydrophobicContact CG2-CG2 4.48Å
18M94.3Very high91.4Very high16 Ų1627.8 Ų27.88%0.07916%0.163CC..Hα-helixtrans-62.2-43.4179.5-67.3-173.7-72.600111.4I14 Y15 N16 I21 V22 C167 P168 I169 F218 F239I14-M18 HydrophobicContact CG2-CE 4.36Å; I14-M18 PolarHBondContact O-N 2.93Å; Y15-M18 HydrophobicContact CD2-CE 4.06Å; Y15-M18 WeakPolarHBondContact O-CB 3.19Å; Y15-M18 PolarHBondContact O-N 2.67Å; Y15-M18 VanDerWaalsContact O-N 3.16Å; N16-M18 VanDerWaalsContact C-N 3.32Å; N16-M18 PolarHBondContact O-N 3.47Å; M18-I21 PolarHBondContact O-N 2.82Å; M18-V22 WeakPolarHBondContact O-CG2 3.45Å; M18-V22 PolarHBondContact O-N 3.06Å; M18-C167 HydrophobicContact CE-CB 4.43Å; M18-C167 HydrophobicContact SD-CB 4.36Å; M18-P168 HydrophobicContact SD-CG 4.38Å; M18-I169 HydrophobicContact CG-CG1 4.4Å; M18-I169 HydrophobicContact CG-CG2 3.74Å; M18-F218 HydrophobicContact CB-CD1 4.32Å; M18-F218 HydrophobicContact CB-CE1 3.95Å; M18-F218 HydrophobicContact CB-CZ 4.48Å; M18-F218 HydrophobicContact CG-CD1 4.46Å; M18-F218 HydrophobicContact CG-CE1 3.64Å; M18-F218 HydrophobicContact CG-CZ 4.08Å; M18-F218 HydrophobicContact SD-CE1 3.75Å; M18-F239 HydrophobicContact CB-CE1 3.85Å; M18-F239 HydrophobicContact CB-CZ 3.72Å; M18-F239 HydrophobicContact CE-CZ 4.31Å; M18-F239 HydrophobicContact CG-CZ 4.45Å; M18-F239 HydrophobicContact SD-CZ 4.04Å
19E92.9Very high91.8Very high14 Ų1424.3 Ų24.37%0.06514%0.139CC..Hα-helixtrans-58.2-48.9173.3-78.6-76.4154.800111.6Y15 N16 I17 I21 V22 H23 F239 R245Y15-E19 HydrophobicContact CD1-CG 3.88Å; Y15-E19 HydrophobicContact CE1-CG 3.37Å; Y15-E19 PolarHBondContact O-N 3.08Å; Y15-E19 PolarHBondContact OH-OE1 3.45Å; N16-E19 WeakPolarHBondContact O-CB 3.27Å; N16-E19 PolarHBondContact O-N 3.16Å; I17-E19 VanDerWaalsContact C-N 3.34Å; I17-E19 PolarHBondContact O-N 2.74Å; E19-I21 PolarHBondContact O-N 3.06Å; E19-V22 WeakPolarHBondContact O-CA 3.04Å; E19-V22 WeakPolarHBondContact O-CB 3.46Å; E19-V22 PolarHBondContact O-N 3.41Å; E19-H23 PolarHBondContact O-CD2 3.48Å; E19-H23 PolarHBondContact O-N 3.1Å; E19-H23 IonicContact OE2-CD2 3.96Å; E19-H23 IonicContact OE2-NE2 3.47Å; E19-H23 PolarHBondContact OE2-NE2 3.16Å; E19-F239 HydrophobicContact CG-CE1 4.45Å; E19-R245 VanDerWaalsContact CD-NH2 3.33Å; E19-R245 IonicContact OE1-NH2 3.47Å; E19-R245 PolarHBondContact OE1-NH2 3.24Å; E19-R245 VanDerWaalsContact OE1-NH2 3.16Å; E19-R245 IonicContact OE2-CZ 2.92Å; E19-R245 IonicContact OE2-NH1 2.72Å; E19-R245 PolarHBondContact OE2-NH1 3.19Å; E19-R245 IonicContact OE2-NH2 3.66Å; E19-R245 PolarHBondContact OE2-NH2 3.41Å
20C92.6Very high92.2Very high21 Ų2124.2 Ų24.214%0.14214%0.138CC..Hα-helixtrans-56.3-39.8176.5-72.10000112.3F3 N16 I17 H23 G24 H25F3-C20 HydrophobicContact CD1-CB 4.31Å; F3-C20 HydrophobicContact CE1-CB 3.62Å; F3-C20 HydrophobicContact CE2-CB 3.83Å; F3-C20 HydrophobicContact CZ-CB 3.33Å; N16-C20 PolarHBondContact O-N 3.39Å; N16-C20 PolarHBondContact O-SG 3.1Å; N16-C20 VanDerWaalsContact O-SG 3.36Å; I17-C20 PolarHBondContact O-N 2.94Å; C20-H23 CarbonylContact O-C 3.53Å; C20-H23 PolarHBondContact O-N 2.99Å; C20-G24 PolarHBondContact O-N 3.07Å; C20-H25 HydrophobicContact CB-CB 4.32Å; C20-H25 WeakPolarHBondContact O-CA 3.1Å; C20-H25 WeakPolarHBondContact O-CB 3.42Å; C20-H25 PolarHBondContact O-N 2.72Å
21I94.6Very high92.3Very high13 Ų1324.2 Ų24.27%0.06714%0.137CC..Hα-helixtrans-66.7-42175.6-63165.2000111I17 M18 E19 H23 G24 I169 P215 F218I17-I21 HydrophobicContact CG2-CD1 4.01Å; I17-I21 WeakPolarHBondContact O-CG1 3.46Å; I17-I21 PolarHBondContact O-N 3.34Å; M18-I21 PolarHBondContact O-N 2.82Å; E19-I21 PolarHBondContact O-N 3.06Å; I21-H23 PolarHBondContact O-N 3.38Å; I21-G24 WeakPolarHBondContact O-CA 3.24Å; I21-G24 PolarHBondContact O-N 3.27Å; I21-I169 HydrophobicContact CD1-CG2 3.82Å; I21-P215 WeakPolarHBondContact O-CG 3Å; I21-F218 HydrophobicContact CB-CD2 4.29Å; I21-F218 HydrophobicContact CB-CE2 4.12Å; I21-F218 HydrophobicContact CD1-CE2 4.17Å; I21-F218 HydrophobicContact CG2-CD2 3.74Å; I21-F218 HydrophobicContact CG2-CE2 3.67Å
22V93.5Very high92.3Very high4 Ų422.8 Ų22.82%0.02413%0.131CC..Hα-helixtrans-58.6-34.3173.8170.60000111.9M18 E19 G24 F218 L219 F239M18-V22 WeakPolarHBondContact O-CG2 3.45Å; M18-V22 PolarHBondContact O-N 3.06Å; E19-V22 WeakPolarHBondContact O-CA 3.04Å; E19-V22 WeakPolarHBondContact O-CB 3.46Å; E19-V22 PolarHBondContact O-N 3.41Å; V22-G24 PolarHBondContact O-N 3.46Å; V22-F218 HydrophobicContact CG2-CB 3.4Å; V22-F218 HydrophobicContact CG2-CD2 4.46Å; V22-F218 HydrophobicContact CG2-CG 3.94Å; V22-L219 HydrophobicContact CG1-CD2 4Å; V22-L219 HydrophobicContact CG1-CG 4.34Å; V22-F239 HydrophobicContact CG1-CB 4.38Å; V22-F239 HydrophobicContact CG2-CB 3.95Å; V22-F239 HydrophobicContact CG2-CD1 3.81Å; V22-F239 HydrophobicContact CG2-CD2 4.46Å; V22-F239 HydrophobicContact CG2-CE1 4.47Å; V22-F239 HydrophobicContact CG2-CG 3.8Å
23H90.1Very high92.1Very high35 Ų3523.7 Ų23.716%0.16214%0.136CC..THydrogen-bonded Turntrans-78.211.5172.6-69.2-74.3000113.8E19 C20 I21 H25 P242 R245E19-H23 PolarHBondContact O-CD2 3.48Å; E19-H23 PolarHBondContact O-N 3.1Å; E19-H23 IonicContact OE2-CD2 3.96Å; E19-H23 IonicContact OE2-NE2 3.47Å; E19-H23 PolarHBondContact OE2-NE2 3.16Å; C20-H23 CarbonylContact O-C 3.53Å; C20-H23 PolarHBondContact O-N 2.99Å; I21-H23 PolarHBondContact O-N 3.38Å; H23-H25 VanDerWaalsContact C-N 3.31Å; H23-H25 PolarHBondContact O-N 3.02Å; H23-H25 PolarHBondContact O-ND1 3.43Å; H23-P242 WeakPolarHBondContact ND1-CG 3.25Å; H23-R245 PolarHBondContact NE2-NH1 3.13Å
24G90.8Very high91.7Very high44 Ų4424.6 Ų24.645%0.45414%0.142SC..THydrogen-bonded Turntrans72.722.3176.700000113.7C20 I21 V22C20-G24 PolarHBondContact O-N 3.07Å; I21-G24 WeakPolarHBondContact O-CA 3.24Å; I21-G24 PolarHBondContact O-N 3.27Å; V22-G24 PolarHBondContact O-N 3.46Å
25H91.6Very high90.9Very high23 Ų2328.5 Ų28.511%0.10617%0.168CC..  trans-90.6150.6172.4-52.4-15.6000110.9M1 F3 C20 H23M1-H25 CarbonylContact O-C 3.44Å; M1-H25 WeakPolarHBondContact O-CA 3.09Å; F3-H25 HydrophobicContact CD1-CB 3.58Å; F3-H25 HydrophobicContact CE1-CB 3.82Å; C20-H25 HydrophobicContact CB-CB 4.32Å; C20-H25 WeakPolarHBondContact O-CA 3.1Å; C20-H25 WeakPolarHBondContact O-CB 3.42Å; C20-H25 PolarHBondContact O-N 2.72Å; H23-H25 VanDerWaalsContact C-N 3.31Å; H23-H25 PolarHBondContact O-N 3.02Å; H23-H25 PolarHBondContact O-ND1 3.43Å
26S93.5Very high89.9Confident70 Ų7027.7 Ų27.749%0.4917%0.174SC..EExtended strand (participates in β ladder)trans-108.4114.9-176.5-52.50000109.6M1 K2 F3 V28M1-S26 PolarHBondContact O-N 3.35Å; K2-S26 WeakPolarHBondContact CA-O 3.42Å; F3-S26 VanDerWaalsContact CD1-C 3.41Å; F3-S26 VanDerWaalsContact CD1-O 3.25Å; F3-S26 WeakPolarHBondContact CD1-O 3.25Å; F3-S26 VanDerWaalsContact CE1-C 3.5Å; F3-S26 PolarHBondContact N-O 2.95Å; S26-V28 PolarHBondContact O-N 3.47Å
27L94.4Very high88.6Confident24 Ų2432.5 Ų32.513%0.12619%0.192CC..EExtended strand (participates in β ladder)trans-69.6126.8174.3178.363.8000109.4F3 A5 I17 A29 L30 V54 I56F3-L27 HydrophobicContact CD2-CD1 4.12Å; F3-L27 HydrophobicContact CE1-CB 3.8Å; F3-L27 HydrophobicContact CE1-CD1 4.48Å; F3-L27 VanDerWaalsContact CE1-N 3.25Å; F3-L27 HydrophobicContact CE2-CB 4.39Å; F3-L27 HydrophobicContact CE2-CD1 3.64Å; F3-L27 HydrophobicContact CZ-CB 3.71Å; F3-L27 HydrophobicContact CZ-CD1 3.83Å; F3-L27 HydrophobicContact CZ-CG 4.33Å; A5-L27 HydrophobicContact CB-CD1 3.72Å; I17-L27 HydrophobicContact CG2-CD2 3.69Å; L27-A29 WeakPolarHBondContact CD1-O 3.49Å; L27-L30 HydrophobicContact CD1-CD2 4.08Å; L27-L30 HydrophobicContact CD2-CD2 3.91Å; L27-L30 HydrophobicContact CG-CD2 4.49Å; L27-V54 HydrophobicContact CD2-CG1 4.19Å; L27-I56 HydrophobicContact CB-CD1 4.17Å; L27-I56 HydrophobicContact CD2-CD1 3.59Å; L27-I56 HydrophobicContact CG-CD1 3.74Å; L27-I56 HydrophobicContact CG-CG2 4.49Å
28V94.1Very high86.4Confident29 Ų2936.8 Ų36.818%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-120.2-21.2-179.6-60.50000114.6K2 F3 S26 I56 I96 V99K2-V28 HydrophobicContact CB-CG1 3.86Å; K2-V28 HydrophobicContact CB-CG2 4.39Å; K2-V28 HydrophobicContact CD-CG1 4.03Å; K2-V28 HydrophobicContact CG-CG1 3.81Å; F3-V28 WeakPolarHBondContact O-CG2 3.29Å; F3-V28 PolarHBondContact O-N 3.03Å; S26-V28 PolarHBondContact O-N 3.47Å; V28-I56 WeakPolarHBondContact O-CG2 3.29Å; V28-I96 HydrophobicContact CG2-CG2 4.3Å; V28-V99 HydrophobicContact CG2-CG2 3.44Å; V28-V99 VanDerWaalsContact CG2-CG2 3.44Å
29A93.8Very high84.2Confident0 Ų041.2 Ų41.20%025%0.254CS..EExtended strand (participates in β ladder)trans-156154.5178.100000110.8V4 A5 L27 P57 Y59 V92 I96V4-A29 WeakPolarHBondContact CA-O 3.34Å; V4-A29 HydrophobicContact CB-CB 4.42Å; V4-A29 HydrophobicContact CG2-CB 3.91Å; V4-A29 WeakPolarHBondContact CG2-O 3.44Å; A5-A29 PolarHBondContact N-O 3.15Å; L27-A29 WeakPolarHBondContact CD1-O 3.49Å; A29-P57 WeakPolarHBondContact CA-O 3.46Å; A29-Y59 HydrophobicContact CB-CD2 3.95Å; A29-Y59 HydrophobicContact CB-CE2 3.81Å; A29-V92 HydrophobicContact CB-CG1 4.3Å; A29-I96 HydrophobicContact CB-CD1 3.94Å
30L93.4Very high82.1Confident1 Ų146.2 Ų46.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-107.5143.2168.1-58.2-179.6000109.1A5 V7 I17 L27 Y51 V54 P57 L58 Y59A5-L30 HydrophobicContact CB-CD2 4.04Å; A5-L30 CarbonylContact O-C 3.42Å; A5-L30 WeakPolarHBondContact O-CA 3.48Å; V7-L30 HydrophobicContact CG1-CD2 3.85Å; V7-L30 HydrophobicContact CG2-CB 4.03Å; I17-L30 HydrophobicContact CD1-CD2 3.93Å; L27-L30 HydrophobicContact CD1-CD2 4.08Å; L27-L30 HydrophobicContact CD2-CD2 3.91Å; L27-L30 HydrophobicContact CG-CD2 4.49Å; L30-Y51 HydrophobicContact CD1-CD1 4.24Å; L30-V54 HydrophobicContact CD1-CB 3.95Å; L30-V54 HydrophobicContact CD1-CG1 4.21Å; L30-V54 HydrophobicContact CD1-CG2 3.87Å; L30-P57 PolarHBondContact N-O 3.29Å; L30-L58 HydrophobicContact CB-CD1 3.74Å; L30-Y59 PolarHBondContact O-N 2.86Å
31V91.2Very high79.8Confident2 Ų252 Ų521%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-125.4128.5174.4165.50000108.7V4 A5 L6 V7 Y59 L85 I88 L89 V92V4-V31 HydrophobicContact CG2-CB 4.2Å; V4-V31 HydrophobicContact CG2-CG2 3.42Å; V4-V31 VanDerWaalsContact CG2-CG2 3.42Å; A5-V31 PolarHBondContact O-N 2.77Å; L6-V31 WeakPolarHBondContact CA-O 3.38Å; L6-V31 HydrophobicContact CD2-CB 3.8Å; L6-V31 HydrophobicContact CD2-CG1 3.66Å; V7-V31 WeakPolarHBondContact CG2-O 3.27Å; V7-V31 PolarHBondContact N-O 3.06Å; V31-Y59 CarbonylContact C-O 3.25Å; V31-Y59 WeakPolarHBondContact CA-O 3.15Å; V31-L85 HydrophobicContact CG1-CD1 4.37Å; V31-I88 HydrophobicContact CG1-CD1 3.97Å; V31-I88 HydrophobicContact CG1-CG1 4.24Å; V31-I88 HydrophobicContact CG1-CG2 3.73Å; V31-L89 HydrophobicContact CG2-CD2 4.35Å; V31-V92 HydrophobicContact CG2-CG2 3.64Å
32N89.5Confident77.7Confident9 Ų957.2 Ų57.25%0.04834%0.335CS..EExtended strand (participates in β ladder)trans-132.9128.3175.8177.279000109.9V7 Y51 L58 Y59 Q60 M61V7-N32 HydrophobicContact CG2-CB 4.14Å; V7-N32 PolarHBondContact O-OD1 3.49Å; N32-Y51 HydrophobicContact CB-CE2 3.96Å; N32-Y51 PolarHBondContact OD1-OH 2.81Å; N32-L58 HydrophobicContact CB-CD1 4.2Å; N32-Y59 PolarHBondContact N-O 3.47Å; N32-Q60 HydrophobicContact CB-CG 3.94Å; N32-Q60 PolarHBondContact ND2-NE2 3.31Å; N32-Q60 WeakPolarHBondContact O-CA 3.48Å; N32-M61 PolarHBondContact O-N 3.08Å
33L83.7Confident75.5Confident48 Ų4861.5 Ų61.525%0.25136%0.361SS..EExtended strand (participates in β ladder)trans-92.1120.5167.5-69.1174.6000108.1M61 L63 D84 L85 I88L33-M61 WeakPolarHBondContact CA-O 3.34Å; L33-M61 HydrophobicContact CD2-CB 4.08Å; L33-M61 HydrophobicContact CD2-CE 4.09Å; L33-L63 HydrophobicContact CB-CD2 4Å; L33-L63 HydrophobicContact CB-CG 4.15Å; L33-L63 HydrophobicContact CD1-CD2 3.9Å; L33-L63 HydrophobicContact CD2-CD2 4.43Å; L33-L63 HydrophobicContact CG-CD2 4.33Å; L33-D84 HydrophobicContact CD2-CB 4.31Å; L33-L85 HydrophobicContact CD1-CB 3.9Å; L33-L85 HydrophobicContact CD1-CD1 4.15Å; L33-I88 HydrophobicContact CD2-CG2 4.2Å
34C80.7Confident73.7Confident22 Ų2262.5 Ų62.515%0.14937%0.372CS..EExtended strand (participates in β ladder)trans-102.1148.9178.150.10000110.9M61 E62 L63C34-M61 PolarHBondContact N-O 3.45Å; C34-M61 PolarHBondContact SG-O 2.92Å; C34-E62 CarbonylContact O-C 3.38Å; C34-E62 WeakPolarHBondContact O-CA 3.46Å; C34-L63 PolarHBondContact O-N 3.48Å
35P76.1Confident71.9Confident89 Ų8964.9 Ų64.958%0.57837%0.371SS*.PPolyproline II helixtrans-59.8153.817125.6-33000110.4K37P35-K37 PolarHBondContact O-N 3.09Å
36P71.2Confident70.1Confident75 Ų7565.6 Ų65.649%0.48738%0.376SS..PPolyproline II helixtrans-52.9139.7171.6-15.924.3000109.4C38 L63P36-C38 VanDerWaalsContact C-N 3.34Å; P36-C38 PolarHBondContact O-N 2.75Å; P36-L63 WeakPolarHBondContact CG-O 3.4Å
37K64.7Low68.6Low143 Ų14363.9 Ų63.962%0.62236%0.361SS*.  trans-61.399.4172.3-68-179.6-175-1780108.7P35 S39 E62P35-K37 PolarHBondContact O-N 3.09Å; K37-S39 PolarHBondContact O-N 2.77Å; K37-E62 WeakPolarHBondContact CE-OE1 3.39Å
38C47.7Very low66.9Low90 Ų9065 Ų6561%0.60837%0.371SS*.  trans-56.3139.4158-70.40000106.3P36 D40P36-C38 VanDerWaalsContact C-N 3.34Å; P36-C38 PolarHBondContact O-N 2.75Å; C38-D40 CarbonylContact O-C 3.58Å; C38-D40 PolarHBondContact O-N 3.35Å
39S48.3Very low65.2Low109 Ų10967 Ų6776%0.76238%0.376SS*.SBendtrans-51.5-6.7-173.345.70000116.3K37 N41K37-S39 PolarHBondContact O-N 2.77Å; S39-N41 PolarHBondContact O-N 3.14Å
40D48.1Very low63.5Low120 Ų12067.4 Ų67.464%0.64238%0.378SS*.  trans-89.197.1173.5-57.8-25.1000108.6C38 E42C38-D40 CarbonylContact O-C 3.58Å; C38-D40 PolarHBondContact O-N 3.35Å; D40-E42 PolarHBondContact O-N 3.49Å
41N44.5Very low62.2Low142 Ų14267.6 Ų67.676%0.75938%0.379SS*.THydrogen-bonded Turntrans-54.69.1-176.3-74.2-38.7000116.7S39S39-N41 PolarHBondContact O-N 3.14Å
42E49.9Very low61Low122 Ų12273.6 Ų73.657%0.5741%0.407SS*.THydrogen-bonded Turntrans-102.5-18-166.5-65.3-167.8178.800115.5D40 R199D40-E42 PolarHBondContact O-N 3.49Å; E42-R199 IonicContact OE2-CZ 2.83Å; E42-R199 IonicContact OE2-NH2 2.7Å; E42-R199 PolarHBondContact OE2-NH2 3.48Å
43T49Very low59.9Low95 Ų9573.2 Ų73.258%0.58340%0.404SS*.THydrogen-bonded Turntrans-82.6-13.6-17441.60000114.8E45T43-E45 PolarHBondContact O-N 2.86Å
44S51.1Low59.3Low56 Ų5671 Ų7139%0.39239%0.393SS..THydrogen-bonded Turntrans-84.6-2.1-169.664.80000116.4
45E52.6Low59.1Low93 Ų9372.4 Ų72.444%0.43541%0.411SS..Hα-helixtrans-71.9-39.6-170.9-71.5-167.8169.800113.6T43 D47 S48 Y49T43-E45 PolarHBondContact O-N 2.86Å; E45-D47 PolarHBondContact O-N 2.83Å; E45-S48 PolarHBondContact O-N 2.91Å; E45-Y49 HydrophobicContact CB-CE2 4.31Å; E45-Y49 WeakPolarHBondContact O-CD2 3.39Å; E45-Y49 PolarHBondContact O-N 2.75Å
46I55.7Low59.5Low39 Ų3969.7 Ų69.720%0.239%0.391CS..Hα-helixtrans-64.9-43.3-169.2-167.2161.1000113.4S48 Y49 M50 V163 L198 L201I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 2.81Å; I46-Y49 PolarHBondContact O-N 2.8Å; I46-M50 HydrophobicContact CG1-CE 4.23Å; I46-M50 HydrophobicContact CG1-CG 4.27Å; I46-M50 HydrophobicContact CG1-SD 4.23Å; I46-M50 HydrophobicContact CG2-CE 4.44Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 3.16Å; I46-V163 HydrophobicContact CD1-CG2 3.88Å; I46-L198 HydrophobicContact CD1-CB 4.03Å; I46-L198 HydrophobicContact CD1-CD1 3.31Å; I46-L198 HydrophobicContact CD1-CG 3.87Å; I46-L201 HydrophobicContact CB-CD1 4.05Å; I46-L201 HydrophobicContact CD1-CD1 4.27Å; I46-L201 HydrophobicContact CG1-CD1 3.73Å
47D60.7Low60.4Low33 Ų3369.6 Ų69.618%0.17639%0.391CS..Hα-helixtrans-54.2-48.1178.5-75.60.5000110.5E45 Y49 M50 Y51E45-D47 PolarHBondContact O-N 2.83Å; D47-Y49 VanDerWaalsContact C-N 3.34Å; D47-Y49 PolarHBondContact O-N 3.43Å; D47-M50 PolarHBondContact O-N 2.82Å; D47-M50 WeakPolarHBondContact OD1-CE 3.18Å; D47-Y51 VanDerWaalsContact C-CD2 3.5Å; D47-Y51 HydrophobicContact CB-CD2 4.26Å; D47-Y51 HydrophobicContact CB-CE2 3.68Å; D47-Y51 WeakPolarHBondContact O-CD2 3.5Å; D47-Y51 VanDerWaalsContact O-CE2 3.29Å; D47-Y51 WeakPolarHBondContact O-CE2 3.41Å; D47-Y51 VanDerWaalsContact O-CG 3.31Å; D47-Y51 PolarHBondContact O-N 3.34Å; D47-Y51 VanDerWaalsContact O-N 3.15Å
48S59.5Low61.6Low49 Ų4965.4 Ų65.434%0.34338%0.375SS..Hα-helixtrans-59.3-43-177.6-60.60000112.5E45 I46 Q52E45-S48 PolarHBondContact O-N 2.91Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 2.81Å; S48-Q52 VanDerWaalsContact O-CG 3.26Å; S48-Q52 WeakPolarHBondContact O-CG 3.33Å; S48-Q52 PolarHBondContact O-N 2.89Å
49Y57Low63.6Low71 Ų7162.1 Ų62.128%0.27835%0.35SS..Hα-helixtrans-70.5-41.2178.5-70.2-69.9000112.2E45 I46 D47 Y51 S53 L201 L203E45-Y49 HydrophobicContact CB-CE2 4.31Å; E45-Y49 WeakPolarHBondContact O-CD2 3.39Å; E45-Y49 PolarHBondContact O-N 2.75Å; I46-Y49 PolarHBondContact O-N 2.8Å; D47-Y49 VanDerWaalsContact C-N 3.34Å; D47-Y49 PolarHBondContact O-N 3.43Å; Y49-Y51 PolarHBondContact O-N 3.32Å; Y49-S53 PolarHBondContact O-N 3.16Å; Y49-L201 HydrophobicContact CD2-CB 3.73Å; Y49-L201 HydrophobicContact CD2-CD1 3.94Å; Y49-L201 HydrophobicContact CD2-CG 4.38Å; Y49-L201 HydrophobicContact CE2-CB 4Å; Y49-L201 HydrophobicContact CG-CB 4.07Å; Y49-L201 HydrophobicContact CG-CD1 4.48Å; Y49-L203 HydrophobicContact CD1-CD1 4.07Å; Y49-L203 HydrophobicContact CD1-CD2 4.28Å; Y49-L203 HydrophobicContact CD1-CG 3.79Å; Y49-L203 WeakPolarHBondContact O-CD2 3.46Å
50M58.6Low65.5Low8 Ų860.2 Ų60.24%0.03933%0.329CS..Hα-helixtrans-57.4-39.3178.1-72.6-171.1-57.600112G9 I46 D47 S53 V163 I174G9-M50 VanDerWaalsContact CA-SD 3.57Å; I46-M50 HydrophobicContact CG1-CE 4.23Å; I46-M50 HydrophobicContact CG1-CG 4.27Å; I46-M50 HydrophobicContact CG1-SD 4.23Å; I46-M50 HydrophobicContact CG2-CE 4.44Å; I46-M50 WeakPolarHBondContact O-CG 3.45Å; I46-M50 PolarHBondContact O-N 3.16Å; D47-M50 PolarHBondContact O-N 2.82Å; D47-M50 WeakPolarHBondContact OD1-CE 3.18Å; M50-S53 WeakPolarHBondContact O-CB 3.39Å; M50-S53 PolarHBondContact O-OG 3.28Å; M50-V163 HydrophobicContact SD-CG2 3.76Å; M50-I174 HydrophobicContact CB-CD1 4.1Å; M50-I174 HydrophobicContact CG-CD1 3.51Å
51Y65.6Low67.3Low5 Ų555.9 Ų55.92%0.0231%0.305CS..Hα-helixtrans-88.7-30.7-172.6-56.3-45.6000113.8V7 L30 N32 D47 Y49 S53 V54 L58V7-Y51 HydrophobicContact CB-CE1 3.86Å; V7-Y51 HydrophobicContact CG2-CD1 3.82Å; V7-Y51 HydrophobicContact CG2-CE1 3.31Å; L30-Y51 HydrophobicContact CD1-CD1 4.24Å; N32-Y51 HydrophobicContact CB-CE2 3.96Å; N32-Y51 PolarHBondContact OD1-OH 2.81Å; D47-Y51 VanDerWaalsContact C-CD2 3.5Å; D47-Y51 HydrophobicContact CB-CD2 4.26Å; D47-Y51 HydrophobicContact CB-CE2 3.68Å; D47-Y51 WeakPolarHBondContact O-CD2 3.5Å; D47-Y51 VanDerWaalsContact O-CE2 3.29Å; D47-Y51 WeakPolarHBondContact O-CE2 3.41Å; D47-Y51 VanDerWaalsContact O-CG 3.31Å; D47-Y51 PolarHBondContact O-N 3.34Å; D47-Y51 VanDerWaalsContact O-N 3.15Å; Y49-Y51 PolarHBondContact O-N 3.32Å; Y51-S53 PolarHBondContact O-N 3.44Å; Y51-V54 PolarHBondContact O-N 3.21Å; Y51-L58 VanDerWaalsContact CB-CD2 3.47Å; Y51-L58 HydrophobicContact CD1-CD1 4.13Å; Y51-L58 HydrophobicContact CD2-CD1 3.78Å; Y51-L58 HydrophobicContact CD2-CD2 3.4Å; Y51-L58 VanDerWaalsContact CD2-CD2 3.4Å; Y51-L58 HydrophobicContact CD2-CG 4.21Å; Y51-L58 HydrophobicContact CE2-CD1 4.39Å; Y51-L58 HydrophobicContact CE2-CD2 4.43Å; Y51-L58 HydrophobicContact CG-CD1 3.65Å; Y51-L58 HydrophobicContact CG-CD2 3.69Å; Y51-L58 HydrophobicContact CG-CG 4.23Å
52Q65.9Low69.3Low128 Ų12852.9 Ų52.960%0.59829%0.287SS*.Hα-helixtrans-62-26.2171-74.617612.300112.1S48 V54 G55 L203S48-Q52 VanDerWaalsContact O-CG 3.26Å; S48-Q52 WeakPolarHBondContact O-CG 3.33Å; S48-Q52 PolarHBondContact O-N 2.89Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; Q52-V54 PolarHBondContact O-N 2.82Å; Q52-G55 PolarHBondContact O-N 3.49Å; Q52-L203 HydrophobicContact CB-CD1 3.77Å
53S66.8Low70.8Confident0 Ų049.3 Ų49.30%027%0.271CS..THydrogen-bonded Turntrans-62.9-33.4178.278.70000113.5Y49 M50 Y51 F170 N171 S172Y49-S53 PolarHBondContact O-N 3.16Å; M50-S53 WeakPolarHBondContact O-CB 3.39Å; M50-S53 PolarHBondContact O-OG 3.28Å; Y51-S53 PolarHBondContact O-N 3.44Å; S53-F170 CarbonylContact O-C 3.56Å; S53-F170 VanDerWaalsContact OG-CD1 3.28Å; S53-F170 WeakPolarHBondContact OG-CD1 3.14Å; S53-F170 VanDerWaalsContact OG-CD2 3.31Å; S53-F170 WeakPolarHBondContact OG-CD2 2.96Å; S53-F170 WeakPolarHBondContact OG-CG 3.45Å; S53-N171 WeakPolarHBondContact O-CA 3.38Å; S53-N171 VanDerWaalsContact O-CB 3.3Å; S53-N171 WeakPolarHBondContact O-CB 3.41Å; S53-N171 PolarHBondContact O-N 3.24Å; S53-S172 VanDerWaalsContact CB-O 3.27Å; S53-S172 WeakPolarHBondContact CB-O 3.4Å
54V71.8Confident72.3Confident2 Ų254 Ų541%0.01228%0.278CS..THydrogen-bonded Turntrans-76.2-29.1-176.6-175.80000111.9L27 L30 Y51 Q52 I56 F170 N171 R213L27-V54 HydrophobicContact CD2-CG1 4.19Å; L30-V54 HydrophobicContact CD1-CB 3.95Å; L30-V54 HydrophobicContact CD1-CG1 4.21Å; L30-V54 HydrophobicContact CD1-CG2 3.87Å; Y51-V54 PolarHBondContact O-N 3.21Å; Q52-V54 VanDerWaalsContact C-N 3.32Å; Q52-V54 PolarHBondContact O-N 2.82Å; V54-I56 HydrophobicContact CG1-CB 4.15Å; V54-I56 HydrophobicContact CG1-CD1 4.02Å; V54-I56 HydrophobicContact CG1-CG1 4.14Å; V54-F170 HydrophobicContact CG2-CD1 3.67Å; V54-F170 HydrophobicContact CG2-CE1 3.58Å; V54-N171 PolarHBondContact O-ND2 2.87Å; V54-R213 PolarHBondContact O-NH2 3.45Å
55G77.3Confident73.7Confident52 Ų5254.6 Ų54.654%0.53627%0.272SS..THydrogen-bonded Turntrans69.429.4-178.500000114.4Q52Q52-G55 PolarHBondContact O-N 3.49Å
56I84.2Confident74.8Confident31 Ų3154.5 Ų54.516%0.15928%0.278CS..SBendtrans-122.6152177.6-70.1178.6000108L27 V28 V54 L58L27-I56 HydrophobicContact CB-CD1 4.17Å; L27-I56 HydrophobicContact CD2-CD1 3.59Å; L27-I56 HydrophobicContact CG-CD1 3.74Å; L27-I56 HydrophobicContact CG-CG2 4.49Å; V28-I56 WeakPolarHBondContact O-CG2 3.29Å; V54-I56 HydrophobicContact CG1-CB 4.15Å; V54-I56 HydrophobicContact CG1-CD1 4.02Å; V54-I56 HydrophobicContact CG1-CG1 4.14Å; I56-L58 PolarHBondContact O-N 3.07Å
57P89.2Confident75.4Confident73 Ų7354.4 Ų54.447%0.47428%0.28SS..  trans-52.5132.1178.9-28.136.3000112.7A29 L30 Y59A29-P57 WeakPolarHBondContact CA-O 3.46Å; L30-P57 PolarHBondContact N-O 3.29Å; P57-Y59 HydrophobicContact CB-CE2 4.1Å
58L90.1Very high75.7Confident56 Ų5657.7 Ų57.729%0.29329%0.294SS..EExtended strand (participates in β ladder)trans-108.2125.4174.4175.272.8000109.7L30 N32 Y51 I56 Q60L30-L58 HydrophobicContact CB-CD1 3.74Å; N32-L58 HydrophobicContact CB-CD1 4.2Å; Y51-L58 VanDerWaalsContact CB-CD2 3.47Å; Y51-L58 HydrophobicContact CD1-CD1 4.13Å; Y51-L58 HydrophobicContact CD2-CD1 3.78Å; Y51-L58 HydrophobicContact CD2-CD2 3.4Å; Y51-L58 VanDerWaalsContact CD2-CD2 3.4Å; Y51-L58 HydrophobicContact CD2-CG 4.21Å; Y51-L58 HydrophobicContact CE2-CD1 4.39Å; Y51-L58 HydrophobicContact CE2-CD2 4.43Å; Y51-L58 HydrophobicContact CG-CD1 3.65Å; Y51-L58 HydrophobicContact CG-CD2 3.69Å; Y51-L58 HydrophobicContact CG-CG 4.23Å; I56-L58 PolarHBondContact O-N 3.07Å; L58-Q60 HydrophobicContact CD1-CG 4.19Å; L58-Q60 HydrophobicContact CD2-CG 3.66Å; L58-Q60 HydrophobicContact CG-CG 3.86Å
59Y89.8Confident75.6Confident20 Ų2056.6 Ų56.68%0.07829%0.286CS..EExtended strand (participates in β ladder)trans-100.7112.9169.1-67.7-98.4000107.9A29 L30 V31 N32 P57 I88 V92 E95 I96A29-Y59 HydrophobicContact CB-CD2 3.95Å; A29-Y59 HydrophobicContact CB-CE2 3.81Å; L30-Y59 PolarHBondContact O-N 2.86Å; V31-Y59 CarbonylContact C-O 3.25Å; V31-Y59 WeakPolarHBondContact CA-O 3.15Å; N32-Y59 PolarHBondContact N-O 3.47Å; P57-Y59 HydrophobicContact CB-CE2 4.1Å; Y59-I88 WeakPolarHBondContact O-CD1 3.12Å; Y59-V92 HydrophobicContact CD1-CG2 3.74Å; Y59-V92 HydrophobicContact CD2-CG2 3.68Å; Y59-V92 HydrophobicContact CE1-CG2 4.13Å; Y59-V92 HydrophobicContact CE2-CG2 4.07Å; Y59-V92 HydrophobicContact CG-CG2 3.51Å; Y59-E95 WeakPolarHBondContact CE1-OE2 3.4Å; Y59-E95 VanDerWaalsContact CZ-OE2 3.32Å; Y59-E95 PolarHBondContact OH-OE2 2.94Å; Y59-I96 HydrophobicContact CE2-CD1 4.26Å
60Q89.1Confident75.7Confident69 Ų6959.8 Ų59.832%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-112.2137.8175.1-90177-27.200110.4N32 L58N32-Q60 HydrophobicContact CB-CG 3.94Å; N32-Q60 PolarHBondContact ND2-NE2 3.31Å; N32-Q60 WeakPolarHBondContact O-CA 3.48Å; L58-Q60 HydrophobicContact CD1-CG 4.19Å; L58-Q60 HydrophobicContact CD2-CG 3.66Å; L58-Q60 HydrophobicContact CG-CG 3.86Å
61M85.1Confident75.7Confident29 Ų2965.7 Ų65.714%0.14332%0.32CS..EExtended strand (participates in β ladder)trans-139.6135.1171.8-168.6168.279.100110.2N32 L33 C34 D84 D87 I88N32-M61 PolarHBondContact O-N 3.08Å; L33-M61 WeakPolarHBondContact CA-O 3.34Å; L33-M61 HydrophobicContact CD2-CB 4.08Å; L33-M61 HydrophobicContact CD2-CE 4.09Å; C34-M61 PolarHBondContact N-O 3.45Å; C34-M61 PolarHBondContact SG-O 2.92Å; M61-D84 VanDerWaalsContact CE-C 3.49Å; M61-D84 HydrophobicContact CE-CB 3.59Å; M61-D84 WeakPolarHBondContact CE-O 3.41Å; M61-D87 HydrophobicContact CE-CB 4.23Å; M61-I88 HydrophobicContact CB-CB 4.32Å; M61-I88 HydrophobicContact CB-CD1 3.54Å; M61-I88 HydrophobicContact CB-CG1 4.31Å; M61-I88 HydrophobicContact CE-CB 4.1Å; M61-I88 HydrophobicContact SD-CB 4.27Å
62E86.9Confident75.2Confident80 Ų8068.8 Ų68.837%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-69.6135172.2-67.4178.1-177.200109.5C34 K37 R64C34-E62 CarbonylContact O-C 3.38Å; C34-E62 WeakPolarHBondContact O-CA 3.46Å; K37-E62 WeakPolarHBondContact CE-OE1 3.39Å; E62-R64 PolarHBondContact O-N 2.81Å
63L79.9Confident74.9Confident46 Ų4666.5 Ų66.524%0.24133%0.327CS..  trans-60.5122.7169.8-73.8170.1000109.1L33 C34 P36 E81 D84L33-L63 HydrophobicContact CB-CD2 4Å; L33-L63 HydrophobicContact CB-CG 4.15Å; L33-L63 HydrophobicContact CD1-CD2 3.9Å; L33-L63 HydrophobicContact CD2-CD2 4.43Å; L33-L63 HydrophobicContact CG-CD2 4.33Å; C34-L63 PolarHBondContact O-N 3.48Å; P36-L63 WeakPolarHBondContact CG-O 3.4Å; L63-E81 HydrophobicContact CD2-CB 4.19Å; L63-D84 HydrophobicContact CD2-CB 4.36Å
64R82.1Confident74.6Confident194 Ų19470.3 Ų70.373%0.73234%0.342SS*.  trans-108.7-29.5178.2-63.9173.7-178.21701.1111.2E62 D84E62-R64 PolarHBondContact O-N 2.81Å; R64-D84 PolarHBondContact N-OD2 2.9Å
65R80.3Confident74.4Confident69 Ų6978 Ų7826%0.2637%0.37SS..SBendtrans-101.2163.5-176.3-66.8177.7-176.4107.2-15.8109.7S78 N79 D80 E83 D84 D87R65-S78 WeakPolarHBondContact CD-O 3.22Å; R65-S78 PolarHBondContact NE-O 3.48Å; R65-N79 VanDerWaalsContact CB-O 3.28Å; R65-N79 WeakPolarHBondContact CB-O 3.34Å; R65-D80 VanDerWaalsContact CB-C 3.49Å; R65-D80 WeakPolarHBondContact CB-O 3.07Å; R65-D80 WeakPolarHBondContact CD-O 3.25Å; R65-E83 PolarHBondContact NH1-O 3.2Å; R65-D84 WeakPolarHBondContact CB-OD2 3.35Å; R65-D84 IonicContact CZ-OD1 3.17Å; R65-D84 PolarHBondContact N-OD2 3.43Å; R65-D84 IonicContact NE-OD1 3.86Å; R65-D84 IonicContact NH1-OD1 3.16Å; R65-D84 PolarHBondContact NH1-OD1 3.5Å; R65-D87 IonicContact CZ-OD2 3.05Å; R65-D87 VanDerWaalsContact CZ-OD2 3.3Å; R65-D87 IonicContact NH1-OD2 3.25Å; R65-D87 PolarHBondContact NH1-OD2 2.78Å; R65-D87 IonicContact NH2-OD2 2.85Å; R65-D87 PolarHBondContact NH2-OD2 2.84Å
66V74.4Confident74.1Confident91 Ų9182.7 Ų82.755%0.55238%0.378SS*.  trans-117.5151.7-177.6-62.50000110.6H68 N79 D80 E81V66-H68 VanDerWaalsContact CG2-CD2 3.47Å; V66-H68 WeakPolarHBondContact CG2-CD2 3.45Å; V66-H68 WeakPolarHBondContact CG2-NE2 3.23Å; V66-H68 PolarHBondContact O-CD2 3.37Å; V66-H68 PolarHBondContact O-N 2.83Å; V66-N79 PolarHBondContact N-O 3.47Å; V66-D80 WeakPolarHBondContact O-CA 3.45Å; V66-E81 PolarHBondContact O-N 3.16Å
67S69.7Low73.6Confident36 Ų3683.3 Ų83.325%0.25239%0.385SS..  trans-63.5103.3178-158.20000112E81S67-E81 VanDerWaalsContact CB-CD 3.49Å; S67-E81 WeakPolarHBondContact CB-OE1 3.2Å; S67-E81 PolarHBondContact OG-OE1 3.02Å
68H66Low73.2Confident103 Ų10383.7 Ų83.748%0.47739%0.389SS..  trans-108.1-45.6-178.1-82.3-72.1000112.4V66 R70 N79 D80V66-H68 VanDerWaalsContact CG2-CD2 3.47Å; V66-H68 WeakPolarHBondContact CG2-CD2 3.45Å; V66-H68 WeakPolarHBondContact CG2-NE2 3.23Å; V66-H68 PolarHBondContact O-CD2 3.37Å; V66-H68 PolarHBondContact O-N 2.83Å; H68-R70 PolarHBondContact O-N 3.39Å; H68-R70 VanDerWaalsContact O-N 3.08Å; H68-N79 PolarHBondContact CD2-O 2.83Å; H68-N79 VanDerWaalsContact CD2-O 3.25Å; H68-D80 WeakPolarHBondContact CA-OD2 3.21Å; H68-D80 HydrophobicContact CB-CB 4.48Å; H68-D80 WeakPolarHBondContact CB-OD2 3.34Å; H68-D80 PolarHBondContact N-OD2 3.41Å
69C57.6Low72.8Confident25 Ų2585.6 Ų85.617%0.16940%0.4CS..  trans-83.286.5-175.6-159.70000109.6R71 Y74 R75 D80C69-R71 VanDerWaalsContact C-N 3.26Å; C69-R71 PolarHBondContact O-N 3.49Å; C69-Y74 HydrophobicContact CB-CD2 3.79Å; C69-Y74 HydrophobicContact CB-CE2 3.7Å; C69-R75 PolarHBondContact SG-N 2.84Å; C69-R75 PolarHBondContact SG-O 2.67Å; C69-D80 PolarHBondContact N-OD2 3.06Å
70R59.3Low72.4Confident139 Ų13984.8 Ų84.853%0.52540%0.397SS..  trans-90.623-179.4-52.8-166.6178.8168.5-8.3113.6H68 Y111H68-R70 PolarHBondContact O-N 3.39Å; H68-R70 VanDerWaalsContact O-N 3.08Å; R70-Y111 VanDerWaalsContact C-CE1 3.47Å; R70-Y111 VanDerWaalsContact CA-OH 3.29Å; R70-Y111 WeakPolarHBondContact CA-OH 3.42Å; R70-Y111 HydrophobicContact CB-CE1 3.81Å; R70-Y111 WeakPolarHBondContact CB-OH 3.44Å; R70-Y111 WeakPolarHBondContact CG-OH 3.46Å; R70-Y111 WeakPolarHBondContact O-CE1 3.48Å
71R58.3Low71.9Confident131 Ų13184.7 Ų84.749%0.49440%0.396SS..SBendtrans-97.4157.2-178.2-69.1-173.6177.4155.3-0.9110.2C69C69-R71 VanDerWaalsContact C-N 3.26Å; C69-R71 PolarHBondContact O-N 3.49Å
72M56.2Low71.6Confident71 Ų7186 Ų8635%0.3541%0.406SS..SBendtrans-62.1-44.1176.7-76.4-65.4-7000112.4Q112M72-Q112 VanDerWaalsContact CG-CD 3.42Å; M72-Q112 HydrophobicContact CG-CG 3.92Å; M72-Q112 HydrophobicContact SD-CG 3.66Å
73L59.2Low71.6Confident79 Ų7983 Ų8341%0.41439%0.392SS..SBendtrans-89.6115.4170.4-70-175.1000108.9R75 S388L73-R75 PolarHBondContact O-N 2.96Å; L73-S388 WeakPolarHBondContact CD1-OG 3.26Å
74Y61.1Low71.8Confident81 Ų8180.8 Ų80.832%0.31838%0.38SS..  trans-61.3120.6169.4-174.8-107.1000109.2C69 Q76 C77 D80 V82 E83C69-Y74 HydrophobicContact CB-CD2 3.79Å; C69-Y74 HydrophobicContact CB-CE2 3.7Å; Y74-Q76 HydrophobicContact CE1-CB 4.36Å; Y74-C77 PolarHBondContact OH-N 2.85Å; Y74-D80 HydrophobicContact CE2-CB 4.26Å; Y74-D80 WeakPolarHBondContact CE2-OD1 3.36Å; Y74-V82 HydrophobicContact CD1-CG1 4.16Å; Y74-V82 HydrophobicContact CD2-CB 4.27Å; Y74-V82 HydrophobicContact CD2-CG1 4.3Å; Y74-V82 HydrophobicContact CD2-CG2 4.05Å; Y74-V82 HydrophobicContact CE1-CB 4.3Å; Y74-V82 HydrophobicContact CE1-CG1 3.75Å; Y74-V82 HydrophobicContact CE2-CB 3.62Å; Y74-V82 HydrophobicContact CE2-CG1 3.91Å; Y74-V82 HydrophobicContact CE2-CG2 3.77Å; Y74-V82 HydrophobicContact CG-CG1 4.43Å; Y74-E83 PolarHBondContact OH-OE1 2.86Å
75R66.7Low72Confident163 Ų16373.8 Ų73.862%0.61536%0.357SS*.  trans-104.6127.8162.9-69.5-172.8-174.3167.13.8107.2C69 L73 C77C69-R75 PolarHBondContact SG-N 2.84Å; C69-R75 PolarHBondContact SG-O 2.67Å; L73-R75 PolarHBondContact O-N 2.96Å; R75-C77 PolarHBondContact O-N 2.93Å; R75-C77 VanDerWaalsContact O-N 3.15Å
76Q71.2Confident72.4Confident150 Ų15077 Ų7770%0.70137%0.37SS*.  trans-49122.8-178.9-168.6175.217.300110.5Y74 E83Y74-Q76 HydrophobicContact CE1-CB 4.36Å; Q76-E83 PolarHBondContact NE2-OE2 3.19Å
77C74.1Confident73.1Confident45 Ų4575.4 Ų75.430%0.30436%0.359SS..  trans-135.1112.2179-177.10000107.3Y74 R75 N79 D80 E83Y74-C77 PolarHBondContact OH-N 2.85Å; R75-C77 PolarHBondContact O-N 2.93Å; R75-C77 VanDerWaalsContact O-N 3.15Å; C77-N79 PolarHBondContact O-N 3.45Å; C77-D80 HydrophobicContact CB-CB 4.02Å; C77-D80 WeakPolarHBondContact O-CB 3.26Å; C77-D80 PolarHBondContact O-N 2.87Å; C77-E83 VanDerWaalsContact O-CG 3.25Å; C77-E83 WeakPolarHBondContact O-CG 3.34Å
78S79.4Confident74.1Confident80 Ų8073.9 Ų73.956%0.55935%0.347SS*.THydrogen-bonded Turntrans-55.4-21.3-170.561.20000115.3R65R65-S78 WeakPolarHBondContact CD-O 3.22Å; R65-S78 PolarHBondContact NE-O 3.48Å
79N81.4Confident75.3Confident97 Ų9770.8 Ų70.852%0.51933%0.334SS..THydrogen-bonded Turntrans-101.94.6-176-62.1-10.5000112.7R65 V66 H68 C77R65-N79 VanDerWaalsContact CB-O 3.28Å; R65-N79 WeakPolarHBondContact CB-O 3.34Å; V66-N79 PolarHBondContact N-O 3.47Å; H68-N79 PolarHBondContact CD2-O 2.83Å; H68-N79 VanDerWaalsContact CD2-O 3.25Å; C77-N79 PolarHBondContact O-N 3.45Å
80D81.9Confident77Confident2 Ų272.1 Ų72.11%0.01134%0.343CS..SBendtrans-87.3146.5-176-166.5-93.5000112.6R65 V66 H68 C69 Y74 C77 V82 E83R65-D80 VanDerWaalsContact CB-C 3.49Å; R65-D80 WeakPolarHBondContact CB-O 3.07Å; R65-D80 WeakPolarHBondContact CD-O 3.25Å; V66-D80 WeakPolarHBondContact O-CA 3.45Å; H68-D80 WeakPolarHBondContact CA-OD2 3.21Å; H68-D80 HydrophobicContact CB-CB 4.48Å; H68-D80 WeakPolarHBondContact CB-OD2 3.34Å; H68-D80 PolarHBondContact N-OD2 3.41Å; C69-D80 PolarHBondContact N-OD2 3.06Å; Y74-D80 HydrophobicContact CE2-CB 4.26Å; Y74-D80 WeakPolarHBondContact CE2-OD1 3.36Å; C77-D80 HydrophobicContact CB-CB 4.02Å; C77-D80 WeakPolarHBondContact O-CB 3.26Å; C77-D80 PolarHBondContact O-N 2.87Å; D80-V82 PolarHBondContact O-N 3.49Å; D80-V82 VanDerWaalsContact OD1-CB 3.26Å; D80-V82 WeakPolarHBondContact OD1-CB 3.21Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.23Å; D80-V82 PolarHBondContact OD1-N 3.41Å; D80-E83 WeakPolarHBondContact O-CB 3.39Å; D80-E83 PolarHBondContact O-N 3.17Å
81E78.5Confident78.6Confident68 Ų6871.6 Ų71.632%0.31834%0.341SS..Hα-helixtrans-58.7-25.8178.271.4-167.6164.100113.4L63 V66 S67 E83 D84 L85L63-E81 HydrophobicContact CD2-CB 4.19Å; V66-E81 PolarHBondContact O-N 3.16Å; S67-E81 VanDerWaalsContact CB-CD 3.49Å; S67-E81 WeakPolarHBondContact CB-OE1 3.2Å; S67-E81 PolarHBondContact OG-OE1 3.02Å; E81-E83 PolarHBondContact O-N 3.01Å; E81-D84 WeakPolarHBondContact O-CB 3.2Å; E81-D84 PolarHBondContact O-N 2.96Å; E81-L85 PolarHBondContact O-N 3.06Å
82V80.1Confident80.2Confident55 Ų5565.4 Ų65.433%0.33332%0.318SS..Hα-helixtrans-60.7-29.3173.51740000111.5Y74 D80 D84 L85 Y86Y74-V82 HydrophobicContact CD1-CG1 4.16Å; Y74-V82 HydrophobicContact CD2-CB 4.27Å; Y74-V82 HydrophobicContact CD2-CG1 4.3Å; Y74-V82 HydrophobicContact CD2-CG2 4.05Å; Y74-V82 HydrophobicContact CE1-CB 4.3Å; Y74-V82 HydrophobicContact CE1-CG1 3.75Å; Y74-V82 HydrophobicContact CE2-CB 3.62Å; Y74-V82 HydrophobicContact CE2-CG1 3.91Å; Y74-V82 HydrophobicContact CE2-CG2 3.77Å; Y74-V82 HydrophobicContact CG-CG1 4.43Å; D80-V82 PolarHBondContact O-N 3.49Å; D80-V82 VanDerWaalsContact OD1-CB 3.26Å; D80-V82 WeakPolarHBondContact OD1-CB 3.21Å; D80-V82 WeakPolarHBondContact OD1-CG2 3.23Å; D80-V82 PolarHBondContact OD1-N 3.41Å; V82-D84 VanDerWaalsContact C-N 3.35Å; V82-L85 WeakPolarHBondContact O-CB 3.31Å; V82-L85 PolarHBondContact O-N 3.5Å; V82-Y86 PolarHBondContact O-N 2.75Å
83E85.6Confident81.9Confident18 Ų1866.3 Ų66.38%0.08432%0.324CS..Hα-helixtrans-75.1-25.7176.1-57.3-65.4113.800111.9R65 Y74 Q76 C77 D80 E81 Y86 D87R65-E83 PolarHBondContact NH1-O 3.2Å; Y74-E83 PolarHBondContact OH-OE1 2.86Å; Q76-E83 PolarHBondContact NE2-OE2 3.19Å; C77-E83 VanDerWaalsContact O-CG 3.25Å; C77-E83 WeakPolarHBondContact O-CG 3.34Å; D80-E83 WeakPolarHBondContact O-CB 3.39Å; D80-E83 PolarHBondContact O-N 3.17Å; E81-E83 PolarHBondContact O-N 3.01Å; E83-Y86 PolarHBondContact O-N 3.44Å; E83-D87 WeakPolarHBondContact O-CB 3.26Å; E83-D87 PolarHBondContact O-N 3.43Å
84D85.7Confident83.6Confident0 Ų066.8 Ų66.80%033%0.333CS..Hα-helixtrans-65.1-43.9167.5-70.8-29.4000109.8L33 M61 L63 R64 R65 E81 V82 Y86 D87 I88L33-D84 HydrophobicContact CD2-CB 4.31Å; M61-D84 VanDerWaalsContact CE-C 3.49Å; M61-D84 HydrophobicContact CE-CB 3.59Å; M61-D84 WeakPolarHBondContact CE-O 3.41Å; L63-D84 HydrophobicContact CD2-CB 4.36Å; R64-D84 PolarHBondContact N-OD2 2.9Å; R65-D84 WeakPolarHBondContact CB-OD2 3.35Å; R65-D84 IonicContact CZ-OD1 3.17Å; R65-D84 PolarHBondContact N-OD2 3.43Å; R65-D84 IonicContact NE-OD1 3.86Å; R65-D84 IonicContact NH1-OD1 3.16Å; R65-D84 PolarHBondContact NH1-OD1 3.5Å; E81-D84 WeakPolarHBondContact O-CB 3.2Å; E81-D84 PolarHBondContact O-N 2.96Å; V82-D84 VanDerWaalsContact C-N 3.35Å; D84-Y86 VanDerWaalsContact C-N 3.3Å; D84-Y86 PolarHBondContact O-N 2.79Å; D84-D87 PolarHBondContact O-N 2.76Å; D84-I88 WeakPolarHBondContact O-CG2 3.39Å; D84-I88 PolarHBondContact O-N 2.71Å; D84-I88 VanDerWaalsContact O-N 3.09Å
85L86.3Confident85.2Confident46 Ų4667.6 Ų67.624%0.24134%0.34CS..Hα-helixtrans-60.6-41.4174.8-177.559.6000111.9L6 V31 L33 E81 V82 I88 L89L6-L85 HydrophobicContact CD1-CD1 3.97Å; L6-L85 HydrophobicContact CD1-CD2 3.94Å; L6-L85 HydrophobicContact CD2-CD1 3.66Å; L6-L85 HydrophobicContact CG-CD1 4.47Å; V31-L85 HydrophobicContact CG1-CD1 4.37Å; L33-L85 HydrophobicContact CD1-CB 3.9Å; L33-L85 HydrophobicContact CD1-CD1 4.15Å; E81-L85 PolarHBondContact O-N 3.06Å; V82-L85 WeakPolarHBondContact O-CB 3.31Å; V82-L85 PolarHBondContact O-N 3.5Å; L85-I88 HydrophobicContact CD1-CG2 4.27Å; L85-I88 VanDerWaalsContact O-CG2 3.23Å; L85-I88 WeakPolarHBondContact O-CG2 3.16Å; L85-L89 HydrophobicContact CD1-CD1 4.09Å; L85-L89 HydrophobicContact CD1-CG 4.28Å; L85-L89 HydrophobicContact CG-CD1 3.98Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 VanDerWaalsContact O-CG 3.23Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 2.94Å; L85-L89 VanDerWaalsContact O-N 3.09Å
86Y87Confident86.5Confident136 Ų13661.5 Ų61.553%0.53332%0.32SS..Hα-helixtrans-60.4-50.1175.1179.5-96.9000111.7V82 E83 D84 I88 L89 C90V82-Y86 PolarHBondContact O-N 2.75Å; E83-Y86 PolarHBondContact O-N 3.44Å; D84-Y86 VanDerWaalsContact C-N 3.3Å; D84-Y86 PolarHBondContact O-N 2.79Å; Y86-I88 PolarHBondContact O-N 3.31Å; Y86-L89 PolarHBondContact O-N 3.11Å; Y86-L89 VanDerWaalsContact O-N 3.16Å; Y86-C90 WeakPolarHBondContact CE1-SG 3.48Å; Y86-C90 PolarHBondContact O-N 2.88Å; Y86-C90 PolarHBondContact O-SG 3.13Å
87D90.6Very high87.5Confident59 Ų5958.8 Ų58.832%0.31632%0.315SS..Hα-helixtrans-59.3-43.6-177.9-73.4-22.4000112.1M61 R65 E83 D84 C90 R91M61-D87 HydrophobicContact CE-CB 4.23Å; R65-D87 IonicContact CZ-OD2 3.05Å; R65-D87 VanDerWaalsContact CZ-OD2 3.3Å; R65-D87 IonicContact NH1-OD2 3.25Å; R65-D87 PolarHBondContact NH1-OD2 2.78Å; R65-D87 IonicContact NH2-OD2 2.85Å; R65-D87 PolarHBondContact NH2-OD2 2.84Å; E83-D87 WeakPolarHBondContact O-CB 3.26Å; E83-D87 PolarHBondContact O-N 3.43Å; D84-D87 PolarHBondContact O-N 2.76Å; D87-C90 PolarHBondContact O-N 3.03Å; D87-R91 PolarHBondContact O-N 3.16Å; D87-R91 VanDerWaalsContact O-N 3.11Å
88I90.1Very high88.2Confident3 Ų361.4 Ų61.42%0.01533%0.326CS..Hα-helixtrans-69.5-36.5178-168.6166000112V31 L33 Y59 M61 D84 L85 Y86 R91 V92V31-I88 HydrophobicContact CG1-CD1 3.97Å; V31-I88 HydrophobicContact CG1-CG1 4.24Å; V31-I88 HydrophobicContact CG1-CG2 3.73Å; L33-I88 HydrophobicContact CD2-CG2 4.2Å; Y59-I88 WeakPolarHBondContact O-CD1 3.12Å; M61-I88 HydrophobicContact CB-CB 4.32Å; M61-I88 HydrophobicContact CB-CD1 3.54Å; M61-I88 HydrophobicContact CB-CG1 4.31Å; M61-I88 HydrophobicContact CE-CB 4.1Å; M61-I88 HydrophobicContact SD-CB 4.27Å; D84-I88 WeakPolarHBondContact O-CG2 3.39Å; D84-I88 PolarHBondContact O-N 2.71Å; D84-I88 VanDerWaalsContact O-N 3.09Å; L85-I88 HydrophobicContact CD1-CG2 4.27Å; L85-I88 VanDerWaalsContact O-CG2 3.23Å; L85-I88 WeakPolarHBondContact O-CG2 3.16Å; Y86-I88 PolarHBondContact O-N 3.31Å; I88-R91 WeakPolarHBondContact O-CB 3.48Å; I88-R91 PolarHBondContact O-N 3.19Å; I88-V92 WeakPolarHBondContact O-CG2 3.49Å; I88-V92 PolarHBondContact O-N 2.71Å
89L91.3Very high88.7Confident39 Ų3958.4 Ų58.420%0.20430%0.304CS..Hα-helixtrans-68-37.7175.8-72.7173000111.8V4 L6 V31 L85 Y86 R91 V92 L93 V102V4-L89 HydrophobicContact CG1-CD2 3.83Å; L6-L89 HydrophobicContact CD2-CD2 4.24Å; V31-L89 HydrophobicContact CG2-CD2 4.35Å; L85-L89 HydrophobicContact CD1-CD1 4.09Å; L85-L89 HydrophobicContact CD1-CG 4.28Å; L85-L89 HydrophobicContact CG-CD1 3.98Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 VanDerWaalsContact O-CG 3.23Å; L85-L89 WeakPolarHBondContact O-CG 3.34Å; L85-L89 PolarHBondContact O-N 2.94Å; L85-L89 VanDerWaalsContact O-N 3.09Å; Y86-L89 PolarHBondContact O-N 3.11Å; Y86-L89 VanDerWaalsContact O-N 3.16Å; L89-R91 VanDerWaalsContact C-N 3.27Å; L89-R91 PolarHBondContact O-N 2.83Å; L89-V92 PolarHBondContact O-N 3.42Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 PolarHBondContact O-N 3.3Å; L89-V102 HydrophobicContact CD1-CG2 4.3Å; L89-V102 HydrophobicContact CD2-CG1 4.32Å; L89-V102 HydrophobicContact CD2-CG2 4.04Å
90C92.2Very high88.9Confident52 Ų5258.1 Ų58.135%0.35131%0.306SS..Hα-helixtrans-59.5-39.4171.3-75.90000111.8Y86 D87 L93 S94Y86-C90 WeakPolarHBondContact CE1-SG 3.48Å; Y86-C90 PolarHBondContact O-N 2.88Å; Y86-C90 PolarHBondContact O-SG 3.13Å; D87-C90 PolarHBondContact O-N 3.03Å; C90-L93 PolarHBondContact O-N 2.77Å; C90-S94 PolarHBondContact O-N 3.14Å
91R93.6Very high89.2Confident129 Ų12959 Ų5949%0.48731%0.314SS..Hα-helixtrans-65.2-43.5173.9-179.5-178.7172.7-167.6-3.2112.3D87 I88 L89 L93 S94 E95D87-R91 PolarHBondContact O-N 3.16Å; D87-R91 VanDerWaalsContact O-N 3.11Å; I88-R91 WeakPolarHBondContact O-CB 3.48Å; I88-R91 PolarHBondContact O-N 3.19Å; L89-R91 VanDerWaalsContact C-N 3.27Å; L89-R91 PolarHBondContact O-N 2.83Å; R91-L93 VanDerWaalsContact C-N 3.3Å; R91-L93 PolarHBondContact O-N 3.18Å; R91-S94 PolarHBondContact O-N 3.45Å; R91-S94 PolarHBondContact O-OG 3.08Å; R91-E95 IonicContact CZ-OE1 3.23Å; R91-E95 IonicContact NE-OE1 2.74Å; R91-E95 PolarHBondContact NE-OE1 3.45Å; R91-E95 IonicContact NH2-OE1 2.84Å; R91-E95 PolarHBondContact NH2-OE1 3Å; R91-E95 PolarHBondContact O-N 3.42Å; R91-E95 VanDerWaalsContact O-N 3.13Å
92V92.4Very high89.6Confident1 Ų159.6 Ų59.61%0.00632%0.322CS..Hα-helixtrans-59.9-44.2175.5173.40000110.6V4 A29 V31 Y59 I88 L89 S94 E95 I96 V99V4-V92 HydrophobicContact CB-CG1 4.27Å; V4-V92 HydrophobicContact CG2-CG1 4.15Å; A29-V92 HydrophobicContact CB-CG1 4.3Å; V31-V92 HydrophobicContact CG2-CG2 3.64Å; Y59-V92 HydrophobicContact CD1-CG2 3.74Å; Y59-V92 HydrophobicContact CD2-CG2 3.68Å; Y59-V92 HydrophobicContact CE1-CG2 4.13Å; Y59-V92 HydrophobicContact CE2-CG2 4.07Å; Y59-V92 HydrophobicContact CG-CG2 3.51Å; I88-V92 WeakPolarHBondContact O-CG2 3.49Å; I88-V92 PolarHBondContact O-N 2.71Å; L89-V92 PolarHBondContact O-N 3.42Å; V92-S94 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 3Å; V92-E95 PolarHBondContact O-N 2.91Å; V92-I96 WeakPolarHBondContact O-CA 3.01Å; V92-I96 PolarHBondContact O-N 3.24Å; V92-V99 HydrophobicContact CG1-CG2 4.31Å
93L92.3Very high90.1Very high90 Ų9057.4 Ų57.447%0.47131%0.309SS..Hα-helixtrans-66.5-34.6-179.2-173.162.5000112.5L89 C90 R91 I96 P97 V99L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 PolarHBondContact O-N 3.3Å; C90-L93 PolarHBondContact O-N 2.77Å; R91-L93 VanDerWaalsContact C-N 3.3Å; R91-L93 PolarHBondContact O-N 3.18Å; L93-I96 CarbonylContact O-C 3.56Å; L93-P97 VanDerWaalsContact O-CA 3.27Å; L93-P97 WeakPolarHBondContact O-CA 3.24Å; L93-V99 HydrophobicContact CD1-CB 4.47Å
94S94.6Very high90.1Very high88 Ų8859.9 Ų59.962%0.61533%0.328SS*.Hα-helixtrans-70.6-34.7176.771.10000112.7C90 R91 V92C90-S94 PolarHBondContact O-N 3.14Å; R91-S94 PolarHBondContact O-N 3.45Å; R91-S94 PolarHBondContact O-OG 3.08Å; V92-S94 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 3Å
95E95.4Very high89.8Confident98 Ų9860.1 Ų60.146%0.45833%0.331SS..Hα-helixtrans-84.6-28.6177.7-66.9-178-152.800113Y59 R91 V92Y59-E95 WeakPolarHBondContact CE1-OE2 3.4Å; Y59-E95 VanDerWaalsContact CZ-OE2 3.32Å; Y59-E95 PolarHBondContact OH-OE2 2.94Å; R91-E95 IonicContact CZ-OE1 3.23Å; R91-E95 IonicContact NE-OE1 2.74Å; R91-E95 PolarHBondContact NE-OE1 3.45Å; R91-E95 IonicContact NH2-OE1 2.84Å; R91-E95 PolarHBondContact NH2-OE1 3Å; R91-E95 PolarHBondContact O-N 3.42Å; R91-E95 VanDerWaalsContact O-N 3.13Å; V92-E95 PolarHBondContact O-N 2.91Å
96I93Very high89.2Confident36 Ų3660.7 Ų60.719%0.18534%0.342CS..  trans-131.277.5179.4-45178.3000109.8V28 A29 Y59 V92 L93 D98 V99V28-I96 HydrophobicContact CG2-CG2 4.3Å; A29-I96 HydrophobicContact CB-CD1 3.94Å; Y59-I96 HydrophobicContact CE2-CD1 4.26Å; V92-I96 WeakPolarHBondContact O-CA 3.01Å; V92-I96 PolarHBondContact O-N 3.24Å; L93-I96 CarbonylContact O-C 3.56Å; I96-D98 PolarHBondContact O-N 3.32Å; I96-D98 VanDerWaalsContact O-N 3.08Å; I96-V99 HydrophobicContact CB-CG2 3.93Å; I96-V99 HydrophobicContact CG2-CG2 3.71Å; I96-V99 WeakPolarHBondContact O-CG2 3.49Å; I96-V99 PolarHBondContact O-N 2.94Å; I96-V99 VanDerWaalsContact O-N 3.14Å
97P91.6Very high88.1Confident93 Ų9357.7 Ų57.760%0.60434%0.335SS*.THydrogen-bonded Turntrans-62.6-20.3-174.4-25.235.7000115.2L93 V99L93-P97 VanDerWaalsContact O-CA 3.27Å; L93-P97 WeakPolarHBondContact O-CA 3.24Å; P97-V99 VanDerWaalsContact C-N 3.25Å; P97-V99 PolarHBondContact O-N 3.13Å
98D90.3Very high86.7Confident99 Ų9956 Ų5653%0.52933%0.325SS..THydrogen-bonded Turntrans-79.1-3.7180-60.9-10.8000113.6K2 I96 T100K2-D98 HydrophobicContact CD-CB 3.66Å; K2-D98 IonicContact NZ-OD2 2.71Å; K2-D98 PolarHBondContact NZ-OD2 2.67Å; I96-D98 PolarHBondContact O-N 3.32Å; I96-D98 VanDerWaalsContact O-N 3.08Å; D98-T100 PolarHBondContact O-N 3.28Å
99V89.4Confident84.8Confident17 Ų1758.8 Ų58.810%0.10335%0.345CS..  trans-65.3129.9175171.60000109.3V4 V28 V92 L93 I96 P97V4-V99 HydrophobicContact CB-CG1 4.39Å; V4-V99 HydrophobicContact CG1-CG1 4.05Å; V28-V99 HydrophobicContact CG2-CG2 3.44Å; V28-V99 VanDerWaalsContact CG2-CG2 3.44Å; V92-V99 HydrophobicContact CG1-CG2 4.31Å; L93-V99 HydrophobicContact CD1-CB 4.47Å; I96-V99 HydrophobicContact CB-CG2 3.93Å; I96-V99 HydrophobicContact CG2-CG2 3.71Å; I96-V99 WeakPolarHBondContact O-CG2 3.49Å; I96-V99 PolarHBondContact O-N 2.94Å; I96-V99 VanDerWaalsContact O-N 3.14Å; P97-V99 VanDerWaalsContact C-N 3.25Å; P97-V99 PolarHBondContact O-N 3.13Å
100T85.9Confident82.9Confident91 Ų9157.4 Ų57.456%0.55834%0.338SS*.  trans-127.8-3.7-176.341.60000113.3K2 D98K2-T100 PolarHBondContact O-N 2.82Å; K2-T100 PolarHBondContact O-OG1 3.37Å; D98-T100 PolarHBondContact O-N 3.28Å
101A86.6Confident80.8Confident22 Ų2258.9 Ų58.918%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-149.3152.4-177.100000111.9K2 F3 V4K2-A101 PolarHBondContact O-N 3.37Å; F3-A101 VanDerWaalsContact CA-O 3.23Å; F3-A101 WeakPolarHBondContact CA-O 2.91Å; F3-A101 HydrophobicContact CB-CB 3.83Å; V4-A101 PolarHBondContact N-O 3.25Å
102V88.4Confident78.2Confident80 Ų8057.8 Ų57.849%0.48534%0.337SS..EExtended strand (participates in β ladder)trans-119.9132.3171.8-176.70000108V4 L6 L89V4-V102 HydrophobicContact CG1-CB 4.26Å; V4-V102 HydrophobicContact CG1-CG1 4.26Å; V4-V102 HydrophobicContact CG1-CG2 3.75Å; V4-V102 CarbonylContact O-C 3.59Å; V4-V102 WeakPolarHBondContact O-CA 3.35Å; L6-V102 HydrophobicContact CD1-CG1 4.17Å; L6-V102 HydrophobicContact CD2-CG1 4.01Å; L6-V102 HydrophobicContact CG-CG1 3.84Å; L89-V102 HydrophobicContact CD1-CG2 4.3Å; L89-V102 HydrophobicContact CD2-CG1 4.32Å; L89-V102 HydrophobicContact CD2-CG2 4.04Å
103S90Very high75.8Confident8 Ų860 Ų606%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-103.8128.8172.3143.20000108V4 L6 N16V4-S103 PolarHBondContact O-N 3.4Å; L6-S103 WeakPolarHBondContact CG-O 3.29Å; L6-S103 PolarHBondContact N-O 3.34Å; N16-S103 WeakPolarHBondContact OD1-CB 3.14Å; N16-S103 PolarHBondContact OD1-OG 3.16Å
104S85.1Confident73.5Confident70 Ų7059.4 Ų59.449%0.4934%0.338SS..  trans-104.4-21.1-174.361.40000114.8A106S104-A106 PolarHBondContact O-N 2.76Å
105G80.7Confident71.2Confident6 Ų662.6 Ų62.66%0.06234%0.336CS..  trans73.6-2.2-174.400000116D12 I107D12-G105 VanDerWaalsContact CB-O 3.25Å; D12-G105 WeakPolarHBondContact CB-O 3.32Å; G105-I107 PolarHBondContact O-N 3.33Å
106A73.3Confident68.7Low58 Ų5863.2 Ų63.248%0.47935%0.346SS..  trans-73.2120.7177.100000110.3S104S104-A106 PolarHBondContact O-N 2.76Å
107I62.5Low66.3Low73 Ų7363.4 Ų63.437%0.37435%0.346SS..SBendtrans-88.6-40.1179.9-54.5178000109.9D12 G105 E156D12-I107 HydrophobicContact CB-CD1 3.93Å; D12-I107 HydrophobicContact CB-CG1 4.12Å; D12-I107 WeakPolarHBondContact OD1-CD1 3.03Å; G105-I107 PolarHBondContact O-N 3.33Å; I107-E156 HydrophobicContact CB-CG 4.38Å; I107-E156 WeakPolarHBondContact CB-OE1 3.36Å; I107-E156 PolarHBondContact N-OE2 3.34Å
108L61.6Low63.9Low22 Ų2264 Ų6412%0.11535%0.345CS..  trans-134.9103.9-179.2-154.580.7000110.3D110 E156 T431L108-D110 VanDerWaalsContact C-N 3.3Å; L108-D110 VanDerWaalsContact CD2-OD2 3.29Å; L108-D110 WeakPolarHBondContact CD2-OD2 3.4Å; L108-D110 PolarHBondContact O-N 2.91Å; L108-E156 HydrophobicContact CB-CB 3.94Å; L108-E156 HydrophobicContact CB-CG 3.82Å; L108-E156 HydrophobicContact CD2-CB 4.48Å; L108-E156 PolarHBondContact N-OE2 3.13Å; L108-T431 WeakPolarHBondContact CD1-O 3.49Å
109S51Low61.8Low62 Ų6266.3 Ų66.343%0.43436%0.355SS..  trans-82.874.7176.5-171.70000110.7
110D50.5Low60.1Low10 Ų1067.2 Ų67.25%0.05337%0.365CS..  trans-104.754177.9-70.94.5000111.9L108 Q112 R113 Y114 T431L108-D110 VanDerWaalsContact C-N 3.3Å; L108-D110 VanDerWaalsContact CD2-OD2 3.29Å; L108-D110 WeakPolarHBondContact CD2-OD2 3.4Å; L108-D110 PolarHBondContact O-N 2.91Å; D110-Q112 CarbonylContact O-C 3.59Å; D110-Q112 PolarHBondContact O-N 2.99Å; D110-R113 HydrophobicContact CB-CB 3.44Å; D110-R113 VanDerWaalsContact CB-CB 3.44Å; D110-R113 HydrophobicContact CB-CG 4.49Å; D110-R113 PolarHBondContact O-N 3.33Å; D110-R113 WeakPolarHBondContact OD2-CD 3.5Å; D110-R113 IonicContact OD2-NH1 3.63Å; D110-Y114 WeakPolarHBondContact O-CD2 3.28Å; D110-Y114 PolarHBondContact O-N 3.33Å; D110-Y114 VanDerWaalsContact O-N 3.15Å; D110-T431 WeakPolarHBondContact OD1-CB 3.48Å; D110-T431 PolarHBondContact OD1-OG1 3.02Å
111Y48Very low58.9Low83 Ų8364.3 Ų64.333%0.32535%0.35SS..THydrogen-bonded Turntrans-44.9-30.7-179.7-167.9-88.8000113.1R70R70-Y111 VanDerWaalsContact C-CE1 3.47Å; R70-Y111 VanDerWaalsContact CA-OH 3.29Å; R70-Y111 WeakPolarHBondContact CA-OH 3.42Å; R70-Y111 HydrophobicContact CB-CE1 3.81Å; R70-Y111 WeakPolarHBondContact CB-OH 3.44Å; R70-Y111 WeakPolarHBondContact CG-OH 3.46Å; R70-Y111 WeakPolarHBondContact O-CE1 3.48Å
112Q39.2Very low58Low106 Ų10670.7 Ų70.750%0.49537%0.374SS..THydrogen-bonded Turntrans-84.6-37.8175.8-67.4177.8-13.600115.6M72 D110 Y114 R115M72-Q112 VanDerWaalsContact CG-CD 3.42Å; M72-Q112 HydrophobicContact CG-CG 3.92Å; M72-Q112 HydrophobicContact SD-CG 3.66Å; D110-Q112 CarbonylContact O-C 3.59Å; D110-Q112 PolarHBondContact O-N 2.99Å; Q112-Y114 VanDerWaalsContact C-N 3.29Å; Q112-Y114 PolarHBondContact O-N 2.9Å; Q112-R115 PolarHBondContact O-N 3.05Å; Q112-R115 VanDerWaalsContact O-N 3.17Å
113R43.2Very low57.5Low48 Ų4868.5 Ų68.518%0.18137%0.367CS..Hα-helixtrans-63.7-38.3177.9-170.5179.4172-157.5-20.7110.7D110 R115 V116 E117 V429D110-R113 HydrophobicContact CB-CB 3.44Å; D110-R113 VanDerWaalsContact CB-CB 3.44Å; D110-R113 HydrophobicContact CB-CG 4.49Å; D110-R113 PolarHBondContact O-N 3.33Å; D110-R113 WeakPolarHBondContact OD2-CD 3.5Å; D110-R113 IonicContact OD2-NH1 3.63Å; R113-R115 PolarHBondContact O-N 2.83Å; R113-R115 VanDerWaalsContact O-N 3.11Å; R113-V116 PolarHBondContact O-N 3.1Å; R113-E117 HydrophobicContact CG-CG 3.99Å; R113-E117 WeakPolarHBondContact CG-OE2 3.27Å; R113-E117 IonicContact CZ-OE1 3.87Å; R113-E117 VanDerWaalsContact CZ-OE1 3.23Å; R113-E117 IonicContact CZ-OE2 3.58Å; R113-E117 VanDerWaalsContact CZ-OE2 3.25Å; R113-E117 IonicContact NE-OE1 2.92Å; R113-E117 PolarHBondContact NE-OE1 3.22Å; R113-E117 IonicContact NE-OE2 3.73Å; R113-E117 PolarHBondContact NE-OE2 3.45Å; R113-E117 IonicContact NH2-OE1 3.2Å; R113-E117 PolarHBondContact NH2-OE1 2.78Å; R113-E117 IonicContact NH2-OE2 3.07Å; R113-E117 PolarHBondContact NH2-OE2 3.24Å; R113-E117 PolarHBondContact O-N 3.07Å; R113-V429 HydrophobicContact CB-CG1 4.39Å; R113-V429 HydrophobicContact CG-CG1 4.36Å
114Y42.4Very low57.2Low78 Ų7869.9 Ų69.931%0.30637%0.374SS..Hα-helixtrans-46.5-41.8172.5-86.3-77.3000111.9D110 Q112 V116 N118 E156 G157D110-Y114 WeakPolarHBondContact O-CD2 3.28Å; D110-Y114 PolarHBondContact O-N 3.33Å; D110-Y114 VanDerWaalsContact O-N 3.15Å; Q112-Y114 VanDerWaalsContact C-N 3.29Å; Q112-Y114 PolarHBondContact O-N 2.9Å; Y114-V116 PolarHBondContact O-N 2.86Å; Y114-N118 WeakPolarHBondContact O-CB 3.38Å; Y114-N118 PolarHBondContact O-N 3.01Å; Y114-N118 PolarHBondContact O-ND2 3.1Å; Y114-E156 WeakPolarHBondContact CE1-O 3.31Å; Y114-E156 VanDerWaalsContact CE2-O 3.32Å; Y114-E156 WeakPolarHBondContact CE2-O 3.36Å; Y114-E156 PolarHBondContact OH-O 3.24Å; Y114-G157 VanDerWaalsContact CD1-C 3.48Å; Y114-G157 WeakPolarHBondContact CD1-O 3.48Å
115R47.7Very low57.2Low155 Ų15569 Ų6959%0.58537%0.366SS*.Hα-helixtrans-72-29.6-177.2-76.7-175.9152.6-163.7-8.8114.1Q112 R113Q112-R115 PolarHBondContact O-N 3.05Å; Q112-R115 VanDerWaalsContact O-N 3.17Å; R113-R115 PolarHBondContact O-N 2.83Å; R113-R115 VanDerWaalsContact O-N 3.11Å
116V42.4Very low57.5Low111 Ų11170.3 Ų70.367%0.67337%0.373SS*.Hα-helixtrans-87.8-33.4180-175.60000110.8R113 Y114R113-V116 PolarHBondContact O-N 3.1Å; Y114-V116 PolarHBondContact O-N 2.86Å
117E42.9Very low58.1Low39 Ų3975.2 Ų75.218%0.18239%0.386CS..Hα-helixtrans-88-15.6179-68.1-172.1165.200114.2R113 I119 R267R113-E117 HydrophobicContact CG-CG 3.99Å; R113-E117 WeakPolarHBondContact CG-OE2 3.27Å; R113-E117 IonicContact CZ-OE1 3.87Å; R113-E117 VanDerWaalsContact CZ-OE1 3.23Å; R113-E117 IonicContact CZ-OE2 3.58Å; R113-E117 VanDerWaalsContact CZ-OE2 3.25Å; R113-E117 IonicContact NE-OE1 2.92Å; R113-E117 PolarHBondContact NE-OE1 3.22Å; R113-E117 IonicContact NE-OE2 3.73Å; R113-E117 PolarHBondContact NE-OE2 3.45Å; R113-E117 IonicContact NH2-OE1 3.2Å; R113-E117 PolarHBondContact NH2-OE1 2.78Å; R113-E117 IonicContact NH2-OE2 3.07Å; R113-E117 PolarHBondContact NH2-OE2 3.24Å; R113-E117 PolarHBondContact O-N 3.07Å; E117-I119 CarbonylContact O-C 3.38Å; E117-I119 PolarHBondContact O-N 3.1Å; E117-R267 IonicContact OE1-NH1 3.64Å; E117-R267 PolarHBondContact OE1-NH1 2.69Å
118N41.5Very low59.2Low106 Ų10675.3 Ų75.357%0.56739%0.387SS*.  trans-61.43.4171.1-92.1-43000114.2Y114 A120Y114-N118 WeakPolarHBondContact O-CB 3.38Å; Y114-N118 PolarHBondContact O-N 3.01Å; Y114-N118 PolarHBondContact O-ND2 3.1Å; N118-A120 PolarHBondContact O-N 3.37Å
119I45.8Very low60.6Low147 Ų14775.6 Ų75.675%0.75439%0.387SS*.SBendtrans-7372155.5-50.4174000107.2E117E117-I119 CarbonylContact O-C 3.38Å; E117-I119 PolarHBondContact O-N 3.1Å
120A53.2Low62.5Low37 Ų3774.9 Ų74.931%0.30638%0.378SS..  trans42.9126.4168.100000117.6N118 F122N118-A120 PolarHBondContact O-N 3.37Å; A120-F122 VanDerWaalsContact C-N 3.33Å; A120-F122 PolarHBondContact O-N 3.25Å
121A62Low64.5Low30 Ų3076.9 Ų76.925%0.24840%0.402CS..  trans-59.290.9170.400000112G123 L124 L151 E159A121-G123 PolarHBondContact O-N 3.24Å; A121-L124 HydrophobicContact CB-CD1 3.72Å; A121-L124 HydrophobicContact CB-CG 4.19Å; A121-L124 PolarHBondContact O-N 2.91Å; A121-L151 HydrophobicContact CB-CD1 4Å; A121-E159 HydrophobicContact CB-CB 3.4Å; A121-E159 HydrophobicContact CB-CG 3.56Å
122F66.8Low66.5Low155 Ų15575.8 Ų75.868%0.6840%0.403SS*.THydrogen-bonded Turntrans-68.3122.4-170.7-157.2-84.4000110.1A120 W149A120-F122 VanDerWaalsContact C-N 3.33Å; A120-F122 PolarHBondContact O-N 3.25Å; F122-W149 AromaticContact CD1-CD1 3.65Å; F122-W149 AromaticContact CD1-NE1 3.52Å
123G78.3Confident69Low34 Ų3477.3 Ų77.335%0.35141%0.41SS..THydrogen-bonded Turntrans102.8-7.8177.600000115.6A121 T125 F129A121-G123 PolarHBondContact O-N 3.24Å; G123-T125 PolarHBondContact O-N 3.43Å; G123-F129 WeakPolarHBondContact O-CE2 3.43Å
124L83.9Confident71.3Confident37 Ų3778.2 Ų78.219%0.19442%0.418CS..  trans-80.8114.3168-62.3-177.6000109.7A121 F129 L141 L144 L151 E159 F160A121-L124 HydrophobicContact CB-CD1 3.72Å; A121-L124 HydrophobicContact CB-CG 4.19Å; A121-L124 PolarHBondContact O-N 2.91Å; L124-F129 HydrophobicContact CB-CD2 4.43Å; L124-F129 HydrophobicContact CD2-CD1 3.57Å; L124-F129 HydrophobicContact CD2-CD2 4Å; L124-F129 HydrophobicContact CD2-CE1 3.63Å; L124-F129 HydrophobicContact CD2-CE2 4.04Å; L124-F129 HydrophobicContact CD2-CG 3.78Å; L124-F129 HydrophobicContact CD2-CZ 3.87Å; L124-L141 HydrophobicContact CD2-CD2 4.02Å; L124-L144 HydrophobicContact CD2-CD1 3.76Å; L124-L144 HydrophobicContact CG-CD1 4.5Å; L124-L151 HydrophobicContact CD1-CD1 3.85Å; L124-L151 HydrophobicContact CD2-CD2 4.01Å; L124-L151 HydrophobicContact CG-CD1 4.13Å; L124-L151 HydrophobicContact CG-CD2 4.46Å; L124-E159 HydrophobicContact CD1-CB 4Å; L124-E159 VanDerWaalsContact CD1-O 3.3Å; L124-E159 WeakPolarHBondContact CD1-O 3.14Å; L124-F160 HydrophobicContact CD1-CB 4.26Å; L124-F160 HydrophobicContact CD1-CD1 3.97Å
125T85.5Confident73.5Confident53 Ų5379.3 Ų79.333%0.32544%0.438SS..  trans-101.3150.9172.963.50000110.2G123 E127 D128 F129G123-T125 PolarHBondContact O-N 3.43Å; T125-E127 PolarHBondContact O-N 3.27Å; T125-D128 WeakPolarHBondContact OG1-CB 3.48Å; T125-D128 PolarHBondContact OG1-N 3Å; T125-D128 PolarHBondContact OG1-OD2 3.21Å; T125-F129 WeakPolarHBondContact O-CB 3.29Å; T125-F129 WeakPolarHBondContact O-CD2 3.4Å; T125-F129 PolarHBondContact O-N 2.95Å
126V84.9Confident75.4Confident33 Ų3375.4 Ų75.420%0.243%0.434CS..Hα-helixtrans-62-39.1177.2175.70000109.8L130 I182 A194V126-L130 HydrophobicContact CG1-CB 4.1Å; V126-L130 HydrophobicContact CG1-CD2 3.8Å; V126-L130 WeakPolarHBondContact O-CB 3.33Å; V126-L130 PolarHBondContact O-N 2.94Å; V126-L130 VanDerWaalsContact O-N 3.13Å; V126-I182 HydrophobicContact CG1-CG2 4.14Å; V126-A194 HydrophobicContact CG1-CB 4.14Å; V126-A194 HydrophobicContact CG2-CB 3.7Å
127E86.2Confident77.7Confident161 Ų16170.6 Ų70.675%0.75240%0.404SS*.Hα-helixtrans-69.3-36.6-174.7-61.173.1-160.400113T125T125-E127 PolarHBondContact O-N 3.27Å
128D87Confident79.9Confident74 Ų7470.3 Ų70.340%0.39641%0.408SS..Hα-helixtrans-91.6-21.2-176-74.3-70.9000114.2T125 K140T125-D128 WeakPolarHBondContact OG1-CB 3.48Å; T125-D128 PolarHBondContact OG1-N 3Å; T125-D128 PolarHBondContact OG1-OD2 3.21Å; D128-K140 IonicContact OD1-NZ 3.86Å; D128-K140 PolarHBondContact OD1-NZ 3.09Å
129F90.8Very high82.2Confident29 Ų2970.9 Ų70.913%0.12740%0.403CS..Hα-helixtrans-125.7-31.5-166.1-63.8-91000114.6G123 L124 T125 G131 V132 I137 K140 L141 L144G123-F129 WeakPolarHBondContact O-CE2 3.43Å; L124-F129 HydrophobicContact CB-CD2 4.43Å; L124-F129 HydrophobicContact CD2-CD1 3.57Å; L124-F129 HydrophobicContact CD2-CD2 4Å; L124-F129 HydrophobicContact CD2-CE1 3.63Å; L124-F129 HydrophobicContact CD2-CE2 4.04Å; L124-F129 HydrophobicContact CD2-CG 3.78Å; L124-F129 HydrophobicContact CD2-CZ 3.87Å; T125-F129 WeakPolarHBondContact O-CB 3.29Å; T125-F129 WeakPolarHBondContact O-CD2 3.4Å; T125-F129 PolarHBondContact O-N 2.95Å; F129-G131 PolarHBondContact O-N 2.88Å; F129-V132 PolarHBondContact O-N 2.92Å; F129-I137 HydrophobicContact CD1-CB 4.32Å; F129-I137 HydrophobicContact CD1-CD1 3.73Å; F129-I137 HydrophobicContact CD1-CG2 4.41Å; F129-I137 HydrophobicContact CE1-CB 4.42Å; F129-I137 HydrophobicContact CE1-CD1 4.48Å; F129-K140 HydrophobicContact CE1-CB 3.89Å; F129-K140 HydrophobicContact CE1-CD 4.29Å; F129-K140 HydrophobicContact CZ-CB 3.97Å; F129-K140 HydrophobicContact CZ-CD 4.05Å; F129-L141 HydrophobicContact CD1-CD2 4.18Å; F129-L141 HydrophobicContact CE1-CD2 3.96Å; F129-L144 HydrophobicContact CE1-CD1 4.17Å; F129-L144 HydrophobicContact CE2-CD1 4.33Å; F129-L144 HydrophobicContact CZ-CD1 3.62Å
130L91.2Very high84.3Confident46 Ų4666.2 Ų66.224%0.24138%0.377CS..THydrogen-bonded Turntrans-72.4126.9-174.5-169.566.4000111V126 V132 I182 A194 L196V126-L130 HydrophobicContact CG1-CB 4.1Å; V126-L130 HydrophobicContact CG1-CD2 3.8Å; V126-L130 WeakPolarHBondContact O-CB 3.33Å; V126-L130 PolarHBondContact O-N 2.94Å; V126-L130 VanDerWaalsContact O-N 3.13Å; L130-V132 PolarHBondContact O-N 3.49Å; L130-I182 HydrophobicContact CD2-CB 4.38Å; L130-I182 HydrophobicContact CD2-CD1 4.48Å; L130-I182 HydrophobicContact CD2-CG1 4.05Å; L130-I182 HydrophobicContact CD2-CG2 3.7Å; L130-A194 HydrophobicContact CD2-CB 3.94Å; L130-L196 HydrophobicContact CD1-CD2 4.34Å; L130-L196 HydrophobicContact CD1-CG 3.9Å; L130-L196 HydrophobicContact CD2-CD2 3.82Å; L130-L196 HydrophobicContact CD2-CG 4.26Å; L130-L196 HydrophobicContact CG-CD1 4.49Å; L130-L196 HydrophobicContact CG-CD2 3.71Å; L130-L196 HydrophobicContact CG-CG 3.81Å
131G90.9Very high86.1Confident53 Ų5364.8 Ų64.855%0.54637%0.365SS..THydrogen-bonded Turntrans76.14.9-179.600000115.4F129F129-G131 PolarHBondContact O-N 2.88Å
132V91.6Very high87.3Confident60 Ų6070.4 Ų70.436%0.36438%0.38SS..  trans-88.2140.7178.1-170.50000110.4F129 L130 L134 I137F129-V132 PolarHBondContact O-N 2.92Å; L130-V132 PolarHBondContact O-N 3.49Å; V132-L134 PolarHBondContact O-N 2.9Å; V132-I137 HydrophobicContact CB-CG2 4.12Å; V132-I137 HydrophobicContact CG1-CG2 3.64Å
133H91.7Very high88.2Confident137 Ų13768.6 Ų68.663%0.63437%0.373SS*.  trans-60.7131.2170.8-74.1-83.8000110.9S135 S136H133-S135 PolarHBondContact O-N 2.86Å; H133-S135 VanDerWaalsContact O-N 3.1Å; H133-S136 WeakPolarHBondContact O-CB 3.23Å; H133-S136 PolarHBondContact O-N 3.28Å
134L91Very high88.6Confident67 Ų6767.9 Ų67.935%0.35136%0.361SS..Hα-helixtrans-51.5-37.8179-75.7178.5000113.3K11 V132 S136 I137 A138 L141 F160 T162K11-L134 HydrophobicContact CD-CD1 3.74Å; V132-L134 PolarHBondContact O-N 2.9Å; L134-S136 PolarHBondContact O-N 2.87Å; L134-I137 HydrophobicContact CD2-CD1 4.25Å; L134-I137 PolarHBondContact O-N 3.46Å; L134-A138 WeakPolarHBondContact O-CB 3.46Å; L134-A138 PolarHBondContact O-N 3.04Å; L134-L141 HydrophobicContact CD2-CD1 4.12Å; L134-F160 HydrophobicContact CD2-CE2 3.9Å; L134-F160 HydrophobicContact CD2-CZ 4.46Å; L134-T162 HydrophobicContact CD1-CG2 4.12Å; L134-T162 HydrophobicContact CD2-CG2 4.35Å; L134-T162 HydrophobicContact CG-CG2 4.4Å
135S87.4Confident88.5Confident102 Ų10268.1 Ų68.171%0.71337%0.366SS*.Hα-helixtrans-59.1-30.8177.854.10000113.2H133H133-S135 PolarHBondContact O-N 2.86Å; H133-S135 VanDerWaalsContact O-N 3.1Å
136S89.2Confident88.2Confident72 Ų7269.3 Ų69.350%0.50337%0.373SS..Hα-helixtrans-81.3-24.2-178.5-54.20000112.7H133 L134H133-S136 WeakPolarHBondContact O-CB 3.23Å; H133-S136 PolarHBondContact O-N 3.28Å; L134-S136 PolarHBondContact O-N 2.87Å
137I90.6Very high87.5Confident11 Ų1170.8 Ų70.86%0.05638%0.384CS..Hα-helixtrans-109.90.5-178.955.1164.6000113.5F129 V132 L134 Y139 K140 L141F129-I137 HydrophobicContact CD1-CB 4.32Å; F129-I137 HydrophobicContact CD1-CD1 3.73Å; F129-I137 HydrophobicContact CD1-CG2 4.41Å; F129-I137 HydrophobicContact CE1-CB 4.42Å; F129-I137 HydrophobicContact CE1-CD1 4.48Å; V132-I137 HydrophobicContact CB-CG2 4.12Å; V132-I137 HydrophobicContact CG1-CG2 3.64Å; L134-I137 HydrophobicContact CD2-CD1 4.25Å; L134-I137 PolarHBondContact O-N 3.46Å; I137-Y139 PolarHBondContact O-N 2.94Å; I137-Y139 VanDerWaalsContact O-N 3.07Å; I137-K140 HydrophobicContact CG2-CD 4.44Å; I137-K140 WeakPolarHBondContact O-CA 3.38Å; I137-K140 WeakPolarHBondContact O-CB 3.46Å; I137-K140 PolarHBondContact O-N 3.25Å; I137-L141 HydrophobicContact CD1-CD1 4.16Å; I137-L141 HydrophobicContact CD1-CD2 4.49Å; I137-L141 HydrophobicContact CD1-CG 4.35Å; I137-L141 HydrophobicContact CG1-CD1 4.26Å; I137-L141 HydrophobicContact CG1-CG 4.46Å; I137-L141 WeakPolarHBondContact O-CG 3.13Å; I137-L141 PolarHBondContact O-N 3.3Å
138A89Confident86.7Confident32 Ų3268.5 Ų68.526%0.26438%0.382SS..Hα-helixtrans-54.3-33.1-177.700000113.4L134 R142L134-A138 WeakPolarHBondContact O-CB 3.46Å; L134-A138 PolarHBondContact O-N 3.04Å; A138-R142 VanDerWaalsContact O-CG 3.32Å; A138-R142 WeakPolarHBondContact O-CG 3.47Å; A138-R142 PolarHBondContact O-N 3.08Å; A138-R142 PolarHBondContact O-NE 2.89Å
139Y88.5Confident86Confident119 Ų11969.7 Ų69.747%0.46738%0.382SS..Hα-helixtrans-73.2-40.8175.583-87.9000112I137 R142 Q143I137-Y139 PolarHBondContact O-N 2.94Å; I137-Y139 VanDerWaalsContact O-N 3.07Å; Y139-R142 WeakPolarHBondContact O-CB 3.38Å; Y139-R142 PolarHBondContact O-N 2.97Å; Y139-Q143 WeakPolarHBondContact O-CG 3.36Å; Y139-Q143 PolarHBondContact O-N 3.28Å
140K90.8Very high85Confident48 Ų4870.8 Ų70.821%0.20939%0.393CS..Hα-helixtrans-62.5-43.9175.8-64.1-170.6179.6-179.50110.5D128 F129 I137 R142 Q143 L144D128-K140 IonicContact OD1-NZ 3.86Å; D128-K140 PolarHBondContact OD1-NZ 3.09Å; F129-K140 HydrophobicContact CE1-CB 3.89Å; F129-K140 HydrophobicContact CE1-CD 4.29Å; F129-K140 HydrophobicContact CZ-CB 3.97Å; F129-K140 HydrophobicContact CZ-CD 4.05Å; I137-K140 HydrophobicContact CG2-CD 4.44Å; I137-K140 WeakPolarHBondContact O-CA 3.38Å; I137-K140 WeakPolarHBondContact O-CB 3.46Å; I137-K140 PolarHBondContact O-N 3.25Å; K140-R142 VanDerWaalsContact C-N 3.3Å; K140-R142 PolarHBondContact O-N 2.76Å; K140-Q143 WeakPolarHBondContact O-CB 3.36Å; K140-Q143 PolarHBondContact O-N 2.77Å; K140-Q143 VanDerWaalsContact O-N 3.11Å; K140-L144 WeakPolarHBondContact O-CG 3.29Å; K140-L144 PolarHBondContact O-N 2.76Å
141L90.5Very high84.5Confident8 Ų869.2 Ų69.24%0.04238%0.384CS..Hα-helixtrans-59-42.2175.8-64.7176.1000111.3L124 F129 L134 I137 Q143 L144 S145 L151 V153 F160L124-L141 HydrophobicContact CD2-CD2 4.02Å; F129-L141 HydrophobicContact CD1-CD2 4.18Å; F129-L141 HydrophobicContact CE1-CD2 3.96Å; L134-L141 HydrophobicContact CD2-CD1 4.12Å; I137-L141 HydrophobicContact CD1-CD1 4.16Å; I137-L141 HydrophobicContact CD1-CD2 4.49Å; I137-L141 HydrophobicContact CD1-CG 4.35Å; I137-L141 HydrophobicContact CG1-CD1 4.26Å; I137-L141 HydrophobicContact CG1-CG 4.46Å; I137-L141 WeakPolarHBondContact O-CG 3.13Å; I137-L141 PolarHBondContact O-N 3.3Å; L141-Q143 PolarHBondContact O-N 3.16Å; L141-L144 PolarHBondContact O-N 3.47Å; L141-S145 PolarHBondContact O-N 2.91Å; L141-S145 VanDerWaalsContact O-N 3.08Å; L141-L151 HydrophobicContact CD2-CD2 3.66Å; L141-V153 HydrophobicContact CB-CG1 4.42Å; L141-F160 HydrophobicContact CD1-CZ 4.31Å; L141-F160 HydrophobicContact CD2-CE1 4.14Å
142R87.3Confident83.8Confident148 Ų14867.9 Ų67.956%0.55837%0.365SS*.Hα-helixtrans-62.8-41.1174-71.2176.7-140-129.79.1112.4A138 Y139 K140 L144 S145A138-R142 VanDerWaalsContact O-CG 3.32Å; A138-R142 WeakPolarHBondContact O-CG 3.47Å; A138-R142 PolarHBondContact O-N 3.08Å; A138-R142 PolarHBondContact O-NE 2.89Å; Y139-R142 WeakPolarHBondContact O-CB 3.38Å; Y139-R142 PolarHBondContact O-N 2.97Å; K140-R142 VanDerWaalsContact C-N 3.3Å; K140-R142 PolarHBondContact O-N 2.76Å; R142-L144 VanDerWaalsContact C-N 3.28Å; R142-L144 PolarHBondContact O-N 2.94Å; R142-S145 PolarHBondContact O-N 3Å; R142-S145 VanDerWaalsContact O-N 3.11Å; R142-S145 PolarHBondContact O-OG 2.9Å
143Q86.8Confident83.5Confident116 Ų11667.9 Ų67.954%0.54237%0.365SS..Hα-helixtrans-62.1-35.6175-70.8176.3-27.400112.5Y139 K140 L141 S145 V146Y139-Q143 WeakPolarHBondContact O-CG 3.36Å; Y139-Q143 PolarHBondContact O-N 3.28Å; K140-Q143 WeakPolarHBondContact O-CB 3.36Å; K140-Q143 PolarHBondContact O-N 2.77Å; K140-Q143 VanDerWaalsContact O-N 3.11Å; L141-Q143 PolarHBondContact O-N 3.16Å; Q143-S145 VanDerWaalsContact C-N 3.28Å; Q143-S145 PolarHBondContact O-N 2.97Å; Q143-V146 WeakPolarHBondContact O-CG2 3.3Å
144L86.6Confident83Confident19 Ų1963.5 Ų63.510%0.09935%0.349CS..Hα-helixtrans-78.4-9.3175.8-66.5176.8000113.6L124 F129 K140 L141 R142 W149 L151L124-L144 HydrophobicContact CD2-CD1 3.76Å; L124-L144 HydrophobicContact CG-CD1 4.5Å; F129-L144 HydrophobicContact CE1-CD1 4.17Å; F129-L144 HydrophobicContact CE2-CD1 4.33Å; F129-L144 HydrophobicContact CZ-CD1 3.62Å; K140-L144 WeakPolarHBondContact O-CG 3.29Å; K140-L144 PolarHBondContact O-N 2.76Å; L141-L144 PolarHBondContact O-N 3.47Å; R142-L144 VanDerWaalsContact C-N 3.28Å; R142-L144 PolarHBondContact O-N 2.94Å; L144-W149 HydrophobicContact CD2-CD2 4.22Å; L144-W149 HydrophobicContact CD2-CG 4.13Å; L144-W149 WeakPolarHBondContact O-CB 3.44Å; L144-L151 HydrophobicContact CB-CB 3.87Å; L144-L151 HydrophobicContact CB-CD2 3.57Å; L144-L151 HydrophobicContact CB-CG 4.35Å; L144-L151 HydrophobicContact CD1-CD2 3.97Å; L144-L151 HydrophobicContact CG-CD2 4.44Å; L144-L151 WeakPolarHBondContact O-CB 3.48Å; L144-L151 PolarHBondContact O-N 2.96Å
145S81.8Confident82.6Confident42 Ų4260.6 Ų60.629%0.29434%0.335SS..THydrogen-bonded Turntrans-86.5-12.1177.773.30000114L141 R142 Q143 L151L141-S145 PolarHBondContact O-N 2.91Å; L141-S145 VanDerWaalsContact O-N 3.08Å; R142-S145 PolarHBondContact O-N 3Å; R142-S145 VanDerWaalsContact O-N 3.11Å; R142-S145 PolarHBondContact O-OG 2.9Å; Q143-S145 VanDerWaalsContact C-N 3.28Å; Q143-S145 PolarHBondContact O-N 2.97Å; S145-L151 WeakPolarHBondContact CA-O 3.5Å; S145-L151 VanDerWaalsContact CB-O 3.32Å; S145-L151 WeakPolarHBondContact CB-O 3.21Å
146V77.5Confident81.9Confident78 Ų7856.6 Ų56.647%0.47331%0.305SS..SBendtrans-100.6150.3-179.7-64.10000111.6Q143 W149Q143-V146 WeakPolarHBondContact O-CG2 3.3Å; V146-W149 CarbonylContact C-O 3.4Å; V146-W149 VanDerWaalsContact C-O 3.25Å; V146-W149 CarbonylContact O-C 3.35Å; V146-W149 PolarHBondContact O-N 3.22Å; V146-W149 VanDerWaalsContact O-O 3.12Å
147P70.1Confident80.9Confident65 Ų6553.5 Ų53.542%0.42229%0.285SS..THydrogen-bonded Turntrans-51.9143.3177.4-28.135.3000113.3W149P147-W149 VanDerWaalsContact C-N 3.32Å
148P70.6Confident80.1Confident112 Ų11254.8 Ų54.873%0.72730%0.301SS*.THydrogen-bonded Turncis-77.2-5.68.232.6-38.3000115.2
149W71.5Confident79.6Confident100 Ų10054.8 Ų54.838%0.37930%0.296SS..  trans-83.3163.7178.4-54.6-85.9000112F122 L144 V146 P147F122-W149 AromaticContact CD1-CD1 3.65Å; F122-W149 AromaticContact CD1-NE1 3.52Å; L144-W149 HydrophobicContact CD2-CD2 4.22Å; L144-W149 HydrophobicContact CD2-CG 4.13Å; L144-W149 WeakPolarHBondContact O-CB 3.44Å; V146-W149 CarbonylContact C-O 3.4Å; V146-W149 VanDerWaalsContact C-O 3.25Å; V146-W149 CarbonylContact O-C 3.35Å; V146-W149 PolarHBondContact O-N 3.22Å; V146-W149 VanDerWaalsContact O-O 3.12Å; P147-W149 VanDerWaalsContact C-N 3.32Å
150S71Confident79.5Confident52 Ų5250.8 Ų50.836%0.36428%0.281SS..  trans-139.625.5-178.161.90000112.9N152S150-N152 PolarHBondContact O-N 3.48Å
151L79.3Confident79.4Confident12 Ų1255.8 Ų55.86%0.06331%0.305CS..  trans-58.3130.8-178.5-176.174.7000110.4A121 L124 L141 L144 S145 V153 E159A121-L151 HydrophobicContact CB-CD1 4Å; L124-L151 HydrophobicContact CD1-CD1 3.85Å; L124-L151 HydrophobicContact CD2-CD2 4.01Å; L124-L151 HydrophobicContact CG-CD1 4.13Å; L124-L151 HydrophobicContact CG-CD2 4.46Å; L141-L151 HydrophobicContact CD2-CD2 3.66Å; L144-L151 HydrophobicContact CB-CB 3.87Å; L144-L151 HydrophobicContact CB-CD2 3.57Å; L144-L151 HydrophobicContact CB-CG 4.35Å; L144-L151 HydrophobicContact CD1-CD2 3.97Å; L144-L151 HydrophobicContact CG-CD2 4.44Å; L144-L151 WeakPolarHBondContact O-CB 3.48Å; L144-L151 PolarHBondContact O-N 2.96Å; S145-L151 WeakPolarHBondContact CA-O 3.5Å; S145-L151 VanDerWaalsContact CB-O 3.32Å; S145-L151 WeakPolarHBondContact CB-O 3.21Å; L151-V153 PolarHBondContact O-N 3.49Å; L151-E159 HydrophobicContact CD1-CB 3.51Å; L151-E159 HydrophobicContact CD1-CG 3.6Å
152N77.7Confident79.4Confident26 Ų2656.9 Ų56.914%0.13931%0.312CS..  trans-74.3117.1164.1-166.3-37.2000109.2S150 C154 G155 E159S150-N152 PolarHBondContact O-N 3.48Å; N152-C154 PolarHBondContact O-N 2.97Å; N152-C154 WeakPolarHBondContact OD1-CB 3.3Å; N152-C154 PolarHBondContact OD1-N 2.91Å; N152-G155 PolarHBondContact O-N 3.03Å; N152-E159 WeakPolarHBondContact CB-OE1 3.19Å; N152-E159 PolarHBondContact N-OE1 3.44Å
153V83.7Confident79.6Confident59 Ų5952.6 Ų52.636%0.35830%0.302SS..THydrogen-bonded Turntrans-60.5-19.4179-61.10000113.5L141 L151 F160L141-V153 HydrophobicContact CB-CG1 4.42Å; L151-V153 PolarHBondContact O-N 3.49Å; V153-F160 WeakPolarHBondContact O-CZ 3.5Å
154C81.7Confident79.9Confident46 Ų4648 Ų4831%0.31128%0.282SS..THydrogen-bonded Turntrans-92.3-4.4175.1-62.70000113.1K11 N152 E156K11-C154 WeakPolarHBondContact CE-O 3.23Å; K11-C154 PolarHBondContact NZ-O 3.34Å; N152-C154 PolarHBondContact O-N 2.97Å; N152-C154 WeakPolarHBondContact OD1-CB 3.3Å; N152-C154 PolarHBondContact OD1-N 2.91Å; C154-E156 VanDerWaalsContact C-N 3.27Å; C154-E156 HydrophobicContact CB-CG 3.99Å; C154-E156 PolarHBondContact O-N 3.01Å
155G82.1Confident80.2Confident6 Ų649.2 Ų49.26%0.06229%0.288CS..  trans7412.3179.200000115.1N152 G157 G158 E159N152-G155 PolarHBondContact O-N 3.03Å; G155-G157 PolarHBondContact O-N 2.68Å; G155-G157 VanDerWaalsContact O-N 3.12Å; G155-G158 PolarHBondContact O-N 2.91Å; G155-G158 VanDerWaalsContact O-N 3.09Å; G155-E159 WeakPolarHBondContact CA-OE2 3.26Å
156E73.8Confident80.7Confident17 Ų1750.5 Ų50.58%0.07929%0.292CS..THydrogen-bonded Turntrans-67.9-4.7-178.2-58.2-70.6131.100114.2I107 L108 Y114 C154 E159I107-E156 HydrophobicContact CB-CG 4.38Å; I107-E156 WeakPolarHBondContact CB-OE1 3.36Å; I107-E156 PolarHBondContact N-OE2 3.34Å; L108-E156 HydrophobicContact CB-CB 3.94Å; L108-E156 HydrophobicContact CB-CG 3.82Å; L108-E156 HydrophobicContact CD2-CB 4.48Å; L108-E156 PolarHBondContact N-OE2 3.13Å; Y114-E156 WeakPolarHBondContact CE1-O 3.31Å; Y114-E156 VanDerWaalsContact CE2-O 3.32Å; Y114-E156 WeakPolarHBondContact CE2-O 3.36Å; Y114-E156 PolarHBondContact OH-O 3.24Å; C154-E156 VanDerWaalsContact C-N 3.27Å; C154-E156 HydrophobicContact CB-CG 3.99Å; C154-E156 PolarHBondContact O-N 3.01Å; E156-E159 PolarHBondContact N-OE2 2.95Å
157G67.4Low81.5Confident7 Ų747.3 Ų47.37%0.07227%0.273CS..THydrogen-bonded Turntrans-93.94.4172.500000113Y114 G155 E159Y114-G157 VanDerWaalsContact CD1-C 3.48Å; Y114-G157 WeakPolarHBondContact CD1-O 3.48Å; G155-G157 PolarHBondContact O-N 2.68Å; G155-G157 VanDerWaalsContact O-N 3.12Å; G157-E159 VanDerWaalsContact C-N 3.31Å; G157-E159 WeakPolarHBondContact CA-OE2 3.38Å; G157-E159 PolarHBondContact N-OE2 3.43Å
158G73.7Confident82.5Confident39 Ų3946 Ų4640%0.40226%0.264SS..SBendtrans79.120.5-172.600000111.9G155G155-G158 PolarHBondContact O-N 2.91Å; G155-G158 VanDerWaalsContact O-N 3.09Å
159E79.1Confident83.6Confident31 Ų3140.9 Ų40.915%0.14523%0.231CC..SBendtrans-71.5-35.5-175-58.9110.713800112.4A121 L124 L151 N152 G155 E156 G157A121-E159 HydrophobicContact CB-CB 3.4Å; A121-E159 HydrophobicContact CB-CG 3.56Å; L124-E159 HydrophobicContact CD1-CB 4Å; L124-E159 VanDerWaalsContact CD1-O 3.3Å; L124-E159 WeakPolarHBondContact CD1-O 3.14Å; L151-E159 HydrophobicContact CD1-CB 3.51Å; L151-E159 HydrophobicContact CD1-CG 3.6Å; N152-E159 WeakPolarHBondContact CB-OE1 3.19Å; N152-E159 PolarHBondContact N-OE1 3.44Å; G155-E159 WeakPolarHBondContact CA-OE2 3.26Å; E156-E159 PolarHBondContact N-OE2 2.95Å; G157-E159 VanDerWaalsContact C-N 3.31Å; G157-E159 WeakPolarHBondContact CA-OE2 3.38Å; G157-E159 PolarHBondContact N-OE2 3.43Å
160F86.7Confident84.7Confident35 Ų3536.2 Ų36.215%0.15421%0.213CC..  trans-154.4147.1173.360.6-89.9000110.2L124 L134 L141 V153 T162L124-F160 HydrophobicContact CD1-CB 4.26Å; L124-F160 HydrophobicContact CD1-CD1 3.97Å; L134-F160 HydrophobicContact CD2-CE2 3.9Å; L134-F160 HydrophobicContact CD2-CZ 4.46Å; L141-F160 HydrophobicContact CD1-CZ 4.31Å; L141-F160 HydrophobicContact CD2-CE1 4.14Å; V153-F160 WeakPolarHBondContact O-CZ 3.5Å; F160-T162 HydrophobicContact CD2-CG2 3.88Å; F160-T162 HydrophobicContact CE2-CG2 3.98Å
161E87.6Confident85.7Confident153 Ų15336.2 Ų36.272%0.71521%0.209SC*.  trans-103.5160.4172.2-66.7-62.1166.100110.5
162T91.7Very high86.4Confident32 Ų3236.7 Ų36.720%0.19621%0.213CC..  trans-133.5158.1-177.956.60000111.8G10 K11 L134 F160G10-T162 WeakPolarHBondContact CA-O 3.49Å; K11-T162 WeakPolarHBondContact CB-OG1 3.25Å; K11-T162 HydrophobicContact CD-CG2 3.84Å; K11-T162 WeakPolarHBondContact CG-OG1 3.09Å; K11-T162 PolarHBondContact N-OG1 3.12Å; L134-T162 HydrophobicContact CD1-CG2 4.12Å; L134-T162 HydrophobicContact CD2-CG2 4.35Å; L134-T162 HydrophobicContact CG-CG2 4.4Å; F160-T162 HydrophobicContact CD2-CG2 3.88Å; F160-T162 HydrophobicContact CE2-CG2 3.98Å
163V91.6Very high87.1Confident57 Ų5738.7 Ų38.735%0.34522%0.219SC..  trans-125.1132.9172.163.20000108.8I46 M50 L165 L198I46-V163 HydrophobicContact CD1-CG2 3.88Å; M50-V163 HydrophobicContact SD-CG2 3.76Å; V163-L165 HydrophobicContact CG1-CD2 4.29Å; V163-L165 HydrophobicContact CG2-CD2 4.2Å; V163-L198 HydrophobicContact CG1-CD1 4.16Å; V163-L198 HydrophobicContact CG2-CD1 4.39Å
164T93.6Very high87.6Confident19 Ų1936.3 Ų36.312%0.11720%0.204CC..  trans-95.4107178.2-51.60000109.8G9 G10 I14 C167 F170G9-T164 WeakPolarHBondContact O-CB 3.41Å; G9-T164 PolarHBondContact O-N 3.46Å; G9-T164 PolarHBondContact O-OG1 3.21Å; G9-T164 VanDerWaalsContact O-OG1 3.11Å; G10-T164 PolarHBondContact O-OG1 2.96Å; I14-T164 HydrophobicContact CB-CG2 4.4Å; I14-T164 HydrophobicContact CG1-CG2 4.38Å; I14-T164 HydrophobicContact CG2-CG2 4.01Å; T164-C167 HydrophobicContact CG2-CB 4.09Å; T164-F170 HydrophobicContact CG2-CE2 4.24Å; T164-F170 HydrophobicContact CG2-CZ 4.25Å
165L92.4Very high88Confident46 Ų4640.4 Ų40.424%0.24121%0.213CC..SBendtrans-83.4-30.7180-59.6-178.6000113.1V163 I174 L176 L198V163-L165 HydrophobicContact CG1-CD2 4.29Å; V163-L165 HydrophobicContact CG2-CD2 4.2Å; L165-I174 HydrophobicContact CD2-CB 4.37Å; L165-I174 HydrophobicContact CD2-CG2 4.34Å; L165-I174 WeakPolarHBondContact O-CB 3.23Å; L165-I174 PolarHBondContact O-N 2.95Å; L165-L176 HydrophobicContact CD1-CD1 4.28Å; L165-L176 HydrophobicContact CD1-CG 4.3Å; L165-L176 HydrophobicContact CD2-CD2 4.26Å; L165-L198 HydrophobicContact CD2-CD1 4.28Å
166D93Very high88.4Confident68 Ų6842.9 Ų42.936%0.36423%0.225SC..  trans-152.1146.7174.9-170.612.8000109.8R173 K206D166-R173 HydrophobicContact CB-CB 3.81Å; D166-K206 WeakPolarHBondContact OD1-CD 3.47Å; D166-K206 IonicContact OD1-NZ 2.65Å; D166-K206 PolarHBondContact OD1-NZ 2.72Å; D166-K206 IonicContact OD2-NZ 2.88Å
167C92.3Very high89.2Confident12 Ų1247.4 Ų47.48%0.08125%0.246CC..  trans-157.1165.2168.166.40000110.2I14 M18 T164 I169 F170 K206I14-C167 HydrophobicContact CG2-CB 4.09Å; I14-C167 WeakPolarHBondContact CG2-SG 3.4Å; M18-C167 HydrophobicContact CE-CB 4.43Å; M18-C167 HydrophobicContact SD-CB 4.36Å; T164-C167 HydrophobicContact CG2-CB 4.09Å; C167-I169 PolarHBondContact O-N 2.68Å; C167-I169 VanDerWaalsContact O-N 3.11Å; C167-I169 WeakPolarHBondContact SG-CG1 3.35Å; C167-F170 WeakPolarHBondContact O-CB 3.44Å; C167-F170 PolarHBondContact O-N 3.41Å; C167-F170 WeakPolarHBondContact SG-CD1 3.41Å; C167-F170 WeakPolarHBondContact SG-CE1 3.46Å; C167-F170 VanDerWaalsContact SG-CG 3.58Å; C167-K206 PolarHBondContact O-NZ 3.16Å
168P93Very high90.2Very high37 Ų3749 Ų4924%0.2426%0.256CS..THydrogen-bonded Turntrans-60.6-21.9-175.8-25.333.5000115.6M18 F170 V211 C212 F218 L221M18-P168 HydrophobicContact SD-CG 4.38Å; P168-F170 VanDerWaalsContact C-N 3.33Å; P168-V211 CarbonylContact O-C 3.51Å; P168-V211 WeakPolarHBondContact O-CA 3.4Å; P168-C212 HydrophobicContact CB-CB 3.88Å; P168-C212 PolarHBondContact O-N 2.99Å; P168-F218 HydrophobicContact CB-CE1 3.9Å; P168-F218 HydrophobicContact CB-CZ 4.45Å; P168-L221 HydrophobicContact CB-CD1 4.19Å; P168-L221 HydrophobicContact CG-CD1 3.87Å
169I93.4Very high91Very high5 Ų555.4 Ų55.43%0.02628%0.275CS..THydrogen-bonded Turntrans-77.2-17.5175.453.7166.9000113.6I14 I17 M18 I21 C167 F218I14-I169 HydrophobicContact CG2-CD1 4.14Å; I17-I169 HydrophobicContact CB-CD1 4.13Å; I17-I169 HydrophobicContact CD1-CD1 4.35Å; I17-I169 HydrophobicContact CG2-CD1 3.63Å; I17-I169 HydrophobicContact CG2-CG2 4.48Å; M18-I169 HydrophobicContact CG-CG1 4.4Å; M18-I169 HydrophobicContact CG-CG2 3.74Å; I21-I169 HydrophobicContact CD1-CG2 3.82Å; C167-I169 PolarHBondContact O-N 2.68Å; C167-I169 VanDerWaalsContact O-N 3.11Å; C167-I169 WeakPolarHBondContact SG-CG1 3.35Å; I169-F218 HydrophobicContact CG2-CE1 4.16Å; I169-F218 HydrophobicContact CG2-CE2 4.21Å; I169-F218 HydrophobicContact CG2-CZ 3.37Å
170F94Very high91.5Very high2 Ų255.6 Ų55.61%0.00928%0.279CS..  trans-78.7133.3-176.1-67-2.8000111.1I14 S53 V54 T164 C167 P168 S172 K206 V211I14-F170 HydrophobicContact CD1-CE1 4.12Å; I14-F170 HydrophobicContact CD1-CZ 4.12Å; I14-F170 HydrophobicContact CG1-CZ 4.47Å; I14-F170 HydrophobicContact CG2-CE1 4.39Å; I14-F170 HydrophobicContact CG2-CZ 4.44Å; S53-F170 CarbonylContact O-C 3.56Å; S53-F170 VanDerWaalsContact OG-CD1 3.28Å; S53-F170 WeakPolarHBondContact OG-CD1 3.14Å; S53-F170 VanDerWaalsContact OG-CD2 3.31Å; S53-F170 WeakPolarHBondContact OG-CD2 2.96Å; S53-F170 WeakPolarHBondContact OG-CG 3.45Å; V54-F170 HydrophobicContact CG2-CD1 3.67Å; V54-F170 HydrophobicContact CG2-CE1 3.58Å; T164-F170 HydrophobicContact CG2-CE2 4.24Å; T164-F170 HydrophobicContact CG2-CZ 4.25Å; C167-F170 WeakPolarHBondContact O-CB 3.44Å; C167-F170 PolarHBondContact O-N 3.41Å; C167-F170 WeakPolarHBondContact SG-CD1 3.41Å; C167-F170 WeakPolarHBondContact SG-CE1 3.46Å; C167-F170 VanDerWaalsContact SG-CG 3.58Å; P168-F170 VanDerWaalsContact C-N 3.33Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 WeakPolarHBondContact CB-O 3.36Å; F170-K206 WeakPolarHBondContact O-CD 3.19Å; F170-K206 PolarHBondContact O-NZ 2.83Å; F170-V211 WeakPolarHBondContact O-CG2 3.49Å
171N92.4Very high91.6Very high51 Ų5157.2 Ų57.227%0.27329%0.287SS..SBendtrans-71-27.3167.5-67.1-25.3000112.7S53 V54 K206 R213S53-N171 WeakPolarHBondContact O-CA 3.38Å; S53-N171 VanDerWaalsContact O-CB 3.3Å; S53-N171 WeakPolarHBondContact O-CB 3.41Å; S53-N171 PolarHBondContact O-N 3.24Å; V54-N171 PolarHBondContact O-ND2 2.87Å; N171-K206 WeakPolarHBondContact O-CB 3.32Å; N171-K206 PolarHBondContact O-N 3.43Å; N171-R213 VanDerWaalsContact CG-NH2 3.27Å; N171-R213 PolarHBondContact ND2-NH2 3.11Å; N171-R213 VanDerWaalsContact ND2-NH2 3.19Å; N171-R213 PolarHBondContact OD1-NH2 3.4Å
172S93.1Very high91.7Very high22 Ų2254.5 Ų54.515%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-136.1137.5179.8-58.20000109.7S53 F170 E204S53-S172 VanDerWaalsContact CB-O 3.27Å; S53-S172 WeakPolarHBondContact CB-O 3.4Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 WeakPolarHBondContact CB-O 3.36Å; S172-E204 CarbonylContact C-O 3.58Å; S172-E204 WeakPolarHBondContact CA-O 3.44Å; S172-E204 WeakPolarHBondContact CB-O 3.33Å
173R93.5Very high91.5Very high68 Ų6854.1 Ų54.126%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-82.5148.1169.658.7-174.2154.5-106.5-4.9110.1D166 E204 K206 E210D166-R173 HydrophobicContact CB-CB 3.81Å; R173-E204 HydrophobicContact CG-CB 3.87Å; R173-E204 HydrophobicContact CG-CG 4.48Å; R173-E204 IonicContact CZ-OE1 3.38Å; R173-E204 PolarHBondContact N-O 3.25Å; R173-E204 VanDerWaalsContact NE-CD 3.31Å; R173-E204 IonicContact NE-OE1 2.78Å; R173-E204 PolarHBondContact NE-OE1 3.24Å; R173-E204 VanDerWaalsContact NE-OE1 3.16Å; R173-E204 IonicContact NE-OE2 2.81Å; R173-E204 IonicContact NH2-OE1 3.77Å; R173-E204 PolarHBondContact NH2-OE1 3.5Å; R173-E204 PolarHBondContact O-N 3.45Å; R173-K206 HydrophobicContact CB-CD 4.25Å; R173-K206 HydrophobicContact CB-CG 4.43Å; R173-K206 HydrophobicContact CG-CG 4.41Å; R173-E210 IonicContact NH1-OE2 2.89Å; R173-E210 PolarHBondContact NH1-OE2 3.08Å
174I92.7Very high91.2Very high9 Ų954.5 Ų54.55%0.04628%0.277CS..EExtended strand (participates in β ladder)trans-91.1115.3177-51.4170000107.8M50 L165 L201 L203M50-I174 HydrophobicContact CB-CD1 4.1Å; M50-I174 HydrophobicContact CG-CD1 3.51Å; L165-I174 HydrophobicContact CD2-CB 4.37Å; L165-I174 HydrophobicContact CD2-CG2 4.34Å; L165-I174 WeakPolarHBondContact O-CB 3.23Å; L165-I174 PolarHBondContact O-N 2.95Å; I174-L201 HydrophobicContact CG2-CB 4.22Å; I174-L201 HydrophobicContact CG2-CD1 4.26Å; I174-L201 HydrophobicContact CG2-CD2 4.11Å; I174-L201 HydrophobicContact CG2-CG 4.44Å; I174-L203 HydrophobicContact CG1-CD2 3.88Å
175R91.7Very high90.5Very high133 Ų13360.7 Ų60.750%0.50230%0.304SS..EExtended strand (participates in β ladder)trans-103.7127.8179.8-172.9173.3-176.9147.8-0.3110.3L202 E204R175-L202 PolarHBondContact N-O 3.33Å; R175-L202 PolarHBondContact O-N 2.86Å; R175-E204 IonicContact NH1-OE2 2.96Å; R175-E204 PolarHBondContact NH1-OE2 3.19Å
176L90.1Very high89.8Confident58 Ų5860.5 Ų60.530%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-73.9123.4170.5-50.9-178.3000108.8L165 P180 L198 L201L165-L176 HydrophobicContact CD1-CD1 4.28Å; L165-L176 HydrophobicContact CD1-CG 4.3Å; L165-L176 HydrophobicContact CD2-CD2 4.26Å; L176-P180 HydrophobicContact CD1-CG 4.01Å; L176-L198 HydrophobicContact CD2-CB 4.38Å; L176-L198 HydrophobicContact CD2-CD1 3.95Å; L176-L198 HydrophobicContact CD2-CD2 4.34Å; L176-L198 HydrophobicContact CD2-CG 4.46Å; L176-L201 HydrophobicContact CD2-CD2 3.27Å
177Q90Very high88.8Confident112 Ų11265.6 Ų65.652%0.52333%0.326SS..SBendtrans-92.7-17173.1-62.1-68.9-43.200112.6N200 L202Q177-N200 HydrophobicContact CB-CB 3.99Å; Q177-N200 WeakPolarHBondContact CB-O 3.37Å; Q177-N200 WeakPolarHBondContact CG-O 2.98Å; Q177-N200 PolarHBondContact N-O 3.18Å; Q177-L202 HydrophobicContact CG-CB 4Å
178S89.5Confident88Confident40 Ų4067.8 Ų67.828%0.2834%0.336SS..SBendtrans-132.815517448.40000110.8R199 N200S178-R199 PolarHBondContact OG-O 3.19Å; S178-N200 PolarHBondContact OG-ND2 3.47Å
179E88.8Confident86.9Confident174 Ų17471.3 Ų71.381%0.81336%0.359SS*.PPolyproline II helixtrans-56.6137.4172.3-70.7-63.1158.600110.6
180P89.9Confident85.7Confident34 Ų3479.5 Ų79.522%0.22140%0.395CS..PPolyproline II helixtrans-54.5138172.5-28.337.3000112.8L176 L196 L198L176-P180 HydrophobicContact CD1-CG 4.01Å; P180-L196 HydrophobicContact CB-CB 4.28Å; P180-L196 HydrophobicContact CB-CD1 4.23Å; P180-L196 HydrophobicContact CB-CD2 3.81Å; P180-L196 HydrophobicContact CB-CG 4.32Å; P180-L198 HydrophobicContact CB-CD2 3.64Å; P180-L198 HydrophobicContact CG-CD2 3.63Å
181E89.8Confident84.6Confident70 Ų7081.7 Ų81.733%0.32741%0.411SS..EExtended strand (participates in β ladder)trans-82.8123.2169.1179-169.1170.400109.2V183 L196 R197 R199E181-V183 HydrophobicContact CG-CG2 4.07Å; E181-V183 PolarHBondContact O-N 2.92Å; E181-L196 WeakPolarHBondContact O-CA 3.28Å; E181-R197 HydrophobicContact CB-CB 4.21Å; E181-R197 PolarHBondContact N-O 2.64Å; E181-R197 PolarHBondContact O-N 3.23Å; E181-R197 IonicContact OE1-NH1 3.2Å; E181-R197 PolarHBondContact OE1-NH1 3.26Å; E181-R197 IonicContact OE2-CZ 3.37Å; E181-R197 IonicContact OE2-NH1 3.61Å; E181-R197 PolarHBondContact OE2-NH1 3.39Å; E181-R199 IonicContact OE2-CZ 3.88Å; E181-R199 IonicContact OE2-NE 3.95Å; E181-R199 IonicContact OE2-NH1 3.16Å; E181-R199 PolarHBondContact OE2-NH1 3.14Å; E181-R199 IonicContact OE2-NH2 3.35Å
182I89.9Confident83.9Confident95 Ų9582.6 Ų82.649%0.48742%0.419SS..EExtended strand (participates in β ladder)trans-81.2117.5171.6-62.7173.8000108.7V126 L130 A194 L196V126-I182 HydrophobicContact CG1-CG2 4.14Å; L130-I182 HydrophobicContact CD2-CB 4.38Å; L130-I182 HydrophobicContact CD2-CD1 4.48Å; L130-I182 HydrophobicContact CD2-CG1 4.05Å; L130-I182 HydrophobicContact CD2-CG2 3.7Å; I182-A194 HydrophobicContact CG2-CB 4.42Å; I182-L196 HydrophobicContact CG1-CD2 3.75Å
183V87.6Confident83.3Confident25 Ų2585 Ų8515%0.15243%0.433CS..EExtended strand (participates in β ladder)trans-109.8113.2176.8-173.70000109.4E181 H185 A194 Y195 R197E181-V183 HydrophobicContact CG-CG2 4.07Å; E181-V183 PolarHBondContact O-N 2.92Å; V183-H185 PolarHBondContact O-N 2.92Å; V183-A194 VanDerWaalsContact O-CA 3.26Å; V183-A194 WeakPolarHBondContact O-CA 3.48Å; V183-Y195 HydrophobicContact CB-CD1 4.25Å; V183-Y195 HydrophobicContact CB-CD2 4.19Å; V183-Y195 HydrophobicContact CB-CE1 3.81Å; V183-Y195 HydrophobicContact CB-CE2 3.73Å; V183-Y195 HydrophobicContact CB-CG 4.43Å; V183-Y195 HydrophobicContact CG1-CE1 3.69Å; V183-Y195 HydrophobicContact CG1-CE2 4.21Å; V183-Y195 WeakPolarHBondContact CG1-OH 3.47Å; V183-Y195 HydrophobicContact CG2-CE2 3.9Å; V183-Y195 PolarHBondContact N-O 3.33Å; V183-Y195 PolarHBondContact O-N 2.99Å; V183-R197 HydrophobicContact CG2-CB 4Å
184T84.6Confident82.9Confident65 Ų6583 Ų8340%0.39943%0.431SS..EExtended strand (participates in β ladder)trans-83108173.7-43.20000109.8S186 K187 T193T184-S186 WeakPolarHBondContact CG2-O 3.12Å; T184-K187 HydrophobicContact CG2-CG 3.58Å; T184-T193 CarbonylContact C-O 3.55Å
185H78.3Confident82.8Confident148 Ų14887 Ų8769%0.68545%0.446SS*.EExtended strand (participates in β ladder)trans-76.5-42.7178.2-175.170.2000112V183 T193 Y195V183-H185 PolarHBondContact O-N 2.92Å; H185-T193 HydrophobicContact CB-CG2 4.35Å; H185-T193 PolarHBondContact N-O 2.69Å; H185-Y195 HydrophobicContact CB-CD1 4.31Å; H185-Y195 HydrophobicContact CB-CE1 4.22Å
186S78Confident82.6Confident42 Ų4283 Ų8329%0.29443%0.434SS..EExtended strand (participates in β ladder)trans-130.8126.9174.4178.50000109.7T184 D188 P192 T193T184-S186 WeakPolarHBondContact CG2-O 3.12Å; S186-D188 VanDerWaalsContact C-N 3.29Å; S186-D188 PolarHBondContact OG-N 3.23Å; S186-P192 WeakPolarHBondContact O-CA 3.26Å; S186-T193 PolarHBondContact N-O 3.49Å; S186-T193 VanDerWaalsContact N-O 3.07Å; S186-T193 PolarHBondContact O-N 2.98Å
187K72.7Confident82.6Confident176 Ų17683 Ų8377%0.76543%0.43SS*.  trans-95.223.8175.2-65.7-175.2179.6-1760112.1T184T184-K187 HydrophobicContact CG2-CG 3.58Å
188D75Confident82.5Confident58 Ų5878.8 Ų78.831%0.3141%0.411SS..  trans-56.9127.6177.6-176.1-87.5000109.7S186 F190 S191 P192S186-D188 VanDerWaalsContact C-N 3.29Å; S186-D188 PolarHBondContact OG-N 3.23Å; D188-F190 PolarHBondContact O-N 3.11Å; D188-F190 VanDerWaalsContact O-N 3.16Å; D188-F190 WeakPolarHBondContact OD1-CA 3.39Å; D188-F190 WeakPolarHBondContact OD1-CB 3.37Å; D188-F190 PolarHBondContact OD1-N 2.86Å; D188-S191 WeakPolarHBondContact CB-OG 3.44Å; D188-S191 CarbonylContact O-C 3.54Å; D188-S191 PolarHBondContact O-N 3.45Å; D188-S191 PolarHBondContact OD1-N 3.45Å; D188-S191 PolarHBondContact OD1-OG 3.37Å; D188-P192 WeakPolarHBondContact O-CD 3.26Å; D188-P192 VanDerWaalsContact O-N 3.12Å
189P69Low82.3Confident111 Ų11181.5 Ų81.572%0.72142%0.415SS*.SBendtrans-67.3-15.2-174.423.3-30.9000113.5
190F68.6Low82.1Confident177 Ų17778 Ų7878%0.77640%0.402SS*.SBendtrans-106.3-23.1179.4-54-75.4000112.5D188D188-F190 PolarHBondContact O-N 3.11Å; D188-F190 VanDerWaalsContact O-N 3.16Å; D188-F190 WeakPolarHBondContact OD1-CA 3.39Å; D188-F190 WeakPolarHBondContact OD1-CB 3.37Å; D188-F190 PolarHBondContact OD1-N 2.86Å
191S72.2Confident82.1Confident48 Ų4876.8 Ų76.834%0.33639%0.394SS..SBendtrans-144.158.7-173.555.50000112.1D188 T193D188-S191 WeakPolarHBondContact CB-OG 3.44Å; D188-S191 CarbonylContact O-C 3.54Å; D188-S191 PolarHBondContact O-N 3.45Å; D188-S191 PolarHBondContact OD1-N 3.45Å; D188-S191 PolarHBondContact OD1-OG 3.37Å; S191-T193 PolarHBondContact O-N 3.46Å
192P76.1Confident82.1Confident69 Ų6977.6 Ų77.645%0.44840%0.4SS..  trans-63136.1178.628.4-34.1000109.7S186 D188S186-P192 WeakPolarHBondContact O-CA 3.26Å; D188-P192 WeakPolarHBondContact O-CD 3.26Å; D188-P192 VanDerWaalsContact O-N 3.12Å
193T80.5Confident82.2Confident74 Ų7475.2 Ų75.245%0.45439%0.388SS..EExtended strand (participates in β ladder)trans-118.5121.5174.6-50.50000108.2T184 H185 S186 S191T184-T193 CarbonylContact C-O 3.55Å; H185-T193 HydrophobicContact CB-CG2 4.35Å; H185-T193 PolarHBondContact N-O 2.69Å; S186-T193 PolarHBondContact N-O 3.49Å; S186-T193 VanDerWaalsContact N-O 3.07Å; S186-T193 PolarHBondContact O-N 2.98Å; S191-T193 PolarHBondContact O-N 3.46Å
194A86.4Confident82.5Confident24 Ų2476.7 Ų76.720%0.19839%0.393CS..EExtended strand (participates in β ladder)trans-136.3150.4176.700000110.5V126 L130 I182 V183V126-A194 HydrophobicContact CG1-CB 4.14Å; V126-A194 HydrophobicContact CG2-CB 3.7Å; L130-A194 HydrophobicContact CD2-CB 3.94Å; I182-A194 HydrophobicContact CG2-CB 4.42Å; V183-A194 VanDerWaalsContact O-CA 3.26Å; V183-A194 WeakPolarHBondContact O-CA 3.48Å
195Y89.3Confident82.9Confident94 Ų9477.2 Ų77.237%0.36940%0.404SS..EExtended strand (participates in β ladder)trans-135.7160.5176.165.1-91.7000110.5V183 H185 R197V183-Y195 HydrophobicContact CB-CD1 4.25Å; V183-Y195 HydrophobicContact CB-CD2 4.19Å; V183-Y195 HydrophobicContact CB-CE1 3.81Å; V183-Y195 HydrophobicContact CB-CE2 3.73Å; V183-Y195 HydrophobicContact CB-CG 4.43Å; V183-Y195 HydrophobicContact CG1-CE1 3.69Å; V183-Y195 HydrophobicContact CG1-CE2 4.21Å; V183-Y195 WeakPolarHBondContact CG1-OH 3.47Å; V183-Y195 HydrophobicContact CG2-CE2 3.9Å; V183-Y195 PolarHBondContact N-O 3.33Å; V183-Y195 PolarHBondContact O-N 2.99Å; H185-Y195 HydrophobicContact CB-CD1 4.31Å; H185-Y195 HydrophobicContact CB-CE1 4.22Å; Y195-R197 HydrophobicContact CE2-CB 4.37Å; Y195-R197 PolarHBondContact OH-NH2 2.86Å
196L89.2Confident83.7Confident48 Ų4871.1 Ų71.125%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-91.3125.7172.6-65.2178.2000110.1L130 P180 E181 I182 L198L130-L196 HydrophobicContact CD1-CD2 4.34Å; L130-L196 HydrophobicContact CD1-CG 3.9Å; L130-L196 HydrophobicContact CD2-CD2 3.82Å; L130-L196 HydrophobicContact CD2-CG 4.26Å; L130-L196 HydrophobicContact CG-CD1 4.49Å; L130-L196 HydrophobicContact CG-CD2 3.71Å; L130-L196 HydrophobicContact CG-CG 3.81Å; P180-L196 HydrophobicContact CB-CB 4.28Å; P180-L196 HydrophobicContact CB-CD1 4.23Å; P180-L196 HydrophobicContact CB-CD2 3.81Å; P180-L196 HydrophobicContact CB-CG 4.32Å; E181-L196 WeakPolarHBondContact O-CA 3.28Å; I182-L196 HydrophobicContact CG1-CD2 3.75Å; L196-L198 HydrophobicContact CB-CD2 4.05Å
197R88.3Confident84.4Confident59 Ų5971.9 Ų71.922%0.22338%0.379CS..EExtended strand (participates in β ladder)trans-94.2108.7163.3-175.1-176.6-61.1139-2.3108.3E181 V183 Y195 R199E181-R197 HydrophobicContact CB-CB 4.21Å; E181-R197 PolarHBondContact N-O 2.64Å; E181-R197 PolarHBondContact O-N 3.23Å; E181-R197 IonicContact OE1-NH1 3.2Å; E181-R197 PolarHBondContact OE1-NH1 3.26Å; E181-R197 IonicContact OE2-CZ 3.37Å; E181-R197 IonicContact OE2-NH1 3.61Å; E181-R197 PolarHBondContact OE2-NH1 3.39Å; V183-R197 HydrophobicContact CG2-CB 4Å; Y195-R197 HydrophobicContact CE2-CB 4.37Å; Y195-R197 PolarHBondContact OH-NH2 2.86Å; R197-R199 HydrophobicContact CG-CG 4.4Å
198L88Confident85.2Confident23 Ų2370.7 Ų70.712%0.1238%0.38CS..  trans-84.4127.1175.6-48.7-176000108.9I46 V163 L165 L176 P180 L196 L201I46-L198 HydrophobicContact CD1-CB 4.03Å; I46-L198 HydrophobicContact CD1-CD1 3.31Å; I46-L198 HydrophobicContact CD1-CG 3.87Å; V163-L198 HydrophobicContact CG1-CD1 4.16Å; V163-L198 HydrophobicContact CG2-CD1 4.39Å; L165-L198 HydrophobicContact CD2-CD1 4.28Å; L176-L198 HydrophobicContact CD2-CB 4.38Å; L176-L198 HydrophobicContact CD2-CD1 3.95Å; L176-L198 HydrophobicContact CD2-CD2 4.34Å; L176-L198 HydrophobicContact CD2-CG 4.46Å; P180-L198 HydrophobicContact CB-CD2 3.64Å; P180-L198 HydrophobicContact CG-CD2 3.63Å; L196-L198 HydrophobicContact CB-CD2 4.05Å; L198-L201 HydrophobicContact CB-CD2 4.06Å
199R85Confident85.9Confident98 Ų9874.4 Ų74.437%0.3740%0.4SS..  trans-120.6156.2175.9-71.1179.7163.2167-6.9109.3E42 S178 E181 R197E42-R199 IonicContact OE2-CZ 2.83Å; E42-R199 IonicContact OE2-NH2 2.7Å; E42-R199 PolarHBondContact OE2-NH2 3.48Å; S178-R199 PolarHBondContact OG-O 3.19Å; E181-R199 IonicContact OE2-CZ 3.88Å; E181-R199 IonicContact OE2-NE 3.95Å; E181-R199 IonicContact OE2-NH1 3.16Å; E181-R199 PolarHBondContact OE2-NH1 3.14Å; E181-R199 IonicContact OE2-NH2 3.35Å; R197-R199 HydrophobicContact CG-CG 4.4Å
200N86.2Confident86.9Confident99 Ų9973.2 Ų73.253%0.52939%0.385SS..SBendtrans54.667.4176.7-51.1-50.1000112.5Q177 S178Q177-N200 HydrophobicContact CB-CB 3.99Å; Q177-N200 WeakPolarHBondContact CB-O 3.37Å; Q177-N200 WeakPolarHBondContact CG-O 2.98Å; Q177-N200 PolarHBondContact N-O 3.18Å; S178-N200 PolarHBondContact OG-ND2 3.47Å
201L89.2Confident88.1Confident10 Ų1065.1 Ų65.15%0.05235%0.35CS..EExtended strand (participates in β ladder)trans-89.5143.7175.9-58.4178.7000110.5I46 Y49 I174 L176 L198I46-L201 HydrophobicContact CB-CD1 4.05Å; I46-L201 HydrophobicContact CD1-CD1 4.27Å; I46-L201 HydrophobicContact CG1-CD1 3.73Å; Y49-L201 HydrophobicContact CD2-CB 3.73Å; Y49-L201 HydrophobicContact CD2-CD1 3.94Å; Y49-L201 HydrophobicContact CD2-CG 4.38Å; Y49-L201 HydrophobicContact CE2-CB 4Å; Y49-L201 HydrophobicContact CG-CB 4.07Å; Y49-L201 HydrophobicContact CG-CD1 4.48Å; I174-L201 HydrophobicContact CG2-CB 4.22Å; I174-L201 HydrophobicContact CG2-CD1 4.26Å; I174-L201 HydrophobicContact CG2-CD2 4.11Å; I174-L201 HydrophobicContact CG2-CG 4.44Å; L176-L201 HydrophobicContact CD2-CD2 3.27Å; L198-L201 HydrophobicContact CB-CD2 4.06Å
202L91Very high89.2Confident87 Ų8763.2 Ų63.246%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-125.8138173.4-175.176.5000109.7R175 Q177R175-L202 PolarHBondContact N-O 3.33Å; R175-L202 PolarHBondContact O-N 2.86Å; Q177-L202 HydrophobicContact CG-CB 4Å
203L91.8Very high89.9Confident45 Ų4565 Ų6524%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-87.1121.7167.3-63.7177.6000110.2Y49 Q52 I174Y49-L203 HydrophobicContact CD1-CD1 4.07Å; Y49-L203 HydrophobicContact CD1-CD2 4.28Å; Y49-L203 HydrophobicContact CD1-CG 3.79Å; Y49-L203 WeakPolarHBondContact O-CD2 3.46Å; Q52-L203 HydrophobicContact CB-CD1 3.77Å; I174-L203 HydrophobicContact CG1-CD2 3.88Å
204E92.9Very high90.5Very high56 Ų5664 Ų6426%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-106.9113.8174.2-173-176.2148.800108.6S172 R173 R175 K206S172-E204 CarbonylContact C-O 3.58Å; S172-E204 WeakPolarHBondContact CA-O 3.44Å; S172-E204 WeakPolarHBondContact CB-O 3.33Å; R173-E204 HydrophobicContact CG-CB 3.87Å; R173-E204 HydrophobicContact CG-CG 4.48Å; R173-E204 IonicContact CZ-OE1 3.38Å; R173-E204 PolarHBondContact N-O 3.25Å; R173-E204 VanDerWaalsContact NE-CD 3.31Å; R173-E204 IonicContact NE-OE1 2.78Å; R173-E204 PolarHBondContact NE-OE1 3.24Å; R173-E204 VanDerWaalsContact NE-OE1 3.16Å; R173-E204 IonicContact NE-OE2 2.81Å; R173-E204 IonicContact NH2-OE1 3.77Å; R173-E204 PolarHBondContact NH2-OE1 3.5Å; R173-E204 PolarHBondContact O-N 3.45Å; R175-E204 IonicContact NH1-OE2 2.96Å; R175-E204 PolarHBondContact NH1-OE2 3.19Å; E204-K206 PolarHBondContact O-N 2.89Å
205A93.7Very high90.8Very high76 Ų7664.4 Ų64.463%0.62833%0.329SS*.EExtended strand (participates in β ladder)trans-59.7136.6179.300000111
206K93.9Very high91.1Very high20 Ų2066.1 Ų66.19%0.08734%0.34CS..PPolyproline II helixtrans-93.2151.4179.2-67.8169.4581790111D166 C167 F170 N171 R173 E204 V211D166-K206 WeakPolarHBondContact OD1-CD 3.47Å; D166-K206 IonicContact OD1-NZ 2.65Å; D166-K206 PolarHBondContact OD1-NZ 2.72Å; D166-K206 IonicContact OD2-NZ 2.88Å; C167-K206 PolarHBondContact O-NZ 3.16Å; F170-K206 WeakPolarHBondContact O-CD 3.19Å; F170-K206 PolarHBondContact O-NZ 2.83Å; N171-K206 WeakPolarHBondContact O-CB 3.32Å; N171-K206 PolarHBondContact O-N 3.43Å; R173-K206 HydrophobicContact CB-CD 4.25Å; R173-K206 HydrophobicContact CB-CG 4.43Å; R173-K206 HydrophobicContact CG-CG 4.41Å; E204-K206 PolarHBondContact O-N 2.89Å; K206-V211 HydrophobicContact CB-CG2 4.33Å
207P93.3Very high91.3Very high57 Ų5766.9 Ų66.937%0.3734%0.343SS..PPolyproline II helixtrans-54140.4163.7-22.734.1000111D209 E210P207-D209 WeakPolarHBondContact CB-OD1 3.25Å; P207-D209 PolarHBondContact O-N 3.36Å; P207-E210 HydrophobicContact CB-CG 4.32Å; P207-E210 HydrophobicContact CG-CG 4.38Å; P207-E210 WeakPolarHBondContact O-CB 3.43Å; P207-E210 PolarHBondContact O-N 3.01Å
208L89.2Confident91.5Very high151 Ų15164.1 Ų64.179%0.79133%0.332SS*.G310 helixtrans-62.7-25.9-176-69.5174.4000113.1E210 V211L208-E210 VanDerWaalsContact C-N 3.31Å; L208-V211 PolarHBondContact O-N 3.1Å
209D90.3Very high91.8Very high137 Ų13765.6 Ų65.673%0.73334%0.34SS*.G310 helixtrans-73.3-19.2176.458-54.8000113.6P207 V211P207-D209 WeakPolarHBondContact CB-OD1 3.25Å; P207-D209 PolarHBondContact O-N 3.36Å; D209-V211 VanDerWaalsContact C-N 3.33Å
210E90.7Very high92Very high85 Ų8564.7 Ų64.740%0.39735%0.349SS..G310 helixtrans-82.5-12171.8-67-177.8-169.700112.9R173 P207 L208R173-E210 IonicContact NH1-OE2 2.89Å; R173-E210 PolarHBondContact NH1-OE2 3.08Å; P207-E210 HydrophobicContact CB-CG 4.32Å; P207-E210 HydrophobicContact CG-CG 4.38Å; P207-E210 WeakPolarHBondContact O-CB 3.43Å; P207-E210 PolarHBondContact O-N 3.01Å; L208-E210 VanDerWaalsContact C-N 3.31Å
211V93.5Very high92.2Very high8 Ų862.3 Ų62.35%0.04834%0.336CS..  trans-95.4114-176.3-171.80000110.5P168 F170 K206 L208 D209 R213 Q217P168-V211 CarbonylContact O-C 3.51Å; P168-V211 WeakPolarHBondContact O-CA 3.4Å; F170-V211 WeakPolarHBondContact O-CG2 3.49Å; K206-V211 HydrophobicContact CB-CG2 4.33Å; L208-V211 PolarHBondContact O-N 3.1Å; D209-V211 VanDerWaalsContact C-N 3.33Å; V211-R213 HydrophobicContact CG1-CG 4.38Å; V211-Q217 PolarHBondContact O-NE2 3.29Å
212C94Very high91.9Very high7 Ų768.6 Ų68.65%0.04736%0.363CS..  trans-91.2128.4177.5-64.20000110.8P168 Q217 F218P168-C212 HydrophobicContact CB-CB 3.88Å; P168-C212 PolarHBondContact O-N 2.99Å; C212-Q217 HydrophobicContact CB-CB 4.02Å; C212-F218 HydrophobicContact CB-CD1 4.11Å; C212-F218 HydrophobicContact CB-CD2 4.01Å; C212-F218 HydrophobicContact CB-CE1 3.66Å; C212-F218 HydrophobicContact CB-CE2 3.52Å; C212-F218 HydrophobicContact CB-CG 4.23Å; C212-F218 HydrophobicContact CB-CZ 3.28Å
213R90.8Very high90.9Very high107 Ų10765.7 Ų65.740%0.40435%0.354SS..  trans-127.4-15.5-179.8-64.2-66.3-174.1159.4-10.1113.4V54 N171 V211V54-R213 PolarHBondContact O-NH2 3.45Å; N171-R213 VanDerWaalsContact CG-NH2 3.27Å; N171-R213 PolarHBondContact ND2-NH2 3.11Å; N171-R213 VanDerWaalsContact ND2-NH2 3.19Å; N171-R213 PolarHBondContact OD1-NH2 3.4Å; V211-R213 HydrophobicContact CG1-CG 4.38Å
214T93.1Very high89.5Confident54 Ų5473 Ų7333%0.33138%0.384SS..SBendtrans-121.8151.9-172.559.60000111.2E216 Q217 F218T214-E216 WeakPolarHBondContact CB-OE2 3.07Å; T214-E216 PolarHBondContact O-N 2.92Å; T214-Q217 VanDerWaalsContact N-OE1 3.08Å; T214-Q217 PolarHBondContact O-N 2.7Å; T214-Q217 VanDerWaalsContact OG1-CG 3.23Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.39Å; T214-Q217 PolarHBondContact OG1-N 3.21Å; T214-Q217 PolarHBondContact OG1-OE1 3.19Å; T214-F218 VanDerWaalsContact O-CD2 3.26Å; T214-F218 WeakPolarHBondContact O-CD2 3.38Å; T214-F218 PolarHBondContact O-N 3.49Å
215P94.3Very high87.6Confident32 Ų3273.8 Ų73.821%0.20839%0.388CS..Hα-helixtrans-51.5-41.8175.1-2025.6000112.5I21 Q217 F218 L219I21-P215 WeakPolarHBondContact O-CG 3Å; P215-Q217 VanDerWaalsContact C-N 3.35Å; P215-Q217 PolarHBondContact O-N 3.25Å; P215-F218 PolarHBondContact O-N 2.73Å; P215-L219 WeakPolarHBondContact O-CB 3.45Å; P215-L219 VanDerWaalsContact O-CG 3.26Å; P215-L219 WeakPolarHBondContact O-CG 3.46Å; P215-L219 PolarHBondContact O-N 2.84Å
216E93.9Very high85.7Confident130 Ų13076.7 Ų76.761%0.60739%0.391SS*.Hα-helixtrans-62.6-41.7-177.2-63.271.7-155.200111.6T214 L219 S220T214-E216 WeakPolarHBondContact CB-OE2 3.07Å; T214-E216 PolarHBondContact O-N 2.92Å; E216-L219 PolarHBondContact O-N 3.03Å; E216-S220 WeakPolarHBondContact O-CB 3.47Å; E216-S220 PolarHBondContact O-N 3.22Å; E216-S220 PolarHBondContact O-OG 2.95Å
217Q94Very high83.7Confident64 Ų6478.7 Ų78.730%0.29940%0.403SS..Hα-helixtrans-62.5-47.4175.8-73.6171.1-51.600111.1V211 C212 T214 P215 L219 S220 L221V211-Q217 PolarHBondContact O-NE2 3.29Å; C212-Q217 HydrophobicContact CB-CB 4.02Å; T214-Q217 VanDerWaalsContact N-OE1 3.08Å; T214-Q217 PolarHBondContact O-N 2.7Å; T214-Q217 VanDerWaalsContact OG1-CG 3.23Å; T214-Q217 WeakPolarHBondContact OG1-CG 3.39Å; T214-Q217 PolarHBondContact OG1-N 3.21Å; T214-Q217 PolarHBondContact OG1-OE1 3.19Å; P215-Q217 VanDerWaalsContact C-N 3.35Å; P215-Q217 PolarHBondContact O-N 3.25Å; Q217-L219 PolarHBondContact O-N 2.94Å; Q217-S220 PolarHBondContact O-N 2.91Å; Q217-S220 PolarHBondContact O-OG 3.03Å; Q217-L221 PolarHBondContact O-N 3.27Å
218F93.6Very high81.8Confident0 Ų082.2 Ų82.20%042%0.423CS..Hα-helixtrans-62.4-44.3177.8-78.3-73.3000112.9M18 I21 V22 P168 I169 C212 T214 P215 S220 L221 F239M18-F218 HydrophobicContact CB-CD1 4.32Å; M18-F218 HydrophobicContact CB-CE1 3.95Å; M18-F218 HydrophobicContact CB-CZ 4.48Å; M18-F218 HydrophobicContact CG-CD1 4.46Å; M18-F218 HydrophobicContact CG-CE1 3.64Å; M18-F218 HydrophobicContact CG-CZ 4.08Å; M18-F218 HydrophobicContact SD-CE1 3.75Å; I21-F218 HydrophobicContact CB-CD2 4.29Å; I21-F218 HydrophobicContact CB-CE2 4.12Å; I21-F218 HydrophobicContact CD1-CE2 4.17Å; I21-F218 HydrophobicContact CG2-CD2 3.74Å; I21-F218 HydrophobicContact CG2-CE2 3.67Å; V22-F218 HydrophobicContact CG2-CB 3.4Å; V22-F218 HydrophobicContact CG2-CD2 4.46Å; V22-F218 HydrophobicContact CG2-CG 3.94Å; P168-F218 HydrophobicContact CB-CE1 3.9Å; P168-F218 HydrophobicContact CB-CZ 4.45Å; I169-F218 HydrophobicContact CG2-CE1 4.16Å; I169-F218 HydrophobicContact CG2-CE2 4.21Å; I169-F218 HydrophobicContact CG2-CZ 3.37Å; C212-F218 HydrophobicContact CB-CD1 4.11Å; C212-F218 HydrophobicContact CB-CD2 4.01Å; C212-F218 HydrophobicContact CB-CE1 3.66Å; C212-F218 HydrophobicContact CB-CE2 3.52Å; C212-F218 HydrophobicContact CB-CG 4.23Å; C212-F218 HydrophobicContact CB-CZ 3.28Å; T214-F218 VanDerWaalsContact O-CD2 3.26Å; T214-F218 WeakPolarHBondContact O-CD2 3.38Å; T214-F218 PolarHBondContact O-N 3.49Å; P215-F218 PolarHBondContact O-N 2.73Å; F218-S220 PolarHBondContact O-N 2.7Å; F218-L221 HydrophobicContact CD1-CD1 3.9Å; F218-L221 HydrophobicContact CE1-CD1 4.47Å; F218-L221 VanDerWaalsContact O-CB 3.28Å; F218-L221 WeakPolarHBondContact O-CB 3.39Å; F218-L221 WeakPolarHBondContact O-CG 3.32Å; F218-L221 PolarHBondContact O-N 3.36Å; F218-L221 VanDerWaalsContact O-N 3.12Å; F218-F239 HydrophobicContact CB-CD2 4.06Å; F218-F239 HydrophobicContact CB-CE2 4.44Å; F218-F239 HydrophobicContact CB-CG 4.5Å; F218-F239 HydrophobicContact CD1-CD2 4.12Å; F218-F239 AromaticContact CD1-CE2 3.64Å; F218-F239 HydrophobicContact CD1-CE2 3.64Å; F218-F239 HydrophobicContact CD1-CZ 4.04Å; F218-F239 HydrophobicContact CE1-CE2 4.47Å; F218-F239 HydrophobicContact CG-CE2 4.5Å; F218-F239 WeakPolarHBondContact O-CD2 3.45Å
219L92.6Very high80.1Confident54 Ų5483.8 Ų83.828%0.28343%0.426SS..Hα-helixtrans-67.9-23179-69.8166.3000112.8V22 P215 E216 Q217 L221 F239 T241V22-L219 HydrophobicContact CG1-CD2 4Å; V22-L219 HydrophobicContact CG1-CG 4.34Å; P215-L219 WeakPolarHBondContact O-CB 3.45Å; P215-L219 VanDerWaalsContact O-CG 3.26Å; P215-L219 WeakPolarHBondContact O-CG 3.46Å; P215-L219 PolarHBondContact O-N 2.84Å; E216-L219 PolarHBondContact O-N 3.03Å; Q217-L219 PolarHBondContact O-N 2.94Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L219-F239 HydrophobicContact CD2-CB 4.34Å; L219-T241 HydrophobicContact CD1-CG2 3.87Å; L219-T241 HydrophobicContact CD2-CG2 3.82Å; L219-T241 HydrophobicContact CG-CG2 4.48Å
220S91.1Very high78Confident80 Ų8082 Ų8256%0.55942%0.416SS*.Hα-helixtrans-79.6-13.3174.377.90000113.7E216 Q217 F218 K222E216-S220 WeakPolarHBondContact O-CB 3.47Å; E216-S220 PolarHBondContact O-N 3.22Å; E216-S220 PolarHBondContact O-OG 2.95Å; Q217-S220 PolarHBondContact O-N 2.91Å; Q217-S220 PolarHBondContact O-OG 3.03Å; F218-S220 PolarHBondContact O-N 2.7Å; S220-K222 WeakPolarHBondContact O-CG 3.23Å; S220-K222 PolarHBondContact O-N 3.19Å
221L89.6Confident76.1Confident49 Ų4985.4 Ų85.426%0.25744%0.444SS..  trans-64.4132.9179.5-66.6174.3000110.3P168 Q217 F218 L219 S237 P238 F239P168-L221 HydrophobicContact CB-CD1 4.19Å; P168-L221 HydrophobicContact CG-CD1 3.87Å; Q217-L221 PolarHBondContact O-N 3.27Å; F218-L221 HydrophobicContact CD1-CD1 3.9Å; F218-L221 HydrophobicContact CE1-CD1 4.47Å; F218-L221 VanDerWaalsContact O-CB 3.28Å; F218-L221 WeakPolarHBondContact O-CB 3.39Å; F218-L221 WeakPolarHBondContact O-CG 3.32Å; F218-L221 PolarHBondContact O-N 3.36Å; F218-L221 VanDerWaalsContact O-N 3.12Å; L219-L221 VanDerWaalsContact C-N 3.32Å; L221-S237 PolarHBondContact O-OG 2.86Å; L221-P238 HydrophobicContact CB-CG 4.17Å; L221-P238 WeakPolarHBondContact O-CD 3.44Å; L221-F239 HydrophobicContact CD1-CD2 4.33Å; L221-F239 HydrophobicContact CD1-CE2 3.96Å
222K82.2Confident73.9Confident141 Ų14187.4 Ų87.461%0.61346%0.458SS*.  trans-117.5119178.8-59.1-157.6-177.6-177.80109.8S220 E235S220-K222 WeakPolarHBondContact O-CG 3.23Å; S220-K222 PolarHBondContact O-N 3.19Å; K222-E235 HydrophobicContact CB-CG 3.88Å; K222-E235 HydrophobicContact CD-CG 3.83Å; K222-E235 WeakPolarHBondContact CD-OE1 3.23Å; K222-E235 VanDerWaalsContact CD-OE2 3.27Å; K222-E235 WeakPolarHBondContact CD-OE2 2.88Å; K222-E235 HydrophobicContact CG-CG 4.42Å; K222-E235 IonicContact NZ-OE1 2.73Å; K222-E235 IonicContact NZ-OE2 3.04Å; K222-E235 PolarHBondContact NZ-OE2 3.02Å
223G70.1Confident71.9Confident27 Ų2792.5 Ų92.528%0.27849%0.489SS..EExtended strand (participates in β ladder)trans-81.5132.2175.200000111.2H225 R236G223-H225 PolarHBondContact O-N 3.43Å; G223-R236 VanDerWaalsContact CA-O 3.3Å; G223-R236 WeakPolarHBondContact CA-O 3.49Å; G223-R236 PolarHBondContact N-O 2.52Å; G223-R236 PolarHBondContact O-N 3.46Å
224K61.9Low70.2Confident197 Ų19793 Ų9386%0.85750%0.495SS*.EExtended strand (participates in β ladder)trans-84.2101.5163.4-69.1-178.7-178.2176.10108.2
225H54.4Low68.8Low74 Ų7496.5 Ų96.534%0.34351%0.508SS..  trans-85.3116.6171-164.2-81.4000109.3G223 N227G223-H225 PolarHBondContact O-N 3.43Å; H225-N227 PolarHBondContact CE1-OD1 2.95Å; H225-N227 PolarHBondContact ND1-OD1 3.21Å; H225-N227 VanDerWaalsContact ND1-OD1 3.1Å; H225-N227 PolarHBondContact O-N 3.42Å
226I53.2Low67.7Low137 Ų137104.2 Ų104.270%0.70353%0.533SS*.  trans-86.599.8168.7-56.3173.3000106.2V228I226-V228 PolarHBondContact O-N 3.1Å
227N51.6Low67.1Low62 Ų62100.2 Ų100.233%0.33252%0.519SS..  trans-73.6112.4164.4-92.6-20.3000107.6H225 E229 N230H225-N227 PolarHBondContact CE1-OD1 2.95Å; H225-N227 PolarHBondContact ND1-OD1 3.21Å; H225-N227 VanDerWaalsContact ND1-OD1 3.1Å; H225-N227 PolarHBondContact O-N 3.42Å; N227-E229 PolarHBondContact O-N 3Å; N227-N230 HydrophobicContact CB-CB 4.16Å; N227-N230 WeakPolarHBondContact CB-O 3.38Å; N227-N230 PolarHBondContact O-N 3.36Å
228V53.1Low66.7Low130 Ų130100.1 Ų100.179%0.78852%0.524SS*.SBendtrans-60.6-28.2175.5-179.60000111.1I226I226-V228 PolarHBondContact O-N 3.1Å
229E53.4Low66.6Low184 Ų184100.5 Ų100.586%0.8653%0.526SS*.SBendtrans-90.7-21.1-177.6-65.4-175.616700114.5N227N227-E229 PolarHBondContact O-N 3Å
230N48.1Very low66.3Low99 Ų99100.7 Ų100.753%0.52953%0.526SS..  trans-134.3119.5-177-74.6-34000109.5N227 S232N227-N230 HydrophobicContact CB-CB 4.16Å; N227-N230 WeakPolarHBondContact CB-O 3.38Å; N227-N230 PolarHBondContact O-N 3.36Å; N230-S232 PolarHBondContact O-N 2.77Å
231T49.4Very low66.1Low158 Ų15898.8 Ų98.897%0.96951%0.512SS*.SBendtrans-612.9175.745.30000114.4T233T231-T233 PolarHBondContact O-N 3.35Å
232S48.8Very low65.8Low49 Ų4998.8 Ų98.834%0.34351%0.514SS..  trans-82.7107.617160.70000111.2N230 H234N230-S232 PolarHBondContact O-N 2.77Å; S232-H234 PolarHBondContact O-N 2.85Å; S232-H234 PolarHBondContact OG-CD2 2.81Å; S232-H234 PolarHBondContact OG-NE2 2.79Å
233T51.5Low65.8Low114 Ų11499.3 Ų99.370%0.69952%0.517SS*.  trans-70.694.716550.20000108.7T231 E235T231-T233 PolarHBondContact O-N 3.35Å; T233-E235 PolarHBondContact O-N 2.85Å
234H55.1Low66.5Low118 Ų118102.7 Ų102.755%0.54653%0.526SS..  trans-80117.8167.2-70.6-72.7000108.7S232 R236S232-H234 PolarHBondContact O-N 2.85Å; S232-H234 PolarHBondContact OG-CD2 2.81Å; S232-H234 PolarHBondContact OG-NE2 2.79Å; H234-R236 PolarHBondContact O-N 2.95Å
235E64.3Low67.4Low127 Ų12795.9 Ų95.959%0.59350%0.495SS*.EExtended strand (participates in β ladder)trans-71.6109173.8-158.5171.6-138.700107.6K222 T233K222-E235 HydrophobicContact CB-CG 3.88Å; K222-E235 HydrophobicContact CD-CG 3.83Å; K222-E235 WeakPolarHBondContact CD-OE1 3.23Å; K222-E235 VanDerWaalsContact CD-OE2 3.27Å; K222-E235 WeakPolarHBondContact CD-OE2 2.88Å; K222-E235 HydrophobicContact CG-CG 4.42Å; K222-E235 IonicContact NZ-OE1 2.73Å; K222-E235 IonicContact NZ-OE2 3.04Å; K222-E235 PolarHBondContact NZ-OE2 3.02Å; T233-E235 PolarHBondContact O-N 2.85Å
236R70.5Confident68.4Low195 Ų19595.4 Ų95.474%0.73649%0.494SS*.EExtended strand (participates in β ladder)trans-114.4125.1180-168.6175.4178.4169.1-0.9108.5G223 H234G223-R236 VanDerWaalsContact CA-O 3.3Å; G223-R236 WeakPolarHBondContact CA-O 3.49Å; G223-R236 PolarHBondContact N-O 2.52Å; G223-R236 PolarHBondContact O-N 3.46Å; H234-R236 PolarHBondContact O-N 2.95Å
237S81.5Confident69.6Low46 Ų4697 Ų9732%0.32250%0.496SS..  trans-67.4130.6169.8-178.30000109.1L221 F239L221-S237 PolarHBondContact O-OG 2.86Å; S237-F239 WeakPolarHBondContact CB-O 3.44Å; S237-F239 PolarHBondContact O-N 3.09Å; S237-F239 PolarHBondContact OG-N 3.16Å; S237-F239 PolarHBondContact OG-O 3.19Å
238P85.7Confident70.6Confident62 Ų6295.3 Ų95.340%0.40349%0.489SS..SBendtrans-67-28.2173.725.4-28.9000111.7L221L221-P238 HydrophobicContact CB-CG 4.17Å; L221-P238 WeakPolarHBondContact O-CD 3.44Å
239F90Very high71.5Confident8 Ų890 Ų904%0.03546%0.456CS..  trans-112.8147.1-178.7-56.1-73.4000111.1Y15 M18 E19 V22 F218 L219 L221 S237Y15-F239 HydrophobicContact CD2-CE1 4.34Å; Y15-F239 HydrophobicContact CE2-CD1 4.48Å; Y15-F239 AromaticContact CE2-CE1 3.65Å; Y15-F239 HydrophobicContact CE2-CE1 3.65Å; Y15-F239 HydrophobicContact CE2-CZ 4.1Å; Y15-F239 AromaticContact CZ-CE1 3.98Å; M18-F239 HydrophobicContact CB-CE1 3.85Å; M18-F239 HydrophobicContact CB-CZ 3.72Å; M18-F239 HydrophobicContact CE-CZ 4.31Å; M18-F239 HydrophobicContact CG-CZ 4.45Å; M18-F239 HydrophobicContact SD-CZ 4.04Å; E19-F239 HydrophobicContact CG-CE1 4.45Å; V22-F239 HydrophobicContact CG1-CB 4.38Å; V22-F239 HydrophobicContact CG2-CB 3.95Å; V22-F239 HydrophobicContact CG2-CD1 3.81Å; V22-F239 HydrophobicContact CG2-CD2 4.46Å; V22-F239 HydrophobicContact CG2-CE1 4.47Å; V22-F239 HydrophobicContact CG2-CG 3.8Å; F218-F239 HydrophobicContact CB-CD2 4.06Å; F218-F239 HydrophobicContact CB-CE2 4.44Å; F218-F239 HydrophobicContact CB-CG 4.5Å; F218-F239 HydrophobicContact CD1-CD2 4.12Å; F218-F239 AromaticContact CD1-CE2 3.64Å; F218-F239 HydrophobicContact CD1-CE2 3.64Å; F218-F239 HydrophobicContact CD1-CZ 4.04Å; F218-F239 HydrophobicContact CE1-CE2 4.47Å; F218-F239 HydrophobicContact CG-CE2 4.5Å; F218-F239 WeakPolarHBondContact O-CD2 3.45Å; L219-F239 HydrophobicContact CD2-CB 4.34Å; L221-F239 HydrophobicContact CD1-CD2 4.33Å; L221-F239 HydrophobicContact CD1-CE2 3.96Å; S237-F239 WeakPolarHBondContact CB-O 3.44Å; S237-F239 PolarHBondContact O-N 3.09Å; S237-F239 PolarHBondContact OG-N 3.16Å; S237-F239 PolarHBondContact OG-O 3.19Å
240I87.6Confident72.1Confident57 Ų5784 Ų8429%0.29243%0.434SS..  trans-122.3153.9171.659.6172.5000108.6E244 R245I240-E244 HydrophobicContact CB-CB 4.24Å; I240-R245 HydrophobicContact CD1-CB 3.95Å; I240-R245 HydrophobicContact CD1-CG 4.42Å; I240-R245 HydrophobicContact CG1-CB 4.45Å
241T87.2Confident73.1Confident40 Ų4083.5 Ų83.525%0.24543%0.431CS..  trans-64.7153.5177.761.80000111L219 F243 E244 R245L219-T241 HydrophobicContact CD1-CG2 3.87Å; L219-T241 HydrophobicContact CD2-CG2 3.82Å; L219-T241 HydrophobicContact CG-CG2 4.48Å; T241-F243 PolarHBondContact O-N 2.89Å; T241-E244 PolarHBondContact N-OE2 2.88Å; T241-E244 PolarHBondContact O-N 3.09Å; T241-E244 VanDerWaalsContact O-N 3.1Å; T241-E244 WeakPolarHBondContact OG1-CB 3.26Å; T241-E244 VanDerWaalsContact OG1-CD 3.28Å; T241-E244 WeakPolarHBondContact OG1-CG 3.49Å; T241-E244 PolarHBondContact OG1-N 2.97Å; T241-E244 PolarHBondContact OG1-OE2 2.87Å; T241-R245 PolarHBondContact O-N 3.3Å
242P82.6Confident74.2Confident49 Ų4979.9 Ų79.932%0.31840%0.402SS..Hα-helixtrans-54.1-38.4172.2-23.131.3000111.7H23 R245 L246H23-P242 WeakPolarHBondContact ND1-CG 3.25Å; P242-R245 WeakPolarHBondContact O-CB 3.4Å; P242-R245 PolarHBondContact O-N 2.93Å; P242-L246 VanDerWaalsContact O-CG 3.31Å; P242-L246 WeakPolarHBondContact O-CG 3.27Å; P242-L246 PolarHBondContact O-N 3.15Å
243F82.8Confident75.1Confident153 Ų15378.1 Ų78.167%0.67139%0.389SS*.Hα-helixtrans-64.5-43.2177.1-174-97.8000113T241 R245 L246 K247T241-F243 PolarHBondContact O-N 2.89Å; F243-R245 VanDerWaalsContact C-N 3.29Å; F243-R245 PolarHBondContact O-N 2.79Å; F243-L246 PolarHBondContact O-N 2.88Å; F243-K247 WeakPolarHBondContact O-CB 3.41Å; F243-K247 PolarHBondContact O-N 3.09Å
244E83.8Confident75.9Confident97 Ų9773.2 Ų73.245%0.45336%0.359SS..Hα-helixtrans-65-33.9174.7-75.3165.4144.800112.5I240 T241I240-E244 HydrophobicContact CB-CB 4.24Å; T241-E244 PolarHBondContact N-OE2 2.88Å; T241-E244 PolarHBondContact O-N 3.09Å; T241-E244 VanDerWaalsContact O-N 3.1Å; T241-E244 WeakPolarHBondContact OG1-CB 3.26Å; T241-E244 VanDerWaalsContact OG1-CD 3.28Å; T241-E244 WeakPolarHBondContact OG1-CG 3.49Å; T241-E244 PolarHBondContact OG1-N 2.97Å; T241-E244 PolarHBondContact OG1-OE2 2.87Å
245R80.5Confident76.7Confident55 Ų5573.8 Ų73.821%0.20836%0.362CS..Hα-helixtrans-64.8-43.6173-168.1167.5-69.2174.93.6110.7E19 H23 I240 T241 P242 F243E19-R245 VanDerWaalsContact CD-NH2 3.33Å; E19-R245 IonicContact OE1-NH2 3.47Å; E19-R245 PolarHBondContact OE1-NH2 3.24Å; E19-R245 VanDerWaalsContact OE1-NH2 3.16Å; E19-R245 IonicContact OE2-CZ 2.92Å; E19-R245 IonicContact OE2-NH1 2.72Å; E19-R245 PolarHBondContact OE2-NH1 3.19Å; E19-R245 IonicContact OE2-NH2 3.66Å; E19-R245 PolarHBondContact OE2-NH2 3.41Å; H23-R245 PolarHBondContact NE2-NH1 3.13Å; I240-R245 HydrophobicContact CD1-CB 3.95Å; I240-R245 HydrophobicContact CD1-CG 4.42Å; I240-R245 HydrophobicContact CG1-CB 4.45Å; T241-R245 PolarHBondContact O-N 3.3Å; P242-R245 WeakPolarHBondContact O-CB 3.4Å; P242-R245 PolarHBondContact O-N 2.93Å; F243-R245 VanDerWaalsContact C-N 3.29Å; F243-R245 PolarHBondContact O-N 2.79Å
246L76.9Confident76.8Confident63 Ų6371.6 Ų71.633%0.3335%0.352SS..Hα-helixtrans-70-34.3178.3-70174000113.8P242 F243 S248 I249 I396P242-L246 VanDerWaalsContact O-CG 3.31Å; P242-L246 WeakPolarHBondContact O-CG 3.27Å; P242-L246 PolarHBondContact O-N 3.15Å; F243-L246 PolarHBondContact O-N 2.88Å; L246-S248 PolarHBondContact O-N 2.89Å; L246-I249 HydrophobicContact CD2-CD1 4.22Å; L246-I249 VanDerWaalsContact O-CG2 3.29Å; L246-I249 WeakPolarHBondContact O-CG2 3.2Å; L246-I249 PolarHBondContact O-N 3.42Å; L246-I396 HydrophobicContact CD2-CD1 3.98Å; L246-I396 HydrophobicContact CD2-CG1 4.4Å; L246-I396 HydrophobicContact CD2-CG2 4.41Å
247K78.3Confident76.7Confident172 Ų17262.6 Ų62.675%0.74832%0.318SS*.Hα-helixtrans-53.2-33.1-173.5-174.7176.3-179.9-179.70113.9F243F243-K247 WeakPolarHBondContact O-CB 3.41Å; F243-K247 PolarHBondContact O-N 3.09Å
248S71Confident76.1Confident26 Ų2664.3 Ų64.318%0.18232%0.32CS..THydrogen-bonded Turntrans-125.921-17965.50000111.8L246 S250 L251 K252L246-S248 PolarHBondContact O-N 2.89Å; S248-S250 VanDerWaalsContact C-N 3.33Å; S248-S250 PolarHBondContact O-N 3.01Å; S248-L251 PolarHBondContact O-N 3.22Å; S248-L251 VanDerWaalsContact O-N 3.1Å; S248-K252 WeakPolarHBondContact O-CB 3.06Å; S248-K252 PolarHBondContact O-N 3.42Å; S248-K252 WeakPolarHBondContact OG-CD 3.2Å; S248-K252 WeakPolarHBondContact OG-CE 3.39Å; S248-K252 WeakPolarHBondContact OG-CG 3.45Å; S248-K252 PolarHBondContact OG-NZ 2.92Å
249I72.3Confident75.3Confident19 Ų1962.7 Ų62.710%0.09731%0.314CS..Hα-helixtrans-57.8-47.5-173.5-169.2175.2000111.3L246 L251 K252 T253 V394 I396 I436L246-I249 HydrophobicContact CD2-CD1 4.22Å; L246-I249 VanDerWaalsContact O-CG2 3.29Å; L246-I249 WeakPolarHBondContact O-CG2 3.2Å; L246-I249 PolarHBondContact O-N 3.42Å; I249-L251 PolarHBondContact O-N 3.5Å; I249-K252 PolarHBondContact O-N 2.73Å; I249-T253 WeakPolarHBondContact O-CB 3.36Å; I249-T253 PolarHBondContact O-N 3.24Å; I249-T253 PolarHBondContact O-OG1 2.95Å; I249-V394 HydrophobicContact CD1-CG1 3.97Å; I249-I396 HydrophobicContact CD1-CD1 4.19Å; I249-I436 HydrophobicContact CD1-CD1 3.33Å; I249-I436 HydrophobicContact CG1-CD1 4.24Å
250S66Low74.1Confident56 Ų5664.8 Ų64.839%0.39233%0.326SS..Hα-helixtrans-60.5-34.4179.1610000112.5S248 C254S248-S250 VanDerWaalsContact C-N 3.33Å; S248-S250 PolarHBondContact O-N 3.01Å; S250-C254 WeakPolarHBondContact O-CB 3.48Å; S250-C254 PolarHBondContact O-N 2.89Å; S250-C254 PolarHBondContact O-SG 3.42Å
251L70.4Confident73Confident89 Ų8962.5 Ų62.547%0.46631%0.314SS..Hα-helixtrans-77.8-52.5177.5-71.7168.3000111.5S248 I249 T253 C254 E255S248-L251 PolarHBondContact O-N 3.22Å; S248-L251 VanDerWaalsContact O-N 3.1Å; I249-L251 PolarHBondContact O-N 3.5Å; L251-T253 PolarHBondContact O-N 3.15Å; L251-C254 WeakPolarHBondContact O-CB 3.02Å; L251-C254 PolarHBondContact O-N 3.49Å; L251-C254 VanDerWaalsContact O-N 3.14Å; L251-E255 WeakPolarHBondContact O-CG 3.3Å; L251-E255 PolarHBondContact O-N 3.45Å
252K71Confident72.1Confident83 Ų8363.8 Ų63.836%0.36132%0.318SS..Hα-helixtrans-60.9-46.6-177.5-76.3-177.8177.11610111.9S248 I249 C254 E255 E256S248-K252 WeakPolarHBondContact O-CB 3.06Å; S248-K252 PolarHBondContact O-N 3.42Å; S248-K252 WeakPolarHBondContact OG-CD 3.2Å; S248-K252 WeakPolarHBondContact OG-CE 3.39Å; S248-K252 WeakPolarHBondContact OG-CG 3.45Å; S248-K252 PolarHBondContact OG-NZ 2.92Å; I249-K252 PolarHBondContact O-N 2.73Å; K252-C254 VanDerWaalsContact C-N 3.28Å; K252-C254 PolarHBondContact O-N 2.88Å; K252-E255 WeakPolarHBondContact O-CB 3.37Å; K252-E255 PolarHBondContact O-N 2.65Å; K252-E255 VanDerWaalsContact O-N 3.1Å; K252-E256 WeakPolarHBondContact O-CB 3.47Å; K252-E256 VanDerWaalsContact O-CG 3.32Å; K252-E256 WeakPolarHBondContact O-CG 3.28Å; K252-E256 PolarHBondContact O-N 2.97Å
253T68.1Low71.2Confident11 Ų1165.2 Ų65.27%0.06732%0.324CS..Hα-helixtrans-60.9-39.4176.5-61.50000111.2I249 L251 I257 Q342 I344I249-T253 WeakPolarHBondContact O-CB 3.36Å; I249-T253 PolarHBondContact O-N 3.24Å; I249-T253 PolarHBondContact O-OG1 2.95Å; L251-T253 PolarHBondContact O-N 3.15Å; T253-I257 HydrophobicContact CG2-CD1 4.2Å; T253-I257 VanDerWaalsContact O-CG1 3.25Å; T253-I257 WeakPolarHBondContact O-CG1 3.48Å; T253-I257 PolarHBondContact O-N 2.9Å; T253-I257 VanDerWaalsContact O-N 3.08Å; T253-Q342 VanDerWaalsContact CG2-CD 3.42Å; T253-Q342 VanDerWaalsContact CG2-NE2 3.3Å; T253-I344 HydrophobicContact CG2-CD1 4.46Å
254C68.7Low70.3Confident12 Ų1259.3 Ų59.38%0.08130%0.303CS..Hα-helixtrans-67.7-37.8174.5-69.70000112.6S250 L251 K252 K258 L295S250-C254 WeakPolarHBondContact O-CB 3.48Å; S250-C254 PolarHBondContact O-N 2.89Å; S250-C254 PolarHBondContact O-SG 3.42Å; L251-C254 WeakPolarHBondContact O-CB 3.02Å; L251-C254 PolarHBondContact O-N 3.49Å; L251-C254 VanDerWaalsContact O-N 3.14Å; K252-C254 VanDerWaalsContact C-N 3.28Å; K252-C254 PolarHBondContact O-N 2.88Å; C254-K258 WeakPolarHBondContact O-CB 3.36Å; C254-K258 PolarHBondContact O-N 2.81Å; C254-L295 HydrophobicContact CB-CD1 3.71Å; C254-L295 HydrophobicContact CB-CD2 3.89Å; C254-L295 HydrophobicContact CB-CG 4.4Å; C254-L295 WeakPolarHBondContact SG-CD1 3.48Å
255E70.7Confident69.4Low129 Ų12957.6 Ų57.660%0.60330%0.296SS*.Hα-helixtrans-66.4-40.9176.4-74174.216900111.9L251 K252 K258 G259L251-E255 WeakPolarHBondContact O-CG 3.3Å; L251-E255 PolarHBondContact O-N 3.45Å; K252-E255 WeakPolarHBondContact O-CB 3.37Å; K252-E255 PolarHBondContact O-N 2.65Å; K252-E255 VanDerWaalsContact O-N 3.1Å; E255-K258 PolarHBondContact O-N 3.34Å; E255-G259 PolarHBondContact O-N 3.01Å
256E67.7Low68.6Low82 Ų8258.8 Ų58.838%0.38331%0.306SS..Hα-helixtrans-61-55.8175.4-74.9164.6-172.900110.8K252 K258 G259 D260K252-E256 WeakPolarHBondContact O-CB 3.47Å; K252-E256 VanDerWaalsContact O-CG 3.32Å; K252-E256 WeakPolarHBondContact O-CG 3.28Å; K252-E256 PolarHBondContact O-N 2.97Å; E256-K258 PolarHBondContact O-N 3.48Å; E256-G259 WeakPolarHBondContact O-CA 3.46Å; E256-G259 PolarHBondContact O-N 2.86Å; E256-D260 PolarHBondContact O-N 3.42Å
257I68.3Low67.8Low5 Ų560 Ų603%0.02631%0.306CS..Hα-helixtrans-60-37.5178.8-58.2163.3000110.9T253 D260 F261 M299 V341 Q342 V418 L430T253-I257 HydrophobicContact CG2-CD1 4.2Å; T253-I257 VanDerWaalsContact O-CG1 3.25Å; T253-I257 WeakPolarHBondContact O-CG1 3.48Å; T253-I257 PolarHBondContact O-N 2.9Å; T253-I257 VanDerWaalsContact O-N 3.08Å; I257-D260 PolarHBondContact O-N 3.12Å; I257-F261 WeakPolarHBondContact O-CB 3.1Å; I257-F261 PolarHBondContact O-N 3.38Å; I257-M299 HydrophobicContact CB-CE 3.6Å; I257-M299 HydrophobicContact CB-SD 4.4Å; I257-M299 HydrophobicContact CD1-CE 4.22Å; I257-M299 HydrophobicContact CG2-CE 3.13Å; I257-M299 HydrophobicContact CG2-SD 3.78Å; I257-V341 HydrophobicContact CG2-CG1 4.2Å; I257-Q342 HydrophobicContact CD1-CB 4.33Å; I257-V418 HydrophobicContact CD1-CG1 4.14Å; I257-L430 HydrophobicContact CG2-CD1 4.46Å; I257-L430 HydrophobicContact CG2-CD2 4.17Å
258K69Low66.8Low83 Ų8356.2 Ų56.236%0.36129%0.289SS..Hα-helixtrans-64.2-42.1176-178.8179.8178179.20111.6C254 E255 E256 F261 I262 M299C254-K258 WeakPolarHBondContact O-CB 3.36Å; C254-K258 PolarHBondContact O-N 2.81Å; E255-K258 PolarHBondContact O-N 3.34Å; E256-K258 PolarHBondContact O-N 3.48Å; K258-F261 PolarHBondContact O-N 3.19Å; K258-I262 HydrophobicContact CG-CD1 4.04Å; K258-I262 VanDerWaalsContact O-CG1 3.28Å; K258-I262 WeakPolarHBondContact O-CG1 3.25Å; K258-I262 PolarHBondContact O-N 3.04Å; K258-M299 HydrophobicContact CB-SD 4.48Å
259G67.9Low66.2Low27 Ų2758.2 Ų58.228%0.27830%0.301SS..Hα-helixtrans-59.8-48.7175.700000111.6E255 E256 F261 I262 N263E255-G259 PolarHBondContact O-N 3.01Å; E256-G259 WeakPolarHBondContact O-CA 3.46Å; E256-G259 PolarHBondContact O-N 2.86Å; G259-F261 PolarHBondContact O-N 3.23Å; G259-I262 PolarHBondContact O-N 3.4Å; G259-N263 WeakPolarHBondContact O-CB 3.18Å; G259-N263 VanDerWaalsContact O-CG 3.25Å; G259-N263 PolarHBondContact O-N 2.94Å; G259-N263 PolarHBondContact O-ND2 3.02Å
260D64.9Low65.3Low52 Ų5262.5 Ų62.528%0.27832%0.324SS..Hα-helixtrans-61.1-42.5176.7-77.3-7.3000112.4E256 I257 I262 N263 A264 L430 H432E256-D260 PolarHBondContact O-N 3.42Å; I257-D260 PolarHBondContact O-N 3.12Å; D260-I262 PolarHBondContact O-N 3Å; D260-N263 PolarHBondContact O-N 3.07Å; D260-A264 WeakPolarHBondContact O-CB 3.42Å; D260-A264 PolarHBondContact O-N 3.47Å; D260-L430 HydrophobicContact CB-CD2 3.52Å; D260-L430 HydrophobicContact CB-CG 4.22Å; D260-H432 IonicContact OD2-CE1 3.3Å; D260-H432 PolarHBondContact OD2-CE1 3.2Å; D260-H432 IonicContact OD2-ND1 3.79Å; D260-H432 IonicContact OD2-NE2 2.73Å
261F65.9Low64.6Low9 Ų966.3 Ų66.34%0.03934%0.34CS..Hα-helixtrans-61.1-44.9176.2-178.3-93.8000112I257 K258 G259 A264 M265 N297 F420 F426I257-F261 WeakPolarHBondContact O-CB 3.1Å; I257-F261 PolarHBondContact O-N 3.38Å; K258-F261 PolarHBondContact O-N 3.19Å; G259-F261 PolarHBondContact O-N 3.23Å; F261-A264 PolarHBondContact O-N 2.87Å; F261-M265 HydrophobicContact CD1-CG 4.14Å; F261-M265 HydrophobicContact CE1-CE 4.39Å; F261-M265 HydrophobicContact CE1-CG 3.58Å; F261-M265 HydrophobicContact CE1-SD 4.46Å; F261-M265 HydrophobicContact CE2-CG 4.33Å; F261-M265 HydrophobicContact CZ-CE 4.21Å; F261-M265 HydrophobicContact CZ-CG 3.7Å; F261-M265 HydrophobicContact CZ-SD 4.08Å; F261-M265 WeakPolarHBondContact O-CG 3.41Å; F261-M265 PolarHBondContact O-N 3.42Å; F261-N297 HydrophobicContact CD1-CB 3.83Å; F261-N297 HydrophobicContact CE1-CB 3.7Å; F261-F420 HydrophobicContact CD2-CD2 4.36Å; F261-F420 AromaticContact CD2-CE2 3.91Å; F261-F420 HydrophobicContact CD2-CE2 3.91Å; F261-F420 HydrophobicContact CD2-CZ 4.49Å; F261-F420 HydrophobicContact CE1-CE2 4.38Å; F261-F420 HydrophobicContact CE2-CD2 4.07Å; F261-F420 AromaticContact CE2-CE2 3.22Å; F261-F420 HydrophobicContact CE2-CE2 3.22Å; F261-F420 AromaticContact CE2-CZ 3.49Å; F261-F420 HydrophobicContact CE2-CZ 3.49Å; F261-F420 VanDerWaalsContact CE2-CZ 3.49Å; F261-F420 AromaticContact CZ-CE2 3.5Å; F261-F420 HydrophobicContact CZ-CE2 3.5Å; F261-F420 AromaticContact CZ-CZ 3.79Å; F261-F420 HydrophobicContact CZ-CZ 3.79Å; F261-F426 HydrophobicContact CD2-CZ 4.46Å; F261-F426 AromaticContact CE2-CE2 3.95Å; F261-F426 HydrophobicContact CE2-CE2 3.95Å; F261-F426 HydrophobicContact CE2-CZ 4.11Å
262I67.3Low63.3Low67 Ų6767.6 Ų67.634%0.34435%0.347SS..Hα-helixtrans-62.1-45.6176.9-70166.4000110.1K258 G259 D260 A264 M265 L266K258-I262 HydrophobicContact CG-CD1 4.04Å; K258-I262 VanDerWaalsContact O-CG1 3.28Å; K258-I262 WeakPolarHBondContact O-CG1 3.25Å; K258-I262 PolarHBondContact O-N 3.04Å; G259-I262 PolarHBondContact O-N 3.4Å; D260-I262 PolarHBondContact O-N 3Å; I262-A264 VanDerWaalsContact C-N 3.34Å; I262-A264 PolarHBondContact O-N 3.31Å; I262-M265 PolarHBondContact O-N 2.78Å; I262-L266 HydrophobicContact CG2-CD1 3.88Å; I262-L266 HydrophobicContact CG2-CG 4.33Å; I262-L266 WeakPolarHBondContact O-CG 3.16Å; I262-L266 PolarHBondContact O-N 3.11Å
263N63.9Low61.9Low80 Ų8067.3 Ų67.343%0.42837%0.368SS..Hα-helixtrans-60.6-43.1177.7-71-25.9000111.7G259 D260 L266 R267G259-N263 WeakPolarHBondContact O-CB 3.18Å; G259-N263 VanDerWaalsContact O-CG 3.25Å; G259-N263 PolarHBondContact O-N 2.94Å; G259-N263 PolarHBondContact O-ND2 3.02Å; D260-N263 PolarHBondContact O-N 3.07Å; N263-L266 PolarHBondContact O-N 2.91Å; N263-R267 VanDerWaalsContact O-CG 3.28Å; N263-R267 WeakPolarHBondContact O-CG 3.43Å; N263-R267 PolarHBondContact O-N 3.4Å; N263-R267 VanDerWaalsContact O-N 3.07Å
264A63.3Low60.5Low28 Ų2873.1 Ų73.123%0.23140%0.398CS..Hα-helixtrans-64-39.817600000112.4D260 F261 I262 K268D260-A264 WeakPolarHBondContact O-CB 3.42Å; D260-A264 PolarHBondContact O-N 3.47Å; F261-A264 PolarHBondContact O-N 2.87Å; I262-A264 VanDerWaalsContact C-N 3.34Å; I262-A264 PolarHBondContact O-N 3.31Å; A264-K268 PolarHBondContact O-N 3.32Å
265M65.2Low59Low62 Ų6279 Ų7931%0.30543%0.429SS..Hα-helixtrans-65.9-46.8175.9-76.4-71.2-98.200111.8F261 I262 R267 K268 T269 F426F261-M265 HydrophobicContact CD1-CG 4.14Å; F261-M265 HydrophobicContact CE1-CE 4.39Å; F261-M265 HydrophobicContact CE1-CG 3.58Å; F261-M265 HydrophobicContact CE1-SD 4.46Å; F261-M265 HydrophobicContact CE2-CG 4.33Å; F261-M265 HydrophobicContact CZ-CE 4.21Å; F261-M265 HydrophobicContact CZ-CG 3.7Å; F261-M265 HydrophobicContact CZ-SD 4.08Å; F261-M265 WeakPolarHBondContact O-CG 3.41Å; F261-M265 PolarHBondContact O-N 3.42Å; I262-M265 PolarHBondContact O-N 2.78Å; M265-R267 VanDerWaalsContact C-N 3.27Å; M265-R267 PolarHBondContact O-N 3.44Å; M265-K268 WeakPolarHBondContact O-CB 2.88Å; M265-K268 PolarHBondContact O-N 3.16Å; M265-T269 PolarHBondContact O-N 3.44Å; M265-T269 PolarHBondContact O-OG1 2.86Å; M265-F426 HydrophobicContact SD-CE2 4.4Å
266L64.7Low57.5Low80 Ų8079.1 Ų79.142%0.41943%0.434SS..Hα-helixtrans-59.3-38.5177.7-70.9170.3000111.9I262 N263 K268 T269 N270I262-L266 HydrophobicContact CG2-CD1 3.88Å; I262-L266 HydrophobicContact CG2-CG 4.33Å; I262-L266 WeakPolarHBondContact O-CG 3.16Å; I262-L266 PolarHBondContact O-N 3.11Å; N263-L266 PolarHBondContact O-N 2.91Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.35Å; L266-T269 PolarHBondContact O-N 3.17Å; L266-N270 PolarHBondContact O-N 3.48Å; L266-N270 VanDerWaalsContact O-N 3.09Å
267R59.1Low56.1Low88 Ų8882.2 Ų82.233%0.33245%0.453SS..Hα-helixtrans-62-38.8173.5-71.4174.1-171.7-163.32.6112.1E117 N263 M265 N271E117-R267 IonicContact OE1-NH1 3.64Å; E117-R267 PolarHBondContact OE1-NH1 2.69Å; N263-R267 VanDerWaalsContact O-CG 3.28Å; N263-R267 WeakPolarHBondContact O-CG 3.43Å; N263-R267 PolarHBondContact O-N 3.4Å; N263-R267 VanDerWaalsContact O-N 3.07Å; M265-R267 VanDerWaalsContact C-N 3.27Å; M265-R267 PolarHBondContact O-N 3.44Å; R267-N271 PolarHBondContact O-N 2.84Å
268K58Low54.8Low92 Ų9286.3 Ų86.340%0.447%0.472SS..Hα-helixtrans-67.7-42.9176.1-75.3-177.1-179.8175.20112.5A264 M265 L266 N270 N271 N272 F426A264-K268 PolarHBondContact O-N 3.32Å; M265-K268 WeakPolarHBondContact O-CB 2.88Å; M265-K268 PolarHBondContact O-N 3.16Å; L266-K268 VanDerWaalsContact C-N 3.33Å; L266-K268 PolarHBondContact O-N 3.35Å; K268-N270 VanDerWaalsContact C-N 3.33Å; K268-N270 PolarHBondContact O-N 3.43Å; K268-N271 PolarHBondContact O-N 3.47Å; K268-N272 PolarHBondContact O-N 3.47Å; K268-F426 VanDerWaalsContact NZ-CE2 3.29Å
269T58.2Low53.2Low69 Ų6991.8 Ų91.842%0.42350%0.496SS..Hα-helixtrans-67.6-35.2-178.8-19.60000111.9M265 L266 N271 N272M265-T269 PolarHBondContact O-N 3.44Å; M265-T269 PolarHBondContact O-OG1 2.86Å; L266-T269 PolarHBondContact O-N 3.17Å; T269-N271 VanDerWaalsContact C-N 3.33Å; T269-N272 CarbonylContact O-C 3.53Å
270N54Low52Low109 Ų10993.6 Ų93.658%0.58350%0.495SS*.Hα-helixtrans-69.9-30.3175.3-73.3-13.4000112.7L266 K268L266-N270 PolarHBondContact O-N 3.48Å; L266-N270 VanDerWaalsContact O-N 3.09Å; K268-N270 VanDerWaalsContact C-N 3.33Å; K268-N270 PolarHBondContact O-N 3.43Å
271N50.9Low50.9Low136 Ų13696.2 Ų96.273%0.72751%0.509SS*.Hα-helixtrans-83.6-31.6177.4-73.6-10.8000113.2R267 K268 T269R267-N271 PolarHBondContact O-N 2.84Å; K268-N271 PolarHBondContact O-N 3.47Å; T269-N271 VanDerWaalsContact C-N 3.33Å
272N43.3Very low49.8Very low116 Ų116103.1 Ų103.162%0.6254%0.541SS*.  trans-120.9100.6178.9-74.6-12.8000109.3K268 T269 N274K268-N272 PolarHBondContact O-N 3.47Å; T269-N272 CarbonylContact O-C 3.53Å; N272-N274 PolarHBondContact O-N 3.32Å
273G41.9Very low48.5Very low77 Ų77105.1 Ų105.179%0.79456%0.56SS**  trans-65.729.9175.300000115.6
274N38.5Very low48Very low133 Ų133105 Ų10571%0.71156%0.559SS**  trans-110108.8176.2-77.4-12.4000109.9N272 D276N272-N274 PolarHBondContact O-N 3.32Å; N274-D276 PolarHBondContact O-N 2.82Å
275N36.6Very low47.7Very low136 Ų136108.3 Ų108.373%0.72757%0.566SS**  trans-68.372.2169.4-78.2-27.2000110.5N277N275-N277 VanDerWaalsContact C-N 3.26Å; N275-N277 PolarHBondContact O-N 3.35Å
276D38.9Very low47.3Very low131 Ų131113.5 Ų113.570%0.70159%0.586SS**  trans-75.191.3160-81.6-16.7000107.4N274 Q278N274-D276 PolarHBondContact O-N 2.82Å; D276-Q278 HydrophobicContact CB-CG 4.47Å; D276-Q278 PolarHBondContact O-N 3.07Å
277N37.6Very low47.6Very low146 Ų146112.4 Ų112.478%0.78159%0.585SS**  trans-61.478.9164.7-77.7-29000108.3N275 K279N275-N277 VanDerWaalsContact C-N 3.26Å; N275-N277 PolarHBondContact O-N 3.35Å; N277-K279 VanDerWaalsContact C-N 3.3Å; N277-K279 PolarHBondContact O-N 3.39Å
278Q41.3Very low48.2Very low91 Ų91108.4 Ų108.443%0.42557%0.571SS.*  trans-64.693.2173.1-73.7-175.7-1.700107.9D276 Y280 T424D276-Q278 HydrophobicContact CB-CG 4.47Å; D276-Q278 PolarHBondContact O-N 3.07Å; Q278-Y280 WeakPolarHBondContact O-CD2 3.39Å; Q278-Y280 PolarHBondContact O-N 3.29Å; Q278-T424 PolarHBondContact OE1-OG1 3.43Å
279K35.5Very low48.9Very low199 Ų199108.2 Ų108.287%0.86557%0.574SS**  trans-64.199165.5-81.7-179.3174.21790107.3N277 D281N277-K279 VanDerWaalsContact C-N 3.3Å; N277-K279 PolarHBondContact O-N 3.39Å; K279-D281 PolarHBondContact O-N 3.25Å
280Y44Very low49.9Very low64 Ų64111.6 Ų111.625%0.25159%0.589SS.*  trans-58.8116.8168.4-64.6-82.3000108.6Q278 E282Q278-Y280 WeakPolarHBondContact O-CD2 3.39Å; Q278-Y280 PolarHBondContact O-N 3.29Å; Y280-E282 PolarHBondContact O-N 3.39Å
281D41.5Very low51.2Low108 Ų108107.6 Ų107.658%0.57857%0.567SS**  trans-51.6120-176.7-107.6-40000111.4K279 C283K279-D281 PolarHBondContact O-N 3.25Å; D281-C283 VanDerWaalsContact C-N 3.25Å; D281-C283 PolarHBondContact O-N 3.23Å
282E42.4Very low52.7Low154 Ų154101.5 Ų101.572%0.7254%0.535SS*.THydrogen-bonded Turntrans-70.8-21.8-178.1-80-176.5152.900112.6Y280Y280-E282 PolarHBondContact O-N 3.39Å
283C39Very low54.6Low108 Ų108102.6 Ų102.673%0.7353%0.531SS*.THydrogen-bonded Turntrans-71.8-40.9-172.9-136.90000112.7D281 R285D281-C283 VanDerWaalsContact C-N 3.25Å; D281-C283 PolarHBondContact O-N 3.23Å; C283-R285 PolarHBondContact O-N 3.36Å
284D54Low56.4Low78 Ų78101.5 Ų101.542%0.41751%0.511SS..THydrogen-bonded Turntrans-68.6-21.7-179.6-78.3-19.4000113.4K286 S287 F421D284-K286 VanDerWaalsContact C-N 3.26Å; D284-K286 PolarHBondContact O-N 2.48Å; D284-S287 PolarHBondContact O-N 3.01Å; D284-F421 HydrophobicContact CB-CE1 4.23Å
285R57.1Low57.9Low98 Ų9896.5 Ų96.537%0.3748%0.484SS..Hα-helixtrans-63-31.3-177.7-65-173.5176.8167.7-1.8112.9C283 I288 N289C283-R285 PolarHBondContact O-N 3.36Å; R285-I288 PolarHBondContact O-N 2.87Å; R285-N289 WeakPolarHBondContact O-CB 3.44Å; R285-N289 PolarHBondContact O-N 2.92Å; R285-N289 PolarHBondContact O-ND2 3.47Å; R285-N289 VanDerWaalsContact O-ND2 3.1Å
286K58Low59.4Low170 Ų17091.3 Ų91.374%0.73946%0.463SS*.Hα-helixtrans-66.9-40.2-176.3-77-173.8-179.7176.30112.5D284D284-K286 VanDerWaalsContact C-N 3.26Å; D284-K286 PolarHBondContact O-N 2.48Å
287S69.7Low60.8Low57 Ų5788.4 Ų88.440%0.39945%0.447SS..Hα-helixtrans-68.3-43178.1-1670000111.3D284 N289 N290 N333D284-S287 PolarHBondContact O-N 3.01Å; S287-N289 PolarHBondContact O-N 3.17Å; S287-N290 WeakPolarHBondContact O-CB 3.36Å; S287-N290 PolarHBondContact O-N 3.18Å; S287-N290 PolarHBondContact O-ND2 3.4Å; S287-N333 PolarHBondContact OG-OD1 3.32Å
288I71.7Confident62.3Low4 Ų481.9 Ų81.92%0.02142%0.415CS..Hα-helixtrans-64.3-40.5-178.2-61172.7000111.8R285 N290 F291 A292 Y300 F419 F421R285-I288 PolarHBondContact O-N 2.87Å; I288-N290 PolarHBondContact O-N 2.94Å; I288-F291 HydrophobicContact CB-CE1 4.38Å; I288-F291 HydrophobicContact CG1-CE1 4.48Å; I288-F291 HydrophobicContact CG2-CE1 4.45Å; I288-F291 HydrophobicContact CG2-CZ 4.19Å; I288-F291 PolarHBondContact O-N 2.76Å; I288-F291 VanDerWaalsContact O-N 3.14Å; I288-A292 HydrophobicContact CG2-CB 4.02Å; I288-A292 PolarHBondContact O-N 2.73Å; I288-Y300 HydrophobicContact CB-CE1 4.25Å; I288-Y300 HydrophobicContact CD1-CE2 4.5Å; I288-Y300 HydrophobicContact CG2-CD1 3.39Å; I288-Y300 HydrophobicContact CG2-CD2 4.25Å; I288-Y300 HydrophobicContact CG2-CE1 3.5Å; I288-Y300 HydrophobicContact CG2-CE2 4.35Å; I288-Y300 HydrophobicContact CG2-CG 3.79Å; I288-F419 HydrophobicContact CG2-CE2 4.46Å; I288-F419 HydrophobicContact CG2-CZ 4.03Å; I288-F421 HydrophobicContact CD1-CB 4.29Å; I288-F421 HydrophobicContact CD1-CD1 3.5Å; I288-F421 HydrophobicContact CD1-CD2 4.02Å; I288-F421 HydrophobicContact CD1-CE1 3.71Å; I288-F421 HydrophobicContact CD1-CE2 4.2Å; I288-F421 HydrophobicContact CD1-CG 3.66Å; I288-F421 HydrophobicContact CD1-CZ 4.04Å
289N72.6Confident63.9Low88 Ų8877.7 Ų77.747%0.47140%0.395SS..THydrogen-bonded Turntrans-61.8-13.4179.6-73.3-24.9000114.1R285 S287 A292R285-N289 WeakPolarHBondContact O-CB 3.44Å; R285-N289 PolarHBondContact O-N 2.92Å; R285-N289 PolarHBondContact O-ND2 3.47Å; R285-N289 VanDerWaalsContact O-ND2 3.1Å; S287-N289 PolarHBondContact O-N 3.17Å; N289-A292 WeakPolarHBondContact CA-O 3.33Å
290N79Confident65.9Low140 Ų14068.5 Ų68.575%0.74936%0.355SS*.THydrogen-bonded Turntrans-74.5-29.4177-65.3-28.4000113.1S287 I288S287-N290 WeakPolarHBondContact O-CB 3.36Å; S287-N290 PolarHBondContact O-N 3.18Å; S287-N290 PolarHBondContact O-ND2 3.4Å; I288-N290 PolarHBondContact O-N 2.94Å
291F81Confident67.7Low26 Ų2666.4 Ų66.411%0.11435%0.349CS..THydrogen-bonded Turntrans-125.8-8.3-177.170.6-89.5000113.4I288 S303 V329 N333 I335 F419I288-F291 HydrophobicContact CB-CE1 4.38Å; I288-F291 HydrophobicContact CG1-CE1 4.48Å; I288-F291 HydrophobicContact CG2-CE1 4.45Å; I288-F291 HydrophobicContact CG2-CZ 4.19Å; I288-F291 PolarHBondContact O-N 2.76Å; I288-F291 VanDerWaalsContact O-N 3.14Å; F291-S303 PolarHBondContact O-N 3.26Å; F291-S303 PolarHBondContact O-OG 3.43Å; F291-V329 HydrophobicContact CB-CG1 4.07Å; F291-V329 HydrophobicContact CD1-CG1 3.92Å; F291-V329 HydrophobicContact CD2-CG1 3.47Å; F291-V329 VanDerWaalsContact CD2-CG1 3.47Å; F291-V329 HydrophobicContact CE1-CG1 4.21Å; F291-V329 HydrophobicContact CE2-CG1 3.81Å; F291-V329 HydrophobicContact CG-CG1 3.53Å; F291-V329 HydrophobicContact CZ-CG1 4.17Å; F291-N333 HydrophobicContact CE1-CB 4.09Å; F291-N333 VanDerWaalsContact CE1-ND2 3.34Å; F291-N333 WeakPolarHBondContact CE1-ND2 3.32Å; F291-N333 HydrophobicContact CZ-CB 4.17Å; F291-I335 HydrophobicContact CE2-CD1 4.08Å; F291-I335 HydrophobicContact CZ-CD1 3.58Å; F291-F419 HydrophobicContact CE2-CE1 4.1Å; F291-F419 AromaticContact CE2-CZ 3.8Å; F291-F419 HydrophobicContact CE2-CZ 3.8Å; F291-F419 HydrophobicContact CZ-CZ 4.16Å
292A84Confident69.7Low7 Ų761.7 Ų61.76%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-138.8144.7-179.900000112I288 N289 Y300 V301 F419I288-A292 HydrophobicContact CG2-CB 4.02Å; I288-A292 PolarHBondContact O-N 2.73Å; N289-A292 WeakPolarHBondContact CA-O 3.33Å; A292-Y300 HydrophobicContact CB-CD1 4.36Å; A292-V301 CarbonylContact C-O 3.54Å; A292-V301 WeakPolarHBondContact CA-O 3.38Å; A292-V301 WeakPolarHBondContact CB-O 3.06Å; A292-F419 HydrophobicContact CB-CE1 3.64Å; A292-F419 HydrophobicContact CB-CZ 3.73Å
293R81.4Confident71.5Confident139 Ų13957.3 Ų57.353%0.52531%0.31SS..EExtended strand (participates in β ladder)trans-93.2126.3175.1-176178.565.9132.42.1109.7Y300 V301R293-Y300 WeakPolarHBondContact O-CA 3.19Å; R293-V301 PolarHBondContact N-O 3.2Å; R293-V301 PolarHBondContact O-N 3.31Å
294S80.2Confident73.4Confident54 Ų5455.4 Ų55.438%0.37829%0.293SS..EExtended strand (participates in β ladder)trans-66.8136.7172.6-169.40000111.6G296S294-G296 PolarHBondContact OG-N 3.38Å
295L70.9Confident74.9Confident28 Ų2852.1 Ų52.115%0.14728%0.275CS..EExtended strand (participates in β ladder)trans-99.50.1169.1-59.3172.9000112.4C254 M299 V301 V418C254-L295 HydrophobicContact CB-CD1 3.71Å; C254-L295 HydrophobicContact CB-CD2 3.89Å; C254-L295 HydrophobicContact CB-CG 4.4Å; C254-L295 WeakPolarHBondContact SG-CD1 3.48Å; L295-M299 HydrophobicContact CB-CB 3.97Å; L295-M299 HydrophobicContact CD1-CB 4.21Å; L295-M299 HydrophobicContact CD1-CE 3.93Å; L295-M299 PolarHBondContact N-O 3.08Å; L295-V301 HydrophobicContact CD1-CG2 3.4Å; L295-V301 HydrophobicContact CD2-CG2 3.77Å; L295-V301 HydrophobicContact CG-CG2 3.65Å; L295-V418 HydrophobicContact CD1-CG1 4.27Å
296G67.2Low76.2Confident27 Ų2752 Ų5228%0.27828%0.275SS..EExtended strand (participates in β ladder)trans89.6166.5-169.400000113S294 G298 M299S294-G296 PolarHBondContact OG-N 3.38Å; G296-G298 PolarHBondContact O-N 2.8Å; G296-G298 VanDerWaalsContact O-N 3.11Å; G296-M299 WeakPolarHBondContact O-CB 3.32Å; G296-M299 PolarHBondContact O-N 2.86Å
297N67.8Low77.4Confident70 Ų7043.9 Ų43.937%0.37424%0.239SC..THydrogen-bonded Turntrans54.130.2175.9-59.7-16000115.3F261 M299 F420F261-N297 HydrophobicContact CD1-CB 3.83Å; F261-N297 HydrophobicContact CE1-CB 3.7Å; N297-M299 VanDerWaalsContact C-N 3.29Å; N297-M299 PolarHBondContact O-N 3.31Å; N297-F420 WeakPolarHBondContact O-CE2 3.14Å
298G70.9Confident77.8Confident10 Ų1044.7 Ų44.710%0.10324%0.242CC..THydrogen-bonded Turntrans812.3-178.300000114.8G296 Y300 F421G296-G298 PolarHBondContact O-N 2.8Å; G296-G298 VanDerWaalsContact O-N 3.11Å; G298-Y300 VanDerWaalsContact O-CD2 3.29Å; G298-Y300 WeakPolarHBondContact O-CD2 3.38Å; G298-Y300 WeakPolarHBondContact O-CE2 3.49Å; G298-F421 PolarHBondContact O-N 3.38Å
299M73.2Confident78.1Confident3 Ų344.6 Ų44.62%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-87.1141.6174.5-70.7-174.466.600112.6I257 K258 L295 G296 N297 V418 F420I257-M299 HydrophobicContact CB-CE 3.6Å; I257-M299 HydrophobicContact CB-SD 4.4Å; I257-M299 HydrophobicContact CD1-CE 4.22Å; I257-M299 HydrophobicContact CG2-CE 3.13Å; I257-M299 HydrophobicContact CG2-SD 3.78Å; K258-M299 HydrophobicContact CB-SD 4.48Å; L295-M299 HydrophobicContact CB-CB 3.97Å; L295-M299 HydrophobicContact CD1-CB 4.21Å; L295-M299 HydrophobicContact CD1-CE 3.93Å; L295-M299 PolarHBondContact N-O 3.08Å; G296-M299 WeakPolarHBondContact O-CB 3.32Å; G296-M299 PolarHBondContact O-N 2.86Å; N297-M299 VanDerWaalsContact C-N 3.29Å; N297-M299 PolarHBondContact O-N 3.31Å; M299-V418 HydrophobicContact CE-CG1 4.02Å; M299-F420 HydrophobicContact CG-CB 4.45Å; M299-F420 HydrophobicContact CG-CD2 3.74Å
300Y79.2Confident78.2Confident6 Ų647.3 Ų47.32%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-138.6145.1-179.6-66.3-90.6000111.5I288 A292 R293 G298 V418 F419 F421I288-Y300 HydrophobicContact CB-CE1 4.25Å; I288-Y300 HydrophobicContact CD1-CE2 4.5Å; I288-Y300 HydrophobicContact CG2-CD1 3.39Å; I288-Y300 HydrophobicContact CG2-CD2 4.25Å; I288-Y300 HydrophobicContact CG2-CE1 3.5Å; I288-Y300 HydrophobicContact CG2-CE2 4.35Å; I288-Y300 HydrophobicContact CG2-CG 3.79Å; A292-Y300 HydrophobicContact CB-CD1 4.36Å; R293-Y300 WeakPolarHBondContact O-CA 3.19Å; G298-Y300 VanDerWaalsContact O-CD2 3.29Å; G298-Y300 WeakPolarHBondContact O-CD2 3.38Å; G298-Y300 WeakPolarHBondContact O-CE2 3.49Å; Y300-V418 WeakPolarHBondContact O-CA 3.35Å; Y300-F419 VanDerWaalsContact CB-CZ 3.42Å; Y300-F419 HydrophobicContact CD2-CE2 4.25Å; Y300-F419 HydrophobicContact CG-CE2 4.25Å; Y300-F419 HydrophobicContact CG-CZ 4.09Å; Y300-F419 PolarHBondContact N-O 3.25Å; Y300-F419 PolarHBondContact O-N 3.07Å; Y300-F421 HydrophobicContact CD2-CB 3.88Å; Y300-F421 HydrophobicContact CE2-CB 3.91Å
301V81.3Confident78.2Confident19 Ų1946.1 Ų46.112%0.11524%0.24CC..EExtended strand (participates in β ladder)trans-112.7123170.7-173.80000108.3A292 R293 L295 F416 V418A292-V301 CarbonylContact C-O 3.54Å; A292-V301 WeakPolarHBondContact CA-O 3.38Å; A292-V301 WeakPolarHBondContact CB-O 3.06Å; R293-V301 PolarHBondContact N-O 3.2Å; R293-V301 PolarHBondContact O-N 3.31Å; L295-V301 HydrophobicContact CD1-CG2 3.4Å; L295-V301 HydrophobicContact CD2-CG2 3.77Å; L295-V301 HydrophobicContact CG-CG2 3.65Å; V301-F416 HydrophobicContact CG1-CD2 4.41Å; V301-V418 HydrophobicContact CG1-CG2 4.3Å; V301-V418 HydrophobicContact CG2-CG1 4.25Å; V301-V418 HydrophobicContact CG2-CG2 4.08Å
302T82.6Confident77.9Confident9 Ų947.9 Ų47.96%0.05525%0.253CS..EExtended strand (participates in β ladder)trans-64.9158175.552.60000112.3Y305 F330 C417 F419T302-Y305 HydrophobicContact CG2-CE2 4.03Å; T302-F330 HydrophobicContact CG2-CE2 3.67Å; T302-F330 HydrophobicContact CG2-CZ 3.88Å; T302-C417 WeakPolarHBondContact CB-O 3.21Å; T302-C417 HydrophobicContact CG2-CB 4.35Å; T302-C417 WeakPolarHBondContact CG2-O 3.33Å; T302-C417 PolarHBondContact N-O 3.22Å; T302-C417 PolarHBondContact OG1-N 3.26Å; T302-C417 PolarHBondContact OG1-O 3.21Å; T302-F419 HydrophobicContact CG2-CD1 3.58Å; T302-F419 HydrophobicContact CG2-CE1 3.39Å
303S79.7Confident77.7Confident62 Ų6252.8 Ų52.843%0.43428%0.278SS..PPolyproline II helixtrans-61.5162.215456.80000110.8F291 Y305F291-S303 PolarHBondContact O-N 3.26Å; F291-S303 PolarHBondContact O-OG 3.43Å; S303-Y305 WeakPolarHBondContact O-CE2 3.38Å
304N79.4Confident77.9Confident68 Ų6848.8 Ų48.836%0.36427%0.265SS..PPolyproline II helixtrans-69.1138.9176-58.9-26.5000111.1Y306 F416N304-Y306 HydrophobicContact CB-CD1 4.32Å; N304-Y306 HydrophobicContact CB-CD2 4.36Å; N304-Y306 HydrophobicContact CB-CE1 3.54Å; N304-Y306 HydrophobicContact CB-CE2 3.59Å; N304-Y306 WeakPolarHBondContact CB-OH 3.5Å; N304-Y306 PolarHBondContact ND2-OH 3.37Å; N304-Y306 VanDerWaalsContact O-CE2 3.27Å; N304-Y306 WeakPolarHBondContact O-CE2 3.3Å; N304-F416 WeakPolarHBondContact OD1-CB 3.36Å
305Y86.6Confident78.1Confident10 Ų1046.2 Ų46.24%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-105.5138.6166-58-77.6000108.3T302 S303 A322 Q325 M326 V329 A414 L415T302-Y305 HydrophobicContact CG2-CE2 4.03Å; S303-Y305 WeakPolarHBondContact O-CE2 3.38Å; Y305-A322 WeakPolarHBondContact CB-O 3.28Å; Y305-Q325 HydrophobicContact CD1-CB 3.82Å; Y305-M326 HydrophobicContact CD1-CB 4.11Å; Y305-M326 HydrophobicContact CD2-CB 3.62Å; Y305-M326 HydrophobicContact CD2-CG 3.84Å; Y305-M326 HydrophobicContact CD2-SD 4.31Å; Y305-M326 HydrophobicContact CE1-CB 4.26Å; Y305-M326 HydrophobicContact CE2-CB 3.78Å; Y305-M326 HydrophobicContact CE2-CG 3.61Å; Y305-M326 HydrophobicContact CE2-SD 4.35Å; Y305-M326 HydrophobicContact CG-CB 3.78Å; Y305-M326 HydrophobicContact CG-CG 4.49Å; Y305-V329 HydrophobicContact CE1-CB 4.22Å; Y305-V329 HydrophobicContact CE1-CG2 3.86Å; Y305-V329 WeakPolarHBondContact OH-CG1 3.47Å; Y305-A414 CarbonylContact O-C 3.48Å; Y305-A414 WeakPolarHBondContact O-CA 3.47Å; Y305-L415 PolarHBondContact N-O 3.35Å; Y305-L415 PolarHBondContact O-N 2.96Å
306Y83.3Confident79.1Confident94 Ų9448 Ų4837%0.36925%0.253SS..EExtended strand (participates in β ladder)trans-127.5135.6-169.1-50.9-91000111N304 Q325 Y413 A414N304-Y306 HydrophobicContact CB-CD1 4.32Å; N304-Y306 HydrophobicContact CB-CD2 4.36Å; N304-Y306 HydrophobicContact CB-CE1 3.54Å; N304-Y306 HydrophobicContact CB-CE2 3.59Å; N304-Y306 WeakPolarHBondContact CB-OH 3.5Å; N304-Y306 PolarHBondContact ND2-OH 3.37Å; N304-Y306 VanDerWaalsContact O-CE2 3.27Å; N304-Y306 WeakPolarHBondContact O-CE2 3.3Å; Y306-Q325 PolarHBondContact O-NE2 2.92Å; Y306-Y413 WeakPolarHBondContact CA-O 3.42Å; Y306-Y413 VanDerWaalsContact CB-O 3.24Å; Y306-Y413 WeakPolarHBondContact CB-O 3.49Å; Y306-Y413 WeakPolarHBondContact CD1-O 3.44Å; Y306-A414 HydrophobicContact CD1-CB 3.4Å; Y306-A414 VanDerWaalsContact CD1-CB 3.4Å; Y306-A414 HydrophobicContact CE1-CB 3.51Å
307G82.7Confident80.2Confident0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-107.3155.416300000109.4A318 Y413G307-A318 VanDerWaalsContact CA-O 3.25Å; G307-A318 WeakPolarHBondContact CA-O 3.3Å; G307-Y413 PolarHBondContact N-O 2.8Å; G307-Y413 VanDerWaalsContact N-O 3.16Å; G307-Y413 WeakPolarHBondContact O-CA 3.43Å; G307-Y413 VanDerWaalsContact O-CB 3.3Å; G307-Y413 WeakPolarHBondContact O-CB 3.49Å; G307-Y413 WeakPolarHBondContact O-CD2 3.34Å; G307-Y413 PolarHBondContact O-N 2.94Å
308T79.5Confident81.1Confident75 Ų7548.6 Ų48.646%0.4625%0.246SC..EExtended strand (participates in β ladder)trans-132.6140.6173.8580000110.7M411T308-M411 VanDerWaalsContact CA-O 3.29Å; T308-M411 WeakPolarHBondContact CA-O 3.46Å
309G78.2Confident81.9Confident2 Ų248.5 Ų48.52%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-131.2150.4169.900000109.6E314 M411G309-E314 VanDerWaalsContact CA-OE2 3.23Å; G309-E314 WeakPolarHBondContact CA-OE2 3.39Å; G309-M411 PolarHBondContact N-O 2.93Å; G309-M411 VanDerWaalsContact N-O 3.13Å; G309-M411 WeakPolarHBondContact O-CA 3.43Å; G309-M411 WeakPolarHBondContact O-CB 3.47Å; G309-M411 WeakPolarHBondContact O-CG 3.42Å; G309-M411 PolarHBondContact O-N 2.72Å
310E74.9Confident82.8Confident144 Ų14450.7 Ų50.767%0.67325%0.254SS*.SBendtrans-80.6-26169.8-59.7-163159.100111.6E314 T410E310-E314 PolarHBondContact N-OE2 3.27Å; E310-T410 HydrophobicContact CG-CG2 4.1Å
311K78.1Confident83.3Confident115 Ų11553.7 Ų53.750%0.527%0.27SS..SBendtrans-126.3166.4-175.5-55.4174.9-171.91610112.6D313 E314K311-D313 WeakPolarHBondContact CB-OD1 3.42Å; K311-E314 HydrophobicContact CB-CG 4.23Å; K311-E314 PolarHBondContact N-OE2 2.93Å; K311-E314 PolarHBondContact O-N 3.45Å
312V74Confident83.6Confident63 Ų6353 Ų5338%0.38227%0.267SS..G310 helixtrans-70.9-33.5-179.9178.40000111.7E314 I315 V355 M411V312-E314 PolarHBondContact O-N 3.25Å; V312-I315 HydrophobicContact CG1-CD1 4.02Å; V312-I315 WeakPolarHBondContact O-CD1 3.37Å; V312-I315 WeakPolarHBondContact O-CG1 3.5Å; V312-I315 PolarHBondContact O-N 3.44Å; V312-V355 HydrophobicContact CG1-CG2 3.57Å; V312-M411 HydrophobicContact CG2-SD 4.42Å
313D80.7Confident84Confident111 Ų11152.5 Ų52.559%0.59426%0.264SS*.G310 helixtrans-68.4-16.217652.4-31.5000113.1K311 I315K311-D313 WeakPolarHBondContact CB-OD1 3.42Å; D313-I315 VanDerWaalsContact C-N 3.26Å; D313-I315 PolarHBondContact O-N 2.85Å
314E85.6Confident84.5Confident54 Ų5452 Ų5225%0.25226%0.26SS..G310 helixtrans-86.29.2178.8-62.7171.3-16900113.5G309 E310 K311 V312 Y316 E317 A318G309-E314 VanDerWaalsContact CA-OE2 3.23Å; G309-E314 WeakPolarHBondContact CA-OE2 3.39Å; E310-E314 PolarHBondContact N-OE2 3.27Å; K311-E314 HydrophobicContact CB-CG 4.23Å; K311-E314 PolarHBondContact N-OE2 2.93Å; K311-E314 PolarHBondContact O-N 3.45Å; V312-E314 PolarHBondContact O-N 3.25Å; E314-Y316 PolarHBondContact O-N 2.91Å; E314-E317 VanDerWaalsContact CA-OE2 3.28Å; E314-E317 WeakPolarHBondContact CA-OE2 3.27Å; E314-E317 PolarHBondContact O-N 3.22Å; E314-A318 VanDerWaalsContact O-CB 3.32Å; E314-A318 WeakPolarHBondContact O-CB 3.15Å; E314-A318 PolarHBondContact O-N 3.48Å
315I84.9Confident84.9Confident0 Ų052 Ų520%026%0.258CS..Hα-helixtrans-59-37.3176.2-77.4168.7000111.3V312 D313 T319 Q349 V355 F359 Y413V312-I315 HydrophobicContact CG1-CD1 4.02Å; V312-I315 WeakPolarHBondContact O-CD1 3.37Å; V312-I315 WeakPolarHBondContact O-CG1 3.5Å; V312-I315 PolarHBondContact O-N 3.44Å; D313-I315 VanDerWaalsContact C-N 3.26Å; D313-I315 PolarHBondContact O-N 2.85Å; I315-T319 WeakPolarHBondContact O-CB 3.44Å; I315-T319 PolarHBondContact O-N 2.73Å; I315-T319 PolarHBondContact O-OG1 3.48Å; I315-Q349 HydrophobicContact CD1-CG 4.35Å; I315-V355 HydrophobicContact CD1-CB 3.79Å; I315-V355 HydrophobicContact CD1-CG1 3.66Å; I315-V355 HydrophobicContact CD1-CG2 3.6Å; I315-F359 HydrophobicContact CG2-CB 3.63Å; I315-Y413 HydrophobicContact CD1-CE1 4.37Å; I315-Y413 HydrophobicContact CG1-CE1 3.64Å; I315-Y413 WeakPolarHBondContact CG1-OH 3.17Å
316Y90.2Very high85.1Confident65 Ų6551.5 Ų51.526%0.25526%0.256SS..Hα-helixtrans-61-55.9-179.2-172.1-80.7000109.9E314 A318 T319 E320 S358 E361 A362E314-Y316 PolarHBondContact O-N 2.91Å; Y316-A318 PolarHBondContact O-N 3.02Å; Y316-T319 WeakPolarHBondContact O-CB 3.31Å; Y316-T319 PolarHBondContact O-N 3.3Å; Y316-T319 VanDerWaalsContact O-N 3.15Å; Y316-E320 HydrophobicContact CD1-CG 4.18Å; Y316-E320 VanDerWaalsContact CE1-CD 3.49Å; Y316-E320 HydrophobicContact CE1-CG 3.93Å; Y316-E320 WeakPolarHBondContact O-CG 3.39Å; Y316-E320 PolarHBondContact O-N 3.28Å; Y316-S358 PolarHBondContact N-OG 2.86Å; Y316-E361 HydrophobicContact CE2-CB 4.3Å; Y316-E361 HydrophobicContact CE2-CG 4.04Å; Y316-A362 HydrophobicContact CD1-CB 4.38Å; Y316-A362 HydrophobicContact CD2-CB 3.61Å; Y316-A362 HydrophobicContact CE2-CB 3.77Å; Y316-A362 HydrophobicContact CG-CB 3.92Å
317E91.7Very high85.4Confident108 Ų10848.4 Ų48.451%0.50525%0.245SC..Hα-helixtrans-64.1-41.1-179.3-64.882.1176.900111.9E314 T319 E320 D321E314-E317 VanDerWaalsContact CA-OE2 3.28Å; E314-E317 WeakPolarHBondContact CA-OE2 3.27Å; E314-E317 PolarHBondContact O-N 3.22Å; E317-T319 VanDerWaalsContact C-N 3.27Å; E317-T319 PolarHBondContact O-N 3.28Å; E317-E320 PolarHBondContact O-N 2.89Å; E317-E320 VanDerWaalsContact O-N 3.16Å; E317-D321 PolarHBondContact O-N 2.83Å
318A86.9Confident85.7Confident2 Ų253.4 Ų53.42%0.01727%0.271CS..Hα-helixtrans-61.3-39.2175.200000111.5G307 E314 Y316 E320 D321 A322 Y413G307-A318 VanDerWaalsContact CA-O 3.25Å; G307-A318 WeakPolarHBondContact CA-O 3.3Å; E314-A318 VanDerWaalsContact O-CB 3.32Å; E314-A318 WeakPolarHBondContact O-CB 3.15Å; E314-A318 PolarHBondContact O-N 3.48Å; Y316-A318 PolarHBondContact O-N 3.02Å; A318-E320 VanDerWaalsContact C-N 3.35Å; A318-D321 PolarHBondContact O-N 3.36Å; A318-A322 PolarHBondContact O-N 2.85Å; A318-A322 VanDerWaalsContact O-N 3.1Å; A318-Y413 HydrophobicContact CB-CD2 3.36Å; A318-Y413 HydrophobicContact CB-CE2 3.7Å; A318-Y413 HydrophobicContact CB-CG 4.03Å
319T87.8Confident86.1Confident8 Ų851.5 Ų51.55%0.04926%0.26CS..Hα-helixtrans-64.7-42.1175.4-57.60000110.7I315 Y316 E317 D321 A322 F323 F359 A362I315-T319 WeakPolarHBondContact O-CB 3.44Å; I315-T319 PolarHBondContact O-N 2.73Å; I315-T319 PolarHBondContact O-OG1 3.48Å; Y316-T319 WeakPolarHBondContact O-CB 3.31Å; Y316-T319 PolarHBondContact O-N 3.3Å; Y316-T319 VanDerWaalsContact O-N 3.15Å; E317-T319 VanDerWaalsContact C-N 3.27Å; E317-T319 PolarHBondContact O-N 3.28Å; T319-D321 PolarHBondContact O-N 2.94Å; T319-A322 PolarHBondContact O-N 3.28Å; T319-F323 HydrophobicContact CG2-CD2 4Å; T319-F323 HydrophobicContact CG2-CE2 4.11Å; T319-F323 WeakPolarHBondContact O-CD2 3.29Å; T319-F323 PolarHBondContact O-N 3.33Å; T319-F359 HydrophobicContact CG2-CD2 3.97Å; T319-F359 HydrophobicContact CG2-CE2 4.06Å; T319-A362 HydrophobicContact CG2-CB 3.78Å
320E91.4Very high86.6Confident49 Ų4951.4 Ų51.423%0.22926%0.259CS..Hα-helixtrans-62.3-39.2175.8-63.3-155.512400113.2Y316 E317 A318 F323 S324 Q366 R369Y316-E320 HydrophobicContact CD1-CG 4.18Å; Y316-E320 VanDerWaalsContact CE1-CD 3.49Å; Y316-E320 HydrophobicContact CE1-CG 3.93Å; Y316-E320 WeakPolarHBondContact O-CG 3.39Å; Y316-E320 PolarHBondContact O-N 3.28Å; E317-E320 PolarHBondContact O-N 2.89Å; E317-E320 VanDerWaalsContact O-N 3.16Å; A318-E320 VanDerWaalsContact C-N 3.35Å; E320-F323 PolarHBondContact O-N 3.19Å; E320-S324 WeakPolarHBondContact O-CB 3.28Å; E320-S324 PolarHBondContact O-N 3.24Å; E320-S324 PolarHBondContact O-OG 3.11Å; E320-Q366 VanDerWaalsContact CD-NE2 3.27Å; E320-Q366 HydrophobicContact CG-CG 4.09Å; E320-Q366 VanDerWaalsContact CG-NE2 3.33Å; E320-Q366 PolarHBondContact OE1-NE2 3.48Å; E320-R369 IonicContact OE1-CZ 3.77Å; E320-R369 IonicContact OE1-NH1 3.89Å; E320-R369 IonicContact OE1-NH2 2.75Å; E320-R369 PolarHBondContact OE1-NH2 3.07Å
321D89.1Confident87.2Confident69 Ų6948 Ų4837%0.36925%0.254SS..Hα-helixtrans-63.8-47176.7-179.728.9000111.5E317 A318 T319 F323 S324 Q325E317-D321 PolarHBondContact O-N 2.83Å; A318-D321 PolarHBondContact O-N 3.36Å; T319-D321 PolarHBondContact O-N 2.94Å; D321-F323 VanDerWaalsContact C-N 3.3Å; D321-F323 PolarHBondContact O-N 3.21Å; D321-S324 WeakPolarHBondContact O-CB 3.2Å; D321-S324 PolarHBondContact O-N 3.45Å; D321-S324 VanDerWaalsContact O-N 3.1Å; D321-Q325 VanDerWaalsContact CG-NE2 3.33Å; D321-Q325 WeakPolarHBondContact O-CG 3.43Å; D321-Q325 PolarHBondContact O-N 3.25Å; D321-Q325 PolarHBondContact OD1-NE2 2.95Å; D321-Q325 PolarHBondContact OD2-NE2 3.36Å
322A87.9Confident87.6Confident4 Ų449.4 Ų49.43%0.03327%0.267CS..Hα-helixtrans-58.7-42.7175.800000111.9Y305 A318 T319 M326 L415Y305-A322 WeakPolarHBondContact CB-O 3.28Å; A318-A322 PolarHBondContact O-N 2.85Å; A318-A322 VanDerWaalsContact O-N 3.1Å; T319-A322 PolarHBondContact O-N 3.28Å; A322-M326 PolarHBondContact O-N 2.57Å; A322-M326 VanDerWaalsContact O-N 3.16Å; A322-L415 HydrophobicContact CB-CB 4.03Å; A322-L415 HydrophobicContact CB-CD2 4.45Å
323F90.8Very high88.1Confident0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-64.8-40.4174.6-95.5-87.2000112.5T319 E320 D321 M326 K327 F343 Y363 Q366 L367 L415T319-F323 HydrophobicContact CG2-CD2 4Å; T319-F323 HydrophobicContact CG2-CE2 4.11Å; T319-F323 WeakPolarHBondContact O-CD2 3.29Å; T319-F323 PolarHBondContact O-N 3.33Å; E320-F323 PolarHBondContact O-N 3.19Å; D321-F323 VanDerWaalsContact C-N 3.3Å; D321-F323 PolarHBondContact O-N 3.21Å; F323-M326 HydrophobicContact CD1-CE 3.47Å; F323-M326 VanDerWaalsContact CD1-CE 3.47Å; F323-M326 HydrophobicContact CE1-CE 3.63Å; F323-M326 HydrophobicContact CG-CE 4.22Å; F323-M326 HydrophobicContact CZ-CE 4.47Å; F323-M326 PolarHBondContact O-N 3.31Å; F323-K327 WeakPolarHBondContact O-CB 3.4Å; F323-K327 VanDerWaalsContact O-CG 3.26Å; F323-K327 WeakPolarHBondContact O-CG 3.21Å; F323-K327 PolarHBondContact O-N 3.15Å; F323-F343 HydrophobicContact CE1-CZ 4.32Å; F323-F343 HydrophobicContact CZ-CZ 4.47Å; F323-Y363 AromaticContact CE2-CD2 3.63Å; F323-Y363 HydrophobicContact CE2-CD2 3.63Å; F323-Y363 HydrophobicContact CE2-CE2 4.29Å; F323-Y363 HydrophobicContact CE2-CG 4.25Å; F323-Y363 AromaticContact CZ-CD2 3.55Å; F323-Y363 HydrophobicContact CZ-CD2 3.55Å; F323-Y363 AromaticContact CZ-CE2 3.8Å; F323-Y363 HydrophobicContact CZ-CE2 3.8Å; F323-Y363 HydrophobicContact CZ-CG 4.21Å; F323-Q366 HydrophobicContact CB-CB 4.13Å; F323-Q366 HydrophobicContact CB-CG 4.08Å; F323-Q366 HydrophobicContact CD1-CB 3.84Å; F323-Q366 HydrophobicContact CD2-CB 3.95Å; F323-Q366 HydrophobicContact CD2-CG 4.26Å; F323-Q366 HydrophobicContact CE1-CB 4.18Å; F323-Q366 HydrophobicContact CE2-CB 4.29Å; F323-Q366 HydrophobicContact CG-CB 3.7Å; F323-Q366 HydrophobicContact CG-CG 4.1Å; F323-Q366 HydrophobicContact CZ-CB 4.39Å; F323-L367 HydrophobicContact CE1-CB 4.48Å; F323-L415 HydrophobicContact CD2-CD2 3.75Å; F323-L415 HydrophobicContact CE1-CD2 4.49Å; F323-L415 HydrophobicContact CE2-CD2 3.69Å; F323-L415 HydrophobicContact CG-CD2 4.2Å; F323-L415 HydrophobicContact CZ-CD2 4.08Å
324S91Very high88.3Confident50 Ų5050.6 Ų50.635%0.3527%0.266SS..Hα-helixtrans-62.9-43.9179.8-61.40000111.5E320 D321 M326 K327 N328E320-S324 WeakPolarHBondContact O-CB 3.28Å; E320-S324 PolarHBondContact O-N 3.24Å; E320-S324 PolarHBondContact O-OG 3.11Å; D321-S324 WeakPolarHBondContact O-CB 3.2Å; D321-S324 PolarHBondContact O-N 3.45Å; D321-S324 VanDerWaalsContact O-N 3.1Å; S324-M326 PolarHBondContact O-N 3.38Å; S324-K327 PolarHBondContact O-N 2.83Å; S324-N328 WeakPolarHBondContact O-CB 3.25Å; S324-N328 PolarHBondContact O-N 3.21Å; S324-N328 PolarHBondContact O-ND2 3.15Å; S324-N328 VanDerWaalsContact O-ND2 3.16Å
325Q88.2Confident88.2Confident68 Ų6848.3 Ų48.332%0.31826%0.255SS..Hα-helixtrans-60.2-46174.5-67.3170.239.100111.7Y305 Y306 D321 N328 V329Y305-Q325 HydrophobicContact CD1-CB 3.82Å; Y306-Q325 PolarHBondContact O-NE2 2.92Å; D321-Q325 VanDerWaalsContact CG-NE2 3.33Å; D321-Q325 WeakPolarHBondContact O-CG 3.43Å; D321-Q325 PolarHBondContact O-N 3.25Å; D321-Q325 PolarHBondContact OD1-NE2 2.95Å; D321-Q325 PolarHBondContact OD2-NE2 3.36Å; Q325-N328 PolarHBondContact O-N 2.85Å; Q325-V329 PolarHBondContact O-N 3.22Å
326M89.7Confident88.1Confident0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-63.1-48.3177.7-178179.256.100112.1Y305 A322 F323 S324 N328 V329 F330 F343 W370 L415 C417Y305-M326 HydrophobicContact CD1-CB 4.11Å; Y305-M326 HydrophobicContact CD2-CB 3.62Å; Y305-M326 HydrophobicContact CD2-CG 3.84Å; Y305-M326 HydrophobicContact CD2-SD 4.31Å; Y305-M326 HydrophobicContact CE1-CB 4.26Å; Y305-M326 HydrophobicContact CE2-CB 3.78Å; Y305-M326 HydrophobicContact CE2-CG 3.61Å; Y305-M326 HydrophobicContact CE2-SD 4.35Å; Y305-M326 HydrophobicContact CG-CB 3.78Å; Y305-M326 HydrophobicContact CG-CG 4.49Å; A322-M326 PolarHBondContact O-N 2.57Å; A322-M326 VanDerWaalsContact O-N 3.16Å; F323-M326 HydrophobicContact CD1-CE 3.47Å; F323-M326 VanDerWaalsContact CD1-CE 3.47Å; F323-M326 HydrophobicContact CE1-CE 3.63Å; F323-M326 HydrophobicContact CG-CE 4.22Å; F323-M326 HydrophobicContact CZ-CE 4.47Å; F323-M326 PolarHBondContact O-N 3.31Å; S324-M326 PolarHBondContact O-N 3.38Å; M326-N328 VanDerWaalsContact C-N 3.28Å; M326-N328 PolarHBondContact O-N 2.79Å; M326-V329 PolarHBondContact O-N 2.83Å; M326-V329 VanDerWaalsContact O-N 3.16Å; M326-F330 HydrophobicContact CG-CD2 3.81Å; M326-F330 HydrophobicContact CG-CE2 3.71Å; M326-F330 HydrophobicContact CG-CZ 4.34Å; M326-F330 WeakPolarHBondContact O-CB 3.39Å; M326-F330 VanDerWaalsContact O-CD2 3.23Å; M326-F330 WeakPolarHBondContact O-CD2 3.29Å; M326-F330 PolarHBondContact O-N 2.94Å; M326-F330 HydrophobicContact SD-CE2 4.42Å; M326-F343 HydrophobicContact CE-CE1 3.72Å; M326-F343 HydrophobicContact CE-CZ 4.08Å; M326-F343 HydrophobicContact SD-CE1 3.78Å; M326-F343 HydrophobicContact SD-CZ 4.45Å; M326-W370 HydrophobicContact CE-CH2 4.39Å; M326-W370 HydrophobicContact CE-CZ3 3.69Å; M326-L415 HydrophobicContact CE-CD2 3.97Å; M326-L415 HydrophobicContact SD-CD2 4.44Å; M326-C417 HydrophobicContact SD-CB 3.89Å
327K90.1Very high87.7Confident30 Ų3051 Ų5113%0.1327%0.268CS..Hα-helixtrans-56.5-42.7178.5-77.4176.5179.2-173.90111.3F323 S324 F330 A331 Q366 W370F323-K327 WeakPolarHBondContact O-CB 3.4Å; F323-K327 VanDerWaalsContact O-CG 3.26Å; F323-K327 WeakPolarHBondContact O-CG 3.21Å; F323-K327 PolarHBondContact O-N 3.15Å; S324-K327 PolarHBondContact O-N 2.83Å; K327-F330 PolarHBondContact O-N 3.5Å; K327-A331 VanDerWaalsContact O-CB 3.26Å; K327-A331 WeakPolarHBondContact O-CB 3.49Å; K327-A331 PolarHBondContact O-N 3Å; K327-Q366 PolarHBondContact NZ-O 2.79Å; K327-W370 HydrophobicContact CD-CD2 4.25Å; K327-W370 HydrophobicContact CD-CG 4.34Å; K327-W370 HydrophobicContact CG-CD2 3.78Å; K327-W370 HydrophobicContact CG-CE3 3.9Å; K327-W370 HydrophobicContact CG-CG 4.34Å; K327-W370 HydrophobicContact CG-CH2 4.17Å; K327-W370 HydrophobicContact CG-CZ2 4.07Å; K327-W370 HydrophobicContact CG-CZ3 4.09Å
328N89.7Confident87.1Confident104 Ų10449 Ų4956%0.55626%0.259SS*.Hα-helixtrans-60.7-46.8176.9-71.4-24.9000111.9S324 Q325 M326 F330 L332S324-N328 WeakPolarHBondContact O-CB 3.25Å; S324-N328 PolarHBondContact O-N 3.21Å; S324-N328 PolarHBondContact O-ND2 3.15Å; S324-N328 VanDerWaalsContact O-ND2 3.16Å; Q325-N328 PolarHBondContact O-N 2.85Å; M326-N328 VanDerWaalsContact C-N 3.28Å; M326-N328 PolarHBondContact O-N 2.79Å; N328-F330 VanDerWaalsContact C-N 3.34Å; N328-F330 PolarHBondContact O-N 2.97Å; N328-L332 WeakPolarHBondContact O-CB 3.33Å; N328-L332 VanDerWaalsContact O-CG 3.22Å; N328-L332 WeakPolarHBondContact O-CG 3.45Å; N328-L332 PolarHBondContact O-N 3.17Å; N328-L332 VanDerWaalsContact O-N 3.07Å
329V87.8Confident86.8Confident36 Ų3650.4 Ų50.422%0.21827%0.265CS..Hα-helixtrans-64.4-41177.2174.90000111.3F291 Y305 Q325 M326 N333F291-V329 HydrophobicContact CB-CG1 4.07Å; F291-V329 HydrophobicContact CD1-CG1 3.92Å; F291-V329 HydrophobicContact CD2-CG1 3.47Å; F291-V329 VanDerWaalsContact CD2-CG1 3.47Å; F291-V329 HydrophobicContact CE1-CG1 4.21Å; F291-V329 HydrophobicContact CE2-CG1 3.81Å; F291-V329 HydrophobicContact CG-CG1 3.53Å; F291-V329 HydrophobicContact CZ-CG1 4.17Å; Y305-V329 HydrophobicContact CE1-CB 4.22Å; Y305-V329 HydrophobicContact CE1-CG2 3.86Å; Y305-V329 WeakPolarHBondContact OH-CG1 3.47Å; Q325-V329 PolarHBondContact O-N 3.22Å; M326-V329 PolarHBondContact O-N 2.83Å; M326-V329 VanDerWaalsContact O-N 3.16Å; V329-N333 PolarHBondContact O-N 3.44Å; V329-N333 PolarHBondContact O-ND2 3.05Å
330F88.7Confident86.5Confident0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-67.6-44.5-179.5-86-128.3000111.6T302 M326 K327 N328 L332 N333 E334 I335 I340 W370 F419T302-F330 HydrophobicContact CG2-CE2 3.67Å; T302-F330 HydrophobicContact CG2-CZ 3.88Å; M326-F330 HydrophobicContact CG-CD2 3.81Å; M326-F330 HydrophobicContact CG-CE2 3.71Å; M326-F330 HydrophobicContact CG-CZ 4.34Å; M326-F330 WeakPolarHBondContact O-CB 3.39Å; M326-F330 VanDerWaalsContact O-CD2 3.23Å; M326-F330 WeakPolarHBondContact O-CD2 3.29Å; M326-F330 PolarHBondContact O-N 2.94Å; M326-F330 HydrophobicContact SD-CE2 4.42Å; K327-F330 PolarHBondContact O-N 3.5Å; N328-F330 VanDerWaalsContact C-N 3.34Å; N328-F330 PolarHBondContact O-N 2.97Å; F330-L332 PolarHBondContact O-N 3.47Å; F330-N333 CarbonylContact O-C 3.59Å; F330-N333 PolarHBondContact O-N 2.83Å; F330-N333 VanDerWaalsContact O-N 3.13Å; F330-E334 PolarHBondContact O-N 2.74Å; F330-I335 HydrophobicContact CB-CB 4.14Å; F330-I335 HydrophobicContact CD1-CB 3.63Å; F330-I335 HydrophobicContact CD1-CG2 3.34Å; F330-I335 HydrophobicContact CE1-CB 4.25Å; F330-I335 HydrophobicContact CE1-CG2 3.53Å; F330-I335 HydrophobicContact CG-CB 4.01Å; F330-I335 HydrophobicContact CG-CG2 4.2Å; F330-I335 PolarHBondContact O-N 3.4Å; F330-I340 HydrophobicContact CD1-CD1 4.46Å; F330-I340 HydrophobicContact CE1-CD1 3.87Å; F330-I340 HydrophobicContact CE1-CG1 3.74Å; F330-I340 HydrophobicContact CZ-CG1 4.44Å; F330-W370 HydrophobicContact CB-CH2 3.95Å; F330-W370 HydrophobicContact CB-CZ2 3.78Å; F330-W370 AromaticContact CD1-CH2 3.58Å; F330-W370 HydrophobicContact CD1-CH2 3.58Å; F330-W370 AromaticContact CD1-CZ2 3.99Å; F330-W370 HydrophobicContact CD1-CZ2 3.99Å; F330-W370 HydrophobicContact CE1-CH2 4.26Å; F330-W370 AromaticContact CG-CH2 3.83Å; F330-W370 HydrophobicContact CG-CH2 3.83Å; F330-W370 HydrophobicContact CG-CZ2 4.15Å; F330-F419 HydrophobicContact CE1-CB 4.32Å; F330-F419 HydrophobicContact CE1-CG 4.29Å; F330-F419 HydrophobicContact CZ-CB 4.32Å; F330-F419 AromaticContact CZ-CD1 3.86Å; F330-F419 HydrophobicContact CZ-CD1 3.86Å; F330-F419 HydrophobicContact CZ-CE1 4.34Å; F330-F419 HydrophobicContact CZ-CG 4.05Å
331A87.3Confident85.7Confident71 Ų7148 Ų4859%0.58725%0.254SS*.Hα-helixtrans-60.8-43.4176.600000112K327 N333 E334K327-A331 VanDerWaalsContact O-CB 3.26Å; K327-A331 WeakPolarHBondContact O-CB 3.49Å; K327-A331 PolarHBondContact O-N 3Å; A331-N333 PolarHBondContact O-N 3.44Å; A331-E334 PolarHBondContact O-N 3.33Å; A331-E334 VanDerWaalsContact O-N 3.16Å
332L86.7Confident85.3Confident146 Ų14645 Ų4576%0.76424%0.238SC*.Hα-helixtrans-62.3-22.2176.6-74.1171000113.8N328 F330N328-L332 WeakPolarHBondContact O-CB 3.33Å; N328-L332 VanDerWaalsContact O-CG 3.22Å; N328-L332 WeakPolarHBondContact O-CG 3.45Å; N328-L332 PolarHBondContact O-N 3.17Å; N328-L332 VanDerWaalsContact O-N 3.07Å; F330-L332 PolarHBondContact O-N 3.47Å
333N84.6Confident84.9Confident31 Ų3144.8 Ų44.817%0.16624%0.236CC..THydrogen-bonded Turntrans-112.614.9-179.7-66.9-87.5000112.3S287 F291 V329 F330 A331 I335S287-N333 PolarHBondContact OG-OD1 3.32Å; F291-N333 HydrophobicContact CE1-CB 4.09Å; F291-N333 VanDerWaalsContact CE1-ND2 3.34Å; F291-N333 WeakPolarHBondContact CE1-ND2 3.32Å; F291-N333 HydrophobicContact CZ-CB 4.17Å; V329-N333 PolarHBondContact O-N 3.44Å; V329-N333 PolarHBondContact O-ND2 3.05Å; F330-N333 CarbonylContact O-C 3.59Å; F330-N333 PolarHBondContact O-N 2.83Å; F330-N333 VanDerWaalsContact O-N 3.13Å; A331-N333 PolarHBondContact O-N 3.44Å; N333-I335 HydrophobicContact CB-CD1 4.04Å; N333-I335 HydrophobicContact CB-CG1 4.09Å; N333-I335 WeakPolarHBondContact O-CG1 3.2Å; N333-I335 PolarHBondContact O-N 3.02Å; N333-I335 VanDerWaalsContact O-N 3.11Å
334E83.6Confident84.4Confident167 Ų16744.9 Ų44.978%0.7824%0.237SC*.THydrogen-bonded Turntrans54.529179.3-55-174.6166.900114.2F330 A331F330-E334 PolarHBondContact O-N 2.74Å; A331-E334 PolarHBondContact O-N 3.33Å; A331-E334 VanDerWaalsContact O-N 3.16Å
335I83.1Confident83.9Confident6 Ų642.7 Ų42.73%0.03122%0.221CC..  trans-88124.1178.5-54.8172.4000109.4F291 F330 N333 Q339 F419 F421F291-I335 HydrophobicContact CE2-CD1 4.08Å; F291-I335 HydrophobicContact CZ-CD1 3.58Å; F330-I335 HydrophobicContact CB-CB 4.14Å; F330-I335 HydrophobicContact CD1-CB 3.63Å; F330-I335 HydrophobicContact CD1-CG2 3.34Å; F330-I335 HydrophobicContact CE1-CB 4.25Å; F330-I335 HydrophobicContact CE1-CG2 3.53Å; F330-I335 HydrophobicContact CG-CB 4.01Å; F330-I335 HydrophobicContact CG-CG2 4.2Å; F330-I335 PolarHBondContact O-N 3.4Å; N333-I335 HydrophobicContact CB-CD1 4.04Å; N333-I335 HydrophobicContact CB-CG1 4.09Å; N333-I335 WeakPolarHBondContact O-CG1 3.2Å; N333-I335 PolarHBondContact O-N 3.02Å; N333-I335 VanDerWaalsContact O-N 3.11Å; I335-Q339 HydrophobicContact CG2-CB 4.11Å; I335-F419 HydrophobicContact CD1-CD2 4.12Å; I335-F419 HydrophobicContact CD1-CE2 3.46Å; I335-F419 VanDerWaalsContact CD1-CE2 3.46Å; I335-F419 HydrophobicContact CD1-CZ 3.85Å; I335-F419 HydrophobicContact CG1-CE2 4.46Å; I335-F419 HydrophobicContact CG2-CD2 4.07Å; I335-F419 HydrophobicContact CG2-CE2 4.46Å; I335-F421 HydrophobicContact CG1-CD2 3.99Å; I335-F421 HydrophobicContact CG1-CE2 4.15Å
336K83.9Confident83.6Confident120 Ų12041.4 Ų41.452%0.52222%0.218SC..  trans-88.3149.6-178.9-57.4-172.7178.4-1720111.9Q338 Q339 V374K336-Q338 PolarHBondContact O-N 2.98Å; K336-Q339 HydrophobicContact CB-CG 4.38Å; K336-Q339 WeakPolarHBondContact O-CA 3.02Å; K336-Q339 WeakPolarHBondContact O-CB 3.49Å; K336-Q339 PolarHBondContact O-N 3.1Å; K336-V374 HydrophobicContact CD-CG1 4.29Å
337P81.2Confident83.2Confident2 Ų241.5 Ų41.51%0.01322%0.218CC..G310 helixtrans-59.2-32.5178.121.3-30.8000112.9Q339 I340 W370 L371 V374P337-Q339 PolarHBondContact O-N 3.48Å; P337-I340 WeakPolarHBondContact O-CB 2.77Å; P337-I340 WeakPolarHBondContact O-CG1 3.29Å; P337-I340 PolarHBondContact O-N 2.92Å; P337-W370 HydrophobicContact CB-CD2 3.65Å; P337-W370 HydrophobicContact CB-CE3 3.91Å; P337-W370 HydrophobicContact CB-CG 3.98Å; P337-W370 HydrophobicContact CB-CZ2 4.3Å; P337-W370 HydrophobicContact CB-CZ3 4.34Å; P337-W370 HydrophobicContact CG-CD2 4.03Å; P337-W370 HydrophobicContact CG-CG 3.94Å; P337-L371 HydrophobicContact CB-CD2 3.92Å; P337-L371 HydrophobicContact CB-CG 4.41Å; P337-L371 HydrophobicContact CG-CD2 3.96Å; P337-V374 HydrophobicContact CG-CB 4.28Å; P337-V374 HydrophobicContact CG-CG2 3.9Å
338Q79.2Confident82.5Confident67 Ų6740.8 Ų40.831%0.31322%0.217SC..G310 helixtrans-62.3-13.7175-5884.8-5.300112.8K336 L371 R428K336-Q338 PolarHBondContact O-N 2.98Å; Q338-L371 HydrophobicContact CG-CD2 4.01Å; Q338-R428 PolarHBondContact O-NH1 2.8Å
339Q80.5Confident81.7Confident30 Ų3037 Ų3714%0.1420%0.196CC..G310 helixtrans-85.8-7.6175.7-64.6178.9-100.400113.5I335 K336 P337 F420 R428I335-Q339 HydrophobicContact CG2-CB 4.11Å; K336-Q339 HydrophobicContact CB-CG 4.38Å; K336-Q339 WeakPolarHBondContact O-CA 3.02Å; K336-Q339 WeakPolarHBondContact O-CB 3.49Å; K336-Q339 PolarHBondContact O-N 3.1Å; P337-Q339 PolarHBondContact O-N 3.48Å; Q339-F420 WeakPolarHBondContact CB-O 3.26Å; Q339-F420 PolarHBondContact NE2-O 3.16Å; Q339-F420 PolarHBondContact O-N 2.79Å; Q339-R428 VanDerWaalsContact C-NH2 3.3Å; Q339-R428 VanDerWaalsContact CA-NH2 3.29Å; Q339-R428 VanDerWaalsContact O-CZ 3.3Å; Q339-R428 PolarHBondContact O-NH1 3.01Å; Q339-R428 PolarHBondContact O-NH2 2.7Å
340I82.5Confident81.1Confident0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-76.7134175.2-59.9175.2000109.7F330 P337 F343 W370 P391 C417 F419 R428F330-I340 HydrophobicContact CD1-CD1 4.46Å; F330-I340 HydrophobicContact CE1-CD1 3.87Å; F330-I340 HydrophobicContact CE1-CG1 3.74Å; F330-I340 HydrophobicContact CZ-CG1 4.44Å; P337-I340 WeakPolarHBondContact O-CB 2.77Å; P337-I340 WeakPolarHBondContact O-CG1 3.29Å; P337-I340 PolarHBondContact O-N 2.92Å; I340-F343 HydrophobicContact CB-CE2 4.47Å; I340-F343 HydrophobicContact CD1-CE1 4.45Å; I340-F343 HydrophobicContact CD1-CE2 4.32Å; I340-F343 HydrophobicContact CD1-CZ 3.68Å; I340-F343 HydrophobicContact CG2-CD2 3.97Å; I340-F343 HydrophobicContact CG2-CE1 4.43Å; I340-F343 HydrophobicContact CG2-CE2 3.5Å; I340-F343 VanDerWaalsContact CG2-CE2 3.5Å; I340-F343 HydrophobicContact CG2-CZ 3.77Å; I340-W370 HydrophobicContact CD1-CH2 3.89Å; I340-W370 HydrophobicContact CD1-CZ3 3.61Å; I340-P391 HydrophobicContact CB-CB 4.43Å; I340-P391 HydrophobicContact CB-CG 3.89Å; I340-P391 HydrophobicContact CG2-CB 3.76Å; I340-P391 HydrophobicContact CG2-CG 3.68Å; I340-C417 WeakPolarHBondContact CG2-SG 3.4Å; I340-F419 HydrophobicContact CG1-CB 4.37Å; I340-R428 PolarHBondContact O-NH1 3.06Å
341V74.8Confident80.3Confident7 Ų746.4 Ų46.44%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-106.8-42.1-178.7-178.20000110.4I257 T392 V418 F420I257-V341 HydrophobicContact CG2-CG1 4.2Å; V341-T392 PolarHBondContact O-N 2.89Å; V341-T392 VanDerWaalsContact O-N 3.16Å; V341-T392 PolarHBondContact O-OG1 2.84Å; V341-V418 PolarHBondContact N-O 3.5Å; V341-F420 HydrophobicContact CG2-CB 3.88Å
342Q79.1Confident79.7Confident6 Ų644.8 Ų44.83%0.02822%0.215CC..EExtended strand (participates in β ladder)trans-149.4141.4-176.1-178.2166.817.800111.9T253 I257 I344 T392 C417 V418T253-Q342 VanDerWaalsContact CG2-CD 3.42Å; T253-Q342 VanDerWaalsContact CG2-NE2 3.3Å; I257-Q342 HydrophobicContact CD1-CB 4.33Å; Q342-I344 HydrophobicContact CG-CG1 4.46Å; Q342-T392 CarbonylContact C-O 3.55Å; Q342-T392 VanDerWaalsContact CA-O 3.26Å; Q342-T392 WeakPolarHBondContact CA-O 3.17Å; Q342-T392 VanDerWaalsContact CB-OG1 3.31Å; Q342-T392 WeakPolarHBondContact CB-OG1 3.22Å; Q342-T392 VanDerWaalsContact CG-OG1 3.3Å; Q342-T392 WeakPolarHBondContact CG-OG1 3.34Å; Q342-C417 CarbonylContact O-C 3.57Å; Q342-C417 WeakPolarHBondContact O-CA 3.19Å; Q342-V418 HydrophobicContact CB-CB 4.24Å; Q342-V418 PolarHBondContact N-O 3.38Å; Q342-V418 VanDerWaalsContact N-O 3.08Å; Q342-V418 PolarHBondContact O-N 3.38Å
343F81.5Confident79.1Confident0 Ų042.5 Ų42.50%021%0.209CC..EExtended strand (participates in β ladder)trans-103.2145.1164.6-72.8-82.8000110.6F323 M326 I340 V345 Y363 L367 P391 T392 R393 V394 L415 F416 C417F323-F343 HydrophobicContact CE1-CZ 4.32Å; F323-F343 HydrophobicContact CZ-CZ 4.47Å; M326-F343 HydrophobicContact CE-CE1 3.72Å; M326-F343 HydrophobicContact CE-CZ 4.08Å; M326-F343 HydrophobicContact SD-CE1 3.78Å; M326-F343 HydrophobicContact SD-CZ 4.45Å; I340-F343 HydrophobicContact CB-CE2 4.47Å; I340-F343 HydrophobicContact CD1-CE1 4.45Å; I340-F343 HydrophobicContact CD1-CE2 4.32Å; I340-F343 HydrophobicContact CD1-CZ 3.68Å; I340-F343 HydrophobicContact CG2-CD2 3.97Å; I340-F343 HydrophobicContact CG2-CE1 4.43Å; I340-F343 HydrophobicContact CG2-CE2 3.5Å; I340-F343 VanDerWaalsContact CG2-CE2 3.5Å; I340-F343 HydrophobicContact CG2-CZ 3.77Å; F343-V345 HydrophobicContact CB-CG2 4.41Å; F343-Y363 HydrophobicContact CB-CE2 4.36Å; F343-Y363 HydrophobicContact CD1-CE2 4.46Å; F343-Y363 AromaticContact CD2-CE2 3.98Å; F343-Y363 HydrophobicContact CD2-CE2 3.98Å; F343-Y363 AromaticContact CD2-CZ 3.91Å; F343-Y363 WeakPolarHBondContact CD2-OH 3.18Å; F343-Y363 HydrophobicContact CE2-CE2 4.32Å; F343-Y363 WeakPolarHBondContact CE2-OH 3.18Å; F343-Y363 HydrophobicContact CG-CE2 4.02Å; F343-L367 HydrophobicContact CE2-CD1 4.49Å; F343-P391 HydrophobicContact CD2-CB 3.98Å; F343-P391 HydrophobicContact CD2-CG 4.37Å; F343-P391 HydrophobicContact CE2-CB 4.05Å; F343-P391 HydrophobicContact CE2-CG 3.94Å; F343-T392 PolarHBondContact N-O 2.91Å; F343-R393 HydrophobicContact CB-CB 4.31Å; F343-R393 HydrophobicContact CB-CG 4Å; F343-R393 CarbonylContact O-C 3.54Å; F343-R393 VanDerWaalsContact O-CA 3.3Å; F343-R393 WeakPolarHBondContact O-CA 3.16Å; F343-V394 PolarHBondContact O-N 2.73Å; F343-L415 HydrophobicContact CD1-CD1 3.76Å; F343-L415 HydrophobicContact CD1-CD2 4.48Å; F343-L415 HydrophobicContact CD1-CG 4.21Å; F343-L415 HydrophobicContact CE1-CD1 4.38Å; F343-L415 HydrophobicContact CE1-CD2 4.31Å; F343-L415 HydrophobicContact CE1-CG 4.48Å; F343-F416 WeakPolarHBondContact CA-O 3.26Å; F343-C417 HydrophobicContact CD1-CB 3.86Å; F343-C417 HydrophobicContact CE1-CB 3.78Å
344I79.1Confident78.9Confident2 Ų246.8 Ų46.81%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-124.7122.8161.1-52.6-170.4000106.6T253 Q342 V394 I396 F416T253-I344 HydrophobicContact CG2-CD1 4.46Å; Q342-I344 HydrophobicContact CG-CG1 4.46Å; I344-V394 CarbonylContact C-O 3.56Å; I344-V394 WeakPolarHBondContact CA-O 3.29Å; I344-V394 HydrophobicContact CG1-CB 4.26Å; I344-V394 HydrophobicContact CG2-CB 4.22Å; I344-V394 HydrophobicContact CG2-CG1 4.39Å; I344-I396 HydrophobicContact CG2-CD1 3.96Å; I344-F416 HydrophobicContact CB-CD1 3.76Å; I344-F416 HydrophobicContact CB-CD2 3.87Å; I344-F416 HydrophobicContact CB-CE1 3.26Å; I344-F416 HydrophobicContact CB-CE2 3.39Å; I344-F416 HydrophobicContact CB-CG 4.08Å; I344-F416 HydrophobicContact CB-CZ 3.09Å; I344-F416 HydrophobicContact CD1-CE1 4.45Å; I344-F416 HydrophobicContact CD1-CE2 3.44Å; I344-F416 VanDerWaalsContact CD1-CE2 3.44Å; I344-F416 HydrophobicContact CD1-CZ 3.42Å; I344-F416 VanDerWaalsContact CD1-CZ 3.42Å; I344-F416 HydrophobicContact CG1-CD2 4.28Å; I344-F416 HydrophobicContact CG1-CE1 4.31Å; I344-F416 HydrophobicContact CG1-CE2 3.59Å; I344-F416 HydrophobicContact CG1-CZ 3.64Å; I344-F416 HydrophobicContact CG2-CD1 4.03Å; I344-F416 HydrophobicContact CG2-CE1 3.14Å; I344-F416 HydrophobicContact CG2-CE2 4.04Å; I344-F416 HydrophobicContact CG2-CZ 3.19Å; I344-F416 PolarHBondContact N-O 2.88Å; I344-F416 WeakPolarHBondContact O-CD1 3.4Å; I344-F416 PolarHBondContact O-N 2.89Å; I344-F416 VanDerWaalsContact O-O 3.06Å
345V81.4Confident78.7Confident4 Ų439 Ų392%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-112.1135.7-174.6-173.30000107.9F343 L347 F359 R393 V394 C395 I396 L415F343-V345 HydrophobicContact CB-CG2 4.41Å; V345-L347 HydrophobicContact CG1-CD2 4Å; V345-L347 HydrophobicContact CG1-CG 4.36Å; V345-F359 HydrophobicContact CB-CE2 4.5Å; V345-F359 HydrophobicContact CB-CZ 4.09Å; V345-F359 HydrophobicContact CG1-CD2 4.42Å; V345-F359 HydrophobicContact CG1-CE1 4.45Å; V345-F359 HydrophobicContact CG1-CE2 3.59Å; V345-F359 HydrophobicContact CG1-CZ 3.62Å; V345-F359 HydrophobicContact CG2-CE2 4.36Å; V345-F359 HydrophobicContact CG2-CZ 3.82Å; V345-R393 HydrophobicContact CG2-CG 3.85Å; V345-V394 PolarHBondContact N-O 3.37Å; V345-C395 CarbonylContact O-C 3.57Å; V345-I396 PolarHBondContact O-N 3.4Å; V345-L415 HydrophobicContact CB-CD1 4.39Å; V345-L415 HydrophobicContact CG1-CD1 4.47Å; V345-L415 HydrophobicContact CG2-CD1 3.51Å
346V81.1Confident78.6Confident40 Ų4041.7 Ų41.724%0.24221%0.207CC..EExtended strand (participates in β ladder)trans-120.4114.8173.5-173.10000108.9I396 V398 A414 F416V346-I396 CarbonylContact C-O 3.59Å; V346-I396 VanDerWaalsContact CA-O 3.29Å; V346-I396 WeakPolarHBondContact CA-O 2.97Å; V346-V398 HydrophobicContact CG1-CG2 3.78Å; V346-A414 HydrophobicContact CB-CB 4.34Å; V346-A414 PolarHBondContact N-O 3.07Å; V346-A414 PolarHBondContact O-N 2.88Å; V346-A414 VanDerWaalsContact O-N 3.08Å; V346-F416 HydrophobicContact CG2-CE1 4.43Å
347L81.4Confident78.4Confident2 Ų239 Ų391%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-97.8128.4172.3-55.1-179.9000108.5V345 Q349 V355 F359 I396 C397 V398 Y413V345-L347 HydrophobicContact CG1-CD2 4Å; V345-L347 HydrophobicContact CG1-CG 4.36Å; L347-Q349 PolarHBondContact O-N 3.34Å; L347-V355 HydrophobicContact CD1-CG1 4.09Å; L347-F359 HydrophobicContact CD1-CB 4.39Å; L347-F359 HydrophobicContact CD1-CD1 4.31Å; L347-F359 HydrophobicContact CD1-CG 4.21Å; L347-F359 HydrophobicContact CD2-CD2 4.03Å; L347-F359 HydrophobicContact CD2-CG 4.24Å; L347-I396 PolarHBondContact N-O 2.72Å; L347-C397 CarbonylContact O-C 3.58Å; L347-C397 WeakPolarHBondContact O-CA 3.3Å; L347-V398 PolarHBondContact O-N 3.18Å; L347-Y413 HydrophobicContact CD2-CD1 3.86Å; L347-Y413 HydrophobicContact CD2-CE1 4.37Å
348S76Confident78.6Confident15 Ų1540.1 Ų40.111%0.10521%0.212CC..SBendtrans-78.3-6.4175550000113.7V398 C412S348-V398 CarbonylContact C-O 3.31Å; S348-V398 VanDerWaalsContact C-O 3.31Å; S348-C412 WeakPolarHBondContact CB-O 3.37Å; S348-C412 PolarHBondContact OG-O 3.46Å
349Q73.1Confident78.8Confident25 Ų2537 Ų3712%0.11720%0.197CC..SBendtrans-89.5152.9176.3-64.9-47.8-60.500111.1I315 L347 L351 V355 C397 M411 Y413I315-Q349 HydrophobicContact CD1-CG 4.35Å; L347-Q349 PolarHBondContact O-N 3.34Å; Q349-L351 PolarHBondContact O-N 2.9Å; Q349-V355 HydrophobicContact CB-CG1 4.15Å; Q349-V355 HydrophobicContact CB-CG2 4.2Å; Q349-C397 WeakPolarHBondContact O-CB 3.08Å; Q349-M411 HydrophobicContact CG-SD 4.31Å; Q349-M411 PolarHBondContact NE2-SD 3.02Å; Q349-Y413 HydrophobicContact CG-CE1 4.4Å
350R74.5Confident79Confident185 Ų18538.1 Ų38.170%0.69820%0.204SC*.  trans-60.9135.4165-178.9175.6178.3173.10.5108.3S352 N399R350-S352 PolarHBondContact O-N 3.03Å; R350-N399 WeakPolarHBondContact CB-OD1 3.37Å
351L72.4Confident79.1Confident49 Ų4944.1 Ų44.126%0.25723%0.232SC..  trans-61113.2174.7-168.367.2000109.6Q349 F356 C397Q349-L351 PolarHBondContact O-N 2.9Å; L351-F356 HydrophobicContact CD1-CB 3.76Å; L351-F356 HydrophobicContact CD1-CD2 3.72Å; L351-F356 HydrophobicContact CD1-CG 4.05Å; L351-C397 HydrophobicContact CB-CB 4.06Å; L351-C397 VanDerWaalsContact CD1-SG 3.58Å
352S74.6Confident79.6Confident36 Ų3643.8 Ų43.825%0.25223%0.23SC..  trans-123.6160167.877.30000109.2R350 D354 V355 F356R350-S352 PolarHBondContact O-N 3.03Å; S352-D354 PolarHBondContact O-N 3.4Å; S352-V355 PolarHBondContact O-N 2.9Å; S352-V355 WeakPolarHBondContact OG-CB 3.15Å; S352-V355 WeakPolarHBondContact OG-CG2 3.49Å; S352-V355 PolarHBondContact OG-N 3.22Å; S352-V355 VanDerWaalsContact OG-N 3.13Å; S352-F356 WeakPolarHBondContact O-CB 3.47Å; S352-F356 PolarHBondContact O-N 3.01Å
353P73.5Confident80Confident98 Ų9843.7 Ų43.764%0.63623%0.23SC*.Hα-helixtrans-52.8-43.2175.1-27.936.3000112.6F356 S357P353-F356 PolarHBondContact O-N 2.9Å; P353-S357 WeakPolarHBondContact O-CB 3.32Å; P353-S357 PolarHBondContact O-N 3.47Å; P353-S357 PolarHBondContact O-OG 2.87Å
354D80.3Confident80Confident122 Ų12245.6 Ų45.665%0.65224%0.241SC*.Hα-helixtrans-68.4-41.9-179.6-52.5-43.6000112.6S352 S357 S358S352-D354 PolarHBondContact O-N 3.4Å; D354-S357 WeakPolarHBondContact CA-OG 3.38Å; D354-S357 PolarHBondContact O-OG 2.85Å; D354-S357 VanDerWaalsContact O-OG 3.08Å; D354-S358 WeakPolarHBondContact O-CB 3.4Å; D354-S358 PolarHBondContact O-N 3.38Å
355V80.5Confident80.2Confident4 Ų446.7 Ų46.72%0.02425%0.253CS..Hα-helixtrans-60.8-49.2175.8161.40000109.9V312 I315 L347 Q349 S352 F359V312-V355 HydrophobicContact CG1-CG2 3.57Å; I315-V355 HydrophobicContact CD1-CB 3.79Å; I315-V355 HydrophobicContact CD1-CG1 3.66Å; I315-V355 HydrophobicContact CD1-CG2 3.6Å; L347-V355 HydrophobicContact CD1-CG1 4.09Å; Q349-V355 HydrophobicContact CB-CG1 4.15Å; Q349-V355 HydrophobicContact CB-CG2 4.2Å; S352-V355 PolarHBondContact O-N 2.9Å; S352-V355 WeakPolarHBondContact OG-CB 3.15Å; S352-V355 WeakPolarHBondContact OG-CG2 3.49Å; S352-V355 PolarHBondContact OG-N 3.22Å; S352-V355 VanDerWaalsContact OG-N 3.13Å; V355-F359 VanDerWaalsContact O-CB 3.27Å; V355-F359 WeakPolarHBondContact O-CB 3.28Å; V355-F359 PolarHBondContact O-N 2.82Å; V355-F359 VanDerWaalsContact O-N 3.07Å
356F79.3Confident80.6Confident61 Ų6147 Ų4727%0.26825%0.254SS..Hα-helixtrans-72.2-39.9-176.2-172.3-105.6000112.2L351 S352 P353 F359 N360L351-F356 HydrophobicContact CD1-CB 3.76Å; L351-F356 HydrophobicContact CD1-CD2 3.72Å; L351-F356 HydrophobicContact CD1-CG 4.05Å; S352-F356 WeakPolarHBondContact O-CB 3.47Å; S352-F356 PolarHBondContact O-N 3.01Å; P353-F356 PolarHBondContact O-N 2.9Å; F356-F359 HydrophobicContact CD2-CD1 4.31Å; F356-F359 HydrophobicContact CE2-CD1 4.43Å; F356-N360 HydrophobicContact CE1-CB 4.48Å; F356-N360 WeakPolarHBondContact O-CB 3.43Å; F356-N360 PolarHBondContact O-N 2.67Å
357S80.7Confident80.7Confident65 Ų6545 Ų4546%0.45524%0.242SC..Hα-helixtrans-64.2-49.2178.663.10000111.1P353 D354 F359 N360 E361P353-S357 WeakPolarHBondContact O-CB 3.32Å; P353-S357 PolarHBondContact O-N 3.47Å; P353-S357 PolarHBondContact O-OG 2.87Å; D354-S357 WeakPolarHBondContact CA-OG 3.38Å; D354-S357 PolarHBondContact O-OG 2.85Å; D354-S357 VanDerWaalsContact O-OG 3.08Å; S357-F359 PolarHBondContact O-N 3.39Å; S357-N360 PolarHBondContact O-N 3.05Å; S357-E361 WeakPolarHBondContact O-CB 2.95Å; S357-E361 PolarHBondContact O-N 3.09Å
358S85.4Confident80.7Confident24 Ų2447.1 Ų47.117%0.16825%0.253CS..Hα-helixtrans-58.4-49.2176.9177.90000111.7Y316 D354 N360 E361 A362Y316-S358 PolarHBondContact N-OG 2.86Å; D354-S358 WeakPolarHBondContact O-CB 3.4Å; D354-S358 PolarHBondContact O-N 3.38Å; S358-N360 PolarHBondContact O-N 3.41Å; S358-E361 PolarHBondContact O-N 2.9Å; S358-A362 PolarHBondContact O-N 2.85Å; S358-A362 VanDerWaalsContact O-N 3.09Å
359F84.1Confident81.1Confident2 Ų251.2 Ų51.21%0.00927%0.267CS..Hα-helixtrans-58.5-47.4174.2160.7-106000111.9I315 T319 V345 L347 V355 F356 S357 E361 A362 Y363I315-F359 HydrophobicContact CG2-CB 3.63Å; T319-F359 HydrophobicContact CG2-CD2 3.97Å; T319-F359 HydrophobicContact CG2-CE2 4.06Å; V345-F359 HydrophobicContact CB-CE2 4.5Å; V345-F359 HydrophobicContact CB-CZ 4.09Å; V345-F359 HydrophobicContact CG1-CD2 4.42Å; V345-F359 HydrophobicContact CG1-CE1 4.45Å; V345-F359 HydrophobicContact CG1-CE2 3.59Å; V345-F359 HydrophobicContact CG1-CZ 3.62Å; V345-F359 HydrophobicContact CG2-CE2 4.36Å; V345-F359 HydrophobicContact CG2-CZ 3.82Å; L347-F359 HydrophobicContact CD1-CB 4.39Å; L347-F359 HydrophobicContact CD1-CD1 4.31Å; L347-F359 HydrophobicContact CD1-CG 4.21Å; L347-F359 HydrophobicContact CD2-CD2 4.03Å; L347-F359 HydrophobicContact CD2-CG 4.24Å; V355-F359 VanDerWaalsContact O-CB 3.27Å; V355-F359 WeakPolarHBondContact O-CB 3.28Å; V355-F359 PolarHBondContact O-N 2.82Å; V355-F359 VanDerWaalsContact O-N 3.07Å; F356-F359 HydrophobicContact CD2-CD1 4.31Å; F356-F359 HydrophobicContact CE2-CD1 4.43Å; S357-F359 PolarHBondContact O-N 3.39Å; F359-E361 PolarHBondContact O-N 3.2Å; F359-A362 PolarHBondContact O-N 2.84Å; F359-Y363 HydrophobicContact CE2-CD2 4.27Å; F359-Y363 AromaticContact CZ-CD2 3.95Å; F359-Y363 HydrophobicContact CZ-CD2 3.95Å; F359-Y363 HydrophobicContact CZ-CG 4.16Å; F359-Y363 VanDerWaalsContact O-CB 3.25Å; F359-Y363 WeakPolarHBondContact O-CB 3.37Å; F359-Y363 PolarHBondContact O-N 2.74Å
360N83.2Confident81.7Confident54 Ų5450.9 Ų50.929%0.28926%0.264SS..Hα-helixtrans-69.2-36.3-173.9-17068.4000111.9F356 S357 S358 T364 R393F356-N360 HydrophobicContact CE1-CB 4.48Å; F356-N360 WeakPolarHBondContact O-CB 3.43Å; F356-N360 PolarHBondContact O-N 2.67Å; S357-N360 PolarHBondContact O-N 3.05Å; S358-N360 PolarHBondContact O-N 3.41Å; N360-T364 WeakPolarHBondContact O-CB 3.36Å; N360-T364 PolarHBondContact O-N 2.85Å; N360-T364 PolarHBondContact O-OG1 2.7Å; N360-R393 PolarHBondContact OD1-NH1 2.93Å; N360-R393 PolarHBondContact OD1-NH2 3.45Å
361E84.5Confident82Confident126 Ų12642.7 Ų42.759%0.58923%0.234SC*.Hα-helixtrans-60.9-52.2172.4-170.3-179.8173.700110.5Y316 S357 S358 F359 Y363 T364 G365Y316-E361 HydrophobicContact CE2-CB 4.3Å; Y316-E361 HydrophobicContact CE2-CG 4.04Å; S357-E361 WeakPolarHBondContact O-CB 2.95Å; S357-E361 PolarHBondContact O-N 3.09Å; S358-E361 PolarHBondContact O-N 2.9Å; F359-E361 PolarHBondContact O-N 3.2Å; E361-Y363 PolarHBondContact O-N 3.11Å; E361-T364 PolarHBondContact O-N 3.12Å; E361-G365 PolarHBondContact O-N 3.3Å
362A86.4Confident82.3Confident0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-59.1-49.4177.100000112Y316 T319 S358 F359 T364 G365 Q366Y316-A362 HydrophobicContact CD1-CB 4.38Å; Y316-A362 HydrophobicContact CD2-CB 3.61Å; Y316-A362 HydrophobicContact CE2-CB 3.77Å; Y316-A362 HydrophobicContact CG-CB 3.92Å; T319-A362 HydrophobicContact CG2-CB 3.78Å; S358-A362 PolarHBondContact O-N 2.85Å; S358-A362 VanDerWaalsContact O-N 3.09Å; F359-A362 PolarHBondContact O-N 2.84Å; A362-T364 PolarHBondContact O-N 2.89Å; A362-G365 PolarHBondContact O-N 3.42Å; A362-Q366 VanDerWaalsContact O-CB 3.23Å; A362-Q366 WeakPolarHBondContact O-CB 3.13Å; A362-Q366 WeakPolarHBondContact O-CG 3.13Å; A362-Q366 PolarHBondContact O-N 2.99Å
363Y86.1Confident82.5Confident4 Ų449.4 Ų49.42%0.01626%0.26CS..Hα-helixtrans-57.1-50.8178.9172.9-83.8000111.7F323 F343 F359 E361 Q366 L367 M390F323-Y363 AromaticContact CE2-CD2 3.63Å; F323-Y363 HydrophobicContact CE2-CD2 3.63Å; F323-Y363 HydrophobicContact CE2-CE2 4.29Å; F323-Y363 HydrophobicContact CE2-CG 4.25Å; F323-Y363 AromaticContact CZ-CD2 3.55Å; F323-Y363 HydrophobicContact CZ-CD2 3.55Å; F323-Y363 AromaticContact CZ-CE2 3.8Å; F323-Y363 HydrophobicContact CZ-CE2 3.8Å; F323-Y363 HydrophobicContact CZ-CG 4.21Å; F343-Y363 HydrophobicContact CB-CE2 4.36Å; F343-Y363 HydrophobicContact CD1-CE2 4.46Å; F343-Y363 AromaticContact CD2-CE2 3.98Å; F343-Y363 HydrophobicContact CD2-CE2 3.98Å; F343-Y363 AromaticContact CD2-CZ 3.91Å; F343-Y363 WeakPolarHBondContact CD2-OH 3.18Å; F343-Y363 HydrophobicContact CE2-CE2 4.32Å; F343-Y363 WeakPolarHBondContact CE2-OH 3.18Å; F343-Y363 HydrophobicContact CG-CE2 4.02Å; F359-Y363 HydrophobicContact CE2-CD2 4.27Å; F359-Y363 AromaticContact CZ-CD2 3.95Å; F359-Y363 HydrophobicContact CZ-CD2 3.95Å; F359-Y363 HydrophobicContact CZ-CG 4.16Å; F359-Y363 VanDerWaalsContact O-CB 3.25Å; F359-Y363 WeakPolarHBondContact O-CB 3.37Å; F359-Y363 PolarHBondContact O-N 2.74Å; E361-Y363 PolarHBondContact O-N 3.11Å; Y363-Q366 PolarHBondContact O-N 2.89Å; Y363-L367 HydrophobicContact CE1-CD2 4.11Å; Y363-L367 WeakPolarHBondContact O-CB 3.41Å; Y363-L367 PolarHBondContact O-N 3.01Å; Y363-M390 HydrophobicContact CE1-SD 4.44Å
364T82.7Confident82.4Confident39 Ų3946.1 Ų46.124%0.23924%0.238CC..Hα-helixtrans-67.4-44.2-176.1-54.60000109.9N360 E361 A362 Q366 L367 N368 M390N360-T364 WeakPolarHBondContact O-CB 3.36Å; N360-T364 PolarHBondContact O-N 2.85Å; N360-T364 PolarHBondContact O-OG1 2.7Å; E361-T364 PolarHBondContact O-N 3.12Å; A362-T364 PolarHBondContact O-N 2.89Å; T364-Q366 PolarHBondContact O-N 3.46Å; T364-L367 PolarHBondContact O-N 3.23Å; T364-N368 VanDerWaalsContact O-CB 3.29Å; T364-N368 WeakPolarHBondContact O-CB 3.22Å; T364-N368 VanDerWaalsContact O-CG 3.27Å; T364-N368 PolarHBondContact O-N 3.47Å; T364-N368 PolarHBondContact O-ND2 3.33Å; T364-M390 HydrophobicContact CG2-CE 3.79Å
365G84.1Confident81.6Confident25 Ų2543.5 Ų43.526%0.25822%0.222SC..Hα-helixtrans-63.8-38.5176.700000113.2E361 A362 R369E361-G365 PolarHBondContact O-N 3.3Å; A362-G365 PolarHBondContact O-N 3.42Å; G365-R369 WeakPolarHBondContact O-CB 3.16Å; G365-R369 VanDerWaalsContact O-CG 3.26Å; G365-R369 WeakPolarHBondContact O-CG 3.33Å; G365-R369 PolarHBondContact O-N 2.78Å; G365-R369 PolarHBondContact O-NE 3.22Å
366Q88Confident80.4Confident10 Ų1048.7 Ų48.75%0.04725%0.249CC..Hα-helixtrans-69.6-41.8177.5-79.1-68-20.400112.6E320 F323 K327 A362 Y363 T364 W370E320-Q366 VanDerWaalsContact CD-NE2 3.27Å; E320-Q366 HydrophobicContact CG-CG 4.09Å; E320-Q366 VanDerWaalsContact CG-NE2 3.33Å; E320-Q366 PolarHBondContact OE1-NE2 3.48Å; F323-Q366 HydrophobicContact CB-CB 4.13Å; F323-Q366 HydrophobicContact CB-CG 4.08Å; F323-Q366 HydrophobicContact CD1-CB 3.84Å; F323-Q366 HydrophobicContact CD2-CB 3.95Å; F323-Q366 HydrophobicContact CD2-CG 4.26Å; F323-Q366 HydrophobicContact CE1-CB 4.18Å; F323-Q366 HydrophobicContact CE2-CB 4.29Å; F323-Q366 HydrophobicContact CG-CB 3.7Å; F323-Q366 HydrophobicContact CG-CG 4.1Å; F323-Q366 HydrophobicContact CZ-CB 4.39Å; K327-Q366 PolarHBondContact NZ-O 2.79Å; A362-Q366 VanDerWaalsContact O-CB 3.23Å; A362-Q366 WeakPolarHBondContact O-CB 3.13Å; A362-Q366 WeakPolarHBondContact O-CG 3.13Å; A362-Q366 PolarHBondContact O-N 2.99Å; Y363-Q366 PolarHBondContact O-N 2.89Å; T364-Q366 PolarHBondContact O-N 3.46Å; Q366-W370 WeakPolarHBondContact O-CB 3.13Å; Q366-W370 PolarHBondContact O-N 3.4Å; Q366-W370 VanDerWaalsContact O-N 3.16Å
367L84Confident79.1Confident0 Ų052.5 Ų52.50%027%0.272CS..Hα-helixtrans-72.1-43.8180-176.663000111.8F323 F343 Y363 T364 W370 L371 M390F323-L367 HydrophobicContact CE1-CB 4.48Å; F343-L367 HydrophobicContact CE2-CD1 4.49Å; Y363-L367 HydrophobicContact CE1-CD2 4.11Å; Y363-L367 WeakPolarHBondContact O-CB 3.41Å; Y363-L367 PolarHBondContact O-N 3.01Å; T364-L367 PolarHBondContact O-N 3.23Å; L367-W370 WeakPolarHBondContact O-CB 3.4Å; L367-W370 PolarHBondContact O-N 2.86Å; L367-L371 HydrophobicContact CD1-CD1 4.49Å; L367-L371 HydrophobicContact CG-CD1 4.16Å; L367-L371 WeakPolarHBondContact O-CG 3.05Å; L367-L371 PolarHBondContact O-N 3.37Å; L367-M390 HydrophobicContact CB-CE 4.24Å; L367-M390 HydrophobicContact CD2-CE 3.71Å; L367-M390 HydrophobicContact CD2-CG 4.33Å; L367-M390 HydrophobicContact CD2-SD 3.94Å; L367-M390 HydrophobicContact CG-CE 4.17Å
368N81.5Confident77.7Confident46 Ų4651.8 Ų51.825%0.24627%0.267CS..Hα-helixtrans-62-48.4177.2-75.3-16.6000111.6T364 W370 L371 E372 M390T364-N368 VanDerWaalsContact O-CB 3.29Å; T364-N368 WeakPolarHBondContact O-CB 3.22Å; T364-N368 VanDerWaalsContact O-CG 3.27Å; T364-N368 PolarHBondContact O-N 3.47Å; T364-N368 PolarHBondContact O-ND2 3.33Å; N368-W370 PolarHBondContact O-N 2.89Å; N368-L371 PolarHBondContact O-N 2.92Å; N368-L371 VanDerWaalsContact O-N 3.13Å; N368-E372 WeakPolarHBondContact O-CG 3.42Å; N368-E372 PolarHBondContact O-N 3.24Å; N368-M390 WeakPolarHBondContact OD1-CE 3.37Å
369R85.2Confident76Confident101 Ų10156.3 Ų56.338%0.38129%0.288SS..Hα-helixtrans-55.1-42.9174.5-78.5-176.2-74172-12.5111.8E320 G365 E372 E373E320-R369 IonicContact OE1-CZ 3.77Å; E320-R369 IonicContact OE1-NH1 3.89Å; E320-R369 IonicContact OE1-NH2 2.75Å; E320-R369 PolarHBondContact OE1-NH2 3.07Å; G365-R369 WeakPolarHBondContact O-CB 3.16Å; G365-R369 VanDerWaalsContact O-CG 3.26Å; G365-R369 WeakPolarHBondContact O-CG 3.33Å; G365-R369 PolarHBondContact O-N 2.78Å; G365-R369 PolarHBondContact O-NE 3.22Å; R369-E372 PolarHBondContact O-N 3.32Å; R369-E373 WeakPolarHBondContact O-CB 3.49Å; R369-E373 WeakPolarHBondContact O-CG 3.48Å; R369-E373 PolarHBondContact O-N 2.88Å
370W85.7Confident74.2Confident18 Ų1864.6 Ų64.67%0.06833%0.332CS..Hα-helixtrans-65.7-40179.1-165.58.3000112.8M326 K327 F330 P337 I340 Q366 L367 N368 V374M326-W370 HydrophobicContact CE-CH2 4.39Å; M326-W370 HydrophobicContact CE-CZ3 3.69Å; K327-W370 HydrophobicContact CD-CD2 4.25Å; K327-W370 HydrophobicContact CD-CG 4.34Å; K327-W370 HydrophobicContact CG-CD2 3.78Å; K327-W370 HydrophobicContact CG-CE3 3.9Å; K327-W370 HydrophobicContact CG-CG 4.34Å; K327-W370 HydrophobicContact CG-CH2 4.17Å; K327-W370 HydrophobicContact CG-CZ2 4.07Å; K327-W370 HydrophobicContact CG-CZ3 4.09Å; F330-W370 HydrophobicContact CB-CH2 3.95Å; F330-W370 HydrophobicContact CB-CZ2 3.78Å; F330-W370 AromaticContact CD1-CH2 3.58Å; F330-W370 HydrophobicContact CD1-CH2 3.58Å; F330-W370 AromaticContact CD1-CZ2 3.99Å; F330-W370 HydrophobicContact CD1-CZ2 3.99Å; F330-W370 HydrophobicContact CE1-CH2 4.26Å; F330-W370 AromaticContact CG-CH2 3.83Å; F330-W370 HydrophobicContact CG-CH2 3.83Å; F330-W370 HydrophobicContact CG-CZ2 4.15Å; P337-W370 HydrophobicContact CB-CD2 3.65Å; P337-W370 HydrophobicContact CB-CE3 3.91Å; P337-W370 HydrophobicContact CB-CG 3.98Å; P337-W370 HydrophobicContact CB-CZ2 4.3Å; P337-W370 HydrophobicContact CB-CZ3 4.34Å; P337-W370 HydrophobicContact CG-CD2 4.03Å; P337-W370 HydrophobicContact CG-CG 3.94Å; I340-W370 HydrophobicContact CD1-CH2 3.89Å; I340-W370 HydrophobicContact CD1-CZ3 3.61Å; Q366-W370 WeakPolarHBondContact O-CB 3.13Å; Q366-W370 PolarHBondContact O-N 3.4Å; Q366-W370 VanDerWaalsContact O-N 3.16Å; L367-W370 WeakPolarHBondContact O-CB 3.4Å; L367-W370 PolarHBondContact O-N 2.86Å; N368-W370 PolarHBondContact O-N 2.89Å; W370-V374 WeakPolarHBondContact O-CG2 3.46Å; W370-V374 PolarHBondContact O-N 2.92Å
371L80.1Confident72.1Confident13 Ų1364.6 Ų64.67%0.06834%0.336CS..Hα-helixtrans-65.6-44176.1-73.5166.5000111.2P337 Q338 L367 N368 V374 E375P337-L371 HydrophobicContact CB-CD2 3.92Å; P337-L371 HydrophobicContact CB-CG 4.41Å; P337-L371 HydrophobicContact CG-CD2 3.96Å; Q338-L371 HydrophobicContact CG-CD2 4.01Å; L367-L371 HydrophobicContact CD1-CD1 4.49Å; L367-L371 HydrophobicContact CG-CD1 4.16Å; L367-L371 WeakPolarHBondContact O-CG 3.05Å; L367-L371 PolarHBondContact O-N 3.37Å; N368-L371 PolarHBondContact O-N 2.92Å; N368-L371 VanDerWaalsContact O-N 3.13Å; L371-V374 PolarHBondContact O-N 3.38Å; L371-E375 PolarHBondContact O-N 3.24Å
372E78.3Confident69.7Low118 Ų11868.9 Ų68.955%0.55135%0.353SS*.Hα-helixtrans-62.3-44.6177.6-72.4172.6-173.500112.2N368 R369 V374 E375 I376N368-E372 WeakPolarHBondContact O-CG 3.42Å; N368-E372 PolarHBondContact O-N 3.24Å; R369-E372 PolarHBondContact O-N 3.32Å; E372-V374 VanDerWaalsContact C-N 3.29Å; E372-V374 PolarHBondContact O-N 2.99Å; E372-E375 PolarHBondContact O-N 2.66Å; E372-I376 VanDerWaalsContact O-CG1 3.28Å; E372-I376 WeakPolarHBondContact O-CG1 3.5Å; E372-I376 PolarHBondContact O-N 3.23Å
373E79.1Confident67.3Low108 Ų10873.5 Ų73.551%0.50538%0.381SS..Hα-helixtrans-55.4-43.8176.2-76.5163.6-169.700111.7R369R369-E373 WeakPolarHBondContact O-CB 3.49Å; R369-E373 WeakPolarHBondContact O-CG 3.48Å; R369-E373 PolarHBondContact O-N 2.88Å
374V71.8Confident65.1Low28 Ų2882.1 Ų82.117%0.1742%0.422CS..Hα-helixtrans-77.8-30.5-179176.50000112.4K336 P337 W370 L371 E372K336-V374 HydrophobicContact CD-CG1 4.29Å; P337-V374 HydrophobicContact CG-CB 4.28Å; P337-V374 HydrophobicContact CG-CG2 3.9Å; W370-V374 WeakPolarHBondContact O-CG2 3.46Å; W370-V374 PolarHBondContact O-N 2.92Å; L371-V374 PolarHBondContact O-N 3.38Å; E372-V374 VanDerWaalsContact C-N 3.29Å; E372-V374 PolarHBondContact O-N 2.99Å
375E62.1Low63Low68 Ų6891 Ų9132%0.31845%0.452SS..Hα-helixtrans-67.4-40.5173.8-81.2-171.5175.100111.6L371 E372 D377 S378 I379L371-E375 PolarHBondContact O-N 3.24Å; E372-E375 PolarHBondContact O-N 2.66Å; E375-D377 VanDerWaalsContact C-N 3.28Å; E375-D377 PolarHBondContact O-N 3.11Å; E375-S378 CarbonylContact O-C 3.59Å; E375-S378 WeakPolarHBondContact O-CA 3.48Å; E375-S378 WeakPolarHBondContact O-CB 3.46Å; E375-S378 PolarHBondContact O-N 3.11Å; E375-S378 PolarHBondContact O-OG 3.04Å; E375-I379 WeakPolarHBondContact O-CG1 3.32Å; E375-I379 PolarHBondContact O-N 3.49Å
376I55.4Low61.2Low113 Ų11394.9 Ų94.958%0.57947%0.466SS*.Hα-helixtrans-57.6-41.2177.9-69.2164.4000111.4E372 S378 I379E372-I376 VanDerWaalsContact O-CG1 3.28Å; E372-I376 WeakPolarHBondContact O-CG1 3.5Å; E372-I376 PolarHBondContact O-N 3.23Å; I376-S378 PolarHBondContact O-N 3.42Å; I376-I379 HydrophobicContact CB-CD1 4.36Å; I376-I379 HydrophobicContact CG1-CD1 4.21Å; I376-I379 PolarHBondContact O-N 3.1Å
377D53.6Low59.3Low141 Ų14197.5 Ų97.575%0.75448%0.481SS*.Hα-helixtrans-63.7-21.6175.3-73.5-19.9000113.1E375E375-D377 VanDerWaalsContact C-N 3.28Å; E375-D377 PolarHBondContact O-N 3.11Å
378S51.3Low57.8Low49 Ų4999.5 Ų99.534%0.34349%0.494SS..Hα-helixtrans-98.1-4.6-177.477.50000115.1E375 I376 N380 S381E375-S378 CarbonylContact O-C 3.59Å; E375-S378 WeakPolarHBondContact O-CA 3.48Å; E375-S378 WeakPolarHBondContact O-CB 3.46Å; E375-S378 PolarHBondContact O-N 3.11Å; E375-S378 PolarHBondContact O-OG 3.04Å; I376-S378 PolarHBondContact O-N 3.42Å; S378-N380 PolarHBondContact O-N 3.39Å; S378-S381 PolarHBondContact O-N 3.08Å; S378-S381 PolarHBondContact O-OG 2.96Å
379I48Very low56.6Low119 Ų119100.2 Ų100.261%0.6149%0.494SS*.THydrogen-bonded Turntrans-59.2-14.1-174.1-73.2175.5000114E375 I376 S381E375-I379 WeakPolarHBondContact O-CG1 3.32Å; E375-I379 PolarHBondContact O-N 3.49Å; I376-I379 HydrophobicContact CB-CD1 4.36Å; I376-I379 HydrophobicContact CG1-CD1 4.21Å; I376-I379 PolarHBondContact O-N 3.1Å; I379-S381 PolarHBondContact O-N 3.23Å; I379-S381 VanDerWaalsContact O-N 3.09Å
380N47Very low55.6Low176 Ų17698.2 Ų98.294%0.94149%0.49SS*.THydrogen-bonded Turntrans-65.7-6.6167.7-78.7-25.4000114.1S378S378-N380 PolarHBondContact O-N 3.39Å
381S39.2Very low55Low54 Ų5497.7 Ų97.738%0.37849%0.489SS..SBendtrans-120.3104.217036.10000110.5S378 I379 T383S378-S381 PolarHBondContact O-N 3.08Å; S378-S381 PolarHBondContact O-OG 2.96Å; I379-S381 PolarHBondContact O-N 3.23Å; I379-S381 VanDerWaalsContact O-N 3.09Å; S381-T383 VanDerWaalsContact C-N 3.34Å; S381-T383 PolarHBondContact O-N 3.07Å; S381-T383 PolarHBondContact O-OG1 3.09Å
382K33.8Very low54.5Low217 Ų21797.6 Ų97.694%0.94349%0.489SS*.  trans-48.895.1167.7-74179.5176.9178.60109.7
383T36.3Very low54.4Low97 Ų9794.1 Ų94.160%0.59547%0.471SS*.  trans-119127.8169.631.10000106.6S381 Y385S381-T383 VanDerWaalsContact C-N 3.34Å; S381-T383 PolarHBondContact O-N 3.07Å; S381-T383 PolarHBondContact O-OG1 3.09Å; T383-Y385 PolarHBondContact O-N 3.05Å
384E39.2Very low54.1Low185 Ų18589 Ų8986%0.86445%0.447SS*.  trans-47.5136.1174.2-74.617213600109.2I386E384-I386 PolarHBondContact O-N 3.49Å
385Y40.3Very low54.3Low224 Ų22488.6 Ų88.688%0.87845%0.445SS*.  trans-33.4104.6175.6-84.2-95.6000110.2T383 D387T383-Y385 PolarHBondContact O-N 3.05Å; Y385-D387 VanDerWaalsContact C-N 3.32Å; Y385-D387 PolarHBondContact O-N 2.76Å
386I45.2Very low54.9Low107 Ų10786.7 Ų86.755%0.54944%0.436SS..  trans-69103.6167.8-63.3174.1000103.1E384 S388E384-I386 PolarHBondContact O-N 3.49Å; I386-S388 PolarHBondContact O-N 2.8Å
387D48.1Very low55.8Low66 Ų6683 Ų8335%0.35342%0.42SS..  trans-44.2112171-89.4-24.9000106.9Y385 Y389Y385-D387 VanDerWaalsContact C-N 3.32Å; Y385-D387 PolarHBondContact O-N 2.76Å; D387-Y389 PolarHBondContact O-N 3.26Å
388S51.8Low56.6Low41 Ų4178.9 Ų78.929%0.28740%0.4SS..  trans-49.8110-16256.80000111L73 I386 M390L73-S388 WeakPolarHBondContact CD1-OG 3.26Å; I386-S388 PolarHBondContact O-N 2.8Å; S388-M390 PolarHBondContact O-N 3.26Å
389Y57.9Low57.1Low62 Ų6281.9 Ų81.924%0.24341%0.413CS..PPolyproline II helixtrans-75.9119.8-176.7174.5-97.6000109.8D387 P391 L430D387-Y389 PolarHBondContact O-N 3.26Å; Y389-P391 HydrophobicContact CE1-CG 4.4Å; Y389-L430 PolarHBondContact OH-O 2.78Å
390M64.1Low57.4Low58 Ų5880.8 Ų80.829%0.28642%0.415SS..PPolyproline II helixtrans-98.3124.4170.7-72.7-128.3148.600109.8Y363 T364 L367 N368 S388Y363-M390 HydrophobicContact CE1-SD 4.44Å; T364-M390 HydrophobicContact CG2-CE 3.79Å; L367-M390 HydrophobicContact CB-CE 4.24Å; L367-M390 HydrophobicContact CD2-CE 3.71Å; L367-M390 HydrophobicContact CD2-CG 4.33Å; L367-M390 HydrophobicContact CD2-SD 3.94Å; L367-M390 HydrophobicContact CG-CE 4.17Å; N368-M390 WeakPolarHBondContact OD1-CE 3.37Å; S388-M390 PolarHBondContact O-N 3.26Å
391P72.1Confident57.5Low8 Ų874.8 Ų74.85%0.05239%0.385CS..PPolyproline II helixtrans-58.9152.2170.7-22.134.7000110.9I340 F343 Y389I340-P391 HydrophobicContact CB-CB 4.43Å; I340-P391 HydrophobicContact CB-CG 3.89Å; I340-P391 HydrophobicContact CG2-CB 3.76Å; I340-P391 HydrophobicContact CG2-CG 3.68Å; F343-P391 HydrophobicContact CD2-CB 3.98Å; F343-P391 HydrophobicContact CD2-CG 4.37Å; F343-P391 HydrophobicContact CE2-CB 4.05Å; F343-P391 HydrophobicContact CE2-CG 3.94Å; Y389-P391 HydrophobicContact CE1-CG 4.4Å
392T70.9Confident57.6Low10 Ų1075.5 Ų75.56%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-64154.2177.4620000110.2V341 Q342 F343 H432V341-T392 PolarHBondContact O-N 2.89Å; V341-T392 VanDerWaalsContact O-N 3.16Å; V341-T392 PolarHBondContact O-OG1 2.84Å; Q342-T392 CarbonylContact C-O 3.55Å; Q342-T392 VanDerWaalsContact CA-O 3.26Å; Q342-T392 WeakPolarHBondContact CA-O 3.17Å; Q342-T392 VanDerWaalsContact CB-OG1 3.31Å; Q342-T392 WeakPolarHBondContact CB-OG1 3.22Å; Q342-T392 VanDerWaalsContact CG-OG1 3.3Å; Q342-T392 WeakPolarHBondContact CG-OG1 3.34Å; F343-T392 PolarHBondContact N-O 2.91Å; T392-H432 WeakPolarHBondContact CB-O 3.39Å; T392-H432 HydrophobicContact CG2-CB 4.32Å; T392-H432 WeakPolarHBondContact CG2-O 3.37Å
393R74.5Confident57.9Low46 Ų4673.3 Ų73.317%0.17438%0.381CS..EExtended strand (participates in β ladder)trans-141.4129.4-177.6-174.8179.768-173.6-1.4111.6F343 V345 N360F343-R393 HydrophobicContact CB-CB 4.31Å; F343-R393 HydrophobicContact CB-CG 4Å; F343-R393 CarbonylContact O-C 3.54Å; F343-R393 VanDerWaalsContact O-CA 3.3Å; F343-R393 WeakPolarHBondContact O-CA 3.16Å; V345-R393 HydrophobicContact CG2-CG 3.85Å; N360-R393 PolarHBondContact OD1-NH1 2.93Å; N360-R393 PolarHBondContact OD1-NH2 3.45Å
394V73.3Confident58Low0 Ų076.2 Ų76.20%039%0.392CS..EExtended strand (participates in β ladder)trans-99.8129162.6178.70000107.6I249 F343 I344 V345 I396 I436I249-V394 HydrophobicContact CD1-CG1 3.97Å; F343-V394 PolarHBondContact O-N 2.73Å; I344-V394 CarbonylContact C-O 3.56Å; I344-V394 WeakPolarHBondContact CA-O 3.29Å; I344-V394 HydrophobicContact CG1-CB 4.26Å; I344-V394 HydrophobicContact CG2-CB 4.22Å; I344-V394 HydrophobicContact CG2-CG1 4.39Å; V345-V394 PolarHBondContact N-O 3.37Å; V394-I396 HydrophobicContact CG1-CD1 4.26Å; V394-I396 HydrophobicContact CG1-CG1 3.87Å; V394-I436 HydrophobicContact CG1-CB 4.26Å; V394-I436 HydrophobicContact CG1-CD1 4.07Å; V394-I436 HydrophobicContact CG1-CG1 4.47Å
395C75.4Confident58.3Low20 Ų2073.5 Ų73.514%0.13538%0.382CS..EExtended strand (participates in β ladder)trans-116.3120.2174.5-171.60000109.1V345V345-C395 CarbonylContact O-C 3.57Å
396I75.6Confident58.3Low27 Ų2767.4 Ų67.414%0.13836%0.36CS..EExtended strand (participates in β ladder)trans-114124.9-176.7-54.6171.3000107.6L246 I249 I344 V345 V346 L347 V394 V398L246-I396 HydrophobicContact CD2-CD1 3.98Å; L246-I396 HydrophobicContact CD2-CG1 4.4Å; L246-I396 HydrophobicContact CD2-CG2 4.41Å; I249-I396 HydrophobicContact CD1-CD1 4.19Å; I344-I396 HydrophobicContact CG2-CD1 3.96Å; V345-I396 PolarHBondContact O-N 3.4Å; V346-I396 CarbonylContact C-O 3.59Å; V346-I396 VanDerWaalsContact CA-O 3.29Å; V346-I396 WeakPolarHBondContact CA-O 2.97Å; L347-I396 PolarHBondContact N-O 2.72Å; V394-I396 HydrophobicContact CG1-CD1 4.26Å; V394-I396 HydrophobicContact CG1-CG1 3.87Å; I396-V398 HydrophobicContact CG2-CG2 4.34Å
397C73.9Confident58.1Low35 Ų3572.7 Ų72.724%0.23638%0.379CS..EExtended strand (participates in β ladder)trans-102.3123.7172-67.60000109.8L347 Q349 L351L347-C397 CarbonylContact O-C 3.58Å; L347-C397 WeakPolarHBondContact O-CA 3.3Å; Q349-C397 WeakPolarHBondContact O-CB 3.08Å; L351-C397 HydrophobicContact CB-CB 4.06Å; L351-C397 VanDerWaalsContact CD1-SG 3.58Å
398V70.4Confident57.6Low56 Ų5672.2 Ų72.234%0.33938%0.381SS..  trans-103.7111.2176.7-172.60000107.6V346 L347 S348 I396 S400 V401V346-V398 HydrophobicContact CG1-CG2 3.78Å; L347-V398 PolarHBondContact O-N 3.18Å; S348-V398 CarbonylContact C-O 3.31Å; S348-V398 VanDerWaalsContact C-O 3.31Å; I396-V398 HydrophobicContact CG2-CG2 4.34Å; V398-S400 PolarHBondContact O-N 3.47Å; V398-V401 HydrophobicContact CB-CG2 4.41Å; V398-V401 HydrophobicContact CG1-CG2 3.89Å
399N63Low57.2Low112 Ų11279.9 Ų79.960%0.59941%0.408SS*.SBendtrans-59.7106.9175.7-74.9-29.2000109.4R350R350-N399 WeakPolarHBondContact CB-OD1 3.37Å
400S53.7Low56.5Low95 Ų9579 Ų7966%0.66441%0.41SS*.  trans33.887.9173.3-78.30000113V398 S402V398-S400 PolarHBondContact O-N 3.47Å; S400-S402 PolarHBondContact O-N 3.35Å
401V48.1Very low55.8Low50 Ų5078.9 Ų78.930%0.30341%0.409SS..  trans-50.4114.4166.6-173.20000106.6V398 F403 I405 F406V398-V401 HydrophobicContact CB-CG2 4.41Å; V398-V401 HydrophobicContact CG1-CG2 3.89Å; V401-F403 PolarHBondContact O-N 3.36Å; V401-F403 VanDerWaalsContact O-N 3.12Å; V401-I405 HydrophobicContact CG1-CB 3.8Å; V401-I405 HydrophobicContact CG1-CD1 3.97Å; V401-I405 HydrophobicContact CG1-CG1 4.16Å; V401-F406 HydrophobicContact CG1-CD2 4.27Å
402S41.4Very low54.7Low70 Ų7079.6 Ų79.649%0.4941%0.414SS..  trans-47.4128.1174.358.40000107.4S400 L404 I405S400-S402 PolarHBondContact O-N 3.35Å; S402-L404 PolarHBondContact O-N 3.37Å; S402-I405 PolarHBondContact O-N 3.13Å
403F40.4Very low53.9Low170 Ų17079.5 Ų79.575%0.74641%0.413SS*.THydrogen-bonded Turntrans-43.7-8.2-176.5-73.1-87.9000116.4V401V401-F403 PolarHBondContact O-N 3.36Å; V401-F403 VanDerWaalsContact O-N 3.12Å
404L39.1Very low52.8Low158 Ų15878.1 Ų78.183%0.82741%0.411SS*.THydrogen-bonded Turntrans-70.4-29.9177.5-85.1142.7000115.1S402S402-L404 PolarHBondContact O-N 3.37Å
405I44.7Very low51.8Low128 Ų12878.5 Ų78.566%0.65641%0.413SS*.SBendtrans-87.6-41.4-174.6-58.4-179.7000111.6V401 S402V401-I405 HydrophobicContact CG1-CB 3.8Å; V401-I405 HydrophobicContact CG1-CD1 3.97Å; V401-I405 HydrophobicContact CG1-CG1 4.16Å; S402-I405 PolarHBondContact O-N 3.13Å
406F40.6Very low50.8Low96 Ų9678.9 Ų78.942%0.42141%0.413SS..  trans-105.1115172.2-73-86.8000108.4V401 C408V401-F406 HydrophobicContact CG1-CD2 4.27Å; F406-C408 HydrophobicContact CB-CB 4.36Å; F406-C408 PolarHBondContact O-N 3.36Å
407K40.5Very low49.7Very low218 Ų21877.6 Ų77.695%0.94841%0.406SS*.  trans-64.322.4164.2-83.9-174.3176.1178.80112.7
408C38.6Very low48.6Very low57 Ų5776 Ų7639%0.38540%0.395SS..  trans-96.3126.8173-102.10000108.8F406 T410F406-C408 HydrophobicContact CB-CB 4.36Å; F406-C408 PolarHBondContact O-N 3.36Å; C408-T410 PolarHBondContact O-N 3.47Å; C408-T410 PolarHBondContact SG-OG1 3.24Å; C408-T410 VanDerWaalsContact SG-OG1 3.37Å
409K42.2Very low47.9Very low201 Ų20173.3 Ų73.387%0.87438%0.379SS*.SBendtrans-71.1-5.6164.7-77.5-175.3173.6-177.90112.3
410T44.3Very low47.3Very low45 Ų4568.4 Ų68.428%0.27635%0.352SS..SBendtrans-106.8148.7-170.345.30000110.9E310 C408 C412E310-T410 HydrophobicContact CG-CG2 4.1Å; C408-T410 PolarHBondContact O-N 3.47Å; C408-T410 PolarHBondContact SG-OG1 3.24Å; C408-T410 VanDerWaalsContact SG-OG1 3.37Å; T410-C412 PolarHBondContact O-N 2.96Å
411M50Low46.8Very low54 Ų5465.4 Ų65.427%0.26633%0.327SS..EExtended strand (participates in β ladder)trans-70122.7-178.7-47.9-166.1134.800108.8T308 G309 V312 Q349 Y413T308-M411 VanDerWaalsContact CA-O 3.29Å; T308-M411 WeakPolarHBondContact CA-O 3.46Å; G309-M411 PolarHBondContact N-O 2.93Å; G309-M411 VanDerWaalsContact N-O 3.13Å; G309-M411 WeakPolarHBondContact O-CA 3.43Å; G309-M411 WeakPolarHBondContact O-CB 3.47Å; G309-M411 WeakPolarHBondContact O-CG 3.42Å; G309-M411 PolarHBondContact O-N 2.72Å; V312-M411 HydrophobicContact CG2-SD 4.42Å; Q349-M411 HydrophobicContact CG-SD 4.31Å; Q349-M411 PolarHBondContact NE2-SD 3.02Å; M411-Y413 HydrophobicContact CB-CE2 4.16Å
412C48.7Very low46.6Very low24 Ų2463.8 Ų63.816%0.16232%0.319CS..EExtended strand (participates in β ladder)trans-100133.7-178.4-66.70000111.1S348 T410S348-C412 WeakPolarHBondContact CB-O 3.37Å; S348-C412 PolarHBondContact OG-O 3.46Å; T410-C412 PolarHBondContact O-N 2.96Å
413Y53.3Low46.3Very low8 Ų865 Ų653%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-115.1139.7173.6-58.3-87.3000108.1Y306 G307 I315 A318 L347 Q349 M411Y306-Y413 WeakPolarHBondContact CA-O 3.42Å; Y306-Y413 VanDerWaalsContact CB-O 3.24Å; Y306-Y413 WeakPolarHBondContact CB-O 3.49Å; Y306-Y413 WeakPolarHBondContact CD1-O 3.44Å; G307-Y413 PolarHBondContact N-O 2.8Å; G307-Y413 VanDerWaalsContact N-O 3.16Å; G307-Y413 WeakPolarHBondContact O-CA 3.43Å; G307-Y413 VanDerWaalsContact O-CB 3.3Å; G307-Y413 WeakPolarHBondContact O-CB 3.49Å; G307-Y413 WeakPolarHBondContact O-CD2 3.34Å; G307-Y413 PolarHBondContact O-N 2.94Å; I315-Y413 HydrophobicContact CD1-CE1 4.37Å; I315-Y413 HydrophobicContact CG1-CE1 3.64Å; I315-Y413 WeakPolarHBondContact CG1-OH 3.17Å; A318-Y413 HydrophobicContact CB-CD2 3.36Å; A318-Y413 HydrophobicContact CB-CE2 3.7Å; A318-Y413 HydrophobicContact CB-CG 4.03Å; L347-Y413 HydrophobicContact CD2-CD1 3.86Å; L347-Y413 HydrophobicContact CD2-CE1 4.37Å; Q349-Y413 HydrophobicContact CG-CE1 4.4Å; M411-Y413 HydrophobicContact CB-CE2 4.16Å
414A52.3Low45.9Very low17 Ų1759.6 Ų59.614%0.1430%0.304CS..EExtended strand (participates in β ladder)trans-130.7118.9178.200000110.3Y305 Y306 V346Y305-A414 CarbonylContact O-C 3.48Å; Y305-A414 WeakPolarHBondContact O-CA 3.47Å; Y306-A414 HydrophobicContact CD1-CB 3.4Å; Y306-A414 VanDerWaalsContact CD1-CB 3.4Å; Y306-A414 HydrophobicContact CE1-CB 3.51Å; V346-A414 HydrophobicContact CB-CB 4.34Å; V346-A414 PolarHBondContact N-O 3.07Å; V346-A414 PolarHBondContact O-N 2.88Å; V346-A414 VanDerWaalsContact O-N 3.08Å
415L50.8Low45.4Very low7 Ų763.8 Ų63.84%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-103.7128.6171.4-17866.7000108.4Y305 A322 F323 M326 F343 V345Y305-L415 PolarHBondContact N-O 3.35Å; Y305-L415 PolarHBondContact O-N 2.96Å; A322-L415 HydrophobicContact CB-CB 4.03Å; A322-L415 HydrophobicContact CB-CD2 4.45Å; F323-L415 HydrophobicContact CD2-CD2 3.75Å; F323-L415 HydrophobicContact CE1-CD2 4.49Å; F323-L415 HydrophobicContact CE2-CD2 3.69Å; F323-L415 HydrophobicContact CG-CD2 4.2Å; F323-L415 HydrophobicContact CZ-CD2 4.08Å; M326-L415 HydrophobicContact CE-CD2 3.97Å; M326-L415 HydrophobicContact SD-CD2 4.44Å; F343-L415 HydrophobicContact CD1-CD1 3.76Å; F343-L415 HydrophobicContact CD1-CD2 4.48Å; F343-L415 HydrophobicContact CD1-CG 4.21Å; F343-L415 HydrophobicContact CE1-CD1 4.38Å; F343-L415 HydrophobicContact CE1-CD2 4.31Å; F343-L415 HydrophobicContact CE1-CG 4.48Å; V345-L415 HydrophobicContact CB-CD1 4.39Å; V345-L415 HydrophobicContact CG1-CD1 4.47Å; V345-L415 HydrophobicContact CG2-CD1 3.51Å
416F54.4Low44.7Very low28 Ų2860 Ų6012%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-131.3151.8167.373.2-91.6000111.7V301 N304 F343 I344 V346V301-F416 HydrophobicContact CG1-CD2 4.41Å; N304-F416 WeakPolarHBondContact OD1-CB 3.36Å; F343-F416 WeakPolarHBondContact CA-O 3.26Å; I344-F416 HydrophobicContact CB-CD1 3.76Å; I344-F416 HydrophobicContact CB-CD2 3.87Å; I344-F416 HydrophobicContact CB-CE1 3.26Å; I344-F416 HydrophobicContact CB-CE2 3.39Å; I344-F416 HydrophobicContact CB-CG 4.08Å; I344-F416 HydrophobicContact CB-CZ 3.09Å; I344-F416 HydrophobicContact CD1-CE1 4.45Å; I344-F416 HydrophobicContact CD1-CE2 3.44Å; I344-F416 VanDerWaalsContact CD1-CE2 3.44Å; I344-F416 HydrophobicContact CD1-CZ 3.42Å; I344-F416 VanDerWaalsContact CD1-CZ 3.42Å; I344-F416 HydrophobicContact CG1-CD2 4.28Å; I344-F416 HydrophobicContact CG1-CE1 4.31Å; I344-F416 HydrophobicContact CG1-CE2 3.59Å; I344-F416 HydrophobicContact CG1-CZ 3.64Å; I344-F416 HydrophobicContact CG2-CD1 4.03Å; I344-F416 HydrophobicContact CG2-CE1 3.14Å; I344-F416 HydrophobicContact CG2-CE2 4.04Å; I344-F416 HydrophobicContact CG2-CZ 3.19Å; I344-F416 PolarHBondContact N-O 2.88Å; I344-F416 WeakPolarHBondContact O-CD1 3.4Å; I344-F416 PolarHBondContact O-N 2.89Å; I344-F416 VanDerWaalsContact O-O 3.06Å; V346-F416 HydrophobicContact CG2-CE1 4.43Å
417C52.7Low44.1Very low0 Ų063 Ų630%031%0.308CS..EExtended strand (participates in β ladder)trans-130.4130.5-170170.30000110.4T302 M326 I340 Q342 F343T302-C417 WeakPolarHBondContact CB-O 3.21Å; T302-C417 HydrophobicContact CG2-CB 4.35Å; T302-C417 WeakPolarHBondContact CG2-O 3.33Å; T302-C417 PolarHBondContact N-O 3.22Å; T302-C417 PolarHBondContact OG1-N 3.26Å; T302-C417 PolarHBondContact OG1-O 3.21Å; M326-C417 HydrophobicContact SD-CB 3.89Å; I340-C417 WeakPolarHBondContact CG2-SG 3.4Å; Q342-C417 CarbonylContact O-C 3.57Å; Q342-C417 WeakPolarHBondContact O-CA 3.19Å; F343-C417 HydrophobicContact CD1-CB 3.86Å; F343-C417 HydrophobicContact CE1-CB 3.78Å
418V52.2Low43.6Very low2 Ų255.1 Ų55.11%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-93119.3163.8-1730000107.6I257 L295 M299 Y300 V301 V341 Q342I257-V418 HydrophobicContact CD1-CG1 4.14Å; L295-V418 HydrophobicContact CD1-CG1 4.27Å; M299-V418 HydrophobicContact CE-CG1 4.02Å; Y300-V418 WeakPolarHBondContact O-CA 3.35Å; V301-V418 HydrophobicContact CG1-CG2 4.3Å; V301-V418 HydrophobicContact CG2-CG1 4.25Å; V301-V418 HydrophobicContact CG2-CG2 4.08Å; V341-V418 PolarHBondContact N-O 3.5Å; Q342-V418 HydrophobicContact CB-CB 4.24Å; Q342-V418 PolarHBondContact N-O 3.38Å; Q342-V418 VanDerWaalsContact N-O 3.08Å; Q342-V418 PolarHBondContact O-N 3.38Å
419F54.1Low43.1Very low0 Ų056.8 Ų56.80%028%0.28CS..EExtended strand (participates in β ladder)trans-124.6154.317969.5-79.8000110.2I288 F291 A292 Y300 T302 F330 I335 I340 F421I288-F419 HydrophobicContact CG2-CE2 4.46Å; I288-F419 HydrophobicContact CG2-CZ 4.03Å; F291-F419 HydrophobicContact CE2-CE1 4.1Å; F291-F419 AromaticContact CE2-CZ 3.8Å; F291-F419 HydrophobicContact CE2-CZ 3.8Å; F291-F419 HydrophobicContact CZ-CZ 4.16Å; A292-F419 HydrophobicContact CB-CE1 3.64Å; A292-F419 HydrophobicContact CB-CZ 3.73Å; Y300-F419 VanDerWaalsContact CB-CZ 3.42Å; Y300-F419 HydrophobicContact CD2-CE2 4.25Å; Y300-F419 HydrophobicContact CG-CE2 4.25Å; Y300-F419 HydrophobicContact CG-CZ 4.09Å; Y300-F419 PolarHBondContact N-O 3.25Å; Y300-F419 PolarHBondContact O-N 3.07Å; T302-F419 HydrophobicContact CG2-CD1 3.58Å; T302-F419 HydrophobicContact CG2-CE1 3.39Å; F330-F419 HydrophobicContact CE1-CB 4.32Å; F330-F419 HydrophobicContact CE1-CG 4.29Å; F330-F419 HydrophobicContact CZ-CB 4.32Å; F330-F419 AromaticContact CZ-CD1 3.86Å; F330-F419 HydrophobicContact CZ-CD1 3.86Å; F330-F419 HydrophobicContact CZ-CE1 4.34Å; F330-F419 HydrophobicContact CZ-CG 4.05Å; I335-F419 HydrophobicContact CD1-CD2 4.12Å; I335-F419 HydrophobicContact CD1-CE2 3.46Å; I335-F419 VanDerWaalsContact CD1-CE2 3.46Å; I335-F419 HydrophobicContact CD1-CZ 3.85Å; I335-F419 HydrophobicContact CG1-CE2 4.46Å; I335-F419 HydrophobicContact CG2-CD2 4.07Å; I335-F419 HydrophobicContact CG2-CE2 4.46Å; I340-F419 HydrophobicContact CG1-CB 4.37Å; F419-F421 HydrophobicContact CD2-CB 4.31Å; F419-F421 HydrophobicContact CE2-CB 4.09Å
420F50.9Low42.3Very low9 Ų948 Ų484%0.03924%0.243CC..EExtended strand (participates in β ladder)trans-113122.5174.6166-81.3000109.3F261 N297 M299 Q339 V341 F426 R428F261-F420 HydrophobicContact CD2-CD2 4.36Å; F261-F420 AromaticContact CD2-CE2 3.91Å; F261-F420 HydrophobicContact CD2-CE2 3.91Å; F261-F420 HydrophobicContact CD2-CZ 4.49Å; F261-F420 HydrophobicContact CE1-CE2 4.38Å; F261-F420 HydrophobicContact CE2-CD2 4.07Å; F261-F420 AromaticContact CE2-CE2 3.22Å; F261-F420 HydrophobicContact CE2-CE2 3.22Å; F261-F420 AromaticContact CE2-CZ 3.49Å; F261-F420 HydrophobicContact CE2-CZ 3.49Å; F261-F420 VanDerWaalsContact CE2-CZ 3.49Å; F261-F420 AromaticContact CZ-CE2 3.5Å; F261-F420 HydrophobicContact CZ-CE2 3.5Å; F261-F420 AromaticContact CZ-CZ 3.79Å; F261-F420 HydrophobicContact CZ-CZ 3.79Å; N297-F420 WeakPolarHBondContact O-CE2 3.14Å; M299-F420 HydrophobicContact CG-CB 4.45Å; M299-F420 HydrophobicContact CG-CD2 3.74Å; Q339-F420 WeakPolarHBondContact CB-O 3.26Å; Q339-F420 PolarHBondContact NE2-O 3.16Å; Q339-F420 PolarHBondContact O-N 2.79Å; V341-F420 HydrophobicContact CG2-CB 3.88Å; F420-F426 HydrophobicContact CE1-CB 4.41Å; F420-R428 VanDerWaalsContact CB-NH2 3.27Å; F420-R428 PolarHBondContact O-NH2 2.87Å; F420-R428 VanDerWaalsContact O-NH2 3.1Å
421F44.2Very low41.5Very low31 Ų3147.3 Ų47.314%0.13624%0.238CC..  trans-106.3113.2179.3-173.2-93.5000109.3D284 I288 G298 Y300 I335 F419 T423D284-F421 HydrophobicContact CB-CE1 4.23Å; I288-F421 HydrophobicContact CD1-CB 4.29Å; I288-F421 HydrophobicContact CD1-CD1 3.5Å; I288-F421 HydrophobicContact CD1-CD2 4.02Å; I288-F421 HydrophobicContact CD1-CE1 3.71Å; I288-F421 HydrophobicContact CD1-CE2 4.2Å; I288-F421 HydrophobicContact CD1-CG 3.66Å; I288-F421 HydrophobicContact CD1-CZ 4.04Å; G298-F421 PolarHBondContact O-N 3.38Å; Y300-F421 HydrophobicContact CD2-CB 3.88Å; Y300-F421 HydrophobicContact CE2-CB 3.91Å; I335-F421 HydrophobicContact CG1-CD2 3.99Å; I335-F421 HydrophobicContact CG1-CE2 4.15Å; F419-F421 HydrophobicContact CD2-CB 4.31Å; F419-F421 HydrophobicContact CE2-CB 4.09Å; F421-T423 HydrophobicContact CE1-CG2 4.45Å
422S42.3Very low40.3Very low17 Ų1746.7 Ų46.712%0.11924%0.235CC..  trans-138.8136.8167.9-171.90000108.3T424S422-T424 PolarHBondContact O-N 2.94Å; S422-T424 PolarHBondContact OG-N 3.34Å; S422-T424 PolarHBondContact OG-OG1 3.16Å
423T36.3Very low39.1Very low95 Ų9551.4 Ų51.458%0.58325%0.252SS*.SBendtrans-69-17.7173.948.50000111.9F421F421-T423 HydrophobicContact CE1-CG2 4.45Å
424T31.1Very low37.7Very low57 Ų5754.2 Ų54.235%0.3527%0.268SS..SBendtrans-92.4127.1174.238.40000112.1Q278 S422 F426Q278-T424 PolarHBondContact OE1-OG1 3.43Å; S422-T424 PolarHBondContact O-N 2.94Å; S422-T424 PolarHBondContact OG-N 3.34Å; S422-T424 PolarHBondContact OG-OG1 3.16Å; T424-F426 PolarHBondContact O-N 3.36Å
425R29.4Very low36.3Very low245 Ų24559.5 Ų59.593%0.92529%0.291SS*.  trans-52112.7173.8-80.4-176.4175.7-179.8-3109.7
426F29.9Very low35.1Very low48 Ų4860 Ų6021%0.21129%0.294CS..  trans-104.2120.2177.9-167.8-87.3000109.5F261 M265 K268 F420 T424 R428F261-F426 HydrophobicContact CD2-CZ 4.46Å; F261-F426 AromaticContact CE2-CE2 3.95Å; F261-F426 HydrophobicContact CE2-CE2 3.95Å; F261-F426 HydrophobicContact CE2-CZ 4.11Å; M265-F426 HydrophobicContact SD-CE2 4.4Å; K268-F426 VanDerWaalsContact NZ-CE2 3.29Å; F420-F426 HydrophobicContact CE1-CB 4.41Å; T424-F426 PolarHBondContact O-N 3.36Å; F426-R428 HydrophobicContact CD1-CB 4.22Å; F426-R428 HydrophobicContact CD1-CG 3.48Å; F426-R428 VanDerWaalsContact CD1-CG 3.48Å; F426-R428 HydrophobicContact CE1-CB 4.49Å; F426-R428 HydrophobicContact CE1-CG 4.03Å; F426-R428 PolarHBondContact O-N 2.8Å
427L27.5Very low34Very low161 Ų16163.5 Ų63.584%0.84331%0.313SS*.  trans-71.6111.1163.3-125.382.8000107.6
428R30.4Very low33Very low51 Ų5166.7 Ų66.719%0.19233%0.329CS..  trans-91.3130.9-173.6-74.2-177.2175.3179.91111.9Q338 Q339 I340 F420 F426Q338-R428 PolarHBondContact O-NH1 2.8Å; Q339-R428 VanDerWaalsContact C-NH2 3.3Å; Q339-R428 VanDerWaalsContact CA-NH2 3.29Å; Q339-R428 VanDerWaalsContact O-CZ 3.3Å; Q339-R428 PolarHBondContact O-NH1 3.01Å; Q339-R428 PolarHBondContact O-NH2 2.7Å; I340-R428 PolarHBondContact O-NH1 3.06Å; F420-R428 VanDerWaalsContact CB-NH2 3.27Å; F420-R428 PolarHBondContact O-NH2 2.87Å; F420-R428 VanDerWaalsContact O-NH2 3.1Å; F426-R428 HydrophobicContact CD1-CB 4.22Å; F426-R428 HydrophobicContact CD1-CG 3.48Å; F426-R428 VanDerWaalsContact CD1-CG 3.48Å; F426-R428 HydrophobicContact CE1-CB 4.49Å; F426-R428 HydrophobicContact CE1-CG 4.03Å; F426-R428 PolarHBondContact O-N 2.8Å
429V27.3Very low32Very low93 Ų9370.1 Ų70.156%0.56435%0.346SS*.  trans-126.294.3160.4-1770000105R113R113-V429 HydrophobicContact CB-CG1 4.39Å; R113-V429 HydrophobicContact CG-CG1 4.36Å
430L26.8Very low30.8Very low17 Ų1773.9 Ų73.99%0.08937%0.365CS..  trans-154.9102.4179-110.9156.2000106.2I257 D260 Y389I257-L430 HydrophobicContact CG2-CD1 4.46Å; I257-L430 HydrophobicContact CG2-CD2 4.17Å; D260-L430 HydrophobicContact CB-CD2 3.52Å; D260-L430 HydrophobicContact CB-CG 4.22Å; Y389-L430 PolarHBondContact OH-O 2.78Å
431T26.4Very low29.6Very low29 Ų2977.8 Ų77.818%0.17838%0.384CS..  trans-133.3119.4-174.96.70000105.5L108 D110L108-T431 WeakPolarHBondContact CD1-O 3.49Å; D110-T431 WeakPolarHBondContact OD1-CB 3.48Å; D110-T431 PolarHBondContact OD1-OG1 3.02Å
432H26.2Very low28.7Very low42 Ų4280.7 Ų80.719%0.19440%0.4CS..  trans-139.299.9178.7-97.933.4000106.2D260 T392 L434D260-H432 IonicContact OD2-CE1 3.3Å; D260-H432 PolarHBondContact OD2-CE1 3.2Å; D260-H432 IonicContact OD2-ND1 3.79Å; D260-H432 IonicContact OD2-NE2 2.73Å; T392-H432 WeakPolarHBondContact CB-O 3.39Å; T392-H432 HydrophobicContact CG2-CB 4.32Å; T392-H432 WeakPolarHBondContact CG2-O 3.37Å; H432-L434 PolarHBondContact O-N 2.92Å
433F23.3Very low27.8Very low122 Ų12284.9 Ų84.954%0.53542%0.418SS..  trans-86100.7165.4-111-92.1000107.3
434L23.6Very low27.2Very low67 Ų6784.2 Ų84.235%0.35141%0.407SS..  trans-108.590.3155.6-110.9110.4000107.1H432 I436H432-L434 PolarHBondContact O-N 2.92Å; L434-I436 HydrophobicContact CB-CG1 4.23Å; L434-I436 HydrophobicContact CD2-CD1 3.72Å; L434-I436 HydrophobicContact CD2-CG1 3.52Å; L434-I436 HydrophobicContact CG-CG1 4.43Å; L434-I436 PolarHBondContact O-N 2.96Å
435M22.6Very low26.9Very low128 Ų12886.3 Ų86.363%0.63141%0.411SS*.  trans-68.192.9154.3-96.5-165162.400106.9
436I25.6Very low26.7Very low18 Ų1873.1 Ų73.19%0.09237%0.368CS..  trans-85.6106.7161.5-59.6170.4000104.9I249 V394 L434I249-I436 HydrophobicContact CD1-CD1 3.33Å; I249-I436 HydrophobicContact CG1-CD1 4.24Å; V394-I436 HydrophobicContact CG1-CB 4.26Å; V394-I436 HydrophobicContact CG1-CD1 4.07Å; V394-I436 HydrophobicContact CG1-CG1 4.47Å; L434-I436 HydrophobicContact CB-CG1 4.23Å; L434-I436 HydrophobicContact CD2-CD1 3.72Å; L434-I436 HydrophobicContact CD2-CG1 3.52Å; L434-I436 HydrophobicContact CG-CG1 4.43Å; L434-I436 PolarHBondContact O-N 2.96Å
437N30.7Very low26.4Very low101 Ų10175.4 Ų75.454%0.5438%0.383SS..  trans-90.20162.3-82.1-41.5000109.9M1M1-N437 HydrophobicContact CE-CB 4.26Å

Retrieved 437 of 437 residues in 556.6 ms (Link to these results)

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