A0A3Q0KSX4_SCHMA Loading...

Structural maintenance of chromosomes protein

AlphaFold DB , UniProt , Accession A0A3Q0KSX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,203 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
1M84.2Confident93.5Very high13 Ų1321.9 Ų21.96%0.06411%0.105CC..  0133.50-171.8-175.185.600109.9F83 D84 P92 F131 V134 L136 P1118M1-F83 HydrophobicContact CE-CD1 3.65Å; M1-F83 HydrophobicContact CE-CE1 3.94Å; M1-F83 HydrophobicContact CE-CG 4.17Å; M1-F83 HydrophobicContact CG-CB 3.8Å; M1-F83 HydrophobicContact CG-CD1 4.12Å; M1-F83 HydrophobicContact CG-CG 4.31Å; M1-F83 HydrophobicContact SD-CB 4.07Å; M1-F83 HydrophobicContact SD-CD1 4.21Å; M1-F83 HydrophobicContact SD-CG 4.24Å; M1-D84 WeakPolarHBondContact CA-O 3.34Å; M1-D84 WeakPolarHBondContact CG-O 3.3Å; M1-P92 HydrophobicContact SD-CG 4.35Å; M1-F131 HydrophobicContact CE-CD1 4.37Å; M1-F131 HydrophobicContact CE-CE1 4.32Å; M1-V134 HydrophobicContact CE-CG2 3.77Å; M1-V134 HydrophobicContact SD-CG1 4.47Å; M1-L136 HydrophobicContact CE-CD1 4.3Å; M1-P1118 WeakPolarHBondContact O-CB 3.07Å
2Y89.2Confident93.5Very high59 Ų5922.7 Ų22.723%0.23111%0.108CC..EExtended strand (participates in β ladder)trans-146.3161176.168.9-89.5000111.5K4 P25 F83 D84Y2-K4 HydrophobicContact CE2-CB 4.39Å; Y2-K4 PolarHBondContact O-N 3.33Å; Y2-P25 HydrophobicContact CD1-CB 4Å; Y2-P25 HydrophobicContact CD2-CB 4.19Å; Y2-P25 HydrophobicContact CE1-CB 4.02Å; Y2-P25 HydrophobicContact CE2-CB 4.22Å; Y2-P25 HydrophobicContact CG-CB 4.1Å; Y2-F83 CarbonylContact O-C 3.58Å; Y2-F83 WeakPolarHBondContact O-CA 3.47Å; Y2-D84 HydrophobicContact CD1-CB 3.84Å; Y2-D84 HydrophobicContact CE1-CB 3.41Å; Y2-D84 VanDerWaalsContact CE1-CB 3.41Å; Y2-D84 HydrophobicContact CE2-CB 4.19Å; Y2-D84 HydrophobicContact CG-CB 4.4Å; Y2-D84 PolarHBondContact N-O 2.89Å; Y2-D84 PolarHBondContact O-N 3.17Å
3I94Very high93.3Very high0 Ų022.2 Ų22.20%011%0.109CC..EExtended strand (participates in β ladder)trans-74.4118.4177-60.6172.5000108.8F23 I45 F83 L1119 Q1149 I1151I3-F23 HydrophobicContact CG2-CD2 4.31Å; I3-F23 HydrophobicContact CG2-CE2 4.46Å; I3-F23 WeakPolarHBondContact O-CB 3.09Å; I3-I45 HydrophobicContact CD1-CD1 4.21Å; I3-I45 HydrophobicContact CD1-CG1 4.4Å; I3-I45 HydrophobicContact CD1-CG2 3.85Å; I3-F83 HydrophobicContact CD1-CE1 4.24Å; I3-F83 HydrophobicContact CG1-CD1 3.89Å; I3-F83 HydrophobicContact CG1-CE1 3.4Å; I3-F83 HydrophobicContact CG1-CZ 4Å; I3-L1119 HydrophobicContact CD1-CD1 4.13Å; I3-L1119 HydrophobicContact CD1-CD2 3.69Å; I3-L1119 HydrophobicContact CG1-CD2 4.39Å; I3-Q1149 PolarHBondContact O-NE2 2.79Å; I3-I1151 HydrophobicContact CD1-CD1 4.11Å
4K93.8Very high93.2Very high73 Ų7320.6 Ų20.632%0.31710%0.101SC..EExtended strand (participates in β ladder)trans-89.2-45.6176.5-172.9176.3177.9172.60111.6Y2 G22 F23 V82 E100Y2-K4 HydrophobicContact CE2-CB 4.39Å; Y2-K4 PolarHBondContact O-N 3.33Å; K4-G22 PolarHBondContact O-N 3.38Å; K4-F23 PolarHBondContact O-N 3.4Å; K4-V82 PolarHBondContact N-O 3Å; K4-E100 IonicContact NZ-OE1 3.77Å; K4-E100 PolarHBondContact NZ-OE1 2.92Å
5S95.4Very high92.8Very high11 Ų1121.1 Ų21.18%0.07711%0.106CC..EExtended strand (participates in β ladder)trans-145.5155.6177.173.10000112.2I20 D21 A81 V82S5-I20 CarbonylContact C-O 3.57Å; S5-I20 WeakPolarHBondContact CA-O 3.47Å; S5-D21 WeakPolarHBondContact CB-OD1 3.24Å; S5-A81 WeakPolarHBondContact O-CA 3.42Å; S5-V82 PolarHBondContact N-O 3.03Å; S5-V82 PolarHBondContact O-N 3.45Å; S5-V82 WeakPolarHBondContact OG-CB 3.23Å; S5-V82 WeakPolarHBondContact OG-CG2 3.38Å
6L96.6Very high92.5Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-133.4122.9179.8-177.772.2000109.9I8 I20 F23 I41 I45 V79 S80 A81L6-I8 HydrophobicContact CD2-CD1 3.82Å; L6-I8 HydrophobicContact CD2-CG1 4Å; L6-I8 HydrophobicContact CG-CD1 4.32Å; L6-I8 HydrophobicContact CG-CG1 3.94Å; L6-I20 HydrophobicContact CB-CB 4.42Å; L6-I20 HydrophobicContact CD2-CD1 4.41Å; L6-I20 PolarHBondContact N-O 3.19Å; L6-I20 PolarHBondContact O-N 3.32Å; L6-F23 HydrophobicContact CB-CE2 4.08Å; L6-F23 HydrophobicContact CB-CZ 4.47Å; L6-I41 HydrophobicContact CD2-CG2 3.83Å; L6-I45 HydrophobicContact CD1-CG1 4.15Å; L6-I45 HydrophobicContact CD2-CD1 4.12Å; L6-I45 HydrophobicContact CD2-CG1 3.67Å; L6-V79 HydrophobicContact CD1-CG1 3.75Å; L6-S80 CarbonylContact C-O 3.57Å; L6-S80 WeakPolarHBondContact CA-O 3.48Å; L6-A81 HydrophobicContact CD1-CB 3.96Å
7V96.7Very high92.5Very high22 Ų2236.3 Ų36.313%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-107.5120175.7-175.60000108.9R17 T18 E19 V79 S80V7-R17 HydrophobicContact CG1-CG 3.83Å; V7-T18 WeakPolarHBondContact CA-O 3.32Å; V7-E19 HydrophobicContact CG2-CG 4.02Å; V7-V79 WeakPolarHBondContact O-CA 3.29Å; V7-S80 PolarHBondContact N-O 3.4Å; V7-S80 PolarHBondContact O-N 3.17Å
8I96.1Very high92.5Very high0 Ų035.6 Ų35.60%017%0.166CC..EExtended strand (participates in β ladder)trans-116.8123.6-179.1-52178.6000108.3L6 F11 Y14 R17 T18 I20 I41 A44L6-I8 HydrophobicContact CD2-CD1 3.82Å; L6-I8 HydrophobicContact CD2-CG1 4Å; L6-I8 HydrophobicContact CG-CD1 4.32Å; L6-I8 HydrophobicContact CG-CG1 3.94Å; I8-F11 HydrophobicContact CG2-CB 3.57Å; I8-F11 HydrophobicContact CG2-CD1 4.22Å; I8-F11 HydrophobicContact CG2-CG 4.23Å; I8-Y14 HydrophobicContact CB-CG 4.48Å; I8-Y14 HydrophobicContact CD1-CD2 4.25Å; I8-Y14 HydrophobicContact CD1-CE2 4.27Å; I8-Y14 HydrophobicContact CG2-CD2 3.92Å; I8-Y14 HydrophobicContact CG2-CG 3.97Å; I8-R17 WeakPolarHBondContact O-CA 3.24Å; I8-T18 PolarHBondContact N-O 2.88Å; I8-T18 PolarHBondContact O-N 3.49Å; I8-I20 HydrophobicContact CD1-CD1 3.95Å; I8-I41 HydrophobicContact CD1-CG1 4.33Å; I8-A44 HydrophobicContact CD1-CB 3.79Å; I8-A44 HydrophobicContact CG1-CB 4.04Å; I8-A44 HydrophobicContact CG2-CB 4.43Å
9D95.3Very high92.6Very high63 Ų6339.4 Ų39.434%0.33718%0.184SC..EExtended strand (participates in β ladder)trans-139125-177.1-176.928.7000111.1F11 R17 A77 T78D9-F11 PolarHBondContact O-N 3.32Å; D9-R17 HydrophobicContact CB-CB 4.24Å; D9-R17 PolarHBondContact OD1-N 3.1Å; D9-A77 CarbonylContact O-C 3.54Å; D9-A77 WeakPolarHBondContact O-CA 3.16Å; D9-T78 PolarHBondContact N-O 3.05Å; D9-T78 PolarHBondContact O-N 3.29Å
10G93.2Very high92.7Very high0 Ų037.7 Ų37.70%018%0.176CC..SBendtrans6218.5-177.900000115.4Y14 Y67 A77G10-Y14 CarbonylContact C-O 3.53Å; G10-Y14 WeakPolarHBondContact CA-O 3.27Å; G10-Y14 PolarHBondContact N-O 3.28Å; G10-Y14 VanDerWaalsContact N-O 3.1Å; G10-Y67 PolarHBondContact O-N 3.26Å; G10-A77 VanDerWaalsContact O-CB 3.29Å; G10-A77 WeakPolarHBondContact O-CB 3.05Å
11F94.2Very high92.6Very high0 Ų040.1 Ų40.10%019%0.191CC..BIsolated β-bridgetrans-103.3122-173.7-174.6-90.7000111.6I8 D9 S13 Y14 D43 A44 F47 V57 L65 A77 V79I8-F11 HydrophobicContact CG2-CB 3.57Å; I8-F11 HydrophobicContact CG2-CD1 4.22Å; I8-F11 HydrophobicContact CG2-CG 4.23Å; D9-F11 PolarHBondContact O-N 3.32Å; F11-S13 PolarHBondContact O-N 2.92Å; F11-Y14 PolarHBondContact N-O 3.32Å; F11-Y14 VanDerWaalsContact N-O 3.07Å; F11-Y14 WeakPolarHBondContact O-CB 3.29Å; F11-Y14 PolarHBondContact O-N 3.26Å; F11-D43 HydrophobicContact CE1-CB 3.99Å; F11-D43 HydrophobicContact CZ-CB 4.15Å; F11-A44 HydrophobicContact CD1-CB 3.98Å; F11-A44 HydrophobicContact CE1-CB 3.8Å; F11-A44 HydrophobicContact CZ-CB 4.28Å; F11-F47 HydrophobicContact CD2-CD1 4.31Å; F11-F47 HydrophobicContact CE2-CB 3.94Å; F11-F47 AromaticContact CE2-CD1 3.79Å; F11-F47 HydrophobicContact CE2-CD1 3.79Å; F11-F47 HydrophobicContact CE2-CD2 4.47Å; F11-F47 HydrophobicContact CE2-CE1 4.4Å; F11-F47 AromaticContact CE2-CG 3.81Å; F11-F47 HydrophobicContact CE2-CG 3.81Å; F11-F47 HydrophobicContact CZ-CB 4.06Å; F11-F47 HydrophobicContact CZ-CG 4.43Å; F11-V57 HydrophobicContact CZ-CG1 4.4Å; F11-L65 CarbonylContact C-O 3.59Å; F11-L65 WeakPolarHBondContact CA-O 3.33Å; F11-L65 HydrophobicContact CD2-CB 4.23Å; F11-L65 WeakPolarHBondContact CD2-O 3.45Å; F11-L65 HydrophobicContact CE2-CB 3.79Å; F11-L65 HydrophobicContact CE2-CD1 4.27Å; F11-L65 HydrophobicContact CE2-CD2 4.19Å; F11-L65 HydrophobicContact CE2-CG 4.32Å; F11-L65 HydrophobicContact CZ-CB 4.43Å; F11-L65 HydrophobicContact CZ-CD2 4.06Å; F11-A77 HydrophobicContact CB-CB 4.13Å; F11-A77 HydrophobicContact CD2-CB 4.13Å; F11-V79 HydrophobicContact CB-CG2 4.32Å; F11-V79 HydrophobicContact CD2-CG2 3.78Å; F11-V79 HydrophobicContact CE2-CG2 4.22Å; F11-V79 HydrophobicContact CG-CG2 4.03Å
12K92.8Very high92.9Very high31 Ų3140.6 Ų40.614%0.13520%0.199CC..THydrogen-bonded Turntrans48.3-99.4178.4-67.2-165.6172-160.40115N40 D43 V57 R58 L65 Y67K12-N40 HydrophobicContact CB-CB 4.22Å; K12-N40 HydrophobicContact CD-CB 4.25Å; K12-N40 WeakPolarHBondContact CD-OD1 3.35Å; K12-D43 HydrophobicContact CD-CB 4.43Å; K12-D43 IonicContact NZ-OD2 3.36Å; K12-D43 PolarHBondContact NZ-OD2 2.86Å; K12-V57 WeakPolarHBondContact CE-O 3.18Å; K12-V57 PolarHBondContact NZ-O 3.45Å; K12-R58 PolarHBondContact NZ-O 2.87Å; K12-L65 PolarHBondContact N-O 3.04Å; K12-Y67 WeakPolarHBondContact O-CA 3.11Å; K12-Y67 WeakPolarHBondContact O-CD2 3.26Å
13S91.1Very high93.1Very high17 Ų1738.3 Ų38.312%0.11919%0.19CC..THydrogen-bonded Turntrans-98.8-4.5-179.966.30000113.6F11 C15 N40 S1176F11-S13 PolarHBondContact O-N 2.92Å; S13-C15 PolarHBondContact O-N 3.41Å; S13-N40 VanDerWaalsContact CB-ND2 3.32Å; S13-N40 WeakPolarHBondContact CB-ND2 3.28Å; S13-N40 PolarHBondContact OG-ND2 3.49Å; S13-S1176 WeakPolarHBondContact CB-OG 3.09Å; S13-S1176 PolarHBondContact O-N 2.97Å; S13-S1176 PolarHBondContact OG-OG 3.42Å
14Y92.2Very high93Very high0 Ų039.9 Ų39.90%020%0.199CC..BIsolated β-bridgetrans-95.385176.4-63.9-80.3000109.2I8 G10 F11 T18 G37 N40 I41 S1176 V1178I8-Y14 HydrophobicContact CB-CG 4.48Å; I8-Y14 HydrophobicContact CD1-CD2 4.25Å; I8-Y14 HydrophobicContact CD1-CE2 4.27Å; I8-Y14 HydrophobicContact CG2-CD2 3.92Å; I8-Y14 HydrophobicContact CG2-CG 3.97Å; G10-Y14 CarbonylContact C-O 3.53Å; G10-Y14 WeakPolarHBondContact CA-O 3.27Å; G10-Y14 PolarHBondContact N-O 3.28Å; G10-Y14 VanDerWaalsContact N-O 3.1Å; F11-Y14 PolarHBondContact N-O 3.32Å; F11-Y14 VanDerWaalsContact N-O 3.07Å; F11-Y14 WeakPolarHBondContact O-CB 3.29Å; F11-Y14 PolarHBondContact O-N 3.26Å; Y14-T18 HydrophobicContact CD1-CG2 4Å; Y14-T18 HydrophobicContact CE1-CG2 4.14Å; Y14-G37 PolarHBondContact OH-O 2.68Å; Y14-N40 HydrophobicContact CD2-CB 4.29Å; Y14-N40 HydrophobicContact CE2-CB 3.88Å; Y14-I41 HydrophobicContact CE2-CG1 4Å; Y14-I41 WeakPolarHBondContact OH-CD1 3.42Å; Y14-I41 WeakPolarHBondContact OH-CG1 3.39Å; Y14-S1176 WeakPolarHBondContact CD1-O 3.49Å; Y14-S1176 WeakPolarHBondContact CE1-O 3.33Å; Y14-V1178 HydrophobicContact CE1-CG2 3.83Å
15C87.9Confident92.8Very high27 Ų2739.1 Ų39.118%0.18220%0.201CC..  trans-61.4-48.3177.51790000111.8S13 Y67 I74 V1175S13-C15 PolarHBondContact O-N 3.41Å; C15-Y67 HydrophobicContact CB-CD1 4.22Å; C15-Y67 HydrophobicContact CB-CD2 3.75Å; C15-Y67 HydrophobicContact CB-CE1 4.01Å; C15-Y67 HydrophobicContact CB-CE2 3.61Å; C15-Y67 HydrophobicContact CB-CG 4.1Å; C15-I74 HydrophobicContact CB-CD1 4.41Å; C15-I74 WeakPolarHBondContact SG-CD1 3.39Å; C15-V1175 HydrophobicContact CB-CG1 3.97Å; C15-V1175 HydrophobicContact CB-CG2 3.88Å
16Q87.7Confident92.6Very high136 Ų13641.7 Ų41.764%0.63621%0.212SC*.SBendtrans-99.3154.9-177.1-62.4176.9-1.500110.8T18Q16-T18 PolarHBondContact O-N 3.28Å; Q16-T18 PolarHBondContact O-OG1 3.24Å
17R92.7Very high92.4Very high165 Ų16541.8 Ų41.862%0.62321%0.212SC*.  trans-52.1109.7171.6-179.2179.9166.8-179.3-6110.4V7 I8 D9 E19V7-R17 HydrophobicContact CG1-CG 3.83Å; I8-R17 WeakPolarHBondContact O-CA 3.24Å; D9-R17 HydrophobicContact CB-CB 4.24Å; D9-R17 PolarHBondContact OD1-N 3.1Å; R17-E19 IonicContact CZ-OE2 2.78Å; R17-E19 IonicContact NE-OE2 3.78Å; R17-E19 IonicContact NH2-OE2 3.97Å; R17-E19 PolarHBondContact NH2-OE2 3.18Å
18T92.8Very high92.3Very high23 Ų2340.7 Ų40.714%0.14121%0.206CC..EExtended strand (participates in β ladder)trans-113120.5179.5-55.40000108.4V7 I8 Y14 Q16 I20 V1178V7-T18 WeakPolarHBondContact CA-O 3.32Å; I8-T18 PolarHBondContact N-O 2.88Å; I8-T18 PolarHBondContact O-N 3.49Å; Y14-T18 HydrophobicContact CD1-CG2 4Å; Y14-T18 HydrophobicContact CE1-CG2 4.14Å; Q16-T18 PolarHBondContact O-N 3.28Å; Q16-T18 PolarHBondContact O-OG1 3.24Å; T18-I20 HydrophobicContact CG2-CG1 4.4Å; T18-V1178 HydrophobicContact CG2-CG2 4.2Å
19E93.4Very high92.1Very high109 Ų10940.7 Ų40.751%0.50921%0.206SC..EExtended strand (participates in β ladder)trans-105.3115.8-179.8-171.7156.2167.800109.3V7 R17V7-E19 HydrophobicContact CG2-CG 4.02Å; R17-E19 IonicContact CZ-OE2 2.78Å; R17-E19 IonicContact NE-OE2 3.78Å; R17-E19 IonicContact NH2-OE2 3.97Å; R17-E19 PolarHBondContact NH2-OE2 3.18Å
20I94.3Very high92Very high4 Ų437.8 Ų37.82%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-104.799.7178.2-50.9175.1000106.5S5 L6 I8 T18 F23 I41 F1167 V1178S5-I20 CarbonylContact C-O 3.57Å; S5-I20 WeakPolarHBondContact CA-O 3.47Å; L6-I20 HydrophobicContact CB-CB 4.42Å; L6-I20 HydrophobicContact CD2-CD1 4.41Å; L6-I20 PolarHBondContact N-O 3.19Å; L6-I20 PolarHBondContact O-N 3.32Å; I8-I20 HydrophobicContact CD1-CD1 3.95Å; T18-I20 HydrophobicContact CG2-CG1 4.4Å; I20-F23 HydrophobicContact CB-CE2 4.09Å; I20-F23 HydrophobicContact CG2-CE2 3.56Å; I20-F23 HydrophobicContact CG2-CZ 3.8Å; I20-F23 WeakPolarHBondContact O-CE2 3.18Å; I20-I41 HydrophobicContact CD1-CD1 3.83Å; I20-I41 HydrophobicContact CD1-CG1 3.9Å; I20-I41 HydrophobicContact CD1-CG2 3.9Å; I20-F1167 HydrophobicContact CG2-CD1 3.76Å; I20-F1167 HydrophobicContact CG2-CE1 3.55Å; I20-F1167 HydrophobicContact CG2-CG 4.4Å; I20-F1167 HydrophobicContact CG2-CZ 4.03Å; I20-V1178 HydrophobicContact CD1-CB 4.48Å; I20-V1178 HydrophobicContact CD1-CG1 4.41Å; I20-V1178 HydrophobicContact CD1-CG2 3.89Å; I20-V1178 HydrophobicContact CG1-CB 4.26Å; I20-V1178 HydrophobicContact CG1-CG1 4.34Å; I20-V1178 HydrophobicContact CG1-CG2 4.09Å; I20-V1178 HydrophobicContact CG2-CG1 4.33Å
21D91.6Very high92Very high89 Ų8938.6 Ų38.648%0.47620%0.195SC..EExtended strand (participates in β ladder)trans-108.7163.2-177.5-169.824.5000112S5 R1180S5-D21 WeakPolarHBondContact CB-OD1 3.24Å; D21-R1180 WeakPolarHBondContact O-CD 2.95Å
22G89.8Confident91.7Very high23 Ų2339.3 Ų39.324%0.23720%0.203CC..  trans77.537.8171.700000114.2K4 R1180K4-G22 PolarHBondContact O-N 3.38Å; G22-R1180 PolarHBondContact O-NE 2.83Å; G22-R1180 PolarHBondContact O-NH2 3.4Å
23F94Very high91.4Very high11 Ų1145 Ų455%0.04823%0.234CC..  trans-62.1137.2167.6-78.1-96.6000110.5I3 K4 L6 I20 N28 I1151 F1167I3-F23 HydrophobicContact CG2-CD2 4.31Å; I3-F23 HydrophobicContact CG2-CE2 4.46Å; I3-F23 WeakPolarHBondContact O-CB 3.09Å; K4-F23 PolarHBondContact O-N 3.4Å; L6-F23 HydrophobicContact CB-CE2 4.08Å; L6-F23 HydrophobicContact CB-CZ 4.47Å; I20-F23 HydrophobicContact CB-CE2 4.09Å; I20-F23 HydrophobicContact CG2-CE2 3.56Å; I20-F23 HydrophobicContact CG2-CZ 3.8Å; I20-F23 WeakPolarHBondContact O-CE2 3.18Å; F23-N28 WeakPolarHBondContact CA-OD1 3.05Å; F23-N28 HydrophobicContact CD1-CB 4.25Å; F23-I1151 HydrophobicContact CD1-CD1 4.12Å; F23-I1151 HydrophobicContact CD1-CG1 4.42Å; F23-I1151 HydrophobicContact CE1-CD1 3.79Å; F23-I1151 HydrophobicContact CE1-CG1 4.28Å; F23-I1151 HydrophobicContact CE1-CG2 4.48Å; F23-F1167 AromaticContact CD1-CE2 3.78Å; F23-F1167 HydrophobicContact CD1-CE2 3.78Å; F23-F1167 HydrophobicContact CD1-CZ 4.19Å; F23-F1167 HydrophobicContact CD2-CE2 4.48Å; F23-F1167 HydrophobicContact CD2-CZ 4.1Å; F23-F1167 HydrophobicContact CE1-CD2 4.45Å; F23-F1167 AromaticContact CE1-CE2 3.78Å; F23-F1167 HydrophobicContact CE1-CE2 3.78Å; F23-F1167 HydrophobicContact CE1-CZ 4.3Å; F23-F1167 HydrophobicContact CE2-CE2 4.5Å; F23-F1167 HydrophobicContact CE2-CZ 4.23Å; F23-F1167 HydrophobicContact CG-CE2 4.14Å; F23-F1167 HydrophobicContact CG-CZ 4.08Å; F23-F1167 HydrophobicContact CZ-CE2 4.16Å; F23-F1167 HydrophobicContact CZ-CZ 4.32Å
24D92.3Very high91.1Very high34 Ų3450 Ų5018%0.18226%0.26CS..  trans-77.1143.7171.2-176.488.5000110Q26 F27 N28 Q1149 N1164 V1165D24-Q26 PolarHBondContact O-N 3.21Å; D24-Q26 WeakPolarHBondContact OD2-CA 2.91Å; D24-Q26 WeakPolarHBondContact OD2-CB 3.23Å; D24-Q26 PolarHBondContact OD2-N 3.35Å; D24-F27 PolarHBondContact OD2-N 3.46Å; D24-N28 PolarHBondContact N-OD1 2.71Å; D24-N28 PolarHBondContact O-ND2 3.37Å; D24-Q1149 PolarHBondContact O-NE2 3.42Å; D24-N1164 HydrophobicContact CB-CB 3.95Å; D24-N1164 WeakPolarHBondContact OD1-CB 3.27Å; D24-N1164 PolarHBondContact OD1-ND2 2.59Å; D24-N1164 WeakPolarHBondContact OD2-CB 3.44Å; D24-N1164 PolarHBondContact OD2-ND2 3.44Å; D24-V1165 HydrophobicContact CB-CB 4.25Å; D24-V1165 HydrophobicContact CB-CG2 3.77Å
25P89.8Confident90.7Very high57 Ų5753 Ų5337%0.3729%0.29SS..SBendtrans-68.1-13.317926.4-35.2000113.9Y2 Q1149Y2-P25 HydrophobicContact CD1-CB 4Å; Y2-P25 HydrophobicContact CD2-CB 4.19Å; Y2-P25 HydrophobicContact CE1-CB 4.02Å; Y2-P25 HydrophobicContact CE2-CB 4.22Å; Y2-P25 HydrophobicContact CG-CB 4.1Å; P25-Q1149 VanDerWaalsContact O-CA 3.3Å; P25-Q1149 WeakPolarHBondContact O-CA 2.99Å; P25-Q1149 WeakPolarHBondContact O-CB 3.25Å; P25-Q1149 PolarHBondContact O-N 3.43Å
26Q90.6Very high90.7Very high64 Ų6451.8 Ų51.830%0.29928%0.282SS..SBendtrans-114.4-67-175.2-61.4-178.2-28.100113.1D24 K1146 S1148 Q1149 F1150D24-Q26 PolarHBondContact O-N 3.21Å; D24-Q26 WeakPolarHBondContact OD2-CA 2.91Å; D24-Q26 WeakPolarHBondContact OD2-CB 3.23Å; D24-Q26 PolarHBondContact OD2-N 3.35Å; Q26-K1146 PolarHBondContact NE2-O 3.37Å; Q26-S1148 VanDerWaalsContact O-O 3.09Å; Q26-Q1149 CarbonylContact O-C 3.21Å; Q26-Q1149 WeakPolarHBondContact O-CA 3.46Å; Q26-F1150 PolarHBondContact O-N 3.32Å
27F91.8Very high90.6Very high2 Ų245.7 Ų45.71%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-136.1111.5-170.3-169.2-171.9000112.8D24 I1141 K1142 F1150 V1152 M1159 N1162 A1163 N1164 V1165D24-F27 PolarHBondContact OD2-N 3.46Å; F27-I1141 HydrophobicContact CD1-CG2 4.08Å; F27-I1141 HydrophobicContact CD2-CG2 4.26Å; F27-I1141 HydrophobicContact CE1-CB 4.39Å; F27-I1141 HydrophobicContact CE1-CG2 4.16Å; F27-I1141 HydrophobicContact CE2-CG2 4.37Å; F27-I1141 HydrophobicContact CG-CG2 4.15Å; F27-I1141 HydrophobicContact CZ-CG2 4.33Å; F27-K1142 HydrophobicContact CD1-CB 4.23Å; F27-F1150 HydrophobicContact CD2-CB 3.93Å; F27-V1152 HydrophobicContact CD2-CG2 4.31Å; F27-V1152 HydrophobicContact CE2-CB 4.07Å; F27-V1152 HydrophobicContact CE2-CG2 3.61Å; F27-V1152 HydrophobicContact CZ-CG2 4.49Å; F27-M1159 HydrophobicContact CZ-CG 4.46Å; F27-M1159 HydrophobicContact CZ-SD 4.02Å; F27-N1162 HydrophobicContact CE1-CB 3.86Å; F27-A1163 HydrophobicContact CD1-CB 4.18Å; F27-A1163 HydrophobicContact CD2-CB 3.98Å; F27-A1163 HydrophobicContact CE1-CB 4.23Å; F27-A1163 HydrophobicContact CE2-CB 3.99Å; F27-A1163 HydrophobicContact CG-CB 4.05Å; F27-A1163 HydrophobicContact CZ-CB 4.12Å; F27-N1164 WeakPolarHBondContact O-CB 3.38Å; F27-N1164 PolarHBondContact O-N 3.26Å; F27-V1165 PolarHBondContact O-N 3.38Å
28N94.2Very high90.5Very high0 Ų038.2 Ų38.20%023%0.227CC..EExtended strand (participates in β ladder)trans-114133.9176.3-53.1-88.2000109.8F23 D24 F1150 I1151 V1152 V1165 F1167F23-N28 WeakPolarHBondContact CA-OD1 3.05Å; F23-N28 HydrophobicContact CD1-CB 4.25Å; D24-N28 PolarHBondContact N-OD1 2.71Å; D24-N28 PolarHBondContact O-ND2 3.37Å; N28-F1150 WeakPolarHBondContact CA-O 3.18Å; N28-F1150 WeakPolarHBondContact CB-O 3.49Å; N28-F1150 PolarHBondContact N-O 3.03Å; N28-F1150 PolarHBondContact ND2-O 2.71Å; N28-F1150 VanDerWaalsContact ND2-O 3.15Å; N28-I1151 HydrophobicContact CB-CG1 4.41Å; N28-I1151 WeakPolarHBondContact O-CA 3.28Å; N28-V1152 PolarHBondContact O-N 2.62Å; N28-V1165 WeakPolarHBondContact CA-O 3.15Å; N28-F1167 HydrophobicContact CB-CE2 4.33Å
29A93.2Very high90.3Very high0 Ų038 Ų380%023%0.226CC..EExtended strand (participates in β ladder)trans-116.5146.1170.600000111.1V1152 F1160 A1163 V1165 L1166 F1167A29-V1152 CarbonylContact C-O 3.45Å; A29-V1152 VanDerWaalsContact CA-O 3.24Å; A29-V1152 WeakPolarHBondContact CA-O 3.42Å; A29-F1160 HydrophobicContact CB-CB 3.54Å; A29-A1163 HydrophobicContact CB-CB 3.5Å; A29-A1163 VanDerWaalsContact CB-CB 3.5Å; A29-V1165 PolarHBondContact N-O 3.46Å; A29-L1166 HydrophobicContact CB-CD1 3.92Å; A29-L1166 CarbonylContact O-C 3.56Å; A29-L1166 WeakPolarHBondContact O-CA 3.48Å; A29-F1167 PolarHBondContact O-N 3.47Å
30I93.6Very high90.2Very high1 Ų134.1 Ų34.11%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-120.5125.9175.4-56.5173.9000107.2K38 I41 L42 I1151 V1152 V1153 S1154 F1167 T1169I30-K38 HydrophobicContact CG2-CB 3.92Å; I30-I41 HydrophobicContact CD1-CB 4.11Å; I30-I41 HydrophobicContact CD1-CD1 4.18Å; I30-I41 HydrophobicContact CD1-CG2 3.82Å; I30-I41 HydrophobicContact CG2-CD1 4Å; I30-L42 HydrophobicContact CD1-CD2 4.08Å; I30-I1151 HydrophobicContact CD1-CG2 3.65Å; I30-I1151 HydrophobicContact CG1-CG2 4.27Å; I30-V1152 PolarHBondContact N-O 2.81Å; I30-V1153 HydrophobicContact CB-CG2 3.92Å; I30-V1153 HydrophobicContact CD1-CG2 4.34Å; I30-V1153 HydrophobicContact CG2-CG2 4.27Å; I30-V1153 WeakPolarHBondContact O-CA 3.27Å; I30-S1154 PolarHBondContact O-N 3.14Å; I30-S1154 VanDerWaalsContact O-N 3.13Å; I30-F1167 CarbonylContact C-O 3.53Å; I30-F1167 WeakPolarHBondContact CA-O 3.35Å; I30-F1167 HydrophobicContact CG1-CB 4.21Å; I30-F1167 HydrophobicContact CG1-CD2 4.37Å; I30-T1169 HydrophobicContact CG2-CG2 4.02Å
31T91.6Very high90.1Very high17 Ų1734 Ų3410%0.10421%0.209CC..EExtended strand (participates in β ladder)trans-137.6157.9179.5-163.10000111.5S1154 L1166 F1167 K1168 T1169T31-S1154 WeakPolarHBondContact CB-O 3.49Å; T31-S1154 PolarHBondContact OG1-O 3.46Å; T31-L1166 HydrophobicContact CG2-CD1 3.61Å; T31-L1166 HydrophobicContact CG2-CD2 4.26Å; T31-L1166 HydrophobicContact CG2-CG 4.2Å; T31-F1167 PolarHBondContact N-O 3.13Å; T31-K1168 HydrophobicContact CG2-CG 3.79Å; T31-K1168 CarbonylContact O-C 3.6Å; T31-K1168 VanDerWaalsContact O-CA 3.27Å; T31-K1168 WeakPolarHBondContact O-CA 3.49Å; T31-T1169 PolarHBondContact O-N 2.82Å; T31-T1169 PolarHBondContact O-OG1 2.77Å
32G88.7Confident90.1Very high16 Ų1629.8 Ų29.817%0.16519%0.186CC..EExtended strand (participates in β ladder)trans164.4166.7-179.500000111.4L1155G32-L1155 WeakPolarHBondContact O-CD2 3.36Å
33L86.2Confident90.2Very high149 Ų14928.7 Ų28.778%0.7818%0.175SC*.SBendtrans-60.7156.3177.2-64.3174.8000111.2G35 S36L33-G35 PolarHBondContact O-N 2.82Å; L33-S36 WeakPolarHBondContact O-CB 2.96Å; L33-S36 PolarHBondContact O-N 3.37Å; L33-S36 VanDerWaalsContact O-N 3.09Å; L33-S36 PolarHBondContact O-OG 2.54Å
34N84.3Confident90.2Very high124 Ų12428.1 Ų28.166%0.66317%0.173SC*.THydrogen-bonded Turntrans-58137.7173.6-70.5-18.9000110.5S36 K38N34-S36 VanDerWaalsContact C-N 3.31Å; N34-S36 PolarHBondContact O-N 3.15Å; N34-K38 PolarHBondContact OD1-NZ 3.28Å
35G84Confident90.2Very high62 Ų6226.6 Ų26.664%0.63916%0.164SC*.THydrogen-bonded Turntrans81.4-4.1-174.100000115.9L33 G37L33-G35 PolarHBondContact O-N 2.82Å; G35-G37 PolarHBondContact O-N 2.59Å; G35-G37 VanDerWaalsContact O-N 3.13Å
36S87.5Confident90.2Very high2 Ų223.9 Ų23.91%0.01415%0.147CC..SBendtrans-73.71.4-178.163.50000116.4L33 N34 T1169 S1176L33-S36 WeakPolarHBondContact O-CB 2.96Å; L33-S36 PolarHBondContact O-N 3.37Å; L33-S36 VanDerWaalsContact O-N 3.09Å; L33-S36 PolarHBondContact O-OG 2.54Å; N34-S36 VanDerWaalsContact C-N 3.31Å; N34-S36 PolarHBondContact O-N 3.15Å; S36-T1169 PolarHBondContact OG-OG1 3.15Å; S36-S1176 WeakPolarHBondContact O-CB 3.44Å; S36-S1176 PolarHBondContact O-OG 3.03Å
37G87.1Confident90.2Very high7 Ų721 Ų217%0.07213%0.133CC..SBendtrans86.19.4179.700000115.7Y14 G35 S39 N40 I41Y14-G37 PolarHBondContact OH-O 2.68Å; G35-G37 PolarHBondContact O-N 2.59Å; G35-G37 VanDerWaalsContact O-N 3.13Å; G37-S39 PolarHBondContact O-N 3.39Å; G37-N40 WeakPolarHBondContact O-CB 3.44Å; G37-N40 PolarHBondContact O-N 2.94Å; G37-N40 VanDerWaalsContact O-N 3.11Å; G37-I41 PolarHBondContact O-N 3.49Å
38K89.1Confident90.3Very high8 Ų820.9 Ų20.94%0.03513%0.133CC..Hα-helixtrans-49.9-57.1175.545.6179.2-135.3-87.10113.3I30 N34 N40 I41 E1124 V1153 L1155 T1169I30-K38 HydrophobicContact CG2-CB 3.92Å; N34-K38 PolarHBondContact OD1-NZ 3.28Å; K38-N40 VanDerWaalsContact C-N 3.26Å; K38-N40 PolarHBondContact O-N 3.06Å; K38-I41 WeakPolarHBondContact O-CB 3.12Å; K38-I41 PolarHBondContact O-N 3.33Å; K38-I41 VanDerWaalsContact O-N 3.12Å; K38-E1124 WeakPolarHBondContact CE-OE1 3.2Å; K38-E1124 IonicContact NZ-OE1 3.19Å; K38-E1124 PolarHBondContact NZ-OE1 3.2Å; K38-V1153 HydrophobicContact CB-CG1 4.29Å; K38-V1153 HydrophobicContact CD-CG1 3.96Å; K38-V1153 HydrophobicContact CG-CG1 4.33Å; K38-L1155 HydrophobicContact CD-CD2 4.25Å; K38-T1169 HydrophobicContact CB-CG2 4.35Å
39S88.8Confident90Very high18 Ų1820.9 Ų20.913%0.12613%0.133CC..Hα-helixtrans-55.6-35174.3-720000114G37 I41 L42 D43 R58G37-S39 PolarHBondContact O-N 3.39Å; S39-I41 PolarHBondContact O-N 3.39Å; S39-L42 PolarHBondContact O-N 2.9Å; S39-L42 VanDerWaalsContact O-N 3.17Å; S39-D43 PolarHBondContact O-N 2.87Å; S39-R58 VanDerWaalsContact CB-NH2 3.31Å; S39-R58 PolarHBondContact O-NH2 3.21Å; S39-R58 PolarHBondContact OG-NH1 2.91Å; S39-R58 VanDerWaalsContact OG-NH1 3.12Å
40N91.6Very high89.7Confident29 Ų2921.1 Ų21.116%0.15514%0.135CC..Hα-helixtrans-69.5-20.5-179.8-67.3-18.8000112.8K12 S13 Y14 G37 K38 A44K12-N40 HydrophobicContact CB-CB 4.22Å; K12-N40 HydrophobicContact CD-CB 4.25Å; K12-N40 WeakPolarHBondContact CD-OD1 3.35Å; S13-N40 VanDerWaalsContact CB-ND2 3.32Å; S13-N40 WeakPolarHBondContact CB-ND2 3.28Å; S13-N40 PolarHBondContact OG-ND2 3.49Å; Y14-N40 HydrophobicContact CD2-CB 4.29Å; Y14-N40 HydrophobicContact CE2-CB 3.88Å; G37-N40 WeakPolarHBondContact O-CB 3.44Å; G37-N40 PolarHBondContact O-N 2.94Å; G37-N40 VanDerWaalsContact O-N 3.11Å; K38-N40 VanDerWaalsContact C-N 3.26Å; K38-N40 PolarHBondContact O-N 3.06Å; N40-A44 WeakPolarHBondContact O-CB 3.47Å; N40-A44 PolarHBondContact O-N 3.47Å
41I93.2Very high89Confident1 Ų121.5 Ų21.51%0.00514%0.137CC..Hα-helixtrans-68.4-46.7171.9-59.3170.9000109.7L6 I8 Y14 I20 I30 G37 K38 S39 D43 A44 I45 T1169 V1178L6-I41 HydrophobicContact CD2-CG2 3.83Å; I8-I41 HydrophobicContact CD1-CG1 4.33Å; Y14-I41 HydrophobicContact CE2-CG1 4Å; Y14-I41 WeakPolarHBondContact OH-CD1 3.42Å; Y14-I41 WeakPolarHBondContact OH-CG1 3.39Å; I20-I41 HydrophobicContact CD1-CD1 3.83Å; I20-I41 HydrophobicContact CD1-CG1 3.9Å; I20-I41 HydrophobicContact CD1-CG2 3.9Å; I30-I41 HydrophobicContact CD1-CB 4.11Å; I30-I41 HydrophobicContact CD1-CD1 4.18Å; I30-I41 HydrophobicContact CD1-CG2 3.82Å; I30-I41 HydrophobicContact CG2-CD1 4Å; G37-I41 PolarHBondContact O-N 3.49Å; K38-I41 WeakPolarHBondContact O-CB 3.12Å; K38-I41 PolarHBondContact O-N 3.33Å; K38-I41 VanDerWaalsContact O-N 3.12Å; S39-I41 PolarHBondContact O-N 3.39Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.91Å; I41-A44 WeakPolarHBondContact O-CB 3.28Å; I41-A44 PolarHBondContact O-N 2.82Å; I41-I45 WeakPolarHBondContact O-CG1 3.41Å; I41-I45 PolarHBondContact O-N 3.16Å; I41-I45 VanDerWaalsContact O-N 3.13Å; I41-T1169 HydrophobicContact CD1-CG2 3.68Å; I41-V1178 HydrophobicContact CD1-CG2 3.98Å
42L91.2Very high88.2Confident0 Ų025.3 Ų25.30%016%0.161CC..Hα-helixtrans-63.2-42.7176.1-60.2-170.2000110.9I30 S39 A44 I45 C46 I1121 D1123 I1151 V1153I30-L42 HydrophobicContact CD1-CD2 4.08Å; S39-L42 PolarHBondContact O-N 2.9Å; S39-L42 VanDerWaalsContact O-N 3.17Å; L42-A44 VanDerWaalsContact C-N 3.26Å; L42-A44 PolarHBondContact O-N 2.92Å; L42-I45 PolarHBondContact O-N 3.15Å; L42-I45 VanDerWaalsContact O-N 3.16Å; L42-C46 WeakPolarHBondContact O-CB 3.43Å; L42-C46 PolarHBondContact O-N 3.05Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-I1121 HydrophobicContact CB-CG2 4.06Å; L42-I1121 HydrophobicContact CD1-CG2 3.68Å; L42-I1121 HydrophobicContact CD2-CG2 3.57Å; L42-I1121 HydrophobicContact CG-CG2 3.96Å; L42-D1123 HydrophobicContact CD1-CB 3.59Å; L42-I1151 HydrophobicContact CD2-CB 4.41Å; L42-I1151 HydrophobicContact CD2-CG2 3.6Å; L42-V1153 HydrophobicContact CD1-CB 4.1Å; L42-V1153 HydrophobicContact CD1-CG2 3.4Å; L42-V1153 HydrophobicContact CD2-CG2 4.24Å; L42-V1153 HydrophobicContact CG-CG2 3.68Å
43D91.9Very high87.7Confident0 Ų028.2 Ų28.20%017%0.172CC..Hα-helixtrans-59.3-38.5175.5-71.7-11.3000111.9F11 K12 S39 I41 C46 F47 V57 R58F11-D43 HydrophobicContact CE1-CB 3.99Å; F11-D43 HydrophobicContact CZ-CB 4.15Å; K12-D43 HydrophobicContact CD-CB 4.43Å; K12-D43 IonicContact NZ-OD2 3.36Å; K12-D43 PolarHBondContact NZ-OD2 2.86Å; S39-D43 PolarHBondContact O-N 2.87Å; I41-D43 VanDerWaalsContact C-N 3.32Å; I41-D43 PolarHBondContact O-N 2.91Å; D43-C46 PolarHBondContact O-N 3.34Å; D43-F47 WeakPolarHBondContact O-CB 3.25Å; D43-F47 PolarHBondContact O-N 3.33Å; D43-V57 HydrophobicContact CB-CG1 3.57Å; D43-V57 VanDerWaalsContact O-CG1 3.31Å; D43-V57 WeakPolarHBondContact O-CG1 3.42Å; D43-R58 IonicContact OD1-CZ 3.45Å; D43-R58 IonicContact OD1-NE 2.7Å; D43-R58 PolarHBondContact OD1-NE 2.76Å; D43-R58 IonicContact OD1-NH2 3.48Å; D43-R58 PolarHBondContact OD1-NH2 3.48Å; D43-R58 IonicContact OD2-CZ 3.24Å; D43-R58 IonicContact OD2-NE 3.82Å; D43-R58 PolarHBondContact OD2-NE 3.33Å; D43-R58 IonicContact OD2-NH2 2.75Å; D43-R58 PolarHBondContact OD2-NH2 2.63Å
44A93.7Very high87.4Confident0 Ų023 Ų230%015%0.145CC..Hα-helixtrans-63.3-44.4176.100000111.4I8 F11 N40 I41 L42 F47 L48 V79I8-A44 HydrophobicContact CD1-CB 3.79Å; I8-A44 HydrophobicContact CG1-CB 4.04Å; I8-A44 HydrophobicContact CG2-CB 4.43Å; F11-A44 HydrophobicContact CD1-CB 3.98Å; F11-A44 HydrophobicContact CE1-CB 3.8Å; F11-A44 HydrophobicContact CZ-CB 4.28Å; N40-A44 WeakPolarHBondContact O-CB 3.47Å; N40-A44 PolarHBondContact O-N 3.47Å; I41-A44 WeakPolarHBondContact O-CB 3.28Å; I41-A44 PolarHBondContact O-N 2.82Å; L42-A44 VanDerWaalsContact C-N 3.26Å; L42-A44 PolarHBondContact O-N 2.92Å; A44-F47 PolarHBondContact O-N 3.38Å; A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 PolarHBondContact O-N 3.06Å; A44-V79 HydrophobicContact CB-CG1 3.9Å; A44-V79 HydrophobicContact CB-CG2 3.88Å
45I92.4Very high87.1Confident1 Ų120.6 Ų20.61%0.00514%0.138CC..Hα-helixtrans-63.3-49.2176.1-60.4168.7000110.2I3 L6 I41 L42 F47 L48 L49 L1119 I1121 I1151I3-I45 HydrophobicContact CD1-CD1 4.21Å; I3-I45 HydrophobicContact CD1-CG1 4.4Å; I3-I45 HydrophobicContact CD1-CG2 3.85Å; L6-I45 HydrophobicContact CD1-CG1 4.15Å; L6-I45 HydrophobicContact CD2-CD1 4.12Å; L6-I45 HydrophobicContact CD2-CG1 3.67Å; I41-I45 WeakPolarHBondContact O-CG1 3.41Å; I41-I45 PolarHBondContact O-N 3.16Å; I41-I45 VanDerWaalsContact O-N 3.13Å; L42-I45 PolarHBondContact O-N 3.15Å; L42-I45 VanDerWaalsContact O-N 3.16Å; I45-F47 VanDerWaalsContact C-N 3.31Å; I45-F47 PolarHBondContact O-N 3.42Å; I45-L48 WeakPolarHBondContact O-CB 3.28Å; I45-L48 PolarHBondContact O-N 3.14Å; I45-L48 VanDerWaalsContact O-N 3.12Å; I45-L49 HydrophobicContact CG2-CD1 4.04Å; I45-L49 HydrophobicContact CG2-CG 4.29Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 2.98Å; I45-L1119 HydrophobicContact CG2-CD2 4.31Å; I45-I1121 HydrophobicContact CB-CD1 4.16Å; I45-I1121 HydrophobicContact CG2-CD1 3.58Å; I45-I1151 HydrophobicContact CD1-CD1 3.67Å
46C89.7Confident86.8Confident0 Ų020.2 Ų20.20%012%0.119CC..Hα-helixtrans-56.9-43.4176.5-74.10000112.7L42 D43 L49 G50 I51 V57 L144L42-C46 WeakPolarHBondContact O-CB 3.43Å; L42-C46 PolarHBondContact O-N 3.05Å; L42-C46 PolarHBondContact O-SG 2.78Å; D43-C46 PolarHBondContact O-N 3.34Å; C46-L49 PolarHBondContact O-N 3.28Å; C46-G50 PolarHBondContact O-N 3.43Å; C46-I51 HydrophobicContact CB-CD1 3.6Å; C46-I51 HydrophobicContact CB-CG1 4.41Å; C46-I51 WeakPolarHBondContact O-CG1 3.43Å; C46-I51 PolarHBondContact O-N 2.97Å; C46-V57 HydrophobicContact CB-CG2 4.13Å; C46-L144 WeakPolarHBondContact SG-CD1 3.34Å
47F91.5Very high86.5Confident4 Ų420.2 Ų20.22%0.01812%0.119CC..Hα-helixtrans-59.5-48175.1167.9-109.5000110.9F11 D43 A44 I45 G50 V57 L62 L65 V79 K105 I107F11-F47 HydrophobicContact CD2-CD1 4.31Å; F11-F47 HydrophobicContact CE2-CB 3.94Å; F11-F47 AromaticContact CE2-CD1 3.79Å; F11-F47 HydrophobicContact CE2-CD1 3.79Å; F11-F47 HydrophobicContact CE2-CD2 4.47Å; F11-F47 HydrophobicContact CE2-CE1 4.4Å; F11-F47 AromaticContact CE2-CG 3.81Å; F11-F47 HydrophobicContact CE2-CG 3.81Å; F11-F47 HydrophobicContact CZ-CB 4.06Å; F11-F47 HydrophobicContact CZ-CG 4.43Å; D43-F47 WeakPolarHBondContact O-CB 3.25Å; D43-F47 PolarHBondContact O-N 3.33Å; A44-F47 PolarHBondContact O-N 3.38Å; I45-F47 VanDerWaalsContact C-N 3.31Å; I45-F47 PolarHBondContact O-N 3.42Å; F47-G50 PolarHBondContact O-N 2.67Å; F47-V57 HydrophobicContact CB-CG1 4.3Å; F47-L62 HydrophobicContact CE2-CD2 4.3Å; F47-L65 HydrophobicContact CD2-CD1 3.52Å; F47-L65 HydrophobicContact CE2-CD1 3.88Å; F47-L65 HydrophobicContact CG-CD1 4.28Å; F47-V79 HydrophobicContact CD1-CB 4.06Å; F47-V79 HydrophobicContact CD1-CG2 3.72Å; F47-V79 HydrophobicContact CE1-CB 4.37Å; F47-V79 HydrophobicContact CE1-CG2 4.09Å; F47-K105 HydrophobicContact CD1-CB 4.31Å; F47-K105 HydrophobicContact CD1-CD 3.98Å; F47-K105 HydrophobicContact CD1-CG 4.42Å; F47-K105 HydrophobicContact CD2-CD 3.86Å; F47-K105 HydrophobicContact CE1-CB 3.76Å; F47-K105 HydrophobicContact CE1-CD 3.7Å; F47-K105 HydrophobicContact CE1-CG 3.73Å; F47-K105 HydrophobicContact CE2-CD 3.56Å; F47-K105 VanDerWaalsContact CE2-CE 3.44Å; F47-K105 HydrophobicContact CE2-CG 4.14Å; F47-K105 HydrophobicContact CG-CD 4.07Å; F47-K105 HydrophobicContact CZ-CB 4.14Å; F47-K105 HydrophobicContact CZ-CD 3.48Å; F47-K105 VanDerWaalsContact CZ-CD 3.48Å; F47-K105 HydrophobicContact CZ-CG 3.56Å; F47-K105 WeakPolarHBondContact O-CD 3.4Å; F47-K105 WeakPolarHBondContact O-CE 3.42Å; F47-K105 PolarHBondContact O-NZ 2.82Å; F47-I107 HydrophobicContact CE2-CD1 4.44Å; F47-I107 HydrophobicContact CE2-CG1 4.48Å; F47-I107 HydrophobicContact CE2-CG2 3.62Å; F47-I107 HydrophobicContact CZ-CB 4.25Å; F47-I107 HydrophobicContact CZ-CD1 4.29Å; F47-I107 HydrophobicContact CZ-CG1 3.93Å; F47-I107 HydrophobicContact CZ-CG2 3.48Å; F47-I107 VanDerWaalsContact CZ-CG2 3.48Å
48L93Very high86.5Confident0 Ų024.2 Ų24.20%013%0.132CC..Hα-helixtrans-63.3-41.5178.4178.6152.6000112.7A44 I45 G50 V79 A81 F83 I103 Y115 F131A44-L48 WeakPolarHBondContact O-CB 3.33Å; A44-L48 PolarHBondContact O-N 3.06Å; I45-L48 WeakPolarHBondContact O-CB 3.28Å; I45-L48 PolarHBondContact O-N 3.14Å; I45-L48 VanDerWaalsContact O-N 3.12Å; L48-G50 PolarHBondContact O-N 3.49Å; L48-V79 HydrophobicContact CB-CG1 4.13Å; L48-V79 HydrophobicContact CD1-CG1 3.93Å; L48-A81 HydrophobicContact CD1-CB 3.51Å; L48-A81 VanDerWaalsContact CD1-N 3.25Å; L48-A81 HydrophobicContact CD2-CB 4.2Å; L48-F83 HydrophobicContact CD2-CE2 4.2Å; L48-F83 HydrophobicContact CD2-CZ 4.23Å; L48-I103 VanDerWaalsContact CD1-O 3.23Å; L48-I103 WeakPolarHBondContact CD1-O 3.24Å; L48-I103 HydrophobicContact CD2-CB 4.27Å; L48-I103 HydrophobicContact CD2-CG2 4Å; L48-I103 HydrophobicContact CG-CG2 4.25Å; L48-Y115 WeakPolarHBondContact O-CE1 3.3Å; L48-F131 HydrophobicContact CD2-CZ 4.01Å
49L88.6Confident86.4Confident0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-63.4-28.2177.5-67.6176.4000111.7I45 C46 F131 V138 F143 L1119 I1121I45-L49 HydrophobicContact CG2-CD1 4.04Å; I45-L49 HydrophobicContact CG2-CG 4.29Å; I45-L49 WeakPolarHBondContact O-CG 3.46Å; I45-L49 PolarHBondContact O-N 2.98Å; C46-L49 PolarHBondContact O-N 3.28Å; L49-F131 HydrophobicContact CD2-CD1 4.02Å; L49-F131 HydrophobicContact CD2-CD2 4.22Å; L49-F131 HydrophobicContact CD2-CE1 3.59Å; L49-F131 HydrophobicContact CD2-CE2 3.8Å; L49-F131 HydrophobicContact CD2-CG 4.34Å; L49-F131 HydrophobicContact CD2-CZ 3.47Å; L49-F131 VanDerWaalsContact CD2-CZ 3.47Å; L49-V138 VanDerWaalsContact O-CG1 3.23Å; L49-V138 WeakPolarHBondContact O-CG1 3.33Å; L49-V138 WeakPolarHBondContact O-CG2 3.42Å; L49-F143 HydrophobicContact CD1-CE2 3.46Å; L49-F143 VanDerWaalsContact CD1-CE2 3.46Å; L49-F143 HydrophobicContact CD1-CZ 3.66Å; L49-L1119 HydrophobicContact CD1-CD2 4.27Å; L49-I1121 HydrophobicContact CD1-CD1 4.48Å
50G85.2Confident86.2Confident5 Ų526.8 Ų26.85%0.05216%0.156CC..THydrogen-bonded Turntrans101.830.3172.200000115.2C46 F47 L48 T52 Y115 H128 V138C46-G50 PolarHBondContact O-N 3.43Å; F47-G50 PolarHBondContact O-N 2.67Å; L48-G50 PolarHBondContact O-N 3.49Å; G50-T52 PolarHBondContact O-N 3.14Å; G50-Y115 WeakPolarHBondContact CA-OH 3.28Å; G50-H128 PolarHBondContact O-CE1 3.42Å; G50-V138 VanDerWaalsContact O-CG1 3.31Å; G50-V138 WeakPolarHBondContact O-CG1 3.43Å
51I80Confident85.8Confident8 Ų830 Ų304%0.04117%0.173CC..  trans-56.1124.9180-59.1-176.8000110C46 H56 V138 P141 L144C46-I51 HydrophobicContact CB-CD1 3.6Å; C46-I51 HydrophobicContact CB-CG1 4.41Å; C46-I51 WeakPolarHBondContact O-CG1 3.43Å; C46-I51 PolarHBondContact O-N 2.97Å; I51-H56 HydrophobicContact CG2-CB 4Å; I51-V138 HydrophobicContact CG1-CG1 4.1Å; I51-P141 HydrophobicContact CD1-CG 4.45Å; I51-L144 HydrophobicContact CD1-CD2 3.38Å
52T74.5Confident85.5Confident98 Ų9832.4 Ų32.460%0.60119%0.185SC*.SBendtrans-73.3-34.8-175.550.80000112.2G50 L54G50-T52 PolarHBondContact O-N 3.14Å; T52-L54 PolarHBondContact O-N 3.04Å
53N77.7Confident85.2Confident76 Ų7636.4 Ų36.441%0.40620%0.204SC..  trans-85.9102.6177.7-170.9-7.2000111.1S55 H56N53-S55 PolarHBondContact ND2-OG 2.77Å; N53-S55 PolarHBondContact O-N 2.89Å; N53-S55 WeakPolarHBondContact OD1-CB 3Å; N53-S55 PolarHBondContact OD1-N 3.21Å; N53-S55 PolarHBondContact OD1-OG 3.3Å; N53-H56 WeakPolarHBondContact O-CB 3.31Å; N53-H56 PolarHBondContact O-N 3.14Å; N53-H56 VanDerWaalsContact O-N 3.13Å
54L80.4Confident85.1Confident40 Ų4039.9 Ų39.921%0.20922%0.22CC..G310 helixtrans-63.8-21.6-177.4-63.3175.9000114T52 H56 V57 R58 A59 L62T52-L54 PolarHBondContact O-N 3.04Å; L54-H56 PolarHBondContact O-N 3.36Å; L54-V57 CarbonylContact O-C 3.58Å; L54-V57 WeakPolarHBondContact O-CA 3.03Å; L54-V57 PolarHBondContact O-N 3.3Å; L54-R58 PolarHBondContact O-N 3.49Å; L54-A59 CarbonylContact C-O 3.6Å; L54-A59 VanDerWaalsContact CB-O 3.23Å; L54-A59 WeakPolarHBondContact CB-O 3.43Å; L54-A59 PolarHBondContact O-N 2.78Å; L54-A59 VanDerWaalsContact O-O 3.07Å; L54-L62 HydrophobicContact CD1-CD2 4.35Å; L54-L62 HydrophobicContact CD1-CG 4.04Å; L54-L62 HydrophobicContact CD2-CD2 3.56Å; L54-L62 HydrophobicContact CD2-CG 4.17Å
55S78.1Confident84.9Confident73 Ų7339.9 Ų39.951%0.5122%0.22SC..G310 helixtrans-58.8-30.6174.365.90000112.4N53 V57 R58N53-S55 PolarHBondContact ND2-OG 2.77Å; N53-S55 PolarHBondContact O-N 2.89Å; N53-S55 WeakPolarHBondContact OD1-CB 3Å; N53-S55 PolarHBondContact OD1-N 3.21Å; N53-S55 PolarHBondContact OD1-OG 3.3Å; S55-V57 PolarHBondContact O-N 3.5Å; S55-R58 PolarHBondContact O-N 3.14Å; S55-R58 VanDerWaalsContact O-N 3.12Å
56H77.5Confident84.9Confident54 Ų5439.9 Ų39.925%0.2522%0.22CC..G310 helixtrans-68.8-22175.3-64.8-175000112.7I51 N53 L54 L144 M146I51-H56 HydrophobicContact CG2-CB 4Å; N53-H56 WeakPolarHBondContact O-CB 3.31Å; N53-H56 PolarHBondContact O-N 3.14Å; N53-H56 VanDerWaalsContact O-N 3.13Å; L54-H56 PolarHBondContact O-N 3.36Å; H56-L144 HydrophobicContact CB-CD2 4.38Å; H56-M146 WeakPolarHBondContact O-CE 3.4Å
57V82.6Confident84.9Confident2 Ų240.9 Ų40.91%0.01222%0.224CC..G310 helixtrans-101.816.9176.6-158.50000110F11 K12 D43 C46 F47 L54 S55 A59 L65F11-V57 HydrophobicContact CZ-CG1 4.4Å; K12-V57 WeakPolarHBondContact CE-O 3.18Å; K12-V57 PolarHBondContact NZ-O 3.45Å; D43-V57 HydrophobicContact CB-CG1 3.57Å; D43-V57 VanDerWaalsContact O-CG1 3.31Å; D43-V57 WeakPolarHBondContact O-CG1 3.42Å; C46-V57 HydrophobicContact CB-CG2 4.13Å; F47-V57 HydrophobicContact CB-CG1 4.3Å; L54-V57 CarbonylContact O-C 3.58Å; L54-V57 WeakPolarHBondContact O-CA 3.03Å; L54-V57 PolarHBondContact O-N 3.3Å; S55-V57 PolarHBondContact O-N 3.5Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 PolarHBondContact O-N 2.95Å; V57-L65 HydrophobicContact CB-CD2 4.39Å; V57-L65 HydrophobicContact CG1-CD2 3.76Å
58R86.2Confident84.6Confident92 Ų9246.8 Ų46.835%0.34725%0.25SC..THydrogen-bonded Turntrans48.947.5-180-63.2171.6-85.6-124.5-18.2112.9K12 S39 D43 L54 S55 D1123K12-R58 PolarHBondContact NZ-O 2.87Å; S39-R58 VanDerWaalsContact CB-NH2 3.31Å; S39-R58 PolarHBondContact O-NH2 3.21Å; S39-R58 PolarHBondContact OG-NH1 2.91Å; S39-R58 VanDerWaalsContact OG-NH1 3.12Å; D43-R58 IonicContact OD1-CZ 3.45Å; D43-R58 IonicContact OD1-NE 2.7Å; D43-R58 PolarHBondContact OD1-NE 2.76Å; D43-R58 IonicContact OD1-NH2 3.48Å; D43-R58 PolarHBondContact OD1-NH2 3.48Å; D43-R58 IonicContact OD2-CZ 3.24Å; D43-R58 IonicContact OD2-NE 3.82Å; D43-R58 PolarHBondContact OD2-NE 3.33Å; D43-R58 IonicContact OD2-NH2 2.75Å; D43-R58 PolarHBondContact OD2-NH2 2.63Å; L54-R58 PolarHBondContact O-N 3.49Å; S55-R58 PolarHBondContact O-N 3.14Å; S55-R58 VanDerWaalsContact O-N 3.12Å; R58-D1123 IonicContact CZ-OD2 2.7Å; R58-D1123 VanDerWaalsContact CZ-OD2 3.31Å; R58-D1123 IonicContact NH1-OD2 2.68Å; R58-D1123 PolarHBondContact NH1-OD2 3.32Å; R58-D1123 IonicContact NH2-OD2 3.99Å; R58-D1123 PolarHBondContact NH2-OD2 3.21Å
59A86.2Confident84Confident8 Ų849.8 Ų49.87%0.06627%0.27CS..  trans-141.6140.7175.100000109.3L54 V57 E64 L65L54-A59 CarbonylContact C-O 3.6Å; L54-A59 VanDerWaalsContact CB-O 3.23Å; L54-A59 WeakPolarHBondContact CB-O 3.43Å; L54-A59 PolarHBondContact O-N 2.78Å; L54-A59 VanDerWaalsContact O-O 3.07Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 PolarHBondContact O-N 2.95Å; A59-E64 HydrophobicContact CB-CB 4.21Å; A59-L65 HydrophobicContact CB-CD2 3.61Å; A59-L65 HydrophobicContact CB-CG 4.08Å
60A84.6Confident83.5Confident72 Ų7250.4 Ų50.460%0.59528%0.276SS*.SBendtrans-80.9-38170.300000110.3E64A60-E64 PolarHBondContact N-OE2 2.65Å
61N84.6Confident83.2Confident96 Ų9658.5 Ų58.551%0.51331%0.313SS..SBendtrans-129.3153.5-178.8-61.7-59000112.2H63 E64N61-H63 PolarHBondContact O-N 3.45Å; N61-E64 PolarHBondContact N-OE1 3.33Å; N61-E64 PolarHBondContact ND2-OE1 2.85Å; N61-E64 WeakPolarHBondContact O-CB 3.32Å; N61-E64 PolarHBondContact O-N 2.65Å; N61-E64 VanDerWaalsContact O-N 3.15Å
62L85.2Confident83.1Confident51 Ų5160.7 Ų60.727%0.26733%0.332SS..G310 helixtrans-60.5-28.7179-75.2171.2000113.5F47 L54 E64 L65 I107 N113F47-L62 HydrophobicContact CE2-CD2 4.3Å; L54-L62 HydrophobicContact CD1-CD2 4.35Å; L54-L62 HydrophobicContact CD1-CG 4.04Å; L54-L62 HydrophobicContact CD2-CD2 3.56Å; L54-L62 HydrophobicContact CD2-CG 4.17Å; L62-E64 VanDerWaalsContact C-N 3.27Å; L62-E64 PolarHBondContact O-N 3.14Å; L62-L65 HydrophobicContact CD2-CD1 3.84Å; L62-L65 WeakPolarHBondContact O-CB 3.5Å; L62-L65 PolarHBondContact O-N 2.63Å; L62-I107 WeakPolarHBondContact O-CD1 3.26Å; L62-N113 VanDerWaalsContact CD1-ND2 3.25Å; L62-N113 WeakPolarHBondContact CD1-ND2 3.44Å
63H85.8Confident83.5Confident84 Ų8459 Ų5939%0.38933%0.334SS..G310 helixtrans-67.1-26.3179.1-62-48.4000113.3N61 L65 V66 G110N61-H63 PolarHBondContact O-N 3.45Å; H63-L65 PolarHBondContact O-N 3.41Å; H63-V66 WeakPolarHBondContact O-CB 3.45Å; H63-V66 PolarHBondContact O-N 2.98Å; H63-V66 VanDerWaalsContact O-N 3.11Å; H63-G110 PolarHBondContact CE1-N 3.45Å
64E89.1Confident84Confident73 Ų7357.5 Ų57.534%0.34133%0.325SS..G310 helixtrans-70.4-16.6176.5-67.1162.7-149.900112.8A59 A60 N61 L62 V66A59-E64 HydrophobicContact CB-CB 4.21Å; A60-E64 PolarHBondContact N-OE2 2.65Å; N61-E64 PolarHBondContact N-OE1 3.33Å; N61-E64 PolarHBondContact ND2-OE1 2.85Å; N61-E64 WeakPolarHBondContact O-CB 3.32Å; N61-E64 PolarHBondContact O-N 2.65Å; N61-E64 VanDerWaalsContact O-N 3.15Å; L62-E64 VanDerWaalsContact C-N 3.27Å; L62-E64 PolarHBondContact O-N 3.14Å; E64-V66 PolarHBondContact O-N 3.21Å
65L90.7Very high84.5Confident0 Ų059.7 Ų59.70%034%0.337CS..G310 helixtrans-75.2-16173.3-58.7178.8000112.1F11 K12 F47 V57 A59 L62 H63 I107F11-L65 CarbonylContact C-O 3.59Å; F11-L65 WeakPolarHBondContact CA-O 3.33Å; F11-L65 HydrophobicContact CD2-CB 4.23Å; F11-L65 WeakPolarHBondContact CD2-O 3.45Å; F11-L65 HydrophobicContact CE2-CB 3.79Å; F11-L65 HydrophobicContact CE2-CD1 4.27Å; F11-L65 HydrophobicContact CE2-CD2 4.19Å; F11-L65 HydrophobicContact CE2-CG 4.32Å; F11-L65 HydrophobicContact CZ-CB 4.43Å; F11-L65 HydrophobicContact CZ-CD2 4.06Å; K12-L65 PolarHBondContact N-O 3.04Å; F47-L65 HydrophobicContact CD2-CD1 3.52Å; F47-L65 HydrophobicContact CE2-CD1 3.88Å; F47-L65 HydrophobicContact CG-CD1 4.28Å; V57-L65 HydrophobicContact CB-CD2 4.39Å; V57-L65 HydrophobicContact CG1-CD2 3.76Å; A59-L65 HydrophobicContact CB-CD2 3.61Å; A59-L65 HydrophobicContact CB-CG 4.08Å; L62-L65 HydrophobicContact CD2-CD1 3.84Å; L62-L65 WeakPolarHBondContact O-CB 3.5Å; L62-L65 PolarHBondContact O-N 2.63Å; H63-L65 PolarHBondContact O-N 3.41Å; L65-I107 HydrophobicContact CB-CD1 3.61Å; L65-I107 HydrophobicContact CD1-CD1 4.43Å
66V91.5Very high85.1Confident1 Ų160.3 Ų60.31%0.00633%0.331CS..BIsolated β-bridgetrans-81.1140.7174.5-172.40000109.5H63 E64 K68 C69 I74 A77 I107 V109H63-V66 WeakPolarHBondContact O-CB 3.45Å; H63-V66 PolarHBondContact O-N 2.98Å; H63-V66 VanDerWaalsContact O-N 3.11Å; E64-V66 PolarHBondContact O-N 3.21Å; V66-K68 PolarHBondContact O-N 3.12Å; V66-C69 WeakPolarHBondContact O-CA 3.42Å; V66-C69 PolarHBondContact O-N 2.59Å; V66-I74 WeakPolarHBondContact CG1-O 3.03Å; V66-A77 HydrophobicContact CG2-CB 4.1Å; V66-I107 HydrophobicContact CG2-CD1 3.53Å; V66-I107 HydrophobicContact CG2-CG1 4.04Å; V66-V109 HydrophobicContact CB-CG2 4.15Å; V66-V109 HydrophobicContact CG1-CG2 4.16Å; V66-V109 HydrophobicContact CG2-CG2 3.84Å
67Y90Very high85.9Confident22 Ų2257.8 Ų57.89%0.08632%0.319CS..G310 helixtrans-50.7123.5-179.4179.7-95.1000111.7G10 K12 C15 C69 G70 A72 I74G10-Y67 PolarHBondContact O-N 3.26Å; K12-Y67 WeakPolarHBondContact O-CA 3.11Å; K12-Y67 WeakPolarHBondContact O-CD2 3.26Å; C15-Y67 HydrophobicContact CB-CD1 4.22Å; C15-Y67 HydrophobicContact CB-CD2 3.75Å; C15-Y67 HydrophobicContact CB-CE1 4.01Å; C15-Y67 HydrophobicContact CB-CE2 3.61Å; C15-Y67 HydrophobicContact CB-CG 4.1Å; Y67-C69 PolarHBondContact O-N 2.75Å; Y67-C69 VanDerWaalsContact O-N 3.13Å; Y67-G70 PolarHBondContact O-N 2.97Å; Y67-A72 HydrophobicContact CD1-CB 4.06Å; Y67-A72 HydrophobicContact CE1-CB 3.94Å; Y67-I74 HydrophobicContact CD1-CD1 3.93Å; Y67-I74 HydrophobicContact CG-CD1 4.44Å
68K85Confident86.6Confident127 Ų12758.3 Ų58.355%0.55232%0.323SS*.G310 helixtrans47.336-173.2-66-175.6173.9-175.70113.7V66 G70 Q71 A72V66-K68 PolarHBondContact O-N 3.12Å; K68-G70 PolarHBondContact O-N 3.44Å; K68-Q71 WeakPolarHBondContact O-CB 3.35Å; K68-Q71 WeakPolarHBondContact O-CG 3.1Å; K68-Q71 PolarHBondContact O-N 3.2Å; K68-A72 HydrophobicContact CB-CB 4.36Å; K68-A72 HydrophobicContact CD-CB 4.07Å
69C81.5Confident87.1Confident64 Ų6454 Ų5443%0.43231%0.306SS..G310 helixtrans54.724.5-178.7-52.30000114.3V66 Y67V66-C69 WeakPolarHBondContact O-CA 3.42Å; V66-C69 PolarHBondContact O-N 2.59Å; Y67-C69 PolarHBondContact O-N 2.75Å; Y67-C69 VanDerWaalsContact O-N 3.13Å
70G78.1Confident87.6Confident12 Ų1254.5 Ų54.512%0.12431%0.309CS..G310 helixtrans88.9-7.8-175.800000116.1Y67 K68 A72 G73 I74 N75Y67-G70 PolarHBondContact O-N 2.97Å; K68-G70 PolarHBondContact O-N 3.44Å; G70-A72 PolarHBondContact O-N 2.92Å; G70-A72 VanDerWaalsContact O-N 3.15Å; G70-G73 PolarHBondContact O-N 3.38Å; G70-I74 WeakPolarHBondContact CA-O 3.33Å; G70-N75 PolarHBondContact O-OD1 3.45Å
71Q77.7Confident88.2Confident176 Ų17651.1 Ų51.182%0.82228%0.281SS*.THydrogen-bonded Turntrans-65.8-21.5-175.3-66-179.6-19.300114K68 G73K68-Q71 WeakPolarHBondContact O-CB 3.35Å; K68-Q71 WeakPolarHBondContact O-CG 3.1Å; K68-Q71 PolarHBondContact O-N 3.2Å; Q71-G73 VanDerWaalsContact C-N 3.31Å; Q71-G73 PolarHBondContact O-N 2.86Å
72A78.4Confident88.7Confident53 Ų5347.7 Ų47.744%0.43826%0.264SS..THydrogen-bonded Turntrans-90.116.6179.900000114Y67 K68 G70 I74Y67-A72 HydrophobicContact CD1-CB 4.06Å; Y67-A72 HydrophobicContact CE1-CB 3.94Å; K68-A72 HydrophobicContact CB-CB 4.36Å; K68-A72 HydrophobicContact CD-CB 4.07Å; G70-A72 PolarHBondContact O-N 2.92Å; G70-A72 VanDerWaalsContact O-N 3.15Å; A72-I74 PolarHBondContact O-N 2.93Å
73G83.9Confident89.1Confident62 Ų6245.3 Ų45.364%0.63925%0.251SS*.SBendtrans80.8-4.4-177.200000114.7G70 Q71 N75G70-G73 PolarHBondContact O-N 3.38Å; Q71-G73 VanDerWaalsContact C-N 3.31Å; Q71-G73 PolarHBondContact O-N 2.86Å; G73-N75 PolarHBondContact O-N 2.81Å
74I87.1Confident89.4Confident45 Ų4542.5 Ų42.523%0.23124%0.239CC..  trans-89.793.9174.6-60.4178000108.4C15 V66 Y67 G70 A72 K76C15-I74 HydrophobicContact CB-CD1 4.41Å; C15-I74 WeakPolarHBondContact SG-CD1 3.39Å; V66-I74 WeakPolarHBondContact CG1-O 3.03Å; Y67-I74 HydrophobicContact CD1-CD1 3.93Å; Y67-I74 HydrophobicContact CG-CD1 4.44Å; G70-I74 WeakPolarHBondContact CA-O 3.33Å; A72-I74 PolarHBondContact O-N 2.93Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 WeakPolarHBondContact CG2-O 3.03Å
75N90.6Very high89.4Confident86 Ų8639.1 Ų39.146%0.4622%0.223SC..  trans-94.29.7-174.7-64.7-9.5000113.7G70 G73 V108 V109G70-N75 PolarHBondContact O-OD1 3.45Å; G73-N75 PolarHBondContact O-N 2.81Å; N75-V108 CarbonylContact O-C 3.58Å; N75-V108 WeakPolarHBondContact O-CA 3.47Å; N75-V109 HydrophobicContact CB-CB 4.43Å; N75-V109 PolarHBondContact O-N 3.34Å
76K91.9Very high89.3Confident87 Ų8743.1 Ų43.138%0.37825%0.248SC..EExtended strand (participates in β ladder)trans-138.3136.8-176.1-178.8-176.3-174.7-165.80109.7I74 T78 Q106 I107 V108I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 WeakPolarHBondContact CG2-O 3.03Å; K76-T78 VanDerWaalsContact CE-OG1 3.27Å; K76-T78 WeakPolarHBondContact CE-OG1 3.38Å; K76-Q106 VanDerWaalsContact CE-CD 3.42Å; K76-Q106 VanDerWaalsContact NZ-CD 3.31Å; K76-I107 WeakPolarHBondContact CA-O 3.5Å; K76-V108 HydrophobicContact CB-CG2 4.42Å; K76-V108 HydrophobicContact CG-CG2 4.09Å
77A94.3Very high89Confident0 Ų046.5 Ų46.50%027%0.266CS..EExtended strand (participates in β ladder)trans-118.2137164.400000110D9 G10 F11 V66 Q106 I107D9-A77 CarbonylContact O-C 3.54Å; D9-A77 WeakPolarHBondContact O-CA 3.16Å; G10-A77 VanDerWaalsContact O-CB 3.29Å; G10-A77 WeakPolarHBondContact O-CB 3.05Å; F11-A77 HydrophobicContact CB-CB 4.13Å; F11-A77 HydrophobicContact CD2-CB 4.13Å; V66-A77 HydrophobicContact CG2-CB 4.1Å; A77-Q106 WeakPolarHBondContact O-CA 3.46Å; A77-I107 HydrophobicContact CB-CD1 3.93Å; A77-I107 HydrophobicContact CB-CG1 3.7Å; A77-I107 PolarHBondContact N-O 2.63Å; A77-I107 PolarHBondContact O-N 3.44Å
78T95.4Very high88.7Confident14 Ų1449.1 Ų49.19%0.08628%0.278CS..EExtended strand (participates in β ladder)trans-129.2128.4179.5-53.90000108.9D9 K76 T104 Q106D9-T78 PolarHBondContact N-O 3.05Å; D9-T78 PolarHBondContact O-N 3.29Å; K76-T78 VanDerWaalsContact CE-OG1 3.27Å; K76-T78 WeakPolarHBondContact CE-OG1 3.38Å; T78-T104 HydrophobicContact CG2-CG2 3.58Å; T78-Q106 HydrophobicContact CG2-CG 3.67Å
79V97.1Very high88.4Confident0 Ų048 Ų480%029%0.286CS..EExtended strand (participates in β ladder)trans-122.4128.4169.5-176.40000108L6 V7 F11 A44 F47 L48 T104 K105L6-V79 HydrophobicContact CD1-CG1 3.75Å; V7-V79 WeakPolarHBondContact O-CA 3.29Å; F11-V79 HydrophobicContact CB-CG2 4.32Å; F11-V79 HydrophobicContact CD2-CG2 3.78Å; F11-V79 HydrophobicContact CE2-CG2 4.22Å; F11-V79 HydrophobicContact CG-CG2 4.03Å; A44-V79 HydrophobicContact CB-CG1 3.9Å; A44-V79 HydrophobicContact CB-CG2 3.88Å; F47-V79 HydrophobicContact CD1-CB 4.06Å; F47-V79 HydrophobicContact CD1-CG2 3.72Å; F47-V79 HydrophobicContact CE1-CB 4.37Å; F47-V79 HydrophobicContact CE1-CG2 4.09Å; L48-V79 HydrophobicContact CB-CG1 4.13Å; L48-V79 HydrophobicContact CD1-CG1 3.93Å; V79-T104 CarbonylContact O-C 3.56Å; V79-T104 VanDerWaalsContact O-CA 3.28Å; V79-T104 WeakPolarHBondContact O-CA 3.34Å; V79-K105 PolarHBondContact N-O 2.84Å; V79-K105 PolarHBondContact O-N 3.33Å
80S97.1Very high88.2Confident19 Ų1948.9 Ų48.913%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-127.1132.6175.5-48.70000110.1L6 V7 I103 T104L6-S80 CarbonylContact C-O 3.57Å; L6-S80 WeakPolarHBondContact CA-O 3.48Å; V7-S80 PolarHBondContact N-O 3.4Å; V7-S80 PolarHBondContact O-N 3.17Å; S80-I103 CarbonylContact C-O 3.59Å; S80-I103 VanDerWaalsContact CA-O 3.29Å; S80-I103 WeakPolarHBondContact CA-O 3.35Å; S80-T104 VanDerWaalsContact CB-OG1 3.28Å; S80-T104 WeakPolarHBondContact CB-OG1 3.49Å; S80-T104 WeakPolarHBondContact OG-CB 3.23Å; S80-T104 WeakPolarHBondContact OG-CG2 3.28Å; S80-T104 PolarHBondContact OG-OG1 3.18Å
81A96.3Very high88.4Confident1 Ų149.1 Ų49.11%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-119.9133.2173.400000109S5 L6 L48 F83 T102 I103S5-A81 WeakPolarHBondContact O-CA 3.42Å; L6-A81 HydrophobicContact CD1-CB 3.96Å; L48-A81 HydrophobicContact CD1-CB 3.51Å; L48-A81 VanDerWaalsContact CD1-N 3.25Å; L48-A81 HydrophobicContact CD2-CB 4.2Å; A81-F83 HydrophobicContact CB-CD2 4.35Å; A81-F83 HydrophobicContact CB-CE2 3.7Å; A81-F83 HydrophobicContact CB-CZ 4.06Å; A81-T102 WeakPolarHBondContact O-CA 3.42Å; A81-I103 PolarHBondContact N-O 3.45Å; A81-I103 PolarHBondContact O-N 2.86Å
82V95.4Very high88.8Confident24 Ų2440.7 Ų40.715%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-96.1120.5171.4-1760000107.4K4 S5 E100 T102K4-V82 PolarHBondContact N-O 3Å; S5-V82 PolarHBondContact N-O 3.03Å; S5-V82 PolarHBondContact O-N 3.45Å; S5-V82 WeakPolarHBondContact OG-CB 3.23Å; S5-V82 WeakPolarHBondContact OG-CG2 3.38Å; V82-E100 HydrophobicContact CG1-CB 4.28Å; V82-T102 HydrophobicContact CG2-CG2 4.39Å
83F93.7Very high88.9Confident2 Ų247.8 Ų47.81%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-101.7133.6177-65.4-91.8000110.1M1 Y2 I3 L48 A81 E100 L101 I103 F131M1-F83 HydrophobicContact CE-CD1 3.65Å; M1-F83 HydrophobicContact CE-CE1 3.94Å; M1-F83 HydrophobicContact CE-CG 4.17Å; M1-F83 HydrophobicContact CG-CB 3.8Å; M1-F83 HydrophobicContact CG-CD1 4.12Å; M1-F83 HydrophobicContact CG-CG 4.31Å; M1-F83 HydrophobicContact SD-CB 4.07Å; M1-F83 HydrophobicContact SD-CD1 4.21Å; M1-F83 HydrophobicContact SD-CG 4.24Å; Y2-F83 CarbonylContact O-C 3.58Å; Y2-F83 WeakPolarHBondContact O-CA 3.47Å; I3-F83 HydrophobicContact CD1-CE1 4.24Å; I3-F83 HydrophobicContact CG1-CD1 3.89Å; I3-F83 HydrophobicContact CG1-CE1 3.4Å; I3-F83 HydrophobicContact CG1-CZ 4Å; L48-F83 HydrophobicContact CD2-CE2 4.2Å; L48-F83 HydrophobicContact CD2-CZ 4.23Å; A81-F83 HydrophobicContact CB-CD2 4.35Å; A81-F83 HydrophobicContact CB-CE2 3.7Å; A81-F83 HydrophobicContact CB-CZ 4.06Å; F83-E100 WeakPolarHBondContact O-CA 3.3Å; F83-L101 HydrophobicContact CB-CB 4.4Å; F83-L101 PolarHBondContact N-O 3.08Å; F83-L101 PolarHBondContact O-N 3.37Å; F83-I103 HydrophobicContact CD2-CD1 4.13Å; F83-I103 HydrophobicContact CD2-CG1 4.31Å; F83-I103 HydrophobicContact CE2-CB 4.18Å; F83-I103 HydrophobicContact CE2-CD1 3.87Å; F83-I103 HydrophobicContact CE2-CG1 4.19Å; F83-F131 HydrophobicContact CE1-CE1 4.41Å; F83-F131 HydrophobicContact CE2-CE1 4.24Å; F83-F131 HydrophobicContact CE2-CZ 4.32Å; F83-F131 AromaticContact CZ-CE1 3.87Å; F83-F131 HydrophobicContact CZ-CE1 3.87Å; F83-F131 HydrophobicContact CZ-CZ 4.15Å
84D92Very high89Confident25 Ų2546.7 Ų46.713%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-73.4127.6168.5-171.1-74.1000109.7M1 Y2 V86M1-D84 WeakPolarHBondContact CA-O 3.34Å; M1-D84 WeakPolarHBondContact CG-O 3.3Å; Y2-D84 HydrophobicContact CD1-CB 3.84Å; Y2-D84 HydrophobicContact CE1-CB 3.41Å; Y2-D84 VanDerWaalsContact CE1-CB 3.41Å; Y2-D84 HydrophobicContact CE2-CB 4.19Å; Y2-D84 HydrophobicContact CG-CB 4.4Å; Y2-D84 PolarHBondContact N-O 2.89Å; Y2-D84 PolarHBondContact O-N 3.17Å; D84-V86 WeakPolarHBondContact OD1-CG2 3.46Å; D84-V86 PolarHBondContact OD1-N 3.05Å; D84-V86 VanDerWaalsContact OD1-N 3.16Å
85N90.4Very high89Confident1 Ų145.5 Ų45.51%0.00524%0.242CC..  trans-130.131.5-176.9-161.348.8000112.1K88 S91 P92 Y95 F98 D99 L101N85-K88 PolarHBondContact O-NZ 3.45Å; N85-S91 PolarHBondContact ND2-OG 3.25Å; N85-S91 VanDerWaalsContact OD1-CA 3.25Å; N85-S91 WeakPolarHBondContact OD1-CA 3.49Å; N85-S91 WeakPolarHBondContact OD1-CB 3.22Å; N85-S91 PolarHBondContact OD1-OG 2.96Å; N85-P92 WeakPolarHBondContact OD1-CD 3.32Å; N85-Y95 PolarHBondContact ND2-O 3.38Å; N85-Y95 VanDerWaalsContact ND2-O 3.08Å; N85-F98 WeakPolarHBondContact CB-O 3.32Å; N85-F98 PolarHBondContact ND2-O 3.07Å; N85-D99 CarbonylContact C-O 3.11Å; N85-D99 VanDerWaalsContact C-O 3.3Å; N85-D99 VanDerWaalsContact CA-O 3.3Å; N85-D99 WeakPolarHBondContact CA-O 3.41Å; N85-D99 PolarHBondContact N-O 3.3Å; N85-L101 HydrophobicContact CB-CD1 4.18Å; N85-L101 HydrophobicContact CB-CG 4.23Å
86V87.8Confident88.8Confident85 Ų8545 Ų4552%0.51524%0.237SC..  trans-70.4-41.5179.7177.20000111.2D84 K88 D99D84-V86 WeakPolarHBondContact OD1-CG2 3.46Å; D84-V86 PolarHBondContact OD1-N 3.05Å; D84-V86 VanDerWaalsContact OD1-N 3.16Å; V86-K88 WeakPolarHBondContact O-CE 3.21Å; V86-K88 PolarHBondContact O-N 3.09Å; V86-K88 VanDerWaalsContact O-N 3.09Å; V86-D99 HydrophobicContact CG2-CB 4.34Å; V86-D99 PolarHBondContact N-O 3.34Å
87D85.3Confident88.7Confident71 Ų7146.7 Ų46.738%0.3825%0.246SC..  trans-75.398.2175.8-176.60.1000111.1S89 Q90 S91D87-S89 VanDerWaalsContact CG-OG 3.28Å; D87-S89 PolarHBondContact O-N 3.45Å; D87-S89 WeakPolarHBondContact OD1-CB 3.29Å; D87-S89 PolarHBondContact OD1-N 3.5Å; D87-S89 PolarHBondContact OD1-OG 2.84Å; D87-S89 PolarHBondContact OD2-OG 3.06Å; D87-Q90 PolarHBondContact O-N 2.78Å; D87-Q90 PolarHBondContact OD2-NE2 3.45Å; D87-S91 PolarHBondContact O-N 3.23Å
88K83.2Confident88.5Confident78 Ų7850.6 Ų50.634%0.33926%0.263SS..G310 helixtrans-65.9-21.6-176.4-51.5-50.5178.6-178.40113.5N85 V86 Q90 S91 E96 F98 D99N85-K88 PolarHBondContact O-NZ 3.45Å; V86-K88 WeakPolarHBondContact O-CE 3.21Å; V86-K88 PolarHBondContact O-N 3.09Å; V86-K88 VanDerWaalsContact O-N 3.09Å; K88-Q90 PolarHBondContact O-N 3.23Å; K88-S91 WeakPolarHBondContact O-CB 3.48Å; K88-S91 PolarHBondContact O-N 2.91Å; K88-E96 VanDerWaalsContact CD-O 3.25Å; K88-E96 WeakPolarHBondContact CD-O 3.25Å; K88-E96 WeakPolarHBondContact CE-O 3.36Å; K88-E96 PolarHBondContact NZ-O 3.45Å; K88-F98 PolarHBondContact NZ-O 2.84Å; K88-F98 VanDerWaalsContact NZ-O 3.13Å; K88-D99 WeakPolarHBondContact CE-OD1 3.21Å; K88-D99 IonicContact NZ-OD1 3.91Å; K88-D99 PolarHBondContact NZ-OD1 3.42Å
89S78.9Confident88.4Confident103 Ų10354.5 Ų54.572%0.7228%0.283SS*.G310 helixtrans-68.2-20.7174.973.60000112.7D87D87-S89 VanDerWaalsContact CG-OG 3.28Å; D87-S89 PolarHBondContact O-N 3.45Å; D87-S89 WeakPolarHBondContact OD1-CB 3.29Å; D87-S89 PolarHBondContact OD1-N 3.5Å; D87-S89 PolarHBondContact OD1-OG 2.84Å; D87-S89 PolarHBondContact OD2-OG 3.06Å
90Q77Confident88.1Confident83 Ų8358.6 Ų58.639%0.38830%0.302SS..G310 helixtrans-112.512.3178.1-56.8-178.714.500112.5D87 K88 V134D87-Q90 PolarHBondContact O-N 2.78Å; D87-Q90 PolarHBondContact OD2-NE2 3.45Å; K88-Q90 PolarHBondContact O-N 3.23Å; Q90-V134 WeakPolarHBondContact O-CG1 3.34Å
91S83.4Confident87.9Confident16 Ų1657.7 Ų57.711%0.11230%0.296CS..PPolyproline II helixtrans-73.2140.6179.8176.60000110.5N85 D87 K88 E96N85-S91 PolarHBondContact ND2-OG 3.25Å; N85-S91 VanDerWaalsContact OD1-CA 3.25Å; N85-S91 WeakPolarHBondContact OD1-CA 3.49Å; N85-S91 WeakPolarHBondContact OD1-CB 3.22Å; N85-S91 PolarHBondContact OD1-OG 2.96Å; D87-S91 PolarHBondContact O-N 3.23Å; K88-S91 WeakPolarHBondContact O-CB 3.48Å; K88-S91 PolarHBondContact O-N 2.91Å; S91-E96 WeakPolarHBondContact OG-CA 3.24Å; S91-E96 PolarHBondContact OG-N 3.48Å
92P84.6Confident87.9Confident0 Ų059.8 Ų59.80%031%0.309CS..PPolyproline II helixtrans-62.6146.2168.122.8-26000110.3M1 N85 G94 Y95 L101 L130 S133 V134M1-P92 HydrophobicContact SD-CG 4.35Å; N85-P92 WeakPolarHBondContact OD1-CD 3.32Å; P92-G94 PolarHBondContact O-N 3.17Å; P92-Y95 HydrophobicContact CB-CD2 4.24Å; P92-Y95 HydrophobicContact CG-CD2 4.18Å; P92-Y95 HydrophobicContact CG-CG 4.45Å; P92-Y95 PolarHBondContact O-N 2.91Å; P92-L101 HydrophobicContact CG-CD1 3.5Å; P92-L130 HydrophobicContact CB-CD2 4.1Å; P92-L130 HydrophobicContact CB-CG 3.83Å; P92-L130 HydrophobicContact CG-CD2 4.1Å; P92-L130 HydrophobicContact CG-CG 4.07Å; P92-S133 WeakPolarHBondContact CA-OG 3.35Å; P92-S133 WeakPolarHBondContact CB-OG 3.4Å; P92-V134 HydrophobicContact CB-CG1 3.9Å; P92-V134 HydrophobicContact CG-CG1 4.31Å
93Y81.7Confident87.9Confident202 Ų20258.7 Ų58.779%0.79230%0.302SS*.THydrogen-bonded Turntrans-60.4125-174.6-174.7-97.4000111.6Y95 E96 S133Y93-Y95 WeakPolarHBondContact O-CD2 3.33Å; Y93-E96 WeakPolarHBondContact CA-OE1 3.3Å; Y93-S133 PolarHBondContact N-OG 3.48Å
94G85.3Confident88Confident38 Ų3859.1 Ų59.139%0.39231%0.305SS..THydrogen-bonded Turntrans88.27.8179.300000115.5P92 E96 Q97P92-G94 PolarHBondContact O-N 3.17Å; G94-E96 VanDerWaalsContact C-OE2 3.26Å; G94-E96 WeakPolarHBondContact CA-OE2 3.24Å; G94-E96 PolarHBondContact N-OE1 3.4Å; G94-E96 PolarHBondContact N-OE2 2.95Å; G94-Q97 PolarHBondContact O-NE2 3.21Å; G94-Q97 PolarHBondContact O-OE1 2.87Å
95Y88.2Confident88.2Confident21 Ų2159 Ų598%0.08230%0.303CS..  trans-124.213.1178.8-64.2-84000113.4N85 P92 Y93 Q97 F98 L101 I117 R126 L130N85-Y95 PolarHBondContact ND2-O 3.38Å; N85-Y95 VanDerWaalsContact ND2-O 3.08Å; P92-Y95 HydrophobicContact CB-CD2 4.24Å; P92-Y95 HydrophobicContact CG-CD2 4.18Å; P92-Y95 HydrophobicContact CG-CG 4.45Å; P92-Y95 PolarHBondContact O-N 2.91Å; Y93-Y95 WeakPolarHBondContact O-CD2 3.33Å; Y95-Q97 PolarHBondContact O-N 2.95Å; Y95-Q97 VanDerWaalsContact O-N 3.15Å; Y95-F98 AromaticContact CD1-CD2 3.95Å; Y95-F98 HydrophobicContact CD1-CD2 3.95Å; Y95-F98 HydrophobicContact CD1-CE2 4.08Å; Y95-F98 PolarHBondContact O-N 3.08Å; Y95-L101 HydrophobicContact CD1-CD2 3.61Å; Y95-L101 HydrophobicContact CE1-CD2 4.49Å; Y95-L101 HydrophobicContact CG-CD1 4.31Å; Y95-L101 HydrophobicContact CG-CD2 4.01Å; Y95-I117 HydrophobicContact CE1-CG2 3.75Å; Y95-I117 WeakPolarHBondContact OH-CD1 3.41Å; Y95-R126 PolarHBondContact OH-NE 3.47Å; Y95-R126 PolarHBondContact OH-NH2 2.92Å; Y95-L130 HydrophobicContact CD2-CD1 4.08Å; Y95-L130 HydrophobicContact CD2-CG 4.43Å; Y95-L130 HydrophobicContact CE1-CD1 4.47Å; Y95-L130 HydrophobicContact CE2-CD1 3.62Å; Y95-L130 HydrophobicContact CE2-CG 4.15Å
96E86.8Confident88.4Confident75 Ų7561 Ų6135%0.3531%0.313SS..THydrogen-bonded Turntrans-59.8-28.7-177.2-58.480.8-179.400112K88 S91 Y93 G94 F98K88-E96 VanDerWaalsContact CD-O 3.25Å; K88-E96 WeakPolarHBondContact CD-O 3.25Å; K88-E96 WeakPolarHBondContact CE-O 3.36Å; K88-E96 PolarHBondContact NZ-O 3.45Å; S91-E96 WeakPolarHBondContact OG-CA 3.24Å; S91-E96 PolarHBondContact OG-N 3.48Å; Y93-E96 WeakPolarHBondContact CA-OE1 3.3Å; G94-E96 VanDerWaalsContact C-OE2 3.26Å; G94-E96 WeakPolarHBondContact CA-OE2 3.24Å; G94-E96 PolarHBondContact N-OE1 3.4Å; G94-E96 PolarHBondContact N-OE2 2.95Å; E96-F98 PolarHBondContact O-N 3.13Å
97Q89.3Confident88.5Confident122 Ų12257 Ų5757%0.5729%0.289SS*.THydrogen-bonded Turntrans-70.9-12.8177.667.3-81.610.700114.6G94 Y95G94-Q97 PolarHBondContact O-NE2 3.21Å; G94-Q97 PolarHBondContact O-OE1 2.87Å; Y95-Q97 PolarHBondContact O-N 2.95Å; Y95-Q97 VanDerWaalsContact O-N 3.15Å
98F90.7Very high88.8Confident82 Ų8256.2 Ų56.236%0.3629%0.286SS..  trans-105.2127.2179.6-57-72.2000109.9N85 K88 Y95 E96 E100 L101N85-F98 WeakPolarHBondContact CB-O 3.32Å; N85-F98 PolarHBondContact ND2-O 3.07Å; K88-F98 PolarHBondContact NZ-O 2.84Å; K88-F98 VanDerWaalsContact NZ-O 3.13Å; Y95-F98 AromaticContact CD1-CD2 3.95Å; Y95-F98 HydrophobicContact CD1-CD2 3.95Å; Y95-F98 HydrophobicContact CD1-CE2 4.08Å; Y95-F98 PolarHBondContact O-N 3.08Å; E96-F98 PolarHBondContact O-N 3.13Å; F98-E100 VanDerWaalsContact C-N 3.31Å; F98-L101 HydrophobicContact CB-CD2 3.94Å; F98-L101 HydrophobicContact CD2-CD2 4.09Å; F98-L101 HydrophobicContact CG-CD2 4.28Å
99D91.4Very high88.8Confident96 Ų9654.9 Ų54.951%0.51328%0.284SS..SBendtrans-78.4-19.8174.4-66.3-21.2000112.3N85 V86 K88N85-D99 CarbonylContact C-O 3.11Å; N85-D99 VanDerWaalsContact C-O 3.3Å; N85-D99 VanDerWaalsContact CA-O 3.3Å; N85-D99 WeakPolarHBondContact CA-O 3.41Å; N85-D99 PolarHBondContact N-O 3.3Å; V86-D99 HydrophobicContact CG2-CB 4.34Å; V86-D99 PolarHBondContact N-O 3.34Å; K88-D99 WeakPolarHBondContact CE-OD1 3.21Å; K88-D99 IonicContact NZ-OD1 3.91Å; K88-D99 PolarHBondContact NZ-OD1 3.42Å
100E92.5Very high88.8Confident86 Ų8653.7 Ų53.740%0.40229%0.288SS..EExtended strand (participates in β ladder)trans-137143.2174.6-65-175.1166.200110.6K4 V82 F83 F98K4-E100 IonicContact NZ-OE1 3.77Å; K4-E100 PolarHBondContact NZ-OE1 2.92Å; V82-E100 HydrophobicContact CG1-CB 4.28Å; F83-E100 WeakPolarHBondContact O-CA 3.3Å; F98-E100 VanDerWaalsContact C-N 3.31Å
101L92.5Very high89.1Confident1 Ų151.5 Ų51.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-123118.5177.8-68.6170000110.1F83 N85 P92 Y95 F98F83-L101 HydrophobicContact CB-CB 4.4Å; F83-L101 PolarHBondContact N-O 3.08Å; F83-L101 PolarHBondContact O-N 3.37Å; N85-L101 HydrophobicContact CB-CD1 4.18Å; N85-L101 HydrophobicContact CB-CG 4.23Å; P92-L101 HydrophobicContact CG-CD1 3.5Å; Y95-L101 HydrophobicContact CD1-CD2 3.61Å; Y95-L101 HydrophobicContact CE1-CD2 4.49Å; Y95-L101 HydrophobicContact CG-CD1 4.31Å; Y95-L101 HydrophobicContact CG-CD2 4.01Å; F98-L101 HydrophobicContact CB-CD2 3.94Å; F98-L101 HydrophobicContact CD2-CD2 4.09Å; F98-L101 HydrophobicContact CG-CD2 4.28Å
102T95.2Very high89Confident45 Ų4561.4 Ų61.428%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-97117.1172.9-55.60000109.5A81 V82 I117 N118A81-T102 WeakPolarHBondContact O-CA 3.42Å; V82-T102 HydrophobicContact CG2-CG2 4.39Å; T102-I117 CarbonylContact O-C 3.55Å; T102-I117 WeakPolarHBondContact O-CA 3.34Å; T102-N118 PolarHBondContact N-OD1 2.81Å; T102-N118 PolarHBondContact O-N 2.76Å
103I95.7Very high89.1Confident0 Ų065 Ų650%034%0.342CS..EExtended strand (participates in β ladder)trans-108.6128.1173.2-59.5175.9000107.5L48 S80 A81 F83 L116 V127 L130 F131L48-I103 VanDerWaalsContact CD1-O 3.23Å; L48-I103 WeakPolarHBondContact CD1-O 3.24Å; L48-I103 HydrophobicContact CD2-CB 4.27Å; L48-I103 HydrophobicContact CD2-CG2 4Å; L48-I103 HydrophobicContact CG-CG2 4.25Å; S80-I103 CarbonylContact C-O 3.59Å; S80-I103 VanDerWaalsContact CA-O 3.29Å; S80-I103 WeakPolarHBondContact CA-O 3.35Å; A81-I103 PolarHBondContact N-O 3.45Å; A81-I103 PolarHBondContact O-N 2.86Å; F83-I103 HydrophobicContact CD2-CD1 4.13Å; F83-I103 HydrophobicContact CD2-CG1 4.31Å; F83-I103 HydrophobicContact CE2-CB 4.18Å; F83-I103 HydrophobicContact CE2-CD1 3.87Å; F83-I103 HydrophobicContact CE2-CG1 4.19Å; I103-L116 WeakPolarHBondContact CA-O 3.33Å; I103-V127 HydrophobicContact CG2-CG1 4.32Å; I103-L130 HydrophobicContact CD1-CD1 4.24Å; I103-L130 HydrophobicContact CD1-CD2 3.84Å; I103-F131 HydrophobicContact CD1-CE1 3.65Å; I103-F131 HydrophobicContact CD1-CE2 4.12Å; I103-F131 HydrophobicContact CD1-CZ 3.33Å; I103-F131 HydrophobicContact CG2-CZ 4.36Å
104T97Very high89.6Confident11 Ų1160.7 Ų60.77%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-125.8136179.3-57.50000110T78 V79 S80 Q106 Y115 L116T78-T104 HydrophobicContact CG2-CG2 3.58Å; V79-T104 CarbonylContact O-C 3.56Å; V79-T104 VanDerWaalsContact O-CA 3.28Å; V79-T104 WeakPolarHBondContact O-CA 3.34Å; S80-T104 VanDerWaalsContact CB-OG1 3.28Å; S80-T104 WeakPolarHBondContact CB-OG1 3.49Å; S80-T104 WeakPolarHBondContact OG-CB 3.23Å; S80-T104 WeakPolarHBondContact OG-CG2 3.28Å; S80-T104 PolarHBondContact OG-OG1 3.18Å; T104-Q106 HydrophobicContact CG2-CG 4.02Å; T104-Y115 CarbonylContact O-C 3.56Å; T104-Y115 WeakPolarHBondContact O-CA 3.32Å; T104-L116 HydrophobicContact CG2-CD1 4.06Å; T104-L116 PolarHBondContact N-O 3.5Å; T104-L116 PolarHBondContact O-N 3.1Å
105K95.4Very high90.1Very high23 Ų2359.3 Ų59.310%0.131%0.311CS..EExtended strand (participates in β ladder)trans-119.6133.4170.4-167-179.9-176.6168.60110.2F47 V79 Y115F47-K105 HydrophobicContact CD1-CB 4.31Å; F47-K105 HydrophobicContact CD1-CD 3.98Å; F47-K105 HydrophobicContact CD1-CG 4.42Å; F47-K105 HydrophobicContact CD2-CD 3.86Å; F47-K105 HydrophobicContact CE1-CB 3.76Å; F47-K105 HydrophobicContact CE1-CD 3.7Å; F47-K105 HydrophobicContact CE1-CG 3.73Å; F47-K105 HydrophobicContact CE2-CD 3.56Å; F47-K105 VanDerWaalsContact CE2-CE 3.44Å; F47-K105 HydrophobicContact CE2-CG 4.14Å; F47-K105 HydrophobicContact CG-CD 4.07Å; F47-K105 HydrophobicContact CZ-CB 4.14Å; F47-K105 HydrophobicContact CZ-CD 3.48Å; F47-K105 VanDerWaalsContact CZ-CD 3.48Å; F47-K105 HydrophobicContact CZ-CG 3.56Å; F47-K105 WeakPolarHBondContact O-CD 3.4Å; F47-K105 WeakPolarHBondContact O-CE 3.42Å; F47-K105 PolarHBondContact O-NZ 2.82Å; V79-K105 PolarHBondContact N-O 2.84Å; V79-K105 PolarHBondContact O-N 3.33Å; K105-Y115 HydrophobicContact CB-CD1 3.86Å; K105-Y115 HydrophobicContact CB-CE1 3.64Å; K105-Y115 HydrophobicContact CD-CD1 4.35Å; K105-Y115 HydrophobicContact CD-CE1 3.47Å; K105-Y115 VanDerWaalsContact CD-CE1 3.47Å; K105-Y115 HydrophobicContact CD-CE2 4.33Å; K105-Y115 VanDerWaalsContact CD-CZ 3.48Å; K105-Y115 WeakPolarHBondContact CD-OH 3.37Å; K105-Y115 VanDerWaalsContact CE-OH 3.27Å; K105-Y115 WeakPolarHBondContact CE-OH 3.2Å; K105-Y115 HydrophobicContact CG-CD1 3.89Å; K105-Y115 HydrophobicContact CG-CE1 3.52Å; K105-Y115 HydrophobicContact CG-CE2 4.47Å; K105-Y115 PolarHBondContact NZ-OH 3.1Å
106Q93.8Very high90.5Very high43 Ų4359.6 Ų59.620%0.20131%0.313CS..EExtended strand (participates in β ladder)trans-125.7135.5-179-67.3-178.1500110.9K76 A77 T78 T104 N113 K114K76-Q106 VanDerWaalsContact CE-CD 3.42Å; K76-Q106 VanDerWaalsContact NZ-CD 3.31Å; A77-Q106 WeakPolarHBondContact O-CA 3.46Å; T78-Q106 HydrophobicContact CG2-CG 3.67Å; T104-Q106 HydrophobicContact CG2-CG 4.02Å; Q106-N113 VanDerWaalsContact O-CA 3.32Å; Q106-N113 WeakPolarHBondContact O-CA 3.48Å; Q106-K114 PolarHBondContact N-O 3.48Å; Q106-K114 PolarHBondContact O-N 2.93Å
107I91.6Very high90.8Very high2 Ų256.2 Ų56.21%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-121.5142.1169.552.3165.4000109.1F47 L62 L65 V66 K76 A77 N113F47-I107 HydrophobicContact CE2-CD1 4.44Å; F47-I107 HydrophobicContact CE2-CG1 4.48Å; F47-I107 HydrophobicContact CE2-CG2 3.62Å; F47-I107 HydrophobicContact CZ-CB 4.25Å; F47-I107 HydrophobicContact CZ-CD1 4.29Å; F47-I107 HydrophobicContact CZ-CG1 3.93Å; F47-I107 HydrophobicContact CZ-CG2 3.48Å; F47-I107 VanDerWaalsContact CZ-CG2 3.48Å; L62-I107 WeakPolarHBondContact O-CD1 3.26Å; L65-I107 HydrophobicContact CB-CD1 3.61Å; L65-I107 HydrophobicContact CD1-CD1 4.43Å; V66-I107 HydrophobicContact CG2-CD1 3.53Å; V66-I107 HydrophobicContact CG2-CG1 4.04Å; K76-I107 WeakPolarHBondContact CA-O 3.5Å; A77-I107 HydrophobicContact CB-CD1 3.93Å; A77-I107 HydrophobicContact CB-CG1 3.7Å; A77-I107 PolarHBondContact N-O 2.63Å; A77-I107 PolarHBondContact O-N 3.44Å; I107-N113 HydrophobicContact CG2-CB 4.22Å; I107-N113 VanDerWaalsContact CG2-OD1 3.31Å; I107-N113 WeakPolarHBondContact CG2-OD1 3.15Å
108V89.6Confident91Very high53 Ų5353.2 Ų53.232%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-128131.2177.5-179.90000107.6N75 K76 G110 G111N75-V108 CarbonylContact O-C 3.58Å; N75-V108 WeakPolarHBondContact O-CA 3.47Å; K76-V108 HydrophobicContact CB-CG2 4.42Å; K76-V108 HydrophobicContact CG-CG2 4.09Å; V108-G110 PolarHBondContact O-N 2.64Å; V108-G111 PolarHBondContact O-N 2.87Å
109V83.8Confident90.9Very high51 Ų5152.1 Ų52.131%0.30930%0.297SS..THydrogen-bonded Turntrans-61.6119.6177.4-176.20000109V66 N75 G111V66-V109 HydrophobicContact CB-CG2 4.15Å; V66-V109 HydrophobicContact CG1-CG2 4.16Å; V66-V109 HydrophobicContact CG2-CG2 3.84Å; N75-V109 HydrophobicContact CB-CB 4.43Å; N75-V109 PolarHBondContact O-N 3.34Å; V109-G111 PolarHBondContact O-N 2.91Å
110G80.3Confident90.9Very high78 Ų7851.6 Ų51.680%0.80430%0.297SS*.THydrogen-bonded Turntrans72.91.2-172.100000116.4H63 V108H63-G110 PolarHBondContact CE1-N 3.45Å; V108-G110 PolarHBondContact O-N 2.64Å
111G81.7Confident91Very high37 Ų3752.8 Ų52.838%0.38131%0.307SS..SBendtrans-106.7-177.5-17700000114.7V108 V109V108-G111 PolarHBondContact O-N 2.87Å; V109-G111 PolarHBondContact O-N 2.91Å
112R81.1Confident91Very high223 Ų22353.5 Ų53.584%0.84231%0.313SS*.  trans-87.6133.1174.3-65.9-174.4-175179.22.2111.1
113N87.7Confident90.7Very high75 Ų7555.7 Ų55.740%0.40133%0.326SS..  trans-74.8143.4173.5-51-31.5000110.1L62 Q106 I107L62-N113 VanDerWaalsContact CD1-ND2 3.25Å; L62-N113 WeakPolarHBondContact CD1-ND2 3.44Å; Q106-N113 VanDerWaalsContact O-CA 3.32Å; Q106-N113 WeakPolarHBondContact O-CA 3.48Å; I107-N113 HydrophobicContact CG2-CB 4.22Å; I107-N113 VanDerWaalsContact CG2-OD1 3.31Å; I107-N113 WeakPolarHBondContact CG2-OD1 3.15Å
114K92.2Very high90.3Very high112 Ų11259.2 Ų59.249%0.48735%0.348SS..EExtended strand (participates in β ladder)trans-139.6147-178.4-61.1-178.6-174.7176.70110.9Q106Q106-K114 PolarHBondContact N-O 3.48Å; Q106-K114 PolarHBondContact O-N 2.93Å
115Y96.3Very high89.8Confident10 Ų1063 Ų634%0.03937%0.371CS..EExtended strand (participates in β ladder)trans-103.4146.3165.7-80.6-75.5000110.1L48 G50 T104 K105 N121 A122 T124 V127L48-Y115 WeakPolarHBondContact O-CE1 3.3Å; G50-Y115 WeakPolarHBondContact CA-OH 3.28Å; T104-Y115 CarbonylContact O-C 3.56Å; T104-Y115 WeakPolarHBondContact O-CA 3.32Å; K105-Y115 HydrophobicContact CB-CD1 3.86Å; K105-Y115 HydrophobicContact CB-CE1 3.64Å; K105-Y115 HydrophobicContact CD-CD1 4.35Å; K105-Y115 HydrophobicContact CD-CE1 3.47Å; K105-Y115 VanDerWaalsContact CD-CE1 3.47Å; K105-Y115 HydrophobicContact CD-CE2 4.33Å; K105-Y115 VanDerWaalsContact CD-CZ 3.48Å; K105-Y115 WeakPolarHBondContact CD-OH 3.37Å; K105-Y115 VanDerWaalsContact CE-OH 3.27Å; K105-Y115 WeakPolarHBondContact CE-OH 3.2Å; K105-Y115 HydrophobicContact CG-CD1 3.89Å; K105-Y115 HydrophobicContact CG-CE1 3.52Å; K105-Y115 HydrophobicContact CG-CE2 4.47Å; K105-Y115 PolarHBondContact NZ-OH 3.1Å; Y115-N121 WeakPolarHBondContact O-CA 2.98Å; Y115-A122 PolarHBondContact O-N 3.16Å; Y115-T124 HydrophobicContact CE2-CG2 3.97Å; Y115-V127 HydrophobicContact CD1-CB 4.44Å; Y115-V127 HydrophobicContact CD1-CG1 4.18Å; Y115-V127 HydrophobicContact CD1-CG2 3.84Å; Y115-V127 HydrophobicContact CD2-CG2 4.03Å; Y115-V127 HydrophobicContact CE1-CG1 4.07Å; Y115-V127 HydrophobicContact CE1-CG2 4.44Å; Y115-V127 HydrophobicContact CG-CB 4.42Å; Y115-V127 HydrophobicContact CG-CG2 3.59Å
116L95.2Very high89.4Confident27 Ų2767.9 Ų67.914%0.14139%0.389CS..EExtended strand (participates in β ladder)trans-126134.2170-52.8153.7000108.7I103 T104 T120 N121I103-L116 WeakPolarHBondContact CA-O 3.33Å; T104-L116 HydrophobicContact CG2-CD1 4.06Å; T104-L116 PolarHBondContact N-O 3.5Å; T104-L116 PolarHBondContact O-N 3.1Å; L116-T120 CarbonylContact C-O 3.49Å; L116-T120 WeakPolarHBondContact CA-O 3.47Å; L116-N121 WeakPolarHBondContact CD2-OD1 3.37Å
117I94.2Very high89.2Confident4 Ų465.8 Ų65.82%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-114.6119.9167.9-58.1171.9000106.5Y95 T102 G119 T120 A122 R126 V127 L130Y95-I117 HydrophobicContact CE1-CG2 3.75Å; Y95-I117 WeakPolarHBondContact OH-CD1 3.41Å; T102-I117 CarbonylContact O-C 3.55Å; T102-I117 WeakPolarHBondContact O-CA 3.34Å; I117-G119 PolarHBondContact O-N 3.07Å; I117-G119 VanDerWaalsContact O-N 3.17Å; I117-T120 PolarHBondContact N-O 3.22Å; I117-T120 PolarHBondContact O-N 3.08Å; I117-T120 PolarHBondContact O-OG1 3.36Å; I117-A122 HydrophobicContact CD1-CB 3.72Å; I117-A122 HydrophobicContact CG1-CB 3.82Å; I117-R126 HydrophobicContact CD1-CG 4.43Å; I117-V127 HydrophobicContact CD1-CG2 4.22Å; I117-V127 HydrophobicContact CG1-CG2 4.4Å; I117-L130 HydrophobicContact CD1-CD1 3.93Å; I117-L130 HydrophobicContact CG2-CD1 4.49Å
118N92.4Very high88.9Confident59 Ų5967.2 Ų67.232%0.31639%0.386SS..THydrogen-bonded Turntrans48.341.2-173.3-68.8-9.7000112.6T102 T120T102-N118 PolarHBondContact N-OD1 2.81Å; T102-N118 PolarHBondContact O-N 2.76Å; N118-T120 VanDerWaalsContact C-N 3.28Å; N118-T120 PolarHBondContact O-N 2.76Å
119G90Very high88.6Confident59 Ų5969.5 Ų69.561%0.60840%0.396SS*.THydrogen-bonded Turntrans79.8-5-179.600000115.9I117I117-G119 PolarHBondContact O-N 3.07Å; I117-G119 VanDerWaalsContact O-N 3.17Å
120T91.7Very high88.7Confident84 Ų8467.4 Ų67.452%0.51538%0.383SS..EExtended strand (participates in β ladder)trans-96.6137.2178.264.10000111.9L116 I117 N118 A122L116-T120 CarbonylContact C-O 3.49Å; L116-T120 WeakPolarHBondContact CA-O 3.47Å; I117-T120 PolarHBondContact N-O 3.22Å; I117-T120 PolarHBondContact O-N 3.08Å; I117-T120 PolarHBondContact O-OG1 3.36Å; N118-T120 VanDerWaalsContact C-N 3.28Å; N118-T120 PolarHBondContact O-N 2.76Å; T120-A122 PolarHBondContact O-N 2.99Å
121N93.4Very high89Confident112 Ų11263.7 Ų63.760%0.59935%0.345SS*.EExtended strand (participates in β ladder)trans-59.4130.1179.5-73.1-46.5000111.3Y115 L116Y115-N121 WeakPolarHBondContact O-CA 2.98Å; L116-N121 WeakPolarHBondContact CD2-OD1 3.37Å
122A92Very high89Confident16 Ų1666.7 Ų66.713%0.13235%0.349CS..EExtended strand (participates in β ladder)trans-123.6150.4176.900000111Y115 I117 T120 V127Y115-A122 PolarHBondContact O-N 3.16Å; I117-A122 HydrophobicContact CD1-CB 3.72Å; I117-A122 HydrophobicContact CG1-CB 3.82Å; T120-A122 PolarHBondContact O-N 2.99Å; A122-V127 HydrophobicContact CB-CG2 4.1Å
123T90.5Very high88.9Confident90 Ų9058.8 Ų58.855%0.55233%0.328SS*.  trans-76.9152.2170.5570000110T125 R126 V127T123-T125 VanDerWaalsContact C-N 3.25Å; T123-T125 PolarHBondContact O-N 3.38Å; T123-R126 WeakPolarHBondContact O-CB 3.41Å; T123-R126 PolarHBondContact O-N 3.48Å; T123-R126 VanDerWaalsContact O-N 3.08Å; T123-R126 WeakPolarHBondContact OG1-CB 3.33Å; T123-R126 PolarHBondContact OG1-N 3.4Å; T123-V127 PolarHBondContact O-N 3.36Å
124T87.3Confident88.5Confident74 Ų7455.9 Ų55.945%0.45431%0.313SS..Hα-helixtrans-54.4-43.5176.3-53.10000111.5Y115 R126 V127 H128Y115-T124 HydrophobicContact CE2-CG2 3.97Å; T124-R126 VanDerWaalsContact C-N 3.33Å; T124-R126 PolarHBondContact O-N 3.2Å; T124-V127 PolarHBondContact O-N 3.23Å; T124-V127 VanDerWaalsContact O-N 3.16Å; T124-H128 VanDerWaalsContact CG2-CD2 3.45Å; T124-H128 WeakPolarHBondContact CG2-CD2 3.33Å; T124-H128 WeakPolarHBondContact CG2-NE2 3.45Å; T124-H128 PolarHBondContact O-CD2 3.47Å; T124-H128 PolarHBondContact O-N 3.47Å
125T85.5Confident87.6Confident92 Ų9255.7 Ų55.756%0.56431%0.313SS*.Hα-helixtrans-55.6-46175.9-42.80000112T123 V127 H128 D129T123-T125 VanDerWaalsContact C-N 3.25Å; T123-T125 PolarHBondContact O-N 3.38Å; T125-V127 VanDerWaalsContact C-N 3.32Å; T125-V127 PolarHBondContact O-N 3.1Å; T125-H128 PolarHBondContact O-N 2.99Å; T125-H128 VanDerWaalsContact O-N 3.17Å; T125-D129 PolarHBondContact O-N 3.48Å
126R86.9Confident86.8Confident124 Ų12455.3 Ų55.347%0.46831%0.312SS..Hα-helixtrans-63.1-36.5179.3-174.9175.2179.7176.40.2112.8Y95 I117 T123 T124 L130Y95-R126 PolarHBondContact OH-NE 3.47Å; Y95-R126 PolarHBondContact OH-NH2 2.92Å; I117-R126 HydrophobicContact CD1-CG 4.43Å; T123-R126 WeakPolarHBondContact O-CB 3.41Å; T123-R126 PolarHBondContact O-N 3.48Å; T123-R126 VanDerWaalsContact O-N 3.08Å; T123-R126 WeakPolarHBondContact OG1-CB 3.33Å; T123-R126 PolarHBondContact OG1-N 3.4Å; T124-R126 VanDerWaalsContact C-N 3.33Å; T124-R126 PolarHBondContact O-N 3.2Å; R126-L130 WeakPolarHBondContact O-CB 3.45Å; R126-L130 PolarHBondContact O-N 2.97Å; R126-L130 VanDerWaalsContact O-N 3.09Å
127V89.2Confident85.7Confident0 Ų056.8 Ų56.80%032%0.32CS..Hα-helixtrans-69.7-41.1175.2-177.10000111.1I103 Y115 I117 A122 T123 T124 T125 L130 F131I103-V127 HydrophobicContact CG2-CG1 4.32Å; Y115-V127 HydrophobicContact CD1-CB 4.44Å; Y115-V127 HydrophobicContact CD1-CG1 4.18Å; Y115-V127 HydrophobicContact CD1-CG2 3.84Å; Y115-V127 HydrophobicContact CD2-CG2 4.03Å; Y115-V127 HydrophobicContact CE1-CG1 4.07Å; Y115-V127 HydrophobicContact CE1-CG2 4.44Å; Y115-V127 HydrophobicContact CG-CB 4.42Å; Y115-V127 HydrophobicContact CG-CG2 3.59Å; I117-V127 HydrophobicContact CD1-CG2 4.22Å; I117-V127 HydrophobicContact CG1-CG2 4.4Å; A122-V127 HydrophobicContact CB-CG2 4.1Å; T123-V127 PolarHBondContact O-N 3.36Å; T124-V127 PolarHBondContact O-N 3.23Å; T124-V127 VanDerWaalsContact O-N 3.16Å; T125-V127 VanDerWaalsContact C-N 3.32Å; T125-V127 PolarHBondContact O-N 3.1Å; V127-L130 WeakPolarHBondContact O-CB 3.47Å; V127-L130 PolarHBondContact O-N 3.02Å; V127-F131 HydrophobicContact CG1-CD2 3.79Å; V127-F131 HydrophobicContact CG1-CE2 3.48Å; V127-F131 VanDerWaalsContact CG1-CE2 3.48Å; V127-F131 HydrophobicContact CG1-CZ 4.49Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.22Å; V127-F131 PolarHBondContact O-N 3.13Å
128H85.7Confident84.5Confident31 Ų3156.7 Ų56.714%0.14432%0.32CS..Hα-helixtrans-63.2-43.9174.7-75.2-69.4000112.2G50 T124 T125 L130 F131 H132 V138G50-H128 PolarHBondContact O-CE1 3.42Å; T124-H128 VanDerWaalsContact CG2-CD2 3.45Å; T124-H128 WeakPolarHBondContact CG2-CD2 3.33Å; T124-H128 WeakPolarHBondContact CG2-NE2 3.45Å; T124-H128 PolarHBondContact O-CD2 3.47Å; T124-H128 PolarHBondContact O-N 3.47Å; T125-H128 PolarHBondContact O-N 2.99Å; T125-H128 VanDerWaalsContact O-N 3.17Å; H128-L130 VanDerWaalsContact C-N 3.3Å; H128-L130 PolarHBondContact O-N 2.69Å; H128-F131 PolarHBondContact O-N 2.98Å; H128-H132 VanDerWaalsContact O-CB 3.24Å; H128-H132 WeakPolarHBondContact O-CB 3.37Å; H128-H132 PolarHBondContact O-N 3.39Å; H128-V138 WeakPolarHBondContact ND1-CB 3.27Å
129D82.9Confident83.1Confident102 Ų10258.6 Ų58.655%0.54533%0.33SS..Hα-helixtrans-62.3-39.8177.7-64.5-24.2000111.2T125 H132 S133T125-D129 PolarHBondContact O-N 3.48Å; D129-H132 PolarHBondContact O-N 2.92Å; D129-S133 PolarHBondContact O-N 3.47Å
130L86.9Confident81.8Confident7 Ų758.1 Ų58.14%0.03731%0.313CS..Hα-helixtrans-57.2-55.1173.1-176.9161.6000110.6P92 Y95 I103 I117 R126 V127 H128 H132 S133P92-L130 HydrophobicContact CB-CD2 4.1Å; P92-L130 HydrophobicContact CB-CG 3.83Å; P92-L130 HydrophobicContact CG-CD2 4.1Å; P92-L130 HydrophobicContact CG-CG 4.07Å; Y95-L130 HydrophobicContact CD2-CD1 4.08Å; Y95-L130 HydrophobicContact CD2-CG 4.43Å; Y95-L130 HydrophobicContact CE1-CD1 4.47Å; Y95-L130 HydrophobicContact CE2-CD1 3.62Å; Y95-L130 HydrophobicContact CE2-CG 4.15Å; I103-L130 HydrophobicContact CD1-CD1 4.24Å; I103-L130 HydrophobicContact CD1-CD2 3.84Å; I117-L130 HydrophobicContact CD1-CD1 3.93Å; I117-L130 HydrophobicContact CG2-CD1 4.49Å; R126-L130 WeakPolarHBondContact O-CB 3.45Å; R126-L130 PolarHBondContact O-N 2.97Å; R126-L130 VanDerWaalsContact O-N 3.09Å; V127-L130 WeakPolarHBondContact O-CB 3.47Å; V127-L130 PolarHBondContact O-N 3.02Å; H128-L130 VanDerWaalsContact C-N 3.3Å; H128-L130 PolarHBondContact O-N 2.69Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 2.82Å; L130-S133 PolarHBondContact O-N 2.85Å; L130-S133 PolarHBondContact O-OG 3.38Å
131F87.3Confident80.3Confident0 Ų054.9 Ų54.90%029%0.294CS..Hα-helixtrans-65.3-34.9179.3-72.7-51.1000112.6M1 L48 L49 F83 I103 V127 H128 S133 V134 Q135 L136 V138M1-F131 HydrophobicContact CE-CD1 4.37Å; M1-F131 HydrophobicContact CE-CE1 4.32Å; L48-F131 HydrophobicContact CD2-CZ 4.01Å; L49-F131 HydrophobicContact CD2-CD1 4.02Å; L49-F131 HydrophobicContact CD2-CD2 4.22Å; L49-F131 HydrophobicContact CD2-CE1 3.59Å; L49-F131 HydrophobicContact CD2-CE2 3.8Å; L49-F131 HydrophobicContact CD2-CG 4.34Å; L49-F131 HydrophobicContact CD2-CZ 3.47Å; L49-F131 VanDerWaalsContact CD2-CZ 3.47Å; F83-F131 HydrophobicContact CE1-CE1 4.41Å; F83-F131 HydrophobicContact CE2-CE1 4.24Å; F83-F131 HydrophobicContact CE2-CZ 4.32Å; F83-F131 AromaticContact CZ-CE1 3.87Å; F83-F131 HydrophobicContact CZ-CE1 3.87Å; F83-F131 HydrophobicContact CZ-CZ 4.15Å; I103-F131 HydrophobicContact CD1-CE1 3.65Å; I103-F131 HydrophobicContact CD1-CE2 4.12Å; I103-F131 HydrophobicContact CD1-CZ 3.33Å; I103-F131 HydrophobicContact CG2-CZ 4.36Å; V127-F131 HydrophobicContact CG1-CD2 3.79Å; V127-F131 HydrophobicContact CG1-CE2 3.48Å; V127-F131 VanDerWaalsContact CG1-CE2 3.48Å; V127-F131 HydrophobicContact CG1-CZ 4.49Å; V127-F131 VanDerWaalsContact O-CD2 3.31Å; V127-F131 WeakPolarHBondContact O-CD2 3.22Å; V127-F131 PolarHBondContact O-N 3.13Å; H128-F131 PolarHBondContact O-N 2.98Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.23Å; F131-V134 CarbonylContact O-C 3.56Å; F131-V134 WeakPolarHBondContact O-CG2 3.32Å; F131-V134 PolarHBondContact O-N 3.34Å; F131-Q135 PolarHBondContact O-N 2.94Å; F131-L136 CarbonylContact C-O 3.52Å; F131-L136 HydrophobicContact CB-CB 3.94Å; F131-L136 WeakPolarHBondContact CB-O 3.44Å; F131-L136 HydrophobicContact CD1-CB 4.46Å; F131-L136 HydrophobicContact CD1-CD1 3.99Å; F131-L136 WeakPolarHBondContact O-CA 3.17Å; F131-L136 WeakPolarHBondContact O-CB 3.31Å; F131-L136 PolarHBondContact O-N 3.28Å; F131-V138 HydrophobicContact CB-CG2 4.09Å; F131-V138 HydrophobicContact CD2-CG2 4.15Å; F131-V138 HydrophobicContact CG-CG2 4.47Å
132H81.2Confident79.2Confident99 Ų9952 Ų5246%0.45828%0.277SS..Hα-helixtrans-64.1-36.5177-160.174.1000112H128 D129 L130 V134 Q135H128-H132 VanDerWaalsContact O-CB 3.24Å; H128-H132 WeakPolarHBondContact O-CB 3.37Å; H128-H132 PolarHBondContact O-N 3.39Å; D129-H132 PolarHBondContact O-N 2.92Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 2.82Å; H132-V134 PolarHBondContact O-N 3.04Å; H132-Q135 PolarHBondContact O-N 2.76Å
133S78.6Confident78.5Confident57 Ų5751.6 Ų51.640%0.39927%0.272SS..Hα-helixtrans-63.9-25.7177.572.90000113.6P92 Y93 D129 L130 F131P92-S133 WeakPolarHBondContact CA-OG 3.35Å; P92-S133 WeakPolarHBondContact CB-OG 3.4Å; Y93-S133 PolarHBondContact N-OG 3.48Å; D129-S133 PolarHBondContact O-N 3.47Å; L130-S133 PolarHBondContact O-N 2.85Å; L130-S133 PolarHBondContact O-OG 3.38Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.23Å
134V79.1Confident78Confident14 Ų1447.9 Ų47.99%0.08525%0.249CC..THydrogen-bonded Turntrans-102.522173.5-62.20000112.6M1 Q90 P92 F131 H132 L136 P1118M1-V134 HydrophobicContact CE-CG2 3.77Å; M1-V134 HydrophobicContact SD-CG1 4.47Å; Q90-V134 WeakPolarHBondContact O-CG1 3.34Å; P92-V134 HydrophobicContact CB-CG1 3.9Å; P92-V134 HydrophobicContact CG-CG1 4.31Å; F131-V134 CarbonylContact O-C 3.56Å; F131-V134 WeakPolarHBondContact O-CG2 3.32Å; F131-V134 PolarHBondContact O-N 3.34Å; H132-V134 PolarHBondContact O-N 3.04Å; V134-L136 HydrophobicContact CG2-CD1 4.25Å; V134-L136 HydrophobicContact CG2-CG 4.37Å; V134-L136 PolarHBondContact O-N 3.49Å; V134-P1118 VanDerWaalsContact O-CD 3.27Å; V134-P1118 WeakPolarHBondContact O-CD 3.46Å; V134-P1118 WeakPolarHBondContact O-CG 3.25Å
135Q74.1Confident77.8Confident108 Ų10844.5 Ų44.551%0.50523%0.228SC..THydrogen-bonded Turntrans66.313.3176.5-48.6-175.26.900115.9F131 H132 N137 P1116F131-Q135 PolarHBondContact O-N 2.94Å; H132-Q135 PolarHBondContact O-N 2.76Å; Q135-N137 PolarHBondContact O-N 3.44Å; Q135-P1116 PolarHBondContact OE1-O 3.27Å
136L77.7Confident77.6Confident2 Ų241.3 Ų41.31%0.0121%0.207CC..  trans-87.884.3170.7-69.1174.3000110.1M1 F131 V134 V138 F143 A1117 P1118 L1119M1-L136 HydrophobicContact CE-CD1 4.3Å; F131-L136 CarbonylContact C-O 3.52Å; F131-L136 HydrophobicContact CB-CB 3.94Å; F131-L136 WeakPolarHBondContact CB-O 3.44Å; F131-L136 HydrophobicContact CD1-CB 4.46Å; F131-L136 HydrophobicContact CD1-CD1 3.99Å; F131-L136 WeakPolarHBondContact O-CA 3.17Å; F131-L136 WeakPolarHBondContact O-CB 3.31Å; F131-L136 PolarHBondContact O-N 3.28Å; V134-L136 HydrophobicContact CG2-CD1 4.25Å; V134-L136 HydrophobicContact CG2-CG 4.37Å; V134-L136 PolarHBondContact O-N 3.49Å; L136-V138 PolarHBondContact O-N 3.26Å; L136-V138 VanDerWaalsContact O-N 3.14Å; L136-F143 HydrophobicContact CD2-CD1 3.85Å; L136-F143 HydrophobicContact CD2-CD2 4.46Å; L136-F143 HydrophobicContact CD2-CE1 4.1Å; L136-F143 HydrophobicContact CD2-CG 4.05Å; L136-A1117 HydrophobicContact CD2-CB 4.26Å; L136-P1118 HydrophobicContact CD1-CG 3.98Å; L136-P1118 HydrophobicContact CD2-CG 4.06Å; L136-P1118 HydrophobicContact CG-CG 3.78Å; L136-L1119 HydrophobicContact CD2-CB 4.16Å
137N72.7Confident77.1Confident58 Ų5840.6 Ų40.631%0.3121%0.209SC..  trans-78.799.1176.3-168.1-9.2000111.5Q135 N139 N140Q135-N137 PolarHBondContact O-N 3.44Å; N137-N139 VanDerWaalsContact C-N 3.27Å; N137-N139 PolarHBondContact O-N 3.4Å; N137-N139 PolarHBondContact OD1-N 3.29Å; N137-N140 CarbonylContact O-C 3.58Å; N137-N140 PolarHBondContact O-N 3.02Å
138V69.2Low76.5Confident2 Ų242.6 Ų42.61%0.01223%0.23CC..THydrogen-bonded Turntrans-64.9-29.5-177.1-170.30000113.2L49 G50 I51 H128 F131 L136 N140L49-V138 VanDerWaalsContact O-CG1 3.23Å; L49-V138 WeakPolarHBondContact O-CG1 3.33Å; L49-V138 WeakPolarHBondContact O-CG2 3.42Å; G50-V138 VanDerWaalsContact O-CG1 3.31Å; G50-V138 WeakPolarHBondContact O-CG1 3.43Å; I51-V138 HydrophobicContact CG1-CG1 4.1Å; H128-V138 WeakPolarHBondContact ND1-CB 3.27Å; F131-V138 HydrophobicContact CB-CG2 4.09Å; F131-V138 HydrophobicContact CD2-CG2 4.15Å; F131-V138 HydrophobicContact CG-CG2 4.47Å; L136-V138 PolarHBondContact O-N 3.26Å; L136-V138 VanDerWaalsContact O-N 3.14Å; V138-N140 PolarHBondContact O-N 3.24Å
139N63.7Low76.1Confident99 Ų9944.6 Ų44.653%0.52924%0.236SC..THydrogen-bonded Turntrans-73.2-20.8-179.7-67.4-28.2000112.1N137N137-N139 VanDerWaalsContact C-N 3.27Å; N137-N139 PolarHBondContact O-N 3.4Å; N137-N139 PolarHBondContact OD1-N 3.29Å
140N61.4Low75.9Confident49 Ų4940.3 Ų40.326%0.26221%0.213SC..SBendtrans-145.576177.5-131.7-22.1000111N137 V138 H142 E167N137-N140 CarbonylContact O-C 3.58Å; N137-N140 PolarHBondContact O-N 3.02Å; V138-N140 PolarHBondContact O-N 3.24Å; N140-H142 PolarHBondContact O-N 3.48Å; N140-E167 PolarHBondContact ND2-OE1 3.48Å; N140-E167 PolarHBondContact ND2-OE2 3.39Å; N140-E167 VanDerWaalsContact ND2-OE2 3.07Å; N140-E167 PolarHBondContact OD1-OE2 2.96Å
141P61.7Low75.5Confident17 Ų1743.7 Ų43.711%0.1123%0.234CC..  trans-80.583.7-166.932.7-34.6000110.3I51 F143 L144I51-P141 HydrophobicContact CD1-CG 4.45Å; P141-F143 HydrophobicContact CB-CD1 3.88Å; P141-F143 HydrophobicContact CB-CE1 3.42Å; P141-F143 VanDerWaalsContact CB-CE1 3.42Å; P141-F143 HydrophobicContact CB-CE2 4.13Å; P141-F143 HydrophobicContact CB-CG 4.4Å; P141-F143 HydrophobicContact CB-CZ 3.55Å; P141-F143 PolarHBondContact O-N 2.83Å; P141-L144 HydrophobicContact CB-CB 3.88Å; P141-L144 HydrophobicContact CG-CB 4.16Å; P141-L144 HydrophobicContact CG-CD2 4.4Å; P141-L144 PolarHBondContact O-N 3.34Å
142H68.8Low75.1Confident52 Ų5249.6 Ų49.624%0.24126%0.26CS..THydrogen-bonded Turntrans-58.1-24.5166.7-63.4-61.7000111.9N140 L144 E167 A168 L1112N140-H142 PolarHBondContact O-N 3.48Å; H142-L144 PolarHBondContact O-N 3.43Å; H142-E167 VanDerWaalsContact CE1-CB 3.44Å; H142-E167 WeakPolarHBondContact CE1-CB 3.4Å; H142-E167 IonicContact CE1-OE2 2.85Å; H142-E167 WeakPolarHBondContact NE2-CB 3.23Å; H142-A168 PolarHBondContact NE2-N 2.98Å; H142-L1112 HydrophobicContact CB-CD2 4.43Å; H142-L1112 VanDerWaalsContact O-CD2 3.23Å; H142-L1112 WeakPolarHBondContact O-CD2 3.31Å
143F78Confident75.1Confident6 Ų645.2 Ų45.23%0.02624%0.239CC..THydrogen-bonded Turntrans-71.9-10.5176.868.2-95.8000114.4L49 L136 P141 A1117 L1119 Y1120 I1121L49-F143 HydrophobicContact CD1-CE2 3.46Å; L49-F143 VanDerWaalsContact CD1-CE2 3.46Å; L49-F143 HydrophobicContact CD1-CZ 3.66Å; L136-F143 HydrophobicContact CD2-CD1 3.85Å; L136-F143 HydrophobicContact CD2-CD2 4.46Å; L136-F143 HydrophobicContact CD2-CE1 4.1Å; L136-F143 HydrophobicContact CD2-CG 4.05Å; P141-F143 HydrophobicContact CB-CD1 3.88Å; P141-F143 HydrophobicContact CB-CE1 3.42Å; P141-F143 VanDerWaalsContact CB-CE1 3.42Å; P141-F143 HydrophobicContact CB-CE2 4.13Å; P141-F143 HydrophobicContact CB-CG 4.4Å; P141-F143 HydrophobicContact CB-CZ 3.55Å; P141-F143 PolarHBondContact O-N 2.83Å; F143-A1117 HydrophobicContact CB-CB 4.25Å; F143-L1119 WeakPolarHBondContact CB-O 3.5Å; F143-Y1120 HydrophobicContact CB-CD1 3.78Å; F143-Y1120 HydrophobicContact CB-CE1 4.1Å; F143-Y1120 CarbonylContact O-C 3.49Å; F143-Y1120 WeakPolarHBondContact O-CA 3.36Å; F143-I1121 PolarHBondContact O-N 3.47Å
144L80.5Confident75.1Confident13 Ų1343.1 Ų43.17%0.06822%0.224CC..EExtended strand (participates in β ladder)trans-111.3113.7-177.9-17867.9000111C46 I51 H56 P141 H142 M146 I1121C46-L144 WeakPolarHBondContact SG-CD1 3.34Å; I51-L144 HydrophobicContact CD1-CD2 3.38Å; H56-L144 HydrophobicContact CB-CD2 4.38Å; P141-L144 HydrophobicContact CB-CB 3.88Å; P141-L144 HydrophobicContact CG-CB 4.16Å; P141-L144 HydrophobicContact CG-CD2 4.4Å; P141-L144 PolarHBondContact O-N 3.34Å; H142-L144 PolarHBondContact O-N 3.43Å; L144-M146 HydrophobicContact CD1-CG 4.3Å; L144-M146 HydrophobicContact CD1-SD 3.56Å; L144-M146 VanDerWaalsContact CD1-SD 3.56Å; L144-M146 HydrophobicContact CD2-CG 4.01Å; L144-M146 HydrophobicContact CD2-SD 4.02Å; L144-M146 HydrophobicContact CG-CG 3.95Å; L144-M146 HydrophobicContact CG-SD 3.88Å; L144-I1121 HydrophobicContact CD1-CB 3.62Å; L144-I1121 HydrophobicContact CD1-CD1 4.35Å; L144-I1121 HydrophobicContact CD1-CG2 3.5Å
145I81.7Confident75.1Confident3 Ų347.9 Ų47.92%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-113.696.9172.2-47.1-178.9000108.5R149 I150 I1108 I1121 L1122 D1123 V1125I145-R149 HydrophobicContact CG2-CB 3.99Å; I145-R149 HydrophobicContact CG2-CG 4.28Å; I145-I150 HydrophobicContact CG2-CG1 4.2Å; I145-I1108 HydrophobicContact CD1-CB 3.98Å; I145-I1108 HydrophobicContact CD1-CD1 3.87Å; I145-I1108 HydrophobicContact CD1-CG1 4.41Å; I145-I1108 HydrophobicContact CD1-CG2 3.2Å; I145-I1108 HydrophobicContact CG1-CG2 4.03Å; I145-I1108 HydrophobicContact CG2-CD1 4.27Å; I145-I1121 PolarHBondContact N-O 3.22Å; I145-L1122 HydrophobicContact CB-CD2 3.68Å; I145-L1122 HydrophobicContact CD1-CD2 3.3Å; I145-L1122 HydrophobicContact CG1-CD2 3.54Å; I145-D1123 PolarHBondContact O-N 3.45Å; I145-V1125 HydrophobicContact CB-CG1 3.99Å; I145-V1125 HydrophobicContact CG2-CG1 3.62Å
146M81.5Confident75.6Confident25 Ų2544 Ų4412%0.12323%0.231CC..  trans-76.9160.8174.6-60.1-59.4-71.200111.5H56 L144 G148 R149 D1123H56-M146 WeakPolarHBondContact O-CE 3.4Å; L144-M146 HydrophobicContact CD1-CG 4.3Å; L144-M146 HydrophobicContact CD1-SD 3.56Å; L144-M146 VanDerWaalsContact CD1-SD 3.56Å; L144-M146 HydrophobicContact CD2-CG 4.01Å; L144-M146 HydrophobicContact CD2-SD 4.02Å; L144-M146 HydrophobicContact CG-CG 3.95Å; L144-M146 HydrophobicContact CG-SD 3.88Å; M146-G148 PolarHBondContact O-N 3.41Å; M146-R149 WeakPolarHBondContact O-CB 3.39Å; M146-R149 PolarHBondContact O-N 3.22Å; M146-D1123 HydrophobicContact CE-CB 4.48Å; M146-D1123 HydrophobicContact SD-CB 4.33Å
147Q77.4Confident76.1Confident109 Ų10950.7 Ų50.751%0.50926%0.26SS..THydrogen-bonded Turntrans-51.5132.7173-172.5176.117.100111.1R149 D1123 E1124Q147-R149 VanDerWaalsContact C-N 3.26Å; Q147-R149 PolarHBondContact O-N 3.05Å; Q147-D1123 WeakPolarHBondContact CA-O 3.35Å; Q147-D1123 PolarHBondContact N-O 3.17Å; Q147-E1124 HydrophobicContact CB-CB 4.47Å; Q147-E1124 HydrophobicContact CG-CB 4.25Å; Q147-E1124 PolarHBondContact NE2-OE2 3.4Å; Q147-E1124 PolarHBondContact OE1-OE2 3.05Å
148G76.2Confident77Confident42 Ų4250 Ų5043%0.43326%0.259SS..THydrogen-bonded Turntrans79.5-8.1-176.400000115.4M146 I150 T151 K152M146-G148 PolarHBondContact O-N 3.41Å; G148-I150 PolarHBondContact O-N 3.39Å; G148-T151 PolarHBondContact O-N 3.24Å; G148-T151 PolarHBondContact O-OG1 3.29Å; G148-K152 PolarHBondContact O-N 3.14Å; G148-K152 VanDerWaalsContact O-N 3.11Å
149R77.5Confident77.9Confident72 Ų7253.6 Ų53.627%0.27228%0.282SS..Hα-helixtrans-62.8-34.1174.5-175.260.6177.8-163.52.3112.1I145 M146 Q147 K152 I153I145-R149 HydrophobicContact CG2-CB 3.99Å; I145-R149 HydrophobicContact CG2-CG 4.28Å; M146-R149 WeakPolarHBondContact O-CB 3.39Å; M146-R149 PolarHBondContact O-N 3.22Å; Q147-R149 VanDerWaalsContact C-N 3.26Å; Q147-R149 PolarHBondContact O-N 3.05Å; R149-K152 PolarHBondContact O-N 3.12Å; R149-I153 HydrophobicContact CG-CD1 4.09Å; R149-I153 WeakPolarHBondContact O-CG1 3.38Å; R149-I153 PolarHBondContact O-N 3.49Å
150I79.3Confident79Confident12 Ų1253.1 Ų53.16%0.06228%0.277CS..Hα-helixtrans-61.4-46.4177.3-65.4173.9000111I145 G148 K152 I153 L154 A1104 L1105 I1108 V1125I145-I150 HydrophobicContact CG2-CG1 4.2Å; G148-I150 PolarHBondContact O-N 3.39Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 3.25Å; I150-I153 PolarHBondContact O-N 3.31Å; I150-L154 WeakPolarHBondContact O-CG 3.45Å; I150-L154 PolarHBondContact O-N 2.94Å; I150-A1104 HydrophobicContact CG2-CB 3.81Å; I150-L1105 HydrophobicContact CD1-CD1 4.25Å; I150-I1108 HydrophobicContact CG1-CD1 4.2Å; I150-V1125 HydrophobicContact CD1-CB 3.64Å; I150-V1125 HydrophobicContact CD1-CG1 3.91Å; I150-V1125 WeakPolarHBondContact CD1-O 3.34Å
151T77.8Confident80.2Confident78 Ų7851.3 Ų51.348%0.47927%0.267SS..Hα-helixtrans-67.2-34.9177.448.40000111.7G148 L154 N155G148-T151 PolarHBondContact O-N 3.24Å; G148-T151 PolarHBondContact O-OG1 3.29Å; T151-L154 PolarHBondContact O-N 3.45Å; T151-N155 PolarHBondContact O-N 3.44Å; T151-N155 PolarHBondContact O-ND2 2.77Å
152K80.1Confident81.5Confident125 Ų12550.9 Ų50.954%0.54326%0.263SS..Hα-helixtrans-62.4-45.9174.2-169.9173.4-179.3171.80112.2G148 R149 I150 L154 N155 M156G148-K152 PolarHBondContact O-N 3.14Å; G148-K152 VanDerWaalsContact O-N 3.11Å; R149-K152 PolarHBondContact O-N 3.12Å; I150-K152 VanDerWaalsContact C-N 3.32Å; I150-K152 PolarHBondContact O-N 3.25Å; K152-L154 VanDerWaalsContact C-N 3.25Å; K152-L154 PolarHBondContact O-N 3.02Å; K152-N155 CarbonylContact O-C 3.46Å; K152-N155 PolarHBondContact O-N 3.16Å; K152-N155 VanDerWaalsContact O-N 3.07Å; K152-M156 HydrophobicContact CG-CE 4.35Å; K152-M156 WeakPolarHBondContact O-CG 3.43Å; K152-M156 PolarHBondContact O-N 2.93Å; K152-M156 VanDerWaalsContact O-N 3.12Å
153I80.2Confident82.2Confident6 Ų650 Ų503%0.03126%0.263CS..Hα-helixtrans-60.3-36.4179-71166.3000111.5R149 I150 N155 M156 L164 A1104 L1107 I1108R149-I153 HydrophobicContact CG-CD1 4.09Å; R149-I153 WeakPolarHBondContact O-CG1 3.38Å; R149-I153 PolarHBondContact O-N 3.49Å; I150-I153 PolarHBondContact O-N 3.31Å; I153-N155 PolarHBondContact O-N 3.47Å; I153-M156 HydrophobicContact CB-SD 4.44Å; I153-M156 HydrophobicContact CG1-CE 4.11Å; I153-M156 HydrophobicContact CG1-SD 4.07Å; I153-M156 WeakPolarHBondContact O-CB 3.42Å; I153-M156 PolarHBondContact O-N 3.22Å; I153-L164 HydrophobicContact CG1-CD1 4.24Å; I153-L164 HydrophobicContact CG2-CD1 4.47Å; I153-A1104 HydrophobicContact CG2-CB 4.25Å; I153-L1107 HydrophobicContact CG2-CD2 4.45Å; I153-I1108 HydrophobicContact CD1-CD1 3.44Å; I153-I1108 VanDerWaalsContact CD1-CD1 3.44Å; I153-I1108 HydrophobicContact CD1-CG1 3.57Å
154L77.5Confident82.3Confident14 Ų1450.2 Ų50.27%0.07326%0.264CS..Hα-helixtrans-67.3-24.9177-70162.7000114.2I150 T151 K152 R1100 A1104I150-L154 WeakPolarHBondContact O-CG 3.45Å; I150-L154 PolarHBondContact O-N 2.94Å; T151-L154 PolarHBondContact O-N 3.45Å; K152-L154 VanDerWaalsContact C-N 3.25Å; K152-L154 PolarHBondContact O-N 3.02Å; L154-R1100 HydrophobicContact CD1-CB 3.68Å; L154-R1100 HydrophobicContact CD2-CB 4.17Å; L154-R1100 VanDerWaalsContact CD2-O 3.31Å; L154-R1100 WeakPolarHBondContact CD2-O 3.45Å; L154-A1104 HydrophobicContact CD1-CB 4.15Å; L154-A1104 HydrophobicContact CD2-CB 3.67Å; L154-A1104 HydrophobicContact CG-CB 3.59Å
155N80.7Confident82.5Confident114 Ų11449.7 Ų49.761%0.6126%0.262SS*.THydrogen-bonded Turntrans-103.26.7-179.5-62.1-23.2000111.7T151 K152 I153 R1100T151-N155 PolarHBondContact O-N 3.44Å; T151-N155 PolarHBondContact O-ND2 2.77Å; K152-N155 CarbonylContact O-C 3.46Å; K152-N155 PolarHBondContact O-N 3.16Å; K152-N155 VanDerWaalsContact O-N 3.07Å; I153-N155 PolarHBondContact O-N 3.47Å; N155-R1100 PolarHBondContact OD1-NH2 3.5Å
156M84.3Confident82.6Confident26 Ų2650.3 Ų50.313%0.12826%0.264CS..  trans-68141.4177.3-83.4178.6177.200110.6K152 I153 E160 I161 L164K152-M156 HydrophobicContact CG-CE 4.35Å; K152-M156 WeakPolarHBondContact O-CG 3.43Å; K152-M156 PolarHBondContact O-N 2.93Å; K152-M156 VanDerWaalsContact O-N 3.12Å; I153-M156 HydrophobicContact CB-SD 4.44Å; I153-M156 HydrophobicContact CG1-CE 4.11Å; I153-M156 HydrophobicContact CG1-SD 4.07Å; I153-M156 WeakPolarHBondContact O-CB 3.42Å; I153-M156 PolarHBondContact O-N 3.22Å; M156-E160 WeakPolarHBondContact CA-OE2 3.29Å; M156-E160 HydrophobicContact CB-CB 3.91Å; M156-E160 WeakPolarHBondContact CB-OE2 3.45Å; M156-E160 HydrophobicContact CG-CB 4.01Å; M156-E160 WeakPolarHBondContact CG-OE2 3.39Å; M156-E160 HydrophobicContact SD-CB 4.33Å; M156-I161 HydrophobicContact CB-CD1 4.36Å; M156-I161 HydrophobicContact CB-CG1 3.69Å; M156-L164 HydrophobicContact CE-CD1 4.45Å; M156-L164 HydrophobicContact SD-CD1 3.67Å; M156-L164 HydrophobicContact SD-CG 4.2Å
157K89.1Confident82.3Confident143 Ų14350.3 Ų50.362%0.62226%0.264SS*.  trans-71.3157.8173-65.7-178.7178.7178.70110.2P159 E160 I161K157-P159 VanDerWaalsContact C-CD 3.48Å; K157-P159 VanDerWaalsContact C-N 3.34Å; K157-E160 HydrophobicContact CB-CG 4.25Å; K157-E160 PolarHBondContact N-OE2 3.24Å; K157-E160 WeakPolarHBondContact O-CA 3.41Å; K157-E160 WeakPolarHBondContact O-CB 3.44Å; K157-E160 PolarHBondContact O-N 2.95Å; K157-I161 PolarHBondContact O-N 3.5Å
158P90.1Very high82.2Confident44 Ų4445.3 Ų45.329%0.28624%0.241SC..Hα-helixtrans-52.9-40.2-178.1-25.732.8000115.6E160 I161 L162 P1069 G1077 L1078P158-E160 VanDerWaalsContact C-N 3.29Å; P158-E160 PolarHBondContact O-N 3.3Å; P158-I161 PolarHBondContact O-N 3.43Å; P158-L162 PolarHBondContact O-N 2.71Å; P158-L162 VanDerWaalsContact O-N 3.1Å; P158-P1069 HydrophobicContact CB-CG 3.7Å; P158-P1069 HydrophobicContact CG-CG 3.94Å; P158-G1077 WeakPolarHBondContact O-CA 3.39Å; P158-L1078 VanDerWaalsContact CA-O 3.25Å; P158-L1078 WeakPolarHBondContact CA-O 3.44Å; P158-L1078 PolarHBondContact O-N 3.32Å
159P89Confident82.2Confident76 Ų7644 Ų4449%0.49423%0.227SC..Hα-helixtrans-65.9-28.4174.3-22.334.5000113.8K157 S163K157-P159 VanDerWaalsContact C-CD 3.48Å; K157-P159 VanDerWaalsContact C-N 3.34Å; P159-S163 WeakPolarHBondContact O-CB 3.37Å; P159-S163 PolarHBondContact O-N 2.81Å
160E85.5Confident82Confident90 Ų9042.5 Ų42.542%0.42123%0.227SC..Hα-helixtrans-74.4-37.2179.3-61.4173.9170.600111.3M156 K157 P158 S163 L164M156-E160 WeakPolarHBondContact CA-OE2 3.29Å; M156-E160 HydrophobicContact CB-CB 3.91Å; M156-E160 WeakPolarHBondContact CB-OE2 3.45Å; M156-E160 HydrophobicContact CG-CB 4.01Å; M156-E160 WeakPolarHBondContact CG-OE2 3.39Å; M156-E160 HydrophobicContact SD-CB 4.33Å; K157-E160 HydrophobicContact CB-CG 4.25Å; K157-E160 PolarHBondContact N-OE2 3.24Å; K157-E160 WeakPolarHBondContact O-CA 3.41Å; K157-E160 WeakPolarHBondContact O-CB 3.44Å; K157-E160 PolarHBondContact O-N 2.95Å; P158-E160 VanDerWaalsContact C-N 3.29Å; P158-E160 PolarHBondContact O-N 3.3Å; E160-S163 WeakPolarHBondContact O-CB 3.37Å; E160-S163 PolarHBondContact O-N 3.35Å; E160-L164 PolarHBondContact O-N 2.69Å
161I87.2Confident81.9Confident11 Ų1141.9 Ų41.96%0.05622%0.224CC..Hα-helixtrans-67.6-41.2173.1-61.3-179.1000110.4M156 K157 P158 S163 L164 L165 L1066 L1078 I1080 L1107M156-I161 HydrophobicContact CB-CD1 4.36Å; M156-I161 HydrophobicContact CB-CG1 3.69Å; K157-I161 PolarHBondContact O-N 3.5Å; P158-I161 PolarHBondContact O-N 3.43Å; I161-S163 VanDerWaalsContact C-N 3.26Å; I161-S163 PolarHBondContact O-N 3.11Å; I161-L164 WeakPolarHBondContact O-CB 3.41Å; I161-L164 PolarHBondContact O-N 3.13Å; I161-L164 VanDerWaalsContact O-N 3.16Å; I161-L165 PolarHBondContact O-N 3.23Å; I161-L1066 HydrophobicContact CG2-CD1 3.84Å; I161-L1078 HydrophobicContact CB-CB 4.45Å; I161-L1078 WeakPolarHBondContact CB-O 3.49Å; I161-L1078 HydrophobicContact CG2-CB 4Å; I161-I1080 HydrophobicContact CD1-CD1 4.49Å; I161-I1080 HydrophobicContact CD1-CG1 4.33Å; I161-L1107 HydrophobicContact CG2-CD2 4.38Å
162L88.4Confident81.4Confident7 Ų741.7 Ų41.74%0.03722%0.216CC..Hα-helixtrans-57.5-42.8171.4176.362000111.2P158 L164 L165 E166 L1040 V1074 L1075 L1078P158-L162 PolarHBondContact O-N 2.71Å; P158-L162 VanDerWaalsContact O-N 3.1Å; L162-L164 VanDerWaalsContact C-N 3.26Å; L162-L164 PolarHBondContact O-N 2.91Å; L162-L165 WeakPolarHBondContact O-CA 3.42Å; L162-L165 WeakPolarHBondContact O-CB 3.46Å; L162-L165 PolarHBondContact O-N 3.37Å; L162-E166 HydrophobicContact CD1-CG 4.27Å; L162-E166 HydrophobicContact CG-CG 4.23Å; L162-E166 WeakPolarHBondContact O-CG 3.27Å; L162-E166 PolarHBondContact O-N 3.04Å; L162-L1040 HydrophobicContact CD1-CD1 4.28Å; L162-L1040 HydrophobicContact CD1-CD2 3.83Å; L162-L1040 HydrophobicContact CD1-CG 4.38Å; L162-V1074 WeakPolarHBondContact CD1-O 3.35Å; L162-V1074 WeakPolarHBondContact CD2-O 3.43Å; L162-L1075 VanDerWaalsContact CD2-C 3.48Å; L162-L1075 WeakPolarHBondContact CD2-O 3.33Å; L162-L1078 HydrophobicContact CB-CG 4.46Å; L162-L1078 HydrophobicContact CD1-CD1 3.93Å; L162-L1078 HydrophobicContact CD1-CG 4.27Å
163S83.7Confident80.9Confident33 Ų3340.4 Ų40.423%0.23122%0.215CC..Hα-helixtrans-59.3-36.2177.4-159.40000112.6P159 E160 I161 L165 E166 E167P159-S163 WeakPolarHBondContact O-CB 3.37Å; P159-S163 PolarHBondContact O-N 2.81Å; E160-S163 WeakPolarHBondContact O-CB 3.37Å; E160-S163 PolarHBondContact O-N 3.35Å; I161-S163 VanDerWaalsContact C-N 3.26Å; I161-S163 PolarHBondContact O-N 3.11Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 2.95Å; S163-E166 PolarHBondContact O-N 3.09Å; S163-E167 WeakPolarHBondContact O-CB 3.12Å; S163-E167 WeakPolarHBondContact O-CG 3.36Å; S163-E167 PolarHBondContact O-N 3.09Å
164L80.7Confident80.7Confident12 Ų1243.5 Ų43.56%0.06323%0.227CC..Hα-helixtrans-61.5-39.8173.2-65175.8000112.2I153 M156 E160 I161 L162 A168 L1111I153-L164 HydrophobicContact CG1-CD1 4.24Å; I153-L164 HydrophobicContact CG2-CD1 4.47Å; M156-L164 HydrophobicContact CE-CD1 4.45Å; M156-L164 HydrophobicContact SD-CD1 3.67Å; M156-L164 HydrophobicContact SD-CG 4.2Å; E160-L164 PolarHBondContact O-N 2.69Å; I161-L164 WeakPolarHBondContact O-CB 3.41Å; I161-L164 PolarHBondContact O-N 3.13Å; I161-L164 VanDerWaalsContact O-N 3.16Å; L162-L164 VanDerWaalsContact C-N 3.26Å; L162-L164 PolarHBondContact O-N 2.91Å; L164-A168 WeakPolarHBondContact O-CB 3.27Å; L164-A168 PolarHBondContact O-N 3.35Å; L164-A168 VanDerWaalsContact O-N 3.11Å; L164-L1111 HydrophobicContact CB-CD1 4.29Å
165L85.7Confident80.5Confident2 Ų246.2 Ų46.21%0.0124%0.239CC..Hα-helixtrans-70.1-43.7177.4-174.273.2000111.4I161 L162 S163 E167 A168 A169 L1040 A1043 H1044 V1047 L1078 L1111I161-L165 PolarHBondContact O-N 3.23Å; L162-L165 WeakPolarHBondContact O-CA 3.42Å; L162-L165 WeakPolarHBondContact O-CB 3.46Å; L162-L165 PolarHBondContact O-N 3.37Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 2.95Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 2.8Å; L165-A168 PolarHBondContact O-N 3.15Å; L165-A169 VanDerWaalsContact O-CB 3.28Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.36Å; L165-L1040 HydrophobicContact CD2-CD1 3.84Å; L165-L1040 HydrophobicContact CD2-CG 4.47Å; L165-L1040 HydrophobicContact CG-CD1 4.02Å; L165-A1043 HydrophobicContact CD1-CB 4.24Å; L165-A1043 HydrophobicContact CG-CB 4.44Å; L165-H1044 HydrophobicContact CD2-CB 3.68Å; L165-V1047 HydrophobicContact CD1-CB 3.87Å; L165-V1047 HydrophobicContact CD1-CG1 4.14Å; L165-V1047 HydrophobicContact CD1-CG2 3.62Å; L165-L1078 HydrophobicContact CB-CD1 4.39Å; L165-L1078 HydrophobicContact CD2-CD1 3.62Å; L165-L1111 HydrophobicContact CD1-CD2 3.92Å
166E83.4Confident80.1Confident15 Ų1545.2 Ų45.27%0.0723%0.234CC..Hα-helixtrans-60.4-38.4177-72.6-177.7136.700112.2L162 S163 S170 T171 K1036 L1040L162-E166 HydrophobicContact CD1-CG 4.27Å; L162-E166 HydrophobicContact CG-CG 4.23Å; L162-E166 WeakPolarHBondContact O-CG 3.27Å; L162-E166 PolarHBondContact O-N 3.04Å; S163-E166 PolarHBondContact O-N 3.09Å; E166-S170 WeakPolarHBondContact O-CA 3.37Å; E166-S170 PolarHBondContact O-N 3.38Å; E166-T171 WeakPolarHBondContact CA-OG1 3.32Å; E166-T171 VanDerWaalsContact CB-OG1 3.3Å; E166-T171 WeakPolarHBondContact CB-OG1 3.45Å; E166-T171 PolarHBondContact O-N 3.41Å; E166-T171 PolarHBondContact O-OG1 3.32Å; E166-K1036 WeakPolarHBondContact OE1-CE 3.4Å; E166-K1036 IonicContact OE1-NZ 2.73Å; E166-K1036 PolarHBondContact OE1-NZ 2.88Å; E166-L1040 HydrophobicContact CB-CD1 4.42Å; E166-L1040 HydrophobicContact CG-CD1 3.65Å; E166-L1040 HydrophobicContact CG-CD2 4.12Å
167E75.3Confident79.7Confident26 Ų2650.6 Ų50.612%0.12126%0.257CS..Hα-helixtrans-68.9-43.8176.6-69.7169.8168.200111.5N140 H142 S163 L165 S170 K172N140-E167 PolarHBondContact ND2-OE1 3.48Å; N140-E167 PolarHBondContact ND2-OE2 3.39Å; N140-E167 VanDerWaalsContact ND2-OE2 3.07Å; N140-E167 PolarHBondContact OD1-OE2 2.96Å; H142-E167 VanDerWaalsContact CE1-CB 3.44Å; H142-E167 WeakPolarHBondContact CE1-CB 3.4Å; H142-E167 IonicContact CE1-OE2 2.85Å; H142-E167 WeakPolarHBondContact NE2-CB 3.23Å; S163-E167 WeakPolarHBondContact O-CB 3.12Å; S163-E167 WeakPolarHBondContact O-CG 3.36Å; S163-E167 PolarHBondContact O-N 3.09Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 2.8Å; E167-S170 WeakPolarHBondContact O-CA 3.35Å; E167-S170 PolarHBondContact O-N 3.39Å; E167-S170 PolarHBondContact O-OG 2.98Å; E167-K172 HydrophobicContact CG-CD 3.89Å; E167-K172 IonicContact OE1-NZ 3.46Å; E167-K172 PolarHBondContact OE1-NZ 3.4Å
168A73.7Confident79.4Confident3 Ų346.7 Ų46.73%0.02524%0.24CC..Hα-helixtrans-63.3-42.5174.700000111.9H142 L164 L165 S170 L1111 F1114 K1115H142-A168 PolarHBondContact NE2-N 2.98Å; L164-A168 WeakPolarHBondContact O-CB 3.27Å; L164-A168 PolarHBondContact O-N 3.35Å; L164-A168 VanDerWaalsContact O-N 3.11Å; L165-A168 PolarHBondContact O-N 3.15Å; A168-S170 PolarHBondContact O-N 2.83Å; A168-L1111 HydrophobicContact CB-CD2 3.96Å; A168-F1114 HydrophobicContact CB-CD1 4.45Å; A168-K1115 WeakPolarHBondContact O-CD 2.98Å
169A78Confident78.9Confident16 Ų1649.3 Ų49.313%0.13225%0.248CC..THydrogen-bonded Turntrans-70.6-10.217300000113.3L165 T171 V1039 A1043 F1114L165-A169 VanDerWaalsContact O-CB 3.28Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.36Å; A169-T171 HydrophobicContact CB-CG2 3.89Å; A169-T171 PolarHBondContact O-N 3.14Å; A169-V1039 HydrophobicContact CB-CG1 4.21Å; A169-A1043 HydrophobicContact CB-CB 3.71Å; A169-F1114 HydrophobicContact CB-CE1 4.35Å
170S73Confident78.4Confident39 Ų3948.3 Ų48.327%0.27325%0.246SC..THydrogen-bonded Turntrans5729.1-175.4-60.30000113.9E166 E167 A168 K172 K1115E166-S170 WeakPolarHBondContact O-CA 3.37Å; E166-S170 PolarHBondContact O-N 3.38Å; E167-S170 WeakPolarHBondContact O-CA 3.35Å; E167-S170 PolarHBondContact O-N 3.39Å; E167-S170 PolarHBondContact O-OG 2.98Å; A168-S170 PolarHBondContact O-N 2.83Å; S170-K172 VanDerWaalsContact C-N 3.31Å; S170-K1115 PolarHBondContact OG-NZ 3.47Å
171T76.9Confident78.4Confident0 Ų044.9 Ų44.90%023%0.233CC..THydrogen-bonded Turntrans-76.2-18.9177.353.90000112.5E166 A169 L173 Y174 K1036 V1039E166-T171 WeakPolarHBondContact CA-OG1 3.32Å; E166-T171 VanDerWaalsContact CB-OG1 3.3Å; E166-T171 WeakPolarHBondContact CB-OG1 3.45Å; E166-T171 PolarHBondContact O-N 3.41Å; E166-T171 PolarHBondContact O-OG1 3.32Å; A169-T171 HydrophobicContact CB-CG2 3.89Å; A169-T171 PolarHBondContact O-N 3.14Å; T171-L173 PolarHBondContact O-N 3.15Å; T171-L173 VanDerWaalsContact O-N 3.1Å; T171-Y174 VanDerWaalsContact O-CB 3.27Å; T171-Y174 WeakPolarHBondContact O-CB 3.37Å; T171-Y174 WeakPolarHBondContact O-CD2 3.39Å; T171-Y174 PolarHBondContact O-N 2.67Å; T171-K1036 HydrophobicContact CG2-CG 4.38Å; T171-V1039 HydrophobicContact CG2-CB 4.06Å; T171-V1039 HydrophobicContact CG2-CG1 3.67Å
172K67.7Low78.4Confident73 Ų7348 Ų4832%0.31725%0.249SC..Hα-helixtrans-56.9-26.1175.9-157.9166-164.9167.60114.1E167 S170 Y174 E175 N176E167-K172 HydrophobicContact CG-CD 3.89Å; E167-K172 IonicContact OE1-NZ 3.46Å; E167-K172 PolarHBondContact OE1-NZ 3.4Å; S170-K172 VanDerWaalsContact C-N 3.31Å; K172-Y174 VanDerWaalsContact C-N 3.28Å; K172-Y174 PolarHBondContact O-N 2.93Å; K172-E175 PolarHBondContact O-N 3.33Å; K172-N176 PolarHBondContact O-N 2.8Å; K172-N176 VanDerWaalsContact O-N 3.17Å
173L68.9Low78.2Confident99 Ų9952.7 Ų52.752%0.51827%0.27SS..Hα-helixtrans-65.8-31.3173.2-69.4174.6000112.7T171 K177T171-L173 PolarHBondContact O-N 3.15Å; T171-L173 VanDerWaalsContact O-N 3.1Å; L173-K177 WeakPolarHBondContact O-CG 3.28Å; L173-K177 PolarHBondContact O-N 3.4Å; L173-K177 VanDerWaalsContact O-N 3.11Å
174Y75.8Confident78.2Confident70 Ų7054.1 Ų54.128%0.27528%0.277SS..Hα-helixtrans-67.7-39.7175.1-67.2-99.7000110.5T171 K172 K177 K178 L1032 R1035T171-Y174 VanDerWaalsContact O-CB 3.27Å; T171-Y174 WeakPolarHBondContact O-CB 3.37Å; T171-Y174 WeakPolarHBondContact O-CD2 3.39Å; T171-Y174 PolarHBondContact O-N 2.67Å; K172-Y174 VanDerWaalsContact C-N 3.28Å; K172-Y174 PolarHBondContact O-N 2.93Å; Y174-K177 PolarHBondContact O-N 3.2Å; Y174-K178 WeakPolarHBondContact O-CB 3.37Å; Y174-K178 PolarHBondContact O-N 3.32Å; Y174-L1032 HydrophobicContact CD1-CB 4.1Å; Y174-L1032 HydrophobicContact CD1-CD2 3.46Å; Y174-L1032 VanDerWaalsContact CD1-CD2 3.46Å; Y174-L1032 HydrophobicContact CD1-CG 4.34Å; Y174-L1032 HydrophobicContact CE1-CD2 3.74Å; Y174-R1035 HydrophobicContact CE1-CB 4.19Å
175E72.6Confident78.6Confident71 Ų7154.1 Ų54.133%0.33228%0.277SS..Hα-helixtrans-62.1-47.5175.3-63.3-166145.600112.1K172 K177 K178 E179 K1036K172-E175 PolarHBondContact O-N 3.33Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 3.01Å; E175-K178 CarbonylContact O-C 3.55Å; E175-K178 WeakPolarHBondContact O-CB 3.42Å; E175-K178 PolarHBondContact O-N 3.39Å; E175-K178 VanDerWaalsContact O-N 3.1Å; E175-E179 PolarHBondContact O-N 2.75Å; E175-K1036 IonicContact OE1-NZ 2.74Å; E175-K1036 PolarHBondContact OE1-NZ 3.44Å
176N73.1Confident78.7Confident94 Ų9460.4 Ų60.450%0.50331%0.306SS..Hα-helixtrans-59.8-39.2177.3-68.4-12.5000111.7K172 A180K172-N176 PolarHBondContact O-N 2.8Å; K172-N176 VanDerWaalsContact O-N 3.17Å; N176-A180 PolarHBondContact O-N 3.21Å
177K76.5Confident78.8Confident139 Ų13967.2 Ų67.260%0.60434%0.335SS*.Hα-helixtrans-68.5-39.6174.9-75.5-178.5178.7-178.80112.1L173 Y174 E175 A180 A181 L1032L173-K177 WeakPolarHBondContact O-CG 3.28Å; L173-K177 PolarHBondContact O-N 3.4Å; L173-K177 VanDerWaalsContact O-N 3.11Å; Y174-K177 PolarHBondContact O-N 3.2Å; E175-K177 VanDerWaalsContact C-N 3.26Å; E175-K177 PolarHBondContact O-N 3.01Å; K177-A180 PolarHBondContact O-N 3.44Å; K177-A181 WeakPolarHBondContact O-CB 3.13Å; K177-A181 PolarHBondContact O-N 3.2Å; K177-L1032 HydrophobicContact CB-CD1 4.47Å
178K82.1Confident79.4Confident61 Ų6168.6 Ų68.627%0.26534%0.341SS..Hα-helixtrans-61.9-45.6174.8178176.3-178168.80111.1Y174 E175 A180 A181 L182 I1029 D1033Y174-K178 WeakPolarHBondContact O-CB 3.37Å; Y174-K178 PolarHBondContact O-N 3.32Å; E175-K178 CarbonylContact O-C 3.55Å; E175-K178 WeakPolarHBondContact O-CB 3.42Å; E175-K178 PolarHBondContact O-N 3.39Å; E175-K178 VanDerWaalsContact O-N 3.1Å; K178-A180 VanDerWaalsContact C-N 3.32Å; K178-A180 PolarHBondContact O-N 3.37Å; K178-A181 CarbonylContact O-C 3.43Å; K178-A181 WeakPolarHBondContact O-CB 3.5Å; K178-A181 PolarHBondContact O-N 3.42Å; K178-A181 VanDerWaalsContact O-N 3.11Å; K178-L182 HydrophobicContact CG-CD1 4.06Å; K178-L182 HydrophobicContact CG-CG 4.34Å; K178-L182 WeakPolarHBondContact O-CB 3.08Å; K178-L182 WeakPolarHBondContact O-CG 3.44Å; K178-L182 PolarHBondContact O-N 3.09Å; K178-I1029 HydrophobicContact CD-CG2 4.22Å; K178-I1029 HydrophobicContact CG-CG2 4.07Å; K178-D1033 WeakPolarHBondContact CD-OD1 3.34Å; K178-D1033 IonicContact NZ-OD1 2.72Å; K178-D1033 PolarHBondContact NZ-OD1 3.49Å; K178-D1033 IonicContact NZ-OD2 3.49Å; K178-D1033 PolarHBondContact NZ-OD2 3.11Å
179E80.5Confident80.2Confident99 Ų9970.6 Ų70.646%0.46335%0.351SS..Hα-helixtrans-60.9-41.5177.7-161.1-163.2147.200111.5E175 L182 K183E175-E179 PolarHBondContact O-N 2.75Å; E179-L182 PolarHBondContact O-N 3.4Å; E179-K183 WeakPolarHBondContact O-CG 3.42Å; E179-K183 PolarHBondContact O-N 2.93Å; E179-K183 WeakPolarHBondContact OE1-CE 3.36Å; E179-K183 IonicContact OE1-NZ 3.6Å; E179-K183 PolarHBondContact OE1-NZ 3.48Å
180A78.2Confident80.7Confident55 Ų5573 Ų7346%0.45537%0.367SS..Hα-helixtrans-65.3-37.917400000112.8N176 K177 K178 T184N176-A180 PolarHBondContact O-N 3.21Å; K177-A180 PolarHBondContact O-N 3.44Å; K178-A180 VanDerWaalsContact C-N 3.32Å; K178-A180 PolarHBondContact O-N 3.37Å; A180-T184 PolarHBondContact O-N 3.05Å; A180-T184 PolarHBondContact O-OG1 2.86Å
181A85Confident81.3Confident17 Ų1777 Ų7714%0.1438%0.38CS..Hα-helixtrans-67.6-42.9175.600000111.9K177 K178 K183 T184 I185 I1025 I1029K177-A181 WeakPolarHBondContact O-CB 3.13Å; K177-A181 PolarHBondContact O-N 3.2Å; K178-A181 CarbonylContact O-C 3.43Å; K178-A181 WeakPolarHBondContact O-CB 3.5Å; K178-A181 PolarHBondContact O-N 3.42Å; K178-A181 VanDerWaalsContact O-N 3.11Å; A181-K183 PolarHBondContact O-N 3.08Å; A181-T184 CarbonylContact O-C 3.57Å; A181-T184 WeakPolarHBondContact O-CA 3.47Å; A181-T184 VanDerWaalsContact O-CB 3.31Å; A181-T184 WeakPolarHBondContact O-CB 3.49Å; A181-T184 PolarHBondContact O-N 3.34Å; A181-I185 PolarHBondContact O-N 3.46Å; A181-I1025 HydrophobicContact CB-CG2 3.99Å; A181-I1029 HydrophobicContact CB-CD1 3.85Å; A181-I1029 HydrophobicContact CB-CG1 3.8Å
182L87.3Confident81.9Confident76 Ų7678.2 Ų78.240%0.39839%0.386SS..Hα-helixtrans-59.7-45.6175.1-73.2171.7000111.6K178 E179 T184 I185 E186 I1029K178-L182 HydrophobicContact CG-CD1 4.06Å; K178-L182 HydrophobicContact CG-CG 4.34Å; K178-L182 WeakPolarHBondContact O-CB 3.08Å; K178-L182 WeakPolarHBondContact O-CG 3.44Å; K178-L182 PolarHBondContact O-N 3.09Å; E179-L182 PolarHBondContact O-N 3.4Å; L182-T184 PolarHBondContact O-N 3.35Å; L182-I185 WeakPolarHBondContact O-CB 3.38Å; L182-I185 PolarHBondContact O-N 2.95Å; L182-E186 PolarHBondContact O-N 2.84Å; L182-I1029 HydrophobicContact CD2-CD1 4Å; L182-I1029 HydrophobicContact CG-CD1 4.25Å
183K84.1Confident82.9Confident107 Ų10782.8 Ų82.847%0.46540%0.401SS..Hα-helixtrans-59-28.5172.6-74.6174.3-174.2163.40112.9E179 A181 K187E179-K183 WeakPolarHBondContact O-CG 3.42Å; E179-K183 PolarHBondContact O-N 2.93Å; E179-K183 WeakPolarHBondContact OE1-CE 3.36Å; E179-K183 IonicContact OE1-NZ 3.6Å; E179-K183 PolarHBondContact OE1-NZ 3.48Å; A181-K183 PolarHBondContact O-N 3.08Å; K183-K187 WeakPolarHBondContact O-CG 3.39Å
184T84.9Confident83.9Confident63 Ų6383.5 Ų83.539%0.38740%0.402SS..Hα-helixtrans-78.3-37.7176-53.90000111.5A180 A181 L182 K187 K188 I1025A180-T184 PolarHBondContact O-N 3.05Å; A180-T184 PolarHBondContact O-OG1 2.86Å; A181-T184 CarbonylContact O-C 3.57Å; A181-T184 WeakPolarHBondContact O-CA 3.47Å; A181-T184 VanDerWaalsContact O-CB 3.31Å; A181-T184 WeakPolarHBondContact O-CB 3.49Å; A181-T184 PolarHBondContact O-N 3.34Å; L182-T184 PolarHBondContact O-N 3.35Å; T184-K187 PolarHBondContact O-N 3.31Å; T184-K188 WeakPolarHBondContact O-CG 3.23Å; T184-K188 PolarHBondContact O-N 3.46Å; T184-K188 VanDerWaalsContact O-N 3.13Å; T184-I1025 HydrophobicContact CG2-CD1 3.92Å
185I88.4Confident84.6Confident12 Ų1280.9 Ų80.96%0.06239%0.392CS..Hα-helixtrans-61.3-46.4172.5-70178.7000110.7A181 L182 K187 K188 D189 K1022 I1025 I1029A181-I185 PolarHBondContact O-N 3.46Å; L182-I185 WeakPolarHBondContact O-CB 3.38Å; L182-I185 PolarHBondContact O-N 2.95Å; I185-K187 VanDerWaalsContact C-N 3.28Å; I185-K187 PolarHBondContact O-N 3.47Å; I185-K188 CarbonylContact O-C 3.46Å; I185-K188 WeakPolarHBondContact O-CA 3.46Å; I185-K188 WeakPolarHBondContact O-CB 3.44Å; I185-K188 PolarHBondContact O-N 3.15Å; I185-D189 PolarHBondContact O-N 2.91Å; I185-K1022 HydrophobicContact CG2-CD 4.49Å; I185-K1022 HydrophobicContact CG2-CG 4.36Å; I185-I1025 HydrophobicContact CD1-CB 4.39Å; I185-I1025 HydrophobicContact CD1-CG2 3.87Å; I185-I1025 HydrophobicContact CG1-CB 4.15Å; I185-I1025 HydrophobicContact CG1-CG2 3.68Å; I185-I1029 HydrophobicContact CD1-CD1 3.53Å
186E87.3Confident85.4Confident134 Ų13479.8 Ų79.863%0.62639%0.389SS*.Hα-helixtrans-56.3-41.6178.2-74.7-179.9167.400112.5L182 D189 S190L182-E186 PolarHBondContact O-N 2.84Å; E186-D189 PolarHBondContact O-N 2.95Å; E186-S190 PolarHBondContact O-N 2.74Å
187K85.5Confident86.2Confident157 Ų15782.7 Ų82.768%0.68339%0.393SS*.Hα-helixtrans-64.5-39.5175.2-70.7175.9-177.21790112.1K183 T184 I185 K191K183-K187 WeakPolarHBondContact O-CG 3.39Å; T184-K187 PolarHBondContact O-N 3.31Å; I185-K187 VanDerWaalsContact C-N 3.28Å; I185-K187 PolarHBondContact O-N 3.47Å; K187-K191 PolarHBondContact O-N 3.31Å
188K88.9Confident86.7Confident55 Ų5578.9 Ų78.924%0.23938%0.379CS..Hα-helixtrans-67.9-39176.3-67.5-83.5-176.8167.20111T184 I185 K191 L192 V1018 D1021T184-K188 WeakPolarHBondContact O-CG 3.23Å; T184-K188 PolarHBondContact O-N 3.46Å; T184-K188 VanDerWaalsContact O-N 3.13Å; I185-K188 CarbonylContact O-C 3.46Å; I185-K188 WeakPolarHBondContact O-CA 3.46Å; I185-K188 WeakPolarHBondContact O-CB 3.44Å; I185-K188 PolarHBondContact O-N 3.15Å; K188-K191 PolarHBondContact O-N 3.46Å; K188-L192 WeakPolarHBondContact O-CB 3.31Å; K188-L192 PolarHBondContact O-N 3.35Å; K188-V1018 HydrophobicContact CB-CG1 4.31Å; K188-V1018 HydrophobicContact CD-CG1 4.19Å; K188-D1021 IonicContact NZ-OD2 3.87Å; K188-D1021 PolarHBondContact NZ-OD2 3.26Å
189D88.9Confident87Confident45 Ų4576.3 Ų76.324%0.24137%0.368CS..Hα-helixtrans-66.5-36.6176-82.1-20.5000113.2I185 E186 K191 L192 R193 K1022I185-D189 PolarHBondContact O-N 2.91Å; E186-D189 PolarHBondContact O-N 2.95Å; D189-K191 VanDerWaalsContact C-N 3.31Å; D189-L192 PolarHBondContact O-N 2.94Å; D189-R193 WeakPolarHBondContact O-CG 3.49Å; D189-R193 PolarHBondContact O-N 3.4Å; D189-R193 PolarHBondContact O-NE 2.87Å; D189-K1022 VanDerWaalsContact CG-NZ 3.28Å; D189-K1022 WeakPolarHBondContact OD1-CD 3.49Å; D189-K1022 VanDerWaalsContact OD1-CE 3.3Å; D189-K1022 WeakPolarHBondContact OD1-CE 3.42Å; D189-K1022 IonicContact OD1-NZ 3.27Å; D189-K1022 PolarHBondContact OD1-NZ 2.8Å; D189-K1022 IonicContact OD2-NZ 3.56Å; D189-K1022 PolarHBondContact OD2-NZ 2.65Å; D189-K1022 VanDerWaalsContact OD2-NZ 3.11Å
190S88.5Confident87.4Confident67 Ų6776 Ų7647%0.46937%0.372SS..Hα-helixtrans-60.2-43.9170.3-172.60000111.6E186 R193 E194E186-S190 PolarHBondContact O-N 2.74Å; S190-R193 PolarHBondContact O-N 2.88Å; S190-E194 PolarHBondContact O-N 3.3Å; S190-E194 VanDerWaalsContact O-N 3.16Å
191K86Confident87.9Confident124 Ų12478.5 Ų78.554%0.53938%0.375SS..Hα-helixtrans-71.6-33.8-178.8-163.6159-171.5166.80112.5K187 K188 D189 E194 I195K187-K191 PolarHBondContact O-N 3.31Å; K188-K191 PolarHBondContact O-N 3.46Å; D189-K191 VanDerWaalsContact C-N 3.31Å; K191-E194 PolarHBondContact O-N 3.27Å; K191-I195 WeakPolarHBondContact O-CG1 3.23Å; K191-I195 PolarHBondContact O-N 3.26Å; K191-I195 VanDerWaalsContact O-N 3.11Å
192L89.7Confident88Confident24 Ų2482 Ų8213%0.12639%0.391CS..Hα-helixtrans-64.6-47.2173.9-166.9118.6000111.2K188 D189 E194 I195 D196 Q1015 V1018 L1019K188-L192 WeakPolarHBondContact O-CB 3.31Å; K188-L192 PolarHBondContact O-N 3.35Å; D189-L192 PolarHBondContact O-N 2.94Å; L192-E194 VanDerWaalsContact C-N 3.25Å; L192-E194 PolarHBondContact O-N 3.29Å; L192-I195 PolarHBondContact O-N 2.83Å; L192-I195 VanDerWaalsContact O-N 3.12Å; L192-D196 VanDerWaalsContact CD2-OD2 3.32Å; L192-D196 WeakPolarHBondContact CD2-OD2 3.31Å; L192-D196 VanDerWaalsContact O-CG 3.3Å; L192-D196 PolarHBondContact O-N 3.33Å; L192-Q1015 HydrophobicContact CD1-CG 4.45Å; L192-V1018 HydrophobicContact CB-CG1 4.34Å; L192-V1018 HydrophobicContact CD1-CG1 4.11Å; L192-L1019 HydrophobicContact CD1-CD1 4.35Å; L192-L1019 HydrophobicContact CD1-CD2 3.45Å; L192-L1019 VanDerWaalsContact CD1-CD2 3.45Å; L192-L1019 HydrophobicContact CD1-CG 3.51Å
193R89.3Confident88Confident170 Ų17079.1 Ų79.164%0.64238%0.376SS*.Hα-helixtrans-57.5-37.9174.8-76.7-176.2-73.8165.7-5.8112.8D189 S190 R197D189-R193 WeakPolarHBondContact O-CG 3.49Å; D189-R193 PolarHBondContact O-N 3.4Å; D189-R193 PolarHBondContact O-NE 2.87Å; S190-R193 PolarHBondContact O-N 2.88Å; R193-R197 VanDerWaalsContact O-CB 3.23Å; R193-R197 WeakPolarHBondContact O-CB 3.14Å; R193-R197 PolarHBondContact O-N 2.78Å
194E89.2Confident88.3Confident114 Ų11477.2 Ų77.253%0.53337%0.371SS..Hα-helixtrans-64.1-46.2175.5-171.5-176.5-179.800111.8S190 K191 L192 R197 I198S190-E194 PolarHBondContact O-N 3.3Å; S190-E194 VanDerWaalsContact O-N 3.16Å; K191-E194 PolarHBondContact O-N 3.27Å; L192-E194 VanDerWaalsContact C-N 3.25Å; L192-E194 PolarHBondContact O-N 3.29Å; E194-R197 PolarHBondContact O-N 3.39Å; E194-I198 HydrophobicContact CG-CD1 4.31Å; E194-I198 WeakPolarHBondContact O-CG1 3.44Å; E194-I198 PolarHBondContact O-N 3.49Å
195I89.7Confident88.5Confident14 Ų1477.1 Ų77.17%0.07237%0.371CS..Hα-helixtrans-63.2-45.4176.9-66.2166.4000110.9K191 L192 R197 I198 L199 R1014 Q1015 V1018K191-I195 WeakPolarHBondContact O-CG1 3.23Å; K191-I195 PolarHBondContact O-N 3.26Å; K191-I195 VanDerWaalsContact O-N 3.11Å; L192-I195 PolarHBondContact O-N 2.83Å; L192-I195 VanDerWaalsContact O-N 3.12Å; I195-R197 VanDerWaalsContact C-N 3.28Å; I195-R197 PolarHBondContact O-N 3.14Å; I195-I198 PolarHBondContact O-N 2.92Å; I195-L199 HydrophobicContact CG2-CD1 3.86Å; I195-L199 WeakPolarHBondContact O-CB 3.49Å; I195-L199 PolarHBondContact O-N 2.73Å; I195-R1014 HydrophobicContact CD1-CB 4.33Å; I195-Q1015 HydrophobicContact CG2-CB 3.99Å; I195-Q1015 HydrophobicContact CG2-CG 4.35Å; I195-V1018 HydrophobicContact CD1-CG2 4.34Å
196D89.4Confident88.4Confident48 Ų4879.8 Ų79.826%0.25739%0.388SS..Hα-helixtrans-61.8-39.4179-69.8-14.4000111.4L192 L199 T200 Q1015L192-D196 VanDerWaalsContact CD2-OD2 3.32Å; L192-D196 WeakPolarHBondContact CD2-OD2 3.31Å; L192-D196 VanDerWaalsContact O-CG 3.3Å; L192-D196 PolarHBondContact O-N 3.33Å; D196-L199 PolarHBondContact O-N 3.1Å; D196-T200 VanDerWaalsContact O-CB 3.23Å; D196-T200 WeakPolarHBondContact O-CB 3.19Å; D196-T200 PolarHBondContact O-N 3.37Å; D196-T200 PolarHBondContact O-OG1 3.22Å; D196-Q1015 PolarHBondContact OD1-NE2 2.85Å
197R89.9Confident88.5Confident156 Ų15674 Ų7459%0.58936%0.362SS*.Hα-helixtrans-63.9-49.1176.8-170.8178.7179.6178.3-0.1111.2R193 E194 I195 L199 T200 E201R193-R197 VanDerWaalsContact O-CB 3.23Å; R193-R197 WeakPolarHBondContact O-CB 3.14Å; R193-R197 PolarHBondContact O-N 2.78Å; E194-R197 PolarHBondContact O-N 3.39Å; I195-R197 VanDerWaalsContact C-N 3.28Å; I195-R197 PolarHBondContact O-N 3.14Å; R197-L199 VanDerWaalsContact C-N 3.33Å; R197-L199 PolarHBondContact O-N 2.84Å; R197-T200 PolarHBondContact O-N 3.4Å; R197-E201 HydrophobicContact CG-CG 4.05Å; R197-E201 WeakPolarHBondContact CG-OE1 3.31Å; R197-E201 WeakPolarHBondContact CG-OE2 3.42Å; R197-E201 IonicContact CZ-OE1 3.03Å; R197-E201 IonicContact CZ-OE2 3.87Å; R197-E201 VanDerWaalsContact NE-CD 3.32Å; R197-E201 IonicContact NE-OE1 2.68Å; R197-E201 PolarHBondContact NE-OE1 2.89Å; R197-E201 IonicContact NE-OE2 3.65Å; R197-E201 PolarHBondContact NE-OE2 3.02Å; R197-E201 IonicContact NH2-OE1 2.65Å; R197-E201 IonicContact NH2-OE2 2.8Å; R197-E201 PolarHBondContact NH2-OE2 3.46Å; R197-E201 VanDerWaalsContact O-CB 3.29Å; R197-E201 WeakPolarHBondContact O-CB 3.36Å; R197-E201 PolarHBondContact O-N 3.04Å
198I88.8Confident88.6Confident59 Ų5973 Ų7330%0.30336%0.357SS..Hα-helixtrans-62-42177.6-64.7165.4000110.9E194 I195 T200 D202 I203 L1011E194-I198 HydrophobicContact CG-CD1 4.31Å; E194-I198 WeakPolarHBondContact O-CG1 3.44Å; E194-I198 PolarHBondContact O-N 3.49Å; I195-I198 PolarHBondContact O-N 2.92Å; I198-T200 VanDerWaalsContact C-N 3.35Å; I198-T200 PolarHBondContact O-N 2.97Å; I198-D202 WeakPolarHBondContact O-CB 3.5Å; I198-D202 PolarHBondContact O-N 3.11Å; I198-D202 VanDerWaalsContact O-N 3.1Å; I198-I203 HydrophobicContact CG2-CG1 4.2Å; I198-I203 PolarHBondContact O-N 3.23Å; I198-I203 VanDerWaalsContact O-N 3.08Å; I198-L1011 HydrophobicContact CG2-CD1 3.82Å
199L88.5Confident88.5Confident7 Ų776.6 Ų76.64%0.03737%0.373CS..Iπ-helixtrans-60.7-45.2175.6-83.3165.9000111.5I195 D196 R197 N204 Y1008 L1011 I1012I195-L199 HydrophobicContact CG2-CD1 3.86Å; I195-L199 WeakPolarHBondContact O-CB 3.49Å; I195-L199 PolarHBondContact O-N 2.73Å; D196-L199 PolarHBondContact O-N 3.1Å; R197-L199 VanDerWaalsContact C-N 3.33Å; R197-L199 PolarHBondContact O-N 2.84Å; L199-N204 WeakPolarHBondContact O-CB 3.34Å; L199-N204 PolarHBondContact O-N 2.99Å; L199-N204 PolarHBondContact O-ND2 3.48Å; L199-N204 VanDerWaalsContact O-ND2 3.13Å; L199-Y1008 HydrophobicContact CD2-CD2 3.57Å; L199-Y1008 HydrophobicContact CD2-CE2 3.75Å; L199-L1011 HydrophobicContact CD1-CB 4.41Å; L199-L1011 HydrophobicContact CD2-CB 3.96Å; L199-L1011 HydrophobicContact CD2-CD1 4.29Å; L199-L1011 HydrophobicContact CG-CB 4.13Å; L199-L1011 HydrophobicContact CG-CD1 4.37Å; L199-I1012 HydrophobicContact CD1-CD1 3.93Å; L199-I1012 HydrophobicContact CD2-CD1 4.24Å; L199-I1012 HydrophobicContact CD2-CG1 4.36Å
200T87.4Confident88.4Confident91 Ų9175.1 Ų75.156%0.55837%0.365SS*.Iπ-helixtrans-78.8-45.2-173.4-53.80000113.4D196 R197 I198 P205D196-T200 VanDerWaalsContact O-CB 3.23Å; D196-T200 WeakPolarHBondContact O-CB 3.19Å; D196-T200 PolarHBondContact O-N 3.37Å; D196-T200 PolarHBondContact O-OG1 3.22Å; R197-T200 PolarHBondContact O-N 3.4Å; I198-T200 VanDerWaalsContact C-N 3.35Å; I198-T200 PolarHBondContact O-N 2.97Å; T200-P205 VanDerWaalsContact O-CD 3.23Å; T200-P205 WeakPolarHBondContact O-CD 3.13Å; T200-P205 WeakPolarHBondContact O-CG 3.44Å
201E88.4Confident88.2Confident109 Ų10978.7 Ų78.751%0.50937%0.368SS..Iπ-helixtrans-84.8-35.7-173.2-65.3-177.5-177.200111.9R197 P205R197-E201 HydrophobicContact CG-CG 4.05Å; R197-E201 WeakPolarHBondContact CG-OE1 3.31Å; R197-E201 WeakPolarHBondContact CG-OE2 3.42Å; R197-E201 IonicContact CZ-OE1 3.03Å; R197-E201 IonicContact CZ-OE2 3.87Å; R197-E201 VanDerWaalsContact NE-CD 3.32Å; R197-E201 IonicContact NE-OE1 2.68Å; R197-E201 PolarHBondContact NE-OE1 2.89Å; R197-E201 IonicContact NE-OE2 3.65Å; R197-E201 PolarHBondContact NE-OE2 3.02Å; R197-E201 IonicContact NH2-OE1 2.65Å; R197-E201 IonicContact NH2-OE2 2.8Å; R197-E201 PolarHBondContact NH2-OE2 3.46Å; R197-E201 VanDerWaalsContact O-CB 3.29Å; R197-E201 WeakPolarHBondContact O-CB 3.36Å; R197-E201 PolarHBondContact O-N 3.04Å; E201-P205 WeakPolarHBondContact O-CG 3.28Å
202D87.7Confident88.1Confident90 Ų9077.9 Ų77.948%0.48137%0.366SS..Iπ-helixtrans-109.5-57.1-171.3-59.5-30.1000112.8I198 T206I198-D202 WeakPolarHBondContact O-CB 3.5Å; I198-D202 PolarHBondContact O-N 3.11Å; I198-D202 VanDerWaalsContact O-N 3.1Å; D202-T206 VanDerWaalsContact O-CB 3.29Å; D202-T206 WeakPolarHBondContact O-CB 3.38Å; D202-T206 PolarHBondContact O-N 2.94Å; D202-T206 PolarHBondContact O-OG1 3.42Å
203I88.2Confident87.9Confident16 Ų1678.4 Ų78.48%0.08237%0.368CS..Iπ-helixtrans-79.2-47.3-166.5-58.9-66.7000112.3I198 T206 I207 Q1007 Y1008 L1011I198-I203 HydrophobicContact CG2-CG1 4.2Å; I198-I203 PolarHBondContact O-N 3.23Å; I198-I203 VanDerWaalsContact O-N 3.08Å; I203-T206 PolarHBondContact O-N 3.22Å; I203-I207 HydrophobicContact CG2-CD1 3.89Å; I203-I207 HydrophobicContact CG2-CG1 4.37Å; I203-I207 WeakPolarHBondContact O-CG1 3.21Å; I203-I207 PolarHBondContact O-N 2.91Å; I203-Q1007 HydrophobicContact CD1-CB 4.27Å; I203-Y1008 HydrophobicContact CG2-CD2 3.92Å; I203-Y1008 HydrophobicContact CG2-CG 4.34Å; I203-L1011 HydrophobicContact CD1-CD1 4.48Å; I203-L1011 HydrophobicContact CG1-CD1 3.8Å
204N89.3Confident87.5Confident66 Ų6674.8 Ų74.835%0.35335%0.354SS..Hα-helixtrans-61.8-46.1-179.1-76.4-25.6000112.8L199 T206 I207 K208 Y1008L199-N204 WeakPolarHBondContact O-CB 3.34Å; L199-N204 PolarHBondContact O-N 2.99Å; L199-N204 PolarHBondContact O-ND2 3.48Å; L199-N204 VanDerWaalsContact O-ND2 3.13Å; N204-T206 VanDerWaalsContact C-N 3.29Å; N204-T206 PolarHBondContact O-N 3.4Å; N204-I207 PolarHBondContact O-N 3.49Å; N204-K208 WeakPolarHBondContact O-CB 3.35Å; N204-K208 PolarHBondContact O-N 2.93Å; N204-Y1008 VanDerWaalsContact OD1-CE2 3.22Å; N204-Y1008 WeakPolarHBondContact OD1-CE2 3.41Å
205P89.3Confident87.2Confident62 Ų6272.7 Ų72.740%0.40335%0.352SS..Hα-helixtrans-61.7-39.5175.6-25.437.9000111.9T200 E201 K208 K209T200-P205 VanDerWaalsContact O-CD 3.23Å; T200-P205 WeakPolarHBondContact O-CD 3.13Å; T200-P205 WeakPolarHBondContact O-CG 3.44Å; E201-P205 WeakPolarHBondContact O-CG 3.28Å; P205-K208 PolarHBondContact O-N 3.48Å; P205-K209 WeakPolarHBondContact O-CB 3.48Å; P205-K209 PolarHBondContact O-N 3.27Å
206T87.5Confident86.9Confident68 Ų6873.5 Ų73.542%0.41736%0.359SS..Hα-helixtrans-64-46.1177.6-600000111.9D202 I203 N204 K209 L210D202-T206 VanDerWaalsContact O-CB 3.29Å; D202-T206 WeakPolarHBondContact O-CB 3.38Å; D202-T206 PolarHBondContact O-N 2.94Å; D202-T206 PolarHBondContact O-OG1 3.42Å; I203-T206 PolarHBondContact O-N 3.22Å; N204-T206 VanDerWaalsContact C-N 3.29Å; N204-T206 PolarHBondContact O-N 3.4Å; T206-K209 PolarHBondContact O-N 2.92Å; T206-L210 HydrophobicContact CG2-CD1 3.8Å; T206-L210 HydrophobicContact CG2-CG 4.45Å; T206-L210 WeakPolarHBondContact O-CB 3.44Å; T206-L210 VanDerWaalsContact O-CG 3.23Å; T206-L210 WeakPolarHBondContact O-CG 3.35Å; T206-L210 PolarHBondContact O-N 2.96Å
207I88.1Confident86.6Confident13 Ų1373.8 Ų73.87%0.06736%0.357CS..Hα-helixtrans-63-45.1176.2-73.8178.7000111.2I203 N204 K209 L210 R211 L1001 A1004 E1005 Y1008I203-I207 HydrophobicContact CG2-CD1 3.89Å; I203-I207 HydrophobicContact CG2-CG1 4.37Å; I203-I207 WeakPolarHBondContact O-CG1 3.21Å; I203-I207 PolarHBondContact O-N 2.91Å; N204-I207 PolarHBondContact O-N 3.49Å; I207-K209 PolarHBondContact O-N 2.98Å; I207-L210 PolarHBondContact O-N 2.55Å; I207-R211 HydrophobicContact CG2-CG 4.35Å; I207-R211 WeakPolarHBondContact O-CB 3.46Å; I207-R211 WeakPolarHBondContact O-CG 3.37Å; I207-R211 PolarHBondContact O-N 3.38Å; I207-L1001 HydrophobicContact CG2-CD1 4.34Å; I207-A1004 HydrophobicContact CD1-CB 4.5Å; I207-A1004 HydrophobicContact CG1-CB 3.79Å; I207-E1005 HydrophobicContact CD1-CG 4.36Å; I207-Y1008 HydrophobicContact CD1-CD2 4.05Å; I207-Y1008 HydrophobicContact CD1-CG 3.83Å
208K87.1Confident86.2Confident136 Ų13670.2 Ų70.259%0.59135%0.35SS*.Hα-helixtrans-57.8-51.2179.1-176.6-179.3176.2-174.90110.6N204 P205 L210 R211 E212N204-K208 WeakPolarHBondContact O-CB 3.35Å; N204-K208 PolarHBondContact O-N 2.93Å; P205-K208 PolarHBondContact O-N 3.48Å; K208-L210 PolarHBondContact O-N 2.65Å; K208-R211 PolarHBondContact O-N 2.58Å; K208-E212 WeakPolarHBondContact CE-OE1 3.42Å; K208-E212 WeakPolarHBondContact O-CG 3.38Å; K208-E212 PolarHBondContact O-N 2.9Å; K208-E212 VanDerWaalsContact O-N 3.1Å
209K87Confident85.9Confident129 Ų12970.2 Ų70.256%0.56135%0.348SS*.Hα-helixtrans-58.3-46.8177.7-173.9179.4177.1-178.10111.9P205 T206 I207 R211 E212 E213P205-K209 WeakPolarHBondContact O-CB 3.48Å; P205-K209 PolarHBondContact O-N 3.27Å; T206-K209 PolarHBondContact O-N 2.92Å; I207-K209 PolarHBondContact O-N 2.98Å; K209-R211 VanDerWaalsContact C-N 3.34Å; K209-R211 PolarHBondContact O-N 2.72Å; K209-E212 PolarHBondContact O-N 3.22Å; K209-E213 VanDerWaalsContact CE-OE1 3.27Å; K209-E213 WeakPolarHBondContact CE-OE1 3.36Å; K209-E213 WeakPolarHBondContact O-CG 3.33Å; K209-E213 PolarHBondContact O-N 3.41Å
210L86.7Confident85.7Confident14 Ų1472.7 Ų72.77%0.07336%0.357CS..Hα-helixtrans-67.2-31.4-179.7-71.9171.6000113.3T206 I207 K208 R214 M1000 L1001 A1004T206-L210 HydrophobicContact CG2-CD1 3.8Å; T206-L210 HydrophobicContact CG2-CG 4.45Å; T206-L210 WeakPolarHBondContact O-CB 3.44Å; T206-L210 VanDerWaalsContact O-CG 3.23Å; T206-L210 WeakPolarHBondContact O-CG 3.35Å; T206-L210 PolarHBondContact O-N 2.96Å; I207-L210 PolarHBondContact O-N 2.55Å; K208-L210 PolarHBondContact O-N 2.65Å; L210-R214 WeakPolarHBondContact O-CB 3.33Å; L210-R214 PolarHBondContact O-N 2.9Å; L210-M1000 HydrophobicContact CD1-CB 3.98Å; L210-M1000 HydrophobicContact CD2-CB 3.78Å; L210-M1000 HydrophobicContact CD2-SD 4.41Å; L210-L1001 HydrophobicContact CB-CB 4.15Å; L210-L1001 HydrophobicContact CB-CD1 3.82Å; L210-A1004 HydrophobicContact CD1-CB 4.05Å
211R85Confident85.5Confident143 Ų14371.5 Ų71.554%0.5435%0.345SS..Hα-helixtrans-68.1-42.4173.2-76.8-178.5175177.30.3111.9I207 K208 K209 R214 S215 L1001 E1005I207-R211 HydrophobicContact CG2-CG 4.35Å; I207-R211 WeakPolarHBondContact O-CB 3.46Å; I207-R211 WeakPolarHBondContact O-CG 3.37Å; I207-R211 PolarHBondContact O-N 3.38Å; K208-R211 PolarHBondContact O-N 2.58Å; K209-R211 VanDerWaalsContact C-N 3.34Å; K209-R211 PolarHBondContact O-N 2.72Å; R211-R214 PolarHBondContact O-N 2.83Å; R211-S215 WeakPolarHBondContact O-CB 3.38Å; R211-S215 PolarHBondContact O-N 3.08Å; R211-L1001 HydrophobicContact CG-CD1 3.75Å; R211-L1001 HydrophobicContact CG-CD2 4.08Å; R211-E1005 IonicContact CZ-OE1 3.08Å; R211-E1005 IonicContact NE-OE1 3.51Å; R211-E1005 PolarHBondContact NE-OE1 2.93Å; R211-E1005 IonicContact NH2-OE1 3.85Å; R211-E1005 PolarHBondContact NH2-OE1 3.38Å
212E84.3Confident85.3Confident106 Ų10673 Ų7350%0.49535%0.351SS..Hα-helixtrans-61.8-43.8174.6-69.8168.9-173.300111K208 K209 S215 S216K208-E212 WeakPolarHBondContact CE-OE1 3.42Å; K208-E212 WeakPolarHBondContact O-CG 3.38Å; K208-E212 PolarHBondContact O-N 2.9Å; K208-E212 VanDerWaalsContact O-N 3.1Å; K209-E212 PolarHBondContact O-N 3.22Å; E212-S215 PolarHBondContact O-N 3.31Å; E212-S216 WeakPolarHBondContact O-CB 3.44Å; E212-S216 PolarHBondContact O-N 2.81Å; E212-S216 PolarHBondContact O-OG 2.86Å
213E84.5Confident85.3Confident36 Ų3669 Ų6917%0.16833%0.329CS..Hα-helixtrans-62.1-44.2175.3-72.2178.2-165.900112.2K209 S216 Y217 N994 A997K209-E213 VanDerWaalsContact CE-OE1 3.27Å; K209-E213 WeakPolarHBondContact CE-OE1 3.36Å; K209-E213 WeakPolarHBondContact O-CG 3.33Å; K209-E213 PolarHBondContact O-N 3.41Å; E213-S216 PolarHBondContact O-N 3.11Å; E213-Y217 PolarHBondContact O-N 3.27Å; E213-N994 HydrophobicContact CB-CB 4.44Å; E213-N994 HydrophobicContact CG-CB 4.43Å; E213-N994 WeakPolarHBondContact OE2-CB 3.43Å; E213-N994 PolarHBondContact OE2-ND2 2.98Å; E213-A997 HydrophobicContact CB-CB 3.77Å
214R82.3Confident85.2Confident93 Ų9370.3 Ų70.335%0.35134%0.338SS..Hα-helixtrans-63-45176.6177.1-178.8170.6-177.1-2.3112.1L210 R211 S216 Y217 L218 M998L210-R214 WeakPolarHBondContact O-CB 3.33Å; L210-R214 PolarHBondContact O-N 2.9Å; R211-R214 PolarHBondContact O-N 2.83Å; R214-S216 VanDerWaalsContact C-N 3.32Å; R214-Y217 PolarHBondContact O-N 3.17Å; R214-L218 HydrophobicContact CG-CD1 4.45Å; R214-L218 PolarHBondContact O-N 3.04Å; R214-L218 VanDerWaalsContact O-N 3.09Å; R214-M998 HydrophobicContact CG-SD 4.08Å
215S82.8Confident84.8Confident70 Ų7075.4 Ų75.449%0.4935%0.352SS..Hα-helixtrans-60.1-46.3178-175.30000110.8R211 E212 Y217 L218 E219R211-S215 WeakPolarHBondContact O-CB 3.38Å; R211-S215 PolarHBondContact O-N 3.08Å; E212-S215 PolarHBondContact O-N 3.31Å; S215-Y217 VanDerWaalsContact C-N 3.3Å; S215-Y217 PolarHBondContact O-N 3.36Å; S215-L218 PolarHBondContact O-N 3.35Å; S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 PolarHBondContact O-N 3.2Å
216S83.2Confident84.7Confident32 Ų3275 Ų7522%0.22435%0.345CS..Hα-helixtrans-59.6-40.2177.8-57.30000111.8E212 E213 R214 Y220E212-S216 WeakPolarHBondContact O-CB 3.44Å; E212-S216 PolarHBondContact O-N 2.81Å; E212-S216 PolarHBondContact O-OG 2.86Å; E213-S216 PolarHBondContact O-N 3.11Å; R214-S216 VanDerWaalsContact C-N 3.32Å; S216-Y220 WeakPolarHBondContact O-CB 3.26Å; S216-Y220 PolarHBondContact O-N 2.72Å
217Y82.1Confident84.6Confident53 Ų5371.9 Ų71.921%0.20833%0.325CS..Hα-helixtrans-64.7-45.5176.7177.4-107.4000113.2E213 R214 S215 E219 Y220 Q221 V993 M995E213-Y217 PolarHBondContact O-N 3.27Å; R214-Y217 PolarHBondContact O-N 3.17Å; S215-Y217 VanDerWaalsContact C-N 3.3Å; S215-Y217 PolarHBondContact O-N 3.36Å; Y217-E219 VanDerWaalsContact C-N 3.33Å; Y217-Y220 WeakPolarHBondContact O-CB 3.46Å; Y217-Y220 PolarHBondContact O-N 3.34Å; Y217-Q221 PolarHBondContact O-N 2.89Å; Y217-Q221 VanDerWaalsContact O-N 3.16Å; Y217-Q221 PolarHBondContact OH-NE2 2.81Å; Y217-V993 HydrophobicContact CD2-CG1 3.46Å; Y217-V993 VanDerWaalsContact CD2-CG1 3.46Å; Y217-V993 HydrophobicContact CE2-CG1 4.47Å; Y217-V993 HydrophobicContact CG-CG1 4.16Å; Y217-M995 HydrophobicContact CD2-CG 4.23Å; Y217-M995 HydrophobicContact CE2-CB 4.29Å; Y217-M995 HydrophobicContact CE2-CE 4.17Å; Y217-M995 HydrophobicContact CE2-CG 3.81Å; Y217-M995 HydrophobicContact CE2-SD 4.43Å
218L81.6Confident84.2Confident82 Ų8276 Ų7643%0.42935%0.348SS..Hα-helixtrans-64.8-40.8178.2-71.7174.9000111.6R214 S215 Q221 K222R214-L218 HydrophobicContact CG-CD1 4.45Å; R214-L218 PolarHBondContact O-N 3.04Å; R214-L218 VanDerWaalsContact O-N 3.09Å; S215-L218 PolarHBondContact O-N 3.35Å; L218-Q221 PolarHBondContact O-N 3.43Å; L218-K222 PolarHBondContact O-N 3.48Å; L218-K222 VanDerWaalsContact O-N 3.17Å
219E83.4Confident83.9Confident59 Ų5974.2 Ų74.228%0.27634%0.341SS..Hα-helixtrans-62.9-45.9176.1-174.5170.8-170.300111.5S215 Y217 Q221 K222 V223 R985 L989S215-E219 WeakPolarHBondContact O-CB 3.38Å; S215-E219 PolarHBondContact O-N 3.2Å; Y217-E219 VanDerWaalsContact C-N 3.33Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 3.28Å; E219-K222 PolarHBondContact O-N 2.99Å; E219-K222 VanDerWaalsContact O-N 3.08Å; E219-V223 HydrophobicContact CG-CG2 4.16Å; E219-V223 WeakPolarHBondContact O-CB 3.24Å; E219-V223 VanDerWaalsContact O-CG2 3.28Å; E219-V223 WeakPolarHBondContact O-CG2 3.36Å; E219-V223 PolarHBondContact O-N 2.96Å; E219-R985 IonicContact OE1-CZ 2.6Å; E219-R985 IonicContact OE1-NE 3.56Å; E219-R985 PolarHBondContact OE1-NE 3.34Å; E219-R985 IonicContact OE1-NH2 3.79Å; E219-R985 PolarHBondContact OE1-NH2 2.76Å; E219-R985 IonicContact OE2-NH2 3.51Å; E219-L989 HydrophobicContact CB-CD1 4.36Å; E219-L989 HydrophobicContact CG-CD1 3.96Å
220Y84.2Confident83.9Confident59 Ų5968.3 Ų68.323%0.23132%0.316CS..Hα-helixtrans-52.8-46.2175173.6-99.4000111.9S216 Y217 K222 V223 V224 R986 L989S216-Y220 WeakPolarHBondContact O-CB 3.26Å; S216-Y220 PolarHBondContact O-N 2.72Å; Y217-Y220 WeakPolarHBondContact O-CB 3.46Å; Y217-Y220 PolarHBondContact O-N 3.34Å; Y220-K222 PolarHBondContact O-N 3.22Å; Y220-V223 PolarHBondContact O-N 2.85Å; Y220-V224 HydrophobicContact CD2-CG2 4.44Å; Y220-V224 HydrophobicContact CE1-CG2 4.24Å; Y220-V224 HydrophobicContact CE2-CG2 4.06Å; Y220-V224 VanDerWaalsContact O-CG2 3.3Å; Y220-V224 WeakPolarHBondContact O-CG2 3.29Å; Y220-V224 PolarHBondContact O-N 2.93Å; Y220-R986 HydrophobicContact CD2-CG 4.18Å; Y220-R986 HydrophobicContact CE2-CG 3.66Å; Y220-L989 HydrophobicContact CD2-CB 4Å
221Q82.5Confident83.7Confident65 Ų6570.5 Ų70.530%0.30433%0.325SS..Hα-helixtrans-63.5-38.6177.6-72.6-166.7-0.400113.7Y217 L218 E219 R225Y217-Q221 PolarHBondContact O-N 2.89Å; Y217-Q221 VanDerWaalsContact O-N 3.16Å; Y217-Q221 PolarHBondContact OH-NE2 2.81Å; L218-Q221 PolarHBondContact O-N 3.43Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 3.28Å; Q221-R225 PolarHBondContact O-N 3.47Å
222K85.3Confident83.6Confident142 Ų14268 Ų6862%0.61732%0.318SS*.Hα-helixtrans-67.8-46.6178.8-176-179.7176.9-178.60110.7L218 E219 Y220 V224 R225 E226L218-K222 PolarHBondContact O-N 3.48Å; L218-K222 VanDerWaalsContact O-N 3.17Å; E219-K222 PolarHBondContact O-N 2.99Å; E219-K222 VanDerWaalsContact O-N 3.08Å; Y220-K222 PolarHBondContact O-N 3.22Å; K222-V224 VanDerWaalsContact C-N 3.35Å; K222-V224 PolarHBondContact O-N 3.1Å; K222-R225 PolarHBondContact O-N 2.75Å; K222-E226 PolarHBondContact O-N 3.48Å
223V87.3Confident83.7Confident6 Ų663.1 Ų63.14%0.03630%0.296CS..Hα-helixtrans-57.6-46.7178.5169.40000110.8E219 Y220 R225 E226 I227 L982 R986E219-V223 HydrophobicContact CG-CG2 4.16Å; E219-V223 WeakPolarHBondContact O-CB 3.24Å; E219-V223 VanDerWaalsContact O-CG2 3.28Å; E219-V223 WeakPolarHBondContact O-CG2 3.36Å; E219-V223 PolarHBondContact O-N 2.96Å; Y220-V223 PolarHBondContact O-N 2.85Å; V223-R225 PolarHBondContact O-N 3.46Å; V223-E226 PolarHBondContact O-N 3.46Å; V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.39Å; V223-I227 VanDerWaalsContact O-CG1 3.24Å; V223-I227 WeakPolarHBondContact O-CG1 3.35Å; V223-I227 PolarHBondContact O-N 3.4Å; V223-L982 HydrophobicContact CB-CD2 4.45Å; V223-L982 HydrophobicContact CG1-CB 4.04Å; V223-L982 HydrophobicContact CG1-CD2 4.12Å; V223-L982 WeakPolarHBondContact CG1-O 3.32Å; V223-L982 HydrophobicContact CG2-CD2 4.01Å; V223-R986 HydrophobicContact CG1-CB 3.89Å
224V85.2Confident83.7Confident43 Ų4362.2 Ų62.226%0.26129%0.292SS..Hα-helixtrans-60.3-42.5178.8170.90000112.1Y220 K222 N228 R986Y220-V224 HydrophobicContact CD2-CG2 4.44Å; Y220-V224 HydrophobicContact CE1-CG2 4.24Å; Y220-V224 HydrophobicContact CE2-CG2 4.06Å; Y220-V224 VanDerWaalsContact O-CG2 3.3Å; Y220-V224 WeakPolarHBondContact O-CG2 3.29Å; Y220-V224 PolarHBondContact O-N 2.93Å; K222-V224 VanDerWaalsContact C-N 3.35Å; K222-V224 PolarHBondContact O-N 3.1Å; V224-N228 PolarHBondContact O-N 3.39Å; V224-R986 HydrophobicContact CG2-CG 3.94Å
225R81.3Confident83.7Confident173 Ų17358.8 Ų58.865%0.65328%0.281SS*.Hα-helixtrans-67.1-41.1177.7-74.6-174.4-115.8-177.7-5.1112.6Q221 K222 V223 H229Q221-R225 PolarHBondContact O-N 3.47Å; K222-R225 PolarHBondContact O-N 2.75Å; V223-R225 PolarHBondContact O-N 3.46Å; R225-H229 PolarHBondContact O-N 2.96Å
226E86.8Confident83.7Confident52 Ų5255.5 Ų55.524%0.24326%0.258CS..Hα-helixtrans-66-43.1179.9-165.9174.2151.900111K222 V223 N228 H229 L230 R978 L982K222-E226 PolarHBondContact O-N 3.48Å; V223-E226 PolarHBondContact O-N 3.46Å; E226-N228 PolarHBondContact O-N 2.88Å; E226-H229 PolarHBondContact O-N 2.83Å; E226-L230 HydrophobicContact CG-CD1 4.02Å; E226-L230 HydrophobicContact CG-CG 4.39Å; E226-L230 VanDerWaalsContact O-CG 3.3Å; E226-L230 WeakPolarHBondContact O-CG 3.34Å; E226-L230 PolarHBondContact O-N 2.89Å; E226-L230 VanDerWaalsContact O-N 3.08Å; E226-R978 IonicContact OE1-CZ 2.64Å; E226-R978 IonicContact OE1-NE 2.56Å; E226-R978 PolarHBondContact OE1-NE 3.46Å; E226-R978 IonicContact OE1-NH2 2.73Å; E226-R978 PolarHBondContact OE1-NH2 2.9Å; E226-R978 VanDerWaalsContact OE1-NH2 3.08Å; E226-R978 IonicContact OE2-NH2 3.42Å; E226-L982 HydrophobicContact CB-CD1 4.07Å; E226-L982 HydrophobicContact CG-CD1 3.73Å
227I85.3Confident83.7Confident3 Ų357.3 Ų57.32%0.01526%0.261CS..Hα-helixtrans-54.3-54.3175.4-70.2164.6000110.8V223 H229 L230 E231 V979 L982 K983 R986V223-I227 HydrophobicContact CG1-CD1 3.73Å; V223-I227 HydrophobicContact CG1-CG1 4.39Å; V223-I227 VanDerWaalsContact O-CG1 3.24Å; V223-I227 WeakPolarHBondContact O-CG1 3.35Å; V223-I227 PolarHBondContact O-N 3.4Å; I227-H229 PolarHBondContact O-N 2.94Å; I227-L230 PolarHBondContact O-N 3.41Å; I227-E231 HydrophobicContact CG2-CG 4.05Å; I227-E231 WeakPolarHBondContact O-CB 3.42Å; I227-E231 WeakPolarHBondContact O-CG 3.38Å; I227-E231 PolarHBondContact O-N 3.18Å; I227-V979 HydrophobicContact CG2-CG1 4.47Å; I227-L982 HydrophobicContact CD1-CB 3.98Å; I227-L982 HydrophobicContact CG1-CB 3.58Å; I227-L982 HydrophobicContact CG1-CD1 4.33Å; I227-K983 HydrophobicContact CD1-CG 3.99Å; I227-K983 HydrophobicContact CG1-CG 4.44Å; I227-K983 HydrophobicContact CG2-CG 4.32Å; I227-R986 HydrophobicContact CD1-CB 4.1Å
228N80.5Confident83.7Confident100 Ų10056.2 Ų56.254%0.53526%0.259SS..Hα-helixtrans-58.1-36.1-175.1-73.2-5.4000112.8V224 E226V224-N228 PolarHBondContact O-N 3.39Å; E226-N228 PolarHBondContact O-N 2.88Å
229H80.1Confident83.7Confident99 Ų9953 Ų5346%0.45824%0.241SC..Hα-helixtrans-75.3-43.4179.4177.163.9000112.4R225 E226 I227 R970R225-H229 PolarHBondContact O-N 2.96Å; E226-H229 PolarHBondContact O-N 2.83Å; I227-H229 PolarHBondContact O-N 2.94Å; H229-R970 PolarHBondContact NE2-NH1 3.1Å
230L86.4Confident83.3Confident4 Ų451.9 Ų51.92%0.02124%0.238CC..Hα-helixtrans-71.4-32-178.8-64.7-177000112.8E226 I227 K232 F233 I234 T975 R978 V979 L982E226-L230 HydrophobicContact CG-CD1 4.02Å; E226-L230 HydrophobicContact CG-CG 4.39Å; E226-L230 VanDerWaalsContact O-CG 3.3Å; E226-L230 WeakPolarHBondContact O-CG 3.34Å; E226-L230 PolarHBondContact O-N 2.89Å; E226-L230 VanDerWaalsContact O-N 3.08Å; I227-L230 PolarHBondContact O-N 3.41Å; L230-K232 PolarHBondContact O-N 2.86Å; L230-F233 WeakPolarHBondContact O-CB 3.44Å; L230-F233 PolarHBondContact O-N 3.37Å; L230-I234 WeakPolarHBondContact O-CG1 3.46Å; L230-I234 PolarHBondContact O-N 3.44Å; L230-T975 HydrophobicContact CB-CG2 3.92Å; L230-T975 HydrophobicContact CD1-CG2 4.32Å; L230-T975 HydrophobicContact CD2-CG2 3.77Å; L230-T975 HydrophobicContact CG-CG2 4.2Å; L230-R978 HydrophobicContact CD1-CB 4.31Å; L230-R978 HydrophobicContact CD1-CG 3.74Å; L230-V979 HydrophobicContact CB-CG2 3.23Å; L230-V979 HydrophobicContact CD1-CG2 3.83Å; L230-V979 HydrophobicContact CG-CG2 4.17Å; L230-L982 HydrophobicContact CD1-CD1 4.02Å
231E84.1Confident82.9Confident60 Ų6050.9 Ų50.928%0.2824%0.239SC..Hα-helixtrans-61.2-42.8177.6-78.4-176.3141.600112.4I227 F233 I234 V235 V979 K983I227-E231 HydrophobicContact CG2-CG 4.05Å; I227-E231 WeakPolarHBondContact O-CB 3.42Å; I227-E231 WeakPolarHBondContact O-CG 3.38Å; I227-E231 PolarHBondContact O-N 3.18Å; E231-F233 VanDerWaalsContact C-N 3.29Å; E231-F233 PolarHBondContact O-N 2.89Å; E231-I234 PolarHBondContact O-N 3.02Å; E231-V235 WeakPolarHBondContact O-CG2 3.18Å; E231-V235 PolarHBondContact O-N 2.83Å; E231-V979 HydrophobicContact CG-CG1 3.83Å; E231-K983 WeakPolarHBondContact OE1-CE 3.29Å; E231-K983 IonicContact OE1-NZ 2.69Å; E231-K983 PolarHBondContact OE1-NZ 3.41Å
232K82.5Confident82.3Confident90 Ų9049 Ų4939%0.39123%0.231SC..Hα-helixtrans-59.4-41.5174.3-72.8-167.6169.3-160.50111.9L230 V235 A236 W950 Y965L230-K232 PolarHBondContact O-N 2.86Å; K232-V235 PolarHBondContact O-N 3.21Å; K232-A236 PolarHBondContact O-N 3.27Å; K232-A236 VanDerWaalsContact O-N 3.15Å; K232-W950 HydrophobicContact CB-CH2 4.2Å; K232-W950 HydrophobicContact CB-CZ2 4.18Å; K232-W950 HydrophobicContact CG-CZ2 4.17Å; K232-W950 WeakPolarHBondContact O-CH2 3.19Å; K232-Y965 HydrophobicContact CB-CE1 4.19Å
233F85.3Confident81.5Confident5 Ų546.7 Ų46.72%0.02222%0.222CC..Hα-helixtrans-62-44.5177.7178.5-92.2000112.8L230 E231 A236 Y237 Y965 F967 R970 P972 T975L230-F233 WeakPolarHBondContact O-CB 3.44Å; L230-F233 PolarHBondContact O-N 3.37Å; E231-F233 VanDerWaalsContact C-N 3.29Å; E231-F233 PolarHBondContact O-N 2.89Å; F233-A236 PolarHBondContact O-N 2.86Å; F233-Y237 PolarHBondContact O-N 3.42Å; F233-Y237 VanDerWaalsContact O-N 3.16Å; F233-Y965 HydrophobicContact CD2-CD1 4.38Å; F233-F967 HydrophobicContact CE2-CD1 4Å; F233-F967 HydrophobicContact CE2-CE1 4.46Å; F233-F967 AromaticContact CZ-CD1 3.93Å; F233-F967 HydrophobicContact CZ-CD1 3.93Å; F233-R970 HydrophobicContact CE1-CB 4.26Å; F233-R970 HydrophobicContact CE1-CG 3.98Å; F233-R970 HydrophobicContact CE2-CB 4.07Å; F233-R970 HydrophobicContact CE2-CG 4.43Å; F233-R970 HydrophobicContact CZ-CB 3.72Å; F233-R970 HydrophobicContact CZ-CG 3.95Å; F233-R970 WeakPolarHBondContact CZ-O 3.43Å; F233-P972 HydrophobicContact CE1-CB 4.16Å; F233-P972 HydrophobicContact CE1-CG 4.02Å; F233-P972 HydrophobicContact CZ-CG 4.27Å; F233-T975 HydrophobicContact CD1-CG2 3.86Å; F233-T975 HydrophobicContact CE1-CG2 4.46Å
234I85.3Confident80.6Confident16 Ų1652.8 Ų52.88%0.08225%0.251CS..Hα-helixtrans-64-45.3179-65.9161.4000110.8L230 E231 A236 Y237 D238 T975 R976 V979L230-I234 WeakPolarHBondContact O-CG1 3.46Å; L230-I234 PolarHBondContact O-N 3.44Å; E231-I234 PolarHBondContact O-N 3.02Å; I234-A236 VanDerWaalsContact C-N 3.27Å; I234-A236 PolarHBondContact O-N 3.18Å; I234-Y237 PolarHBondContact O-N 3.16Å; I234-D238 VanDerWaalsContact CG2-OD2 3.3Å; I234-D238 WeakPolarHBondContact CG2-OD2 2.91Å; I234-D238 WeakPolarHBondContact O-CB 3.39Å; I234-D238 PolarHBondContact O-N 2.88Å; I234-T975 HydrophobicContact CD1-CG2 4.15Å; I234-T975 HydrophobicContact CG1-CG2 3.93Å; I234-R976 HydrophobicContact CD1-CB 4.03Å; I234-R976 HydrophobicContact CD1-CG 4.36Å; I234-R976 HydrophobicContact CG1-CB 4.39Å; I234-V979 HydrophobicContact CD1-CB 3.95Å; I234-V979 HydrophobicContact CD1-CG2 3.57Å
235V82.8Confident79.4Confident22 Ų2252.3 Ų52.313%0.13325%0.251CS..Hα-helixtrans-58.4-40.7179168.20000111.5E231 K232 Y239 L944 N948 W950 I951E231-V235 WeakPolarHBondContact O-CG2 3.18Å; E231-V235 PolarHBondContact O-N 2.83Å; K232-V235 PolarHBondContact O-N 3.21Å; V235-Y239 PolarHBondContact O-N 2.76Å; V235-L944 HydrophobicContact CG1-CD2 4.37Å; V235-N948 HydrophobicContact CG1-CB 4.15Å; V235-W950 HydrophobicContact CB-CH2 4.25Å; V235-W950 HydrophobicContact CB-CZ2 3.82Å; V235-W950 HydrophobicContact CG1-CH2 4.02Å; V235-W950 HydrophobicContact CG1-CZ2 3.51Å; V235-I951 HydrophobicContact CG1-CD1 3.62Å; V235-I951 HydrophobicContact CG1-CG1 4.09Å
236A82.5Confident78.5Confident0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-63.3-45.117600000112.6K232 F233 I234 T240 W950 F958 Y965 F967K232-A236 PolarHBondContact O-N 3.27Å; K232-A236 VanDerWaalsContact O-N 3.15Å; F233-A236 PolarHBondContact O-N 2.86Å; I234-A236 VanDerWaalsContact C-N 3.27Å; I234-A236 PolarHBondContact O-N 3.18Å; A236-T240 PolarHBondContact O-N 3.05Å; A236-T240 PolarHBondContact O-OG1 2.87Å; A236-W950 HydrophobicContact CB-CH2 4.44Å; A236-F958 HydrophobicContact CB-CD1 3.59Å; A236-F958 HydrophobicContact CB-CD2 3.93Å; A236-F958 HydrophobicContact CB-CE1 3.49Å; A236-F958 VanDerWaalsContact CB-CE1 3.49Å; A236-F958 HydrophobicContact CB-CE2 3.83Å; A236-F958 HydrophobicContact CB-CG 3.83Å; A236-F958 HydrophobicContact CB-CZ 3.61Å; A236-Y965 HydrophobicContact CB-CD1 3.69Å; A236-Y965 HydrophobicContact CB-CE1 4.25Å; A236-Y965 HydrophobicContact CB-CG 3.95Å; A236-F967 HydrophobicContact CB-CE1 4.13Å; A236-F967 HydrophobicContact CB-CZ 4.17Å
237Y83.5Confident77.2Confident70 Ų7055.7 Ų55.728%0.27527%0.27SS..Hα-helixtrans-64.8-45.4178.1178-106.9000112.6F233 I234 Y239 T240 C241 F967 P972F233-Y237 PolarHBondContact O-N 3.42Å; F233-Y237 VanDerWaalsContact O-N 3.16Å; I234-Y237 PolarHBondContact O-N 3.16Å; Y237-Y239 VanDerWaalsContact C-N 3.29Å; Y237-Y239 PolarHBondContact O-N 2.89Å; Y237-T240 WeakPolarHBondContact O-CB 3.37Å; Y237-T240 PolarHBondContact O-N 2.9Å; Y237-C241 WeakPolarHBondContact CE1-SG 3.3Å; Y237-C241 WeakPolarHBondContact CE2-SG 3.26Å; Y237-C241 PolarHBondContact O-N 2.81Å; Y237-C241 PolarHBondContact O-SG 2.79Å; Y237-C241 PolarHBondContact OH-SG 2.78Å; Y237-F967 HydrophobicContact CD2-CB 4.15Å; Y237-F967 AromaticContact CD2-CD1 3.89Å; Y237-F967 HydrophobicContact CD2-CD1 3.89Å; Y237-F967 HydrophobicContact CD2-CD2 4.09Å; Y237-F967 HydrophobicContact CD2-CE1 4.32Å; Y237-F967 HydrophobicContact CD2-CE2 4.49Å; Y237-F967 AromaticContact CD2-CG 3.78Å; Y237-F967 HydrophobicContact CD2-CG 3.78Å; Y237-F967 HydrophobicContact CG-CD1 4.41Å; Y237-P972 HydrophobicContact CD1-CB 3.23Å; Y237-P972 HydrophobicContact CD1-CG 3.73Å; Y237-P972 HydrophobicContact CD2-CB 3.88Å; Y237-P972 HydrophobicContact CD2-CG 3.35Å; Y237-P972 HydrophobicContact CE1-CB 3.47Å; Y237-P972 VanDerWaalsContact CE1-CB 3.47Å; Y237-P972 HydrophobicContact CE1-CG 3.84Å; Y237-P972 HydrophobicContact CE2-CB 4.09Å; Y237-P972 HydrophobicContact CE2-CG 3.48Å; Y237-P972 VanDerWaalsContact CE2-CG 3.48Å; Y237-P972 HydrophobicContact CG-CB 3.41Å; Y237-P972 VanDerWaalsContact CG-CB 3.41Å; Y237-P972 HydrophobicContact CG-CG 3.44Å; Y237-P972 VanDerWaalsContact CG-CG 3.44Å
238D82.4Confident75.7Confident31 Ų3166.6 Ų66.617%0.16631%0.311CS..Hα-helixtrans-59.9-42-178-72.3-21000112.1I234 T240 C241 L242 L944 R976I234-D238 VanDerWaalsContact CG2-OD2 3.3Å; I234-D238 WeakPolarHBondContact CG2-OD2 2.91Å; I234-D238 WeakPolarHBondContact O-CB 3.39Å; I234-D238 PolarHBondContact O-N 2.88Å; D238-T240 VanDerWaalsContact C-N 3.26Å; D238-T240 PolarHBondContact O-N 3.32Å; D238-C241 PolarHBondContact O-N 2.77Å; D238-L242 WeakPolarHBondContact O-CD1 3.21Å; D238-L242 WeakPolarHBondContact O-CG 3.2Å; D238-L242 PolarHBondContact O-N 3.34Å; D238-L242 VanDerWaalsContact O-N 3.13Å; D238-L944 HydrophobicContact CB-CD1 4.1Å; D238-R976 IonicContact OD1-CZ 3.7Å; D238-R976 IonicContact OD1-NH2 2.98Å; D238-R976 PolarHBondContact OD1-NH2 3.49Å; D238-R976 IonicContact OD2-CZ 2.85Å; D238-R976 IonicContact OD2-NH2 3.52Å; D238-R976 PolarHBondContact OD2-NH2 3.11Å
239Y80.1Confident74.3Confident13 Ų1362.6 Ų62.65%0.05129%0.29CS..Hα-helixtrans-56.8-42.8175.2-174.7-92.2000112.1V235 Y237 M941 L944 L945 I951 K955 F958V235-Y239 PolarHBondContact O-N 2.76Å; Y237-Y239 VanDerWaalsContact C-N 3.29Å; Y237-Y239 PolarHBondContact O-N 2.89Å; Y239-M941 HydrophobicContact CE2-CE 4.38Å; Y239-L944 HydrophobicContact CD2-CB 4.45Å; Y239-L945 HydrophobicContact CD2-CD2 4.42Å; Y239-L945 HydrophobicContact CE2-CD1 4.11Å; Y239-L945 HydrophobicContact CE2-CD2 3.56Å; Y239-L945 HydrophobicContact CE2-CG 3.75Å; Y239-I951 HydrophobicContact CD2-CG2 4.47Å; Y239-K955 HydrophobicContact CE1-CD 3.66Å; Y239-K955 VanDerWaalsContact CE1-CE 3.45Å; Y239-K955 HydrophobicContact CE1-CG 4.28Å; Y239-K955 PolarHBondContact OH-NZ 3.1Å; Y239-F958 HydrophobicContact CD1-CD2 4.29Å; Y239-F958 HydrophobicContact CD1-CE2 4.4Å
240T76Confident72.9Confident37 Ų3767.8 Ų67.823%0.22731%0.311CS..Hα-helixtrans-70.2-40.3-178.7-36.80000112.1A236 Y237 D238 E243 F967A236-T240 PolarHBondContact O-N 3.05Å; A236-T240 PolarHBondContact O-OG1 2.87Å; Y237-T240 WeakPolarHBondContact O-CB 3.37Å; Y237-T240 PolarHBondContact O-N 2.9Å; D238-T240 VanDerWaalsContact C-N 3.26Å; D238-T240 PolarHBondContact O-N 3.32Å; T240-E243 WeakPolarHBondContact O-CB 3.44Å; T240-E243 PolarHBondContact O-N 2.82Å; T240-F967 HydrophobicContact CG2-CE2 4.21Å; T240-F967 WeakPolarHBondContact OG1-CE2 3.41Å
241C75.6Confident71.3Confident37 Ų3770.4 Ų70.425%0.2534%0.339CS..Hα-helixtrans-70-38.1-179.3-690000113.6Y237 D238 E243 E244 A245Y237-C241 WeakPolarHBondContact CE1-SG 3.3Å; Y237-C241 WeakPolarHBondContact CE2-SG 3.26Å; Y237-C241 PolarHBondContact O-N 2.81Å; Y237-C241 PolarHBondContact O-SG 2.79Å; Y237-C241 PolarHBondContact OH-SG 2.78Å; D238-C241 PolarHBondContact O-N 2.77Å; C241-E243 PolarHBondContact O-N 2.85Å; C241-E244 PolarHBondContact O-N 2.76Å; C241-A245 PolarHBondContact O-N 3.13Å
242L70.6Confident70Confident27 Ų2772.2 Ų72.214%0.14135%0.351CS..Hα-helixtrans-64.5-30.8179.2-65.2162.7000111.3D238 E244 A937 K940 M941 L944D238-L242 WeakPolarHBondContact O-CD1 3.21Å; D238-L242 WeakPolarHBondContact O-CG 3.2Å; D238-L242 PolarHBondContact O-N 3.34Å; D238-L242 VanDerWaalsContact O-N 3.13Å; L242-E244 VanDerWaalsContact C-N 3.35Å; L242-A937 HydrophobicContact CD2-CB 4.39Å; L242-K940 HydrophobicContact CD1-CB 3.64Å; L242-K940 HydrophobicContact CD2-CB 4.1Å; L242-K940 HydrophobicContact CD2-CD 4.02Å; L242-M941 HydrophobicContact CB-CG 3.51Å; L242-M941 HydrophobicContact CB-SD 4.12Å; L242-M941 HydrophobicContact CD1-CG 4.21Å; L242-M941 HydrophobicContact CG-CG 4.49Å; L242-L944 HydrophobicContact CD1-CD1 3.69Å
243E67.9Low68.8Low92 Ų9269.9 Ų69.943%0.4334%0.342SS..Hα-helixtrans-67-33.5175.7-169.1169.5-138.400112.6T240 C241 M941T240-E243 WeakPolarHBondContact O-CB 3.44Å; T240-E243 PolarHBondContact O-N 2.82Å; C241-E243 PolarHBondContact O-N 2.85Å; E243-M941 HydrophobicContact CB-CE 4.09Å; E243-M941 HydrophobicContact CB-SD 4.28Å; E243-M941 HydrophobicContact CG-CE 4.35Å
244E67.8Low67.6Low135 Ų13576 Ų7663%0.63137%0.374SS*.Hα-helixtrans-81-41.1178.4-65.7-172.1160.100113.1C241 L242 K246 K247C241-E244 PolarHBondContact O-N 2.76Å; L242-E244 VanDerWaalsContact C-N 3.35Å; E244-K246 VanDerWaalsContact C-N 3.29Å; E244-K246 PolarHBondContact O-N 3.12Å; E244-K247 PolarHBondContact O-N 2.83Å
245A61.4Low66.6Low32 Ų3279.2 Ų79.226%0.26440%0.403SS..Hα-helixtrans-61.4-34.3-175.600000113.2C241 K247 R248 T249C241-A245 PolarHBondContact O-N 3.13Å; A245-K247 PolarHBondContact O-N 2.92Å; A245-R248 PolarHBondContact O-N 2.83Å; A245-T249 PolarHBondContact O-OG1 3.11Å
246K61.4Low65.9Low114 Ų11479.4 Ų79.450%0.49640%0.403SS..THydrogen-bonded Turntrans-54.2-22177.8-171.9177.6-175.7154.10114.2E244 D938E244-K246 VanDerWaalsContact C-N 3.29Å; E244-K246 PolarHBondContact O-N 3.12Å; K246-D938 WeakPolarHBondContact CD-OD1 3.04Å; K246-D938 WeakPolarHBondContact CE-OD1 3.47Å; K246-D938 VanDerWaalsContact NZ-CG 3.28Å; K246-D938 IonicContact NZ-OD1 2.63Å; K246-D938 PolarHBondContact NZ-OD1 3.48Å; K246-D938 IonicContact NZ-OD2 3.23Å; K246-D938 PolarHBondContact NZ-OD2 2.87Å
247K59Low65.3Low183 Ų18384.2 Ų84.280%0.79643%0.425SS*.THydrogen-bonded Turntrans-89-13.4-172.4-69.8178.6-179.1169.20115.9E244 A245E244-K247 PolarHBondContact O-N 2.83Å; A245-K247 PolarHBondContact O-N 2.92Å
248R53.9Low64.7Low231 Ų23190.8 Ų90.887%0.87245%0.45SS*.THydrogen-bonded Turntrans-111.8-16-163.9-73.8-177.1176169.41.5118A245 K250A245-R248 PolarHBondContact O-N 2.83Å; R248-K250 PolarHBondContact O-N 2.94Å
249T52.5Low64.3Low17 Ų1791.7 Ų91.710%0.10446%0.458CS..  trans-92.611.4-152-20000119.6A245 Q930 E933A245-T249 PolarHBondContact O-OG1 3.11Å; T249-Q930 HydrophobicContact CG2-CB 4.01Å; T249-Q930 HydrophobicContact CG2-CG 4.22Å; T249-Q930 WeakPolarHBondContact CG2-O 3.46Å; T249-E933 HydrophobicContact CG2-CB 4.36Å
250K50.9Low64.3Low208 Ų20891.8 Ų91.890%0.90446%0.459SS*.SBendtrans-89.8-4-169.7-96.9-179.3177.7177.30117.9R248R248-K250 PolarHBondContact O-N 2.94Å
251G51.5Low64.4Low59 Ų5994.9 Ų94.961%0.60848%0.475SS*.SBendtrans-108.4-41.1-166.600000118.2L253G251-L253 PolarHBondContact O-N 2.96Å
252D56.4Low64.4Low98 Ų9899.8 Ų99.852%0.52449%0.494SS..THydrogen-bonded Turntrans-87-6.3-163.9-42.5-51.5000114.6I254 Q930D252-I254 PolarHBondContact O-N 2.98Å; D252-Q930 VanDerWaalsContact CB-OE1 3.27Å; D252-Q930 PolarHBondContact OD2-NE2 3.33Å
253L58.1Low64.9Low40 Ų40100.7 Ų100.721%0.20950%0.497CS..Hα-helixtrans-63.9-34.5-168.6-128.6134.3000114.7G251 I927 Q930 T931G251-L253 PolarHBondContact O-N 2.96Å; L253-I927 HydrophobicContact CD2-CG2 4.31Å; L253-Q930 HydrophobicContact CD1-CB 3.89Å; L253-Q930 HydrophobicContact CG-CB 4.41Å; L253-T931 HydrophobicContact CD1-CG2 3.5Å; L253-T931 VanDerWaalsContact CD1-CG2 3.5Å; L253-T931 HydrophobicContact CD2-CG2 3.47Å; L253-T931 VanDerWaalsContact CD2-CG2 3.47Å; L253-T931 HydrophobicContact CG-CG2 3.92Å
254I59.3Low65.5Low135 Ų135100.6 Ų100.669%0.69250%0.496SS*.Hα-helixtrans-75.4-32.5-170.8-62.4172.1000112.8D252D252-I254 PolarHBondContact O-N 2.98Å
255A64.1Low66Low83 Ų83101.3 Ų101.369%0.68650%0.501SS*.Hα-helixtrans-75.4-30.4-17700000112.6
256L69.6Low66.9Low25 Ų25105 Ų10513%0.13151%0.512CS..Hα-helixtrans-74.3-35.4-173.8-98145.5000113.5R258 S259 L260 L923 Q926 I927L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.49Å; L256-S259 PolarHBondContact O-N 3.26Å; L256-L260 PolarHBondContact O-N 2.98Å; L256-L923 HydrophobicContact CD2-CD2 4.03Å; L256-L923 WeakPolarHBondContact CD2-O 3.35Å; L256-Q926 HydrophobicContact CD1-CB 3.93Å; L256-Q926 HydrophobicContact CD2-CB 3.23Å; L256-Q926 HydrophobicContact CD2-CG 4.2Å; L256-Q926 VanDerWaalsContact CD2-OE1 3.29Å; L256-Q926 HydrophobicContact CG-CB 4.22Å; L256-I927 HydrophobicContact CB-CD1 4.07Å; L256-I927 HydrophobicContact CB-CG1 3.49Å; L256-I927 VanDerWaalsContact CB-CG1 3.49Å; L256-I927 HydrophobicContact CD2-CG1 4.18Å; L256-I927 HydrophobicContact CG-CG1 4.39Å
257E70.5Confident67.9Low101 Ų101100.2 Ų100.247%0.47249%0.492SS..Hα-helixtrans-62.9-33.8-176.8-70.7179.8162.700113.8I927E257-I927 HydrophobicContact CB-CD1 4.44Å; E257-I927 HydrophobicContact CG-CD1 4.01Å; E257-I927 HydrophobicContact CG-CG1 4.36Å; E257-I927 HydrophobicContact CG-CG2 4.35Å
258R70.1Confident68.9Low209 Ų20996.8 Ų96.879%0.78948%0.479SS*.Hα-helixtrans-69.2-45.4-179.4-75.6-175.9178.7172.90.4112.8L256 L260 N261L256-R258 VanDerWaalsContact C-N 3.33Å; L256-R258 PolarHBondContact O-N 3.49Å; R258-L260 VanDerWaalsContact C-N 3.25Å; R258-L260 PolarHBondContact O-N 2.84Å; R258-N261 PolarHBondContact O-N 2.63Å
259S74.7Confident70.4Confident49 Ų4987.7 Ų87.734%0.34346%0.456SS..Hα-helixtrans-67.1-29.9-177.9-171.90000112.1L256 N261 L923L256-S259 PolarHBondContact O-N 3.26Å; S259-N261 VanDerWaalsContact C-N 3.35Å; S259-N261 PolarHBondContact O-N 2.97Å; S259-L923 WeakPolarHBondContact OG-CD1 3.46Å
260L79.5Confident72Confident15 Ų1588 Ų888%0.07946%0.457CS..Hα-helixtrans-62.8-38.3178.3-179.263.7000112.8L256 R258 K264 V920 L923 I927L256-L260 PolarHBondContact O-N 2.98Å; R258-L260 VanDerWaalsContact C-N 3.25Å; R258-L260 PolarHBondContact O-N 2.84Å; L260-K264 HydrophobicContact CG-CD 4.18Å; L260-K264 WeakPolarHBondContact O-CG 3.44Å; L260-K264 PolarHBondContact O-N 2.97Å; L260-V920 HydrophobicContact CD1-CB 4.44Å; L260-V920 HydrophobicContact CD1-CG1 3.73Å; L260-V920 WeakPolarHBondContact CD1-O 3.47Å; L260-L923 HydrophobicContact CB-CB 4.2Å; L260-L923 HydrophobicContact CD1-CB 3.94Å; L260-I927 HydrophobicContact CB-CD1 4.15Å; L260-I927 HydrophobicContact CD2-CD1 3.72Å
261N77Confident73.5Confident102 Ų10283.6 Ų83.655%0.54544%0.435SS..Hα-helixtrans-69.8-37.7-175-84.8-13.6000113.2R258 S259 K264 M265R258-N261 PolarHBondContact O-N 2.63Å; S259-N261 VanDerWaalsContact C-N 3.35Å; S259-N261 PolarHBondContact O-N 2.97Å; N261-K264 PolarHBondContact O-N 3.45Å; N261-M265 PolarHBondContact O-N 3.23Å
262E76.9Confident75Confident141 Ų14186.7 Ų86.766%0.65943%0.432SS*.Hα-helixtrans-64.1-43.6179.1-68.8177.5170.900111.7K264 M265 H266E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 2.97Å; E262-M265 PolarHBondContact O-N 3.44Å; E262-H266 PolarHBondContact O-N 2.84Å
263Q81.3Confident76.3Confident45 Ų4584.8 Ų84.821%0.2143%0.426CS..Hα-helixtrans-69.1-30.9179.3-67.4-61.5-21.900112.8H266 M267 Q919 V920 L923Q263-H266 PolarHBondContact O-N 3.09Å; Q263-M267 WeakPolarHBondContact O-CB 3.39Å; Q263-M267 PolarHBondContact O-N 3.28Å; Q263-M267 VanDerWaalsContact O-N 3.08Å; Q263-Q919 HydrophobicContact CG-CB 4.22Å; Q263-Q919 VanDerWaalsContact NE2-OE1 3.12Å; Q263-Q919 VanDerWaalsContact OE1-OE1 3.05Å; Q263-V920 HydrophobicContact CB-CG2 3.49Å; Q263-V920 VanDerWaalsContact CB-CG2 3.49Å; Q263-L923 HydrophobicContact CG-CD1 4.2Å
264K79.6Confident77.6Confident90 Ų9085.3 Ų85.339%0.39143%0.427SS..Hα-helixtrans-61.7-42.9174.3-78.7174.7175175.40112.5L260 N261 E262 M267 E268 V920L260-K264 HydrophobicContact CG-CD 4.18Å; L260-K264 WeakPolarHBondContact O-CG 3.44Å; L260-K264 PolarHBondContact O-N 2.97Å; N261-K264 PolarHBondContact O-N 3.45Å; E262-K264 VanDerWaalsContact C-N 3.32Å; E262-K264 PolarHBondContact O-N 2.97Å; K264-M267 HydrophobicContact CG-CE 4.3Å; K264-M267 PolarHBondContact O-N 3.16Å; K264-E268 PolarHBondContact O-N 2.95Å; K264-V920 HydrophobicContact CG-CG1 4.18Å
265M78.4Confident78.8Confident151 Ų15184.7 Ų84.774%0.74442%0.421SS*.Hα-helixtrans-65.9-41.4179.5-64.4-168.993.800112.2N261 E262 E268N261-M265 PolarHBondContact O-N 3.23Å; E262-M265 PolarHBondContact O-N 3.44Å; M265-E268 PolarHBondContact O-N 2.68Å
266H81.5Confident79.9Confident109 Ų10986.5 Ų86.551%0.50542%0.418SS..Hα-helixtrans-65-40.8178.3-175.548.9000112.2E262 Q263 E268 G269 L270 T916E262-H266 PolarHBondContact O-N 2.84Å; Q263-H266 PolarHBondContact O-N 3.09Å; H266-E268 VanDerWaalsContact C-N 3.31Å; H266-E268 PolarHBondContact O-N 3.44Å; H266-G269 PolarHBondContact O-N 3.38Å; H266-L270 PolarHBondContact O-N 2.91Å; H266-T916 HydrophobicContact CB-CG2 4.2Å; H266-T916 PolarHBondContact CD2-OG1 3.2Å
267M81Confident80.7Confident13 Ų1386.6 Ų86.66%0.06442%0.418CS..Hα-helixtrans-61.7-37.1176.6-179.7-179.84700112.6Q263 K264 G269 L270 R271 T916 N917 V920Q263-M267 WeakPolarHBondContact O-CB 3.39Å; Q263-M267 PolarHBondContact O-N 3.28Å; Q263-M267 VanDerWaalsContact O-N 3.08Å; K264-M267 HydrophobicContact CG-CE 4.3Å; K264-M267 PolarHBondContact O-N 3.16Å; M267-G269 VanDerWaalsContact C-N 3.34Å; M267-G269 PolarHBondContact O-N 2.92Å; M267-L270 PolarHBondContact O-N 3.3Å; M267-R271 WeakPolarHBondContact O-CG 3.37Å; M267-R271 PolarHBondContact O-N 3.41Å; M267-R271 PolarHBondContact SD-NH2 2.92Å; M267-T916 HydrophobicContact CB-CG2 3.94Å; M267-N917 HydrophobicContact SD-CB 4.2Å; M267-N917 PolarHBondContact SD-OD1 2.78Å; M267-V920 HydrophobicContact CE-CB 4.42Å; M267-V920 HydrophobicContact CE-CG1 4.07Å; M267-V920 HydrophobicContact CE-CG2 3.92Å; M267-V920 HydrophobicContact SD-CG2 4.28Å
268E81.3Confident81.5Confident112 Ų11286 Ų8652%0.52342%0.415SS..Hα-helixtrans-65.4-36.6-179.9-159.9-179.6163.100112.5K264 M265 H266 R271 K272K264-E268 PolarHBondContact O-N 2.95Å; M265-E268 PolarHBondContact O-N 2.68Å; H266-E268 VanDerWaalsContact C-N 3.31Å; H266-E268 PolarHBondContact O-N 3.44Å; E268-R271 PolarHBondContact O-N 2.74Å; E268-K272 PolarHBondContact O-N 3.4Å
269G83.6Confident82.2Confident39 Ų3979.9 Ų79.940%0.40241%0.405SS..Hα-helixtrans-63.6-46.8174.200000112.8H266 M267 R271 K272 S273H266-G269 PolarHBondContact O-N 3.38Å; M267-G269 VanDerWaalsContact C-N 3.34Å; M267-G269 PolarHBondContact O-N 2.92Å; G269-R271 VanDerWaalsContact C-N 3.3Å; G269-R271 PolarHBondContact O-N 2.88Å; G269-K272 PolarHBondContact O-N 3.36Å; G269-S273 PolarHBondContact O-N 3.3Å
270L86.7Confident82.8Confident24 Ų2483.3 Ų83.313%0.12641%0.41CS..Hα-helixtrans-63.7-35.6177.8-70.7169.5000112.2H266 M267 S273 K274 L909 L913H266-L270 PolarHBondContact O-N 2.91Å; M267-L270 PolarHBondContact O-N 3.3Å; L270-S273 PolarHBondContact O-N 3.22Å; L270-K274 VanDerWaalsContact O-CB 3.29Å; L270-K274 WeakPolarHBondContact O-CB 3.49Å; L270-K274 PolarHBondContact O-N 3.12Å; L270-L909 HydrophobicContact CD2-CD2 4.24Å; L270-L913 HydrophobicContact CB-CB 4.33Å; L270-L913 HydrophobicContact CB-CD1 4.08Å; L270-L913 HydrophobicContact CB-CG 4.43Å
271R82.9Confident83.3Confident116 Ų11683.9 Ų83.944%0.43841%0.413SS..Hα-helixtrans-59.9-47175.6-77.7174.8-178.7-170.7-0111.5M267 E268 G269 S273 K274 E275 L913M267-R271 WeakPolarHBondContact O-CG 3.37Å; M267-R271 PolarHBondContact O-N 3.41Å; M267-R271 PolarHBondContact SD-NH2 2.92Å; E268-R271 PolarHBondContact O-N 2.74Å; G269-R271 VanDerWaalsContact C-N 3.3Å; G269-R271 PolarHBondContact O-N 2.88Å; R271-S273 PolarHBondContact O-N 3.35Å; R271-K274 WeakPolarHBondContact O-CB 3.31Å; R271-K274 PolarHBondContact O-N 2.98Å; R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.47Å; R271-L913 HydrophobicContact CB-CD1 4.34Å; R271-L913 HydrophobicContact CG-CD1 3.58Å
272K82.9Confident83.7Confident123 Ų12381.9 Ų81.954%0.53541%0.41SS..Hα-helixtrans-61.2-44.6178.5-70.2178.1-177.1172.90112.4E268 G269 K274 E275 I276E268-K272 PolarHBondContact O-N 3.4Å; G269-K272 PolarHBondContact O-N 3.36Å; K272-K274 VanDerWaalsContact C-N 3.32Å; K272-K274 PolarHBondContact O-N 3.02Å; K272-E275 PolarHBondContact O-N 2.9Å; K272-I276 WeakPolarHBondContact O-CG1 3.47Å; K272-I276 PolarHBondContact O-N 2.72Å
273S83.7Confident84.2Confident58 Ų5879.7 Ų79.741%0.40640%0.4SS..Hα-helixtrans-64.4-38.7177-63.60000112.3G269 L270 R271 M277G269-S273 PolarHBondContact O-N 3.3Å; L270-S273 PolarHBondContact O-N 3.22Å; R271-S273 PolarHBondContact O-N 3.35Å; S273-M277 PolarHBondContact O-N 2.73Å
274K85.8Confident84.6Confident51 Ų5177.9 Ų77.922%0.22239%0.392CS..Hα-helixtrans-64.4-45.5176.5-176.6-170.7164-160.50111.4L270 R271 K272 I276 M277 E278 L909 V910 L913L270-K274 VanDerWaalsContact O-CB 3.29Å; L270-K274 WeakPolarHBondContact O-CB 3.49Å; L270-K274 PolarHBondContact O-N 3.12Å; R271-K274 WeakPolarHBondContact O-CB 3.31Å; R271-K274 PolarHBondContact O-N 2.98Å; K272-K274 VanDerWaalsContact C-N 3.32Å; K272-K274 PolarHBondContact O-N 3.02Å; K274-I276 VanDerWaalsContact C-N 3.3Å; K274-I276 PolarHBondContact O-N 3.29Å; K274-M277 PolarHBondContact O-N 3.02Å; K274-M277 VanDerWaalsContact O-N 3.14Å; K274-E278 WeakPolarHBondContact CE-OE1 3.39Å; K274-E278 WeakPolarHBondContact CE-OE2 3.48Å; K274-E278 HydrophobicContact CG-CG 4.25Å; K274-E278 IonicContact NZ-OE1 3.98Å; K274-E278 PolarHBondContact NZ-OE1 2.8Å; K274-E278 IonicContact NZ-OE2 2.7Å; K274-E278 WeakPolarHBondContact O-CG 3.06Å; K274-E278 PolarHBondContact O-N 3.35Å; K274-L909 HydrophobicContact CB-CB 4.48Å; K274-V910 HydrophobicContact CD-CG2 4.02Å; K274-L913 HydrophobicContact CD-CD1 4.09Å
275E83.5Confident84.8Confident123 Ų12375 Ų7558%0.57538%0.383SS*.Hα-helixtrans-58-40.8178.7-78172.7-17500112.4R271 K272 M277 E278 S279R271-E275 WeakPolarHBondContact O-CG 3.43Å; R271-E275 PolarHBondContact O-N 3.47Å; K272-E275 PolarHBondContact O-N 2.9Å; E275-M277 PolarHBondContact O-N 3.23Å; E275-E278 PolarHBondContact O-N 3.24Å; E275-S279 WeakPolarHBondContact O-CB 3.44Å; E275-S279 PolarHBondContact O-N 3.49Å
276I87Confident85.1Confident121 Ų12174.2 Ų74.262%0.62138%0.375SS*.Hα-helixtrans-61.6-45176.8-66.7166.6000110.7K272 K274 S279 R280K272-I276 WeakPolarHBondContact O-CG1 3.47Å; K272-I276 PolarHBondContact O-N 2.72Å; K274-I276 VanDerWaalsContact C-N 3.3Å; K274-I276 PolarHBondContact O-N 3.29Å; I276-S279 WeakPolarHBondContact O-CB 3.49Å; I276-S279 PolarHBondContact O-N 3.24Å; I276-R280 PolarHBondContact O-N 3.41Å; I276-R280 VanDerWaalsContact O-N 3.11Å
277M87.5Confident85.2Confident27 Ų2772.4 Ų72.413%0.13337%0.367CS..Hα-helixtrans-71.6-38.2179.6-70.1-58-6400112.7S273 K274 E275 S279 R280 I281 A902 E905 A906 L909S273-M277 PolarHBondContact O-N 2.73Å; K274-M277 PolarHBondContact O-N 3.02Å; K274-M277 VanDerWaalsContact O-N 3.14Å; E275-M277 PolarHBondContact O-N 3.23Å; M277-S279 VanDerWaalsContact C-N 3.33Å; M277-R280 PolarHBondContact O-N 3.25Å; M277-I281 WeakPolarHBondContact O-CG1 3.46Å; M277-I281 PolarHBondContact O-N 3.39Å; M277-A902 HydrophobicContact CE-CB 3.95Å; M277-E905 HydrophobicContact CE-CB 3.85Å; M277-E905 HydrophobicContact CE-CG 3.96Å; M277-E905 VanDerWaalsContact CE-OE2 3.22Å; M277-E905 WeakPolarHBondContact CE-OE2 3.37Å; M277-A906 HydrophobicContact CB-CB 4.24Å; M277-L909 HydrophobicContact CB-CD1 4.46Å; M277-L909 HydrophobicContact CG-CD1 3.95Å
278E85.9Confident85.3Confident88 Ų8875.1 Ų75.141%0.41138%0.376SS..Hα-helixtrans-63.2-39.9174.2-76.7-177.4148.700111.4K274 E275 R280 I281 A282K274-E278 WeakPolarHBondContact CE-OE1 3.39Å; K274-E278 WeakPolarHBondContact CE-OE2 3.48Å; K274-E278 HydrophobicContact CG-CG 4.25Å; K274-E278 IonicContact NZ-OE1 3.98Å; K274-E278 PolarHBondContact NZ-OE1 2.8Å; K274-E278 IonicContact NZ-OE2 2.7Å; K274-E278 WeakPolarHBondContact O-CG 3.06Å; K274-E278 PolarHBondContact O-N 3.35Å; E275-E278 PolarHBondContact O-N 3.24Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 2.8Å; E278-I281 PolarHBondContact O-N 2.93Å; E278-A282 WeakPolarHBondContact O-CB 3.46Å; E278-A282 PolarHBondContact O-N 3.03Å
279S85.2Confident85.3Confident81 Ų8173.6 Ų73.657%0.56637%0.372SS*.Hα-helixtrans-59.3-44172.1-178.50000111.4E275 I276 M277 A282 E283E275-S279 WeakPolarHBondContact O-CB 3.44Å; E275-S279 PolarHBondContact O-N 3.49Å; I276-S279 WeakPolarHBondContact O-CB 3.49Å; I276-S279 PolarHBondContact O-N 3.24Å; M277-S279 VanDerWaalsContact C-N 3.33Å; S279-A282 PolarHBondContact O-N 2.73Å; S279-E283 PolarHBondContact O-N 2.98Å
280R88.2Confident85.1Confident121 Ų12177 Ų7746%0.45738%0.377SS..Hα-helixtrans-66.2-40.6177.4-173.856.3174179.5-0.4112.9I276 M277 E278 E283 L284I276-R280 PolarHBondContact O-N 3.41Å; I276-R280 VanDerWaalsContact O-N 3.11Å; M277-R280 PolarHBondContact O-N 3.25Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 2.8Å; R280-E283 IonicContact CZ-OE2 3.92Å; R280-E283 IonicContact NH1-OE2 3.06Å; R280-E283 PolarHBondContact NH1-OE2 3.28Å; R280-E283 PolarHBondContact O-N 3.07Å; R280-L284 HydrophobicContact CG-CD1 4.34Å; R280-L284 WeakPolarHBondContact O-CG 3.32Å; R280-L284 PolarHBondContact O-N 3.45Å
281I89Confident84.8Confident26 Ų2678.2 Ų78.213%0.13338%0.382CS..Hα-helixtrans-64.1-43.9174.6-69.6165.8000109.9M277 E278 E283 L284 C285 A902 E903 A906M277-I281 WeakPolarHBondContact O-CG1 3.46Å; M277-I281 PolarHBondContact O-N 3.39Å; E278-I281 PolarHBondContact O-N 2.93Å; I281-E283 VanDerWaalsContact C-N 3.3Å; I281-E283 PolarHBondContact O-N 2.86Å; I281-L284 PolarHBondContact O-N 3.22Å; I281-C285 VanDerWaalsContact O-CB 3.3Å; I281-C285 WeakPolarHBondContact O-CB 3.43Å; I281-C285 PolarHBondContact O-N 3.32Å; I281-C285 PolarHBondContact O-SG 3.12Å; I281-A902 HydrophobicContact CD1-CB 4.46Å; I281-A902 HydrophobicContact CG1-CB 3.75Å; I281-E903 HydrophobicContact CD1-CG 4.17Å; I281-E903 HydrophobicContact CG1-CG 4.48Å; I281-A906 HydrophobicContact CD1-CB 3.57Å
282A85.5Confident84.5Confident60 Ų6076.5 Ų76.550%0.49638%0.379SS..Hα-helixtrans-60.3-41.2177.500000111.8E278 S279 K286E278-A282 WeakPolarHBondContact O-CB 3.46Å; E278-A282 PolarHBondContact O-N 3.03Å; S279-A282 PolarHBondContact O-N 2.73Å; A282-K286 WeakPolarHBondContact O-CB 3.34Å; A282-K286 PolarHBondContact O-N 3.42Å
283E87Confident84Confident95 Ų9571.9 Ų71.944%0.44437%0.367SS..Hα-helixtrans-63.2-45.4175.4-167.1179.9-156.800112S279 R280 I281 K286 Q287S279-E283 PolarHBondContact O-N 2.98Å; R280-E283 IonicContact CZ-OE2 3.92Å; R280-E283 IonicContact NH1-OE2 3.06Å; R280-E283 PolarHBondContact NH1-OE2 3.28Å; R280-E283 PolarHBondContact O-N 3.07Å; I281-E283 VanDerWaalsContact C-N 3.3Å; I281-E283 PolarHBondContact O-N 2.86Å; E283-K286 PolarHBondContact O-N 2.91Å; E283-Q287 WeakPolarHBondContact O-CG 3.48Å; E283-Q287 PolarHBondContact O-N 2.92Å
284L89.4Confident83.7Confident8 Ų872 Ų724%0.04237%0.372CS..Hα-helixtrans-69.2-38.5177.5-70171.9000112.8R280 I281 K286 Q287 R288 A898 L899 A902R280-L284 HydrophobicContact CG-CD1 4.34Å; R280-L284 WeakPolarHBondContact O-CG 3.32Å; R280-L284 PolarHBondContact O-N 3.45Å; I281-L284 PolarHBondContact O-N 3.22Å; L284-K286 VanDerWaalsContact C-N 3.31Å; L284-Q287 PolarHBondContact O-N 3.39Å; L284-R288 WeakPolarHBondContact O-CB 3.29Å; L284-R288 PolarHBondContact O-N 3.32Å; L284-A898 HydrophobicContact CD1-CB 4.14Å; L284-A898 HydrophobicContact CD2-CB 4.12Å; L284-L899 HydrophobicContact CB-CB 4.39Å; L284-L899 HydrophobicContact CB-CD1 4.21Å; L284-A902 HydrophobicContact CD1-CB 4.3Å
285C84.8Confident83.5Confident30 Ų3072.2 Ų72.220%0.20338%0.377CS..Hα-helixtrans-59.3-45.9172.6-78.80000110I281 Q287 R288 D289 L899I281-C285 VanDerWaalsContact O-CB 3.3Å; I281-C285 WeakPolarHBondContact O-CB 3.43Å; I281-C285 PolarHBondContact O-N 3.32Å; I281-C285 PolarHBondContact O-SG 3.12Å; C285-Q287 PolarHBondContact O-N 3.18Å; C285-R288 PolarHBondContact O-N 3Å; C285-D289 WeakPolarHBondContact O-CB 3.45Å; C285-D289 PolarHBondContact O-N 2.91Å; C285-L899 HydrophobicContact CB-CD1 4.4Å; C285-L899 VanDerWaalsContact SG-CD1 3.58Å
286K83.8Confident83.6Confident134 Ų13467.3 Ų67.358%0.58336%0.355SS*.Hα-helixtrans-61.1-44.6177.2-169.2-177178.2-165.80111.6A282 E283 L284 D289 E290A282-K286 WeakPolarHBondContact O-CB 3.34Å; A282-K286 PolarHBondContact O-N 3.42Å; E283-K286 PolarHBondContact O-N 2.91Å; L284-K286 VanDerWaalsContact C-N 3.31Å; K286-D289 PolarHBondContact O-N 2.96Å; K286-E290 WeakPolarHBondContact CE-OE1 3.48Å; K286-E290 IonicContact NZ-OE1 2.75Å; K286-E290 WeakPolarHBondContact O-CB 3.33Å; K286-E290 VanDerWaalsContact O-CG 3.28Å; K286-E290 WeakPolarHBondContact O-CG 3.38Å; K286-E290 PolarHBondContact O-N 3.29Å
287Q84.2Confident83.4Confident71 Ų7168.3 Ų68.333%0.33236%0.357SS..Hα-helixtrans-62.1-45.5175.3-72.91775.400112.1E283 L284 C285 D289 E290 H291 T895E283-Q287 WeakPolarHBondContact O-CG 3.48Å; E283-Q287 PolarHBondContact O-N 2.92Å; L284-Q287 PolarHBondContact O-N 3.39Å; C285-Q287 PolarHBondContact O-N 3.18Å; Q287-D289 PolarHBondContact O-N 2.81Å; Q287-E290 PolarHBondContact O-N 3.45Å; Q287-H291 PolarHBondContact O-CD2 3.42Å; Q287-H291 VanDerWaalsContact O-CG 3.27Å; Q287-H291 PolarHBondContact O-N 2.87Å; Q287-T895 HydrophobicContact CB-CG2 4.38Å
288R83.9Confident83.3Confident69 Ų6973.2 Ų73.226%0.2638%0.379SS..Hα-helixtrans-59-48.3175.2-177.5-15566.7-166.6-1.6110.8L284 C285 E290 H291 Q292L284-R288 WeakPolarHBondContact O-CB 3.29Å; L284-R288 PolarHBondContact O-N 3.32Å; C285-R288 PolarHBondContact O-N 3Å; R288-E290 VanDerWaalsContact C-N 3.33Å; R288-E290 PolarHBondContact O-N 3.45Å; R288-H291 CarbonylContact O-C 3.52Å; R288-H291 PolarHBondContact O-N 3.3Å; R288-H291 VanDerWaalsContact O-N 3.11Å; R288-Q292 HydrophobicContact CG-CB 4.46Å; R288-Q292 WeakPolarHBondContact O-CB 3.4Å; R288-Q292 PolarHBondContact O-N 2.97Å
289D80.5Confident83.5Confident80 Ų8071.2 Ų71.243%0.42837%0.371SS..Hα-helixtrans-65.4-37.6-177.4-67.4-14.3000111.6C285 K286 Q287 H291 G293C285-D289 WeakPolarHBondContact O-CB 3.45Å; C285-D289 PolarHBondContact O-N 2.91Å; K286-D289 PolarHBondContact O-N 2.96Å; Q287-D289 PolarHBondContact O-N 2.81Å; D289-H291 VanDerWaalsContact C-N 3.34Å; D289-G293 WeakPolarHBondContact O-CA 3.47Å; D289-G293 PolarHBondContact O-N 3.46Å
290E79.6Confident83.7Confident110 Ų11070.4 Ų70.451%0.51436%0.358SS..Hα-helixtrans-63.2-37.5171.7-76.5174.6-175.200112.2K286 Q287 R288 T295K286-E290 WeakPolarHBondContact CE-OE1 3.48Å; K286-E290 IonicContact NZ-OE1 2.75Å; K286-E290 WeakPolarHBondContact O-CB 3.33Å; K286-E290 VanDerWaalsContact O-CG 3.28Å; K286-E290 WeakPolarHBondContact O-CG 3.38Å; K286-E290 PolarHBondContact O-N 3.29Å; Q287-E290 PolarHBondContact O-N 3.45Å; R288-E290 VanDerWaalsContact C-N 3.33Å; R288-E290 PolarHBondContact O-N 3.45Å; E290-T295 PolarHBondContact O-OG1 3.48Å
291H81.5Confident83.6Confident50 Ų5068.4 Ų68.423%0.23136%0.363CS..Hα-helixtrans-80.7-33.7178.3-67-42.7000114.4Q287 R288 D289 T295 Q888 I892Q287-H291 PolarHBondContact O-CD2 3.42Å; Q287-H291 VanDerWaalsContact O-CG 3.27Å; Q287-H291 PolarHBondContact O-N 2.87Å; R288-H291 CarbonylContact O-C 3.52Å; R288-H291 PolarHBondContact O-N 3.3Å; R288-H291 VanDerWaalsContact O-N 3.11Å; D289-H291 VanDerWaalsContact C-N 3.34Å; H291-T295 PolarHBondContact O-OG1 2.98Å; H291-T295 VanDerWaalsContact O-OG1 3.08Å; H291-Q888 PolarHBondContact O-NE2 3.18Å; H291-I892 HydrophobicContact CB-CG1 3.76Å
292Q75.1Confident83.7Confident80 Ų8070.3 Ų70.337%0.37438%0.376SS..Hα-helixtrans-98.4-26.1-169.6-165.4174.523.100113.2R288 I892R288-Q292 HydrophobicContact CG-CB 4.46Å; R288-Q292 WeakPolarHBondContact O-CB 3.4Å; R288-Q292 PolarHBondContact O-N 2.97Å; Q292-I892 HydrophobicContact CB-CD1 4.03Å; Q292-I892 HydrophobicContact CB-CG1 4.34Å; Q292-I892 HydrophobicContact CG-CD1 4.18Å
293G73.3Confident83.9Confident26 Ų2669.2 Ų69.227%0.26836%0.361SS..SBendtrans-72.8-126.3-178.500000113D289 T295 L296 E297D289-G293 WeakPolarHBondContact O-CA 3.47Å; D289-G293 PolarHBondContact O-N 3.46Å; G293-T295 PolarHBondContact O-N 3.35Å; G293-L296 PolarHBondContact O-N 3.04Å; G293-E297 PolarHBondContact O-N 3.39Å
294A77.2Confident84Confident62 Ų6267 Ų6751%0.51236%0.356SS..Hα-helixtrans-53.9-35-172.200000113.6E298A294-E298 WeakPolarHBondContact O-CB 3.3Å; A294-E298 WeakPolarHBondContact O-CG 3.12Å; A294-E298 PolarHBondContact O-N 3.2Å
295T82.1Confident84Confident55 Ų5569 Ų6934%0.33737%0.374SS..Hα-helixtrans-65.8-45.3-17850.80000113.1E290 H291 G293 L299 Q888E290-T295 PolarHBondContact O-OG1 3.48Å; H291-T295 PolarHBondContact O-OG1 2.98Å; H291-T295 VanDerWaalsContact O-OG1 3.08Å; G293-T295 PolarHBondContact O-N 3.35Å; T295-L299 WeakPolarHBondContact O-CB 3.32Å; T295-L299 WeakPolarHBondContact O-CG 3.45Å; T295-L299 PolarHBondContact O-N 3.47Å; T295-Q888 PolarHBondContact OG1-NE2 3.42Å
296L85.3Confident84.3Confident20 Ų2069 Ų6911%0.10537%0.373CS..Hα-helixtrans-71.5-42.9177.7-176.468.8000111G293 E298 L299 E300 Q888 R889 I892G293-L296 PolarHBondContact O-N 3.04Å; L296-E298 VanDerWaalsContact C-N 3.31Å; L296-E298 PolarHBondContact O-N 2.92Å; L296-L299 PolarHBondContact O-N 2.85Å; L296-E300 HydrophobicContact CD1-CG 4.19Å; L296-E300 HydrophobicContact CG-CG 4.22Å; L296-E300 WeakPolarHBondContact O-CB 3.32Å; L296-E300 WeakPolarHBondContact O-CG 3.43Å; L296-E300 PolarHBondContact O-N 3.23Å; L296-Q888 HydrophobicContact CD1-CB 4.28Å; L296-Q888 HydrophobicContact CD1-CG 4.17Å; L296-R889 HydrophobicContact CD1-CG 4.11Å; L296-I892 HydrophobicContact CB-CD1 4.49Å; L296-I892 HydrophobicContact CD1-CD1 4.48Å; L296-I892 HydrophobicContact CD2-CD1 3.78Å; L296-I892 HydrophobicContact CG-CD1 4.48Å
297E83.1Confident84.6Confident142 Ų14266 Ų6666%0.66436%0.362SS*.Hα-helixtrans-59.4-42.1177.2-71-176.6172.200111.6G293 S301G293-E297 PolarHBondContact O-N 3.39Å; E297-S301 WeakPolarHBondContact O-CB 3.47Å; E297-S301 PolarHBondContact O-N 3.44Å
298E85.2Confident84.8Confident129 Ų12969.5 Ų69.560%0.60338%0.376SS*.Hα-helixtrans-63.5-44.3173.6-78.4175.4-175.800111.8A294 L296 S301 T302A294-E298 WeakPolarHBondContact O-CB 3.3Å; A294-E298 WeakPolarHBondContact O-CG 3.12Å; A294-E298 PolarHBondContact O-N 3.2Å; L296-E298 VanDerWaalsContact C-N 3.31Å; L296-E298 PolarHBondContact O-N 2.92Å; E298-S301 PolarHBondContact O-N 2.81Å; E298-T302 WeakPolarHBondContact O-CB 3.41Å; E298-T302 VanDerWaalsContact O-CG2 3.27Å; E298-T302 WeakPolarHBondContact O-CG2 3.35Å; E298-T302 PolarHBondContact O-N 2.84Å; E298-T302 PolarHBondContact O-OG1 2.73Å
299L90Very high85.1Confident46 Ų4669.8 Ų69.824%0.24139%0.385CS..Hα-helixtrans-66.4-39.8178-72.7173.1000112.7T295 L296 T302 M303 A884 V885 Q888T295-L299 WeakPolarHBondContact O-CB 3.32Å; T295-L299 WeakPolarHBondContact O-CG 3.45Å; T295-L299 PolarHBondContact O-N 3.47Å; L296-L299 PolarHBondContact O-N 2.85Å; L299-T302 VanDerWaalsContact CA-OG1 3.29Å; L299-T302 WeakPolarHBondContact CA-OG1 3.44Å; L299-T302 PolarHBondContact O-OG1 2.75Å; L299-M303 WeakPolarHBondContact O-CB 3.39Å; L299-M303 PolarHBondContact O-N 2.83Å; L299-A884 HydrophobicContact CD2-CB 3.83Å; L299-V885 HydrophobicContact CB-CG2 3.86Å; L299-V885 WeakPolarHBondContact O-CG2 3.22Å; L299-Q888 HydrophobicContact CD1-CB 3.9Å; L299-Q888 HydrophobicContact CD1-CG 4.06Å
300E88.6Confident85.6Confident64 Ų6467.8 Ų67.830%0.29937%0.373SS..Hα-helixtrans-71.1-39176.5-72-171.616800111.8L296 M303 S304 V885 R889L296-E300 HydrophobicContact CD1-CG 4.19Å; L296-E300 HydrophobicContact CG-CG 4.22Å; L296-E300 WeakPolarHBondContact O-CB 3.32Å; L296-E300 WeakPolarHBondContact O-CG 3.43Å; L296-E300 PolarHBondContact O-N 3.23Å; E300-M303 PolarHBondContact O-N 2.9Å; E300-S304 VanDerWaalsContact O-CB 3.29Å; E300-S304 WeakPolarHBondContact O-CB 3.19Å; E300-S304 PolarHBondContact O-N 2.84Å; E300-V885 HydrophobicContact CG-CG1 4.26Å; E300-V885 HydrophobicContact CG-CG2 4.42Å; E300-R889 IonicContact OE1-CZ 3.15Å; E300-R889 IonicContact OE1-NE 2.72Å; E300-R889 PolarHBondContact OE1-NE 3.2Å; E300-R889 IonicContact OE1-NH2 2.82Å; E300-R889 PolarHBondContact OE1-NH2 3.39Å
301S87.5Confident85.9Confident79 Ų7965.3 Ų65.355%0.55237%0.372SS*.Hα-helixtrans-62.3-46.8173.3-177.60000111.3E297 E298 S304 A305E297-S301 WeakPolarHBondContact O-CB 3.47Å; E297-S301 PolarHBondContact O-N 3.44Å; E298-S301 PolarHBondContact O-N 2.81Å; S301-S304 PolarHBondContact O-N 3.27Å; S301-A305 WeakPolarHBondContact O-CB 3.43Å; S301-A305 PolarHBondContact O-N 2.99Å
302T89.8Confident86.4Confident67 Ų6767.8 Ų67.841%0.41139%0.39SS..Hα-helixtrans-63.7-42.1175.151.60000111.8E298 L299 S304 A305 C306E298-T302 WeakPolarHBondContact O-CB 3.41Å; E298-T302 VanDerWaalsContact O-CG2 3.27Å; E298-T302 WeakPolarHBondContact O-CG2 3.35Å; E298-T302 PolarHBondContact O-N 2.84Å; E298-T302 PolarHBondContact O-OG1 2.73Å; L299-T302 VanDerWaalsContact CA-OG1 3.29Å; L299-T302 WeakPolarHBondContact CA-OG1 3.44Å; L299-T302 PolarHBondContact O-OG1 2.75Å; T302-S304 PolarHBondContact O-N 2.9Å; T302-A305 PolarHBondContact O-N 3.12Å; T302-C306 WeakPolarHBondContact O-CB 3.4Å; T302-C306 PolarHBondContact O-N 2.8Å; T302-C306 PolarHBondContact O-SG 3.15Å
303M90.6Very high87.1Confident37 Ų3764.7 Ų64.718%0.18238%0.378CS..Hα-helixtrans-60.4-45.3173.6-176.6-169.363.100111.6L299 E300 C306 Q307 L878 A881 R882 V885L299-M303 WeakPolarHBondContact O-CB 3.39Å; L299-M303 PolarHBondContact O-N 2.83Å; E300-M303 PolarHBondContact O-N 2.9Å; M303-C306 PolarHBondContact O-N 2.96Å; M303-Q307 WeakPolarHBondContact O-CG 3.44Å; M303-Q307 PolarHBondContact O-N 3.44Å; M303-L878 HydrophobicContact CG-CD1 4.21Å; M303-A881 HydrophobicContact CB-CB 4.13Å; M303-A881 HydrophobicContact CG-CB 4.47Å; M303-R882 HydrophobicContact CG-CG 4.03Å; M303-R882 HydrophobicContact SD-CG 3.73Å; M303-V885 HydrophobicContact CB-CG2 4.14Å; M303-V885 HydrophobicContact SD-CG2 4.24Å
304S88.3Confident87.8Confident48 Ų4868.3 Ų68.334%0.33639%0.387SS..Hα-helixtrans-63-41.8177.9-175.40000111.7E300 S301 T302 Q307 K308E300-S304 VanDerWaalsContact O-CB 3.29Å; E300-S304 WeakPolarHBondContact O-CB 3.19Å; E300-S304 PolarHBondContact O-N 2.84Å; S301-S304 PolarHBondContact O-N 3.27Å; T302-S304 PolarHBondContact O-N 2.9Å; S304-Q307 PolarHBondContact O-N 3.21Å; S304-K308 WeakPolarHBondContact O-CG 3.34Å; S304-K308 PolarHBondContact O-N 3.11Å
305A89.9Confident88.3Confident51 Ų5166 Ų6642%0.42137%0.369SS..Hα-helixtrans-61-47.9172.900000111.3S301 T302 Q307 K308 T309S301-A305 WeakPolarHBondContact O-CB 3.43Å; S301-A305 PolarHBondContact O-N 2.99Å; T302-A305 PolarHBondContact O-N 3.12Å; A305-Q307 VanDerWaalsContact C-N 3.31Å; A305-Q307 PolarHBondContact O-N 3.29Å; A305-K308 PolarHBondContact O-N 3.49Å; A305-T309 WeakPolarHBondContact O-CG2 3.46Å; A305-T309 PolarHBondContact O-N 3.19Å; A305-T309 PolarHBondContact O-OG1 2.97Å
306C91.7Very high88.6Confident28 Ų2864.7 Ų64.719%0.18936%0.363CS..Hα-helixtrans-61.8-34.7175.7-70.40000113.1T302 M303 T309 E310 L878T302-C306 WeakPolarHBondContact O-CB 3.4Å; T302-C306 PolarHBondContact O-N 2.8Å; T302-C306 PolarHBondContact O-SG 3.15Å; M303-C306 PolarHBondContact O-N 2.96Å; C306-T309 WeakPolarHBondContact CA-OG1 3.4Å; C306-T309 PolarHBondContact O-OG1 3.47Å; C306-E310 WeakPolarHBondContact O-CB 3.1Å; C306-E310 PolarHBondContact O-N 3.39Å; C306-L878 HydrophobicContact CB-CB 4.23Å; C306-L878 HydrophobicContact CB-CD1 4.17Å
307Q88.5Confident88.9Confident71 Ų7164.7 Ų64.733%0.33237%0.365SS..Hα-helixtrans-65.5-43174.5-76.7-178.85.100111.6M303 S304 A305 A311 L878M303-Q307 WeakPolarHBondContact O-CG 3.44Å; M303-Q307 PolarHBondContact O-N 3.44Å; S304-Q307 PolarHBondContact O-N 3.21Å; A305-Q307 VanDerWaalsContact C-N 3.31Å; A305-Q307 PolarHBondContact O-N 3.29Å; Q307-A311 WeakPolarHBondContact O-CB 3.3Å; Q307-A311 PolarHBondContact O-N 2.96Å; Q307-L878 HydrophobicContact CB-CD1 4.3Å; Q307-L878 HydrophobicContact CG-CD1 3.31Å; Q307-L878 HydrophobicContact CG-CD2 4.11Å; Q307-L878 HydrophobicContact CG-CG 4.37Å
308K89.1Confident89.2Confident145 Ų14563.5 Ų63.563%0.6336%0.36SS*.Hα-helixtrans-64.4-44176.7-70.3173.8-175.7175.80111S304 A305 A311 V312S304-K308 WeakPolarHBondContact O-CG 3.34Å; S304-K308 PolarHBondContact O-N 3.11Å; A305-K308 PolarHBondContact O-N 3.49Å; K308-A311 PolarHBondContact O-N 3.45Å; K308-V312 VanDerWaalsContact O-CG2 3.28Å; K308-V312 WeakPolarHBondContact O-CG2 3.42Å; K308-V312 PolarHBondContact O-N 2.79Å
309T89.7Confident89.3Confident75 Ų7564.8 Ų64.846%0.4636%0.359SS..Hα-helixtrans-66-40.6178.5580000112.1A305 C306 V312 A313A305-T309 WeakPolarHBondContact O-CG2 3.46Å; A305-T309 PolarHBondContact O-N 3.19Å; A305-T309 PolarHBondContact O-OG1 2.97Å; C306-T309 WeakPolarHBondContact CA-OG1 3.4Å; C306-T309 PolarHBondContact O-OG1 3.47Å; T309-V312 PolarHBondContact O-N 3.32Å; T309-A313 VanDerWaalsContact O-CB 3.26Å; T309-A313 WeakPolarHBondContact O-CB 3.43Å; T309-A313 PolarHBondContact O-N 3.26Å
310E92.6Very high89.3Confident38 Ų3863.1 Ų63.118%0.17835%0.352CS..Hα-helixtrans-62.8-44.4174.7-172.3-86.7165.700111.9C306 V312 A313 K314 A874 K875 L878C306-E310 WeakPolarHBondContact O-CB 3.1Å; C306-E310 PolarHBondContact O-N 3.39Å; E310-V312 PolarHBondContact O-N 2.92Å; E310-A313 PolarHBondContact O-N 3.4Å; E310-K314 WeakPolarHBondContact O-CB 3.32Å; E310-K314 PolarHBondContact O-N 2.88Å; E310-A874 HydrophobicContact CB-CB 4.16Å; E310-K875 HydrophobicContact CG-CB 4.23Å; E310-L878 HydrophobicContact CB-CD2 4.09Å; E310-L878 HydrophobicContact CG-CD2 4.13Å
311A85.7Confident89.4Confident58 Ų5862.6 Ų62.648%0.47936%0.355SS..Hα-helixtrans-62.7-42.4177.600000112.3Q307 K308 G315Q307-A311 WeakPolarHBondContact O-CB 3.3Å; Q307-A311 PolarHBondContact O-N 2.96Å; K308-A311 PolarHBondContact O-N 3.45Å; A311-G315 PolarHBondContact O-N 3.49Å
312V90.5Very high89.5Confident102 Ų10265.5 Ų65.562%0.61836%0.36SS*.Hα-helixtrans-65.2-47.5176.6171.10000110.9K308 T309 E310 G315 A316K308-V312 VanDerWaalsContact O-CG2 3.28Å; K308-V312 WeakPolarHBondContact O-CG2 3.42Å; K308-V312 PolarHBondContact O-N 2.79Å; T309-V312 PolarHBondContact O-N 3.32Å; E310-V312 PolarHBondContact O-N 2.92Å; V312-G315 PolarHBondContact O-N 3.24Å; V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 2.97Å
313A89.8Confident89.5Confident15 Ų1565.7 Ų65.712%0.12436%0.364CS..Hα-helixtrans-65.3-41.3-179.300000112T309 E310 A316 S317 A874T309-A313 VanDerWaalsContact O-CB 3.26Å; T309-A313 WeakPolarHBondContact O-CB 3.43Å; T309-A313 PolarHBondContact O-N 3.26Å; E310-A313 PolarHBondContact O-N 3.4Å; A313-A316 PolarHBondContact O-N 3Å; A313-S317 WeakPolarHBondContact O-CB 3.19Å; A313-S317 PolarHBondContact O-N 3.03Å; A313-A874 HydrophobicContact CB-CB 4.15Å
314K88.3Confident89.6Confident103 Ų10364.4 Ų64.445%0.44836%0.358SS..Hα-helixtrans-62.3-44.4174-176.8-179.5-179.9-177.50111.8E310 A316 S317 Q318E310-K314 WeakPolarHBondContact O-CB 3.32Å; E310-K314 PolarHBondContact O-N 2.88Å; K314-A316 VanDerWaalsContact C-N 3.33Å; K314-A316 PolarHBondContact O-N 2.85Å; K314-S317 PolarHBondContact O-N 2.75Å; K314-Q318 PolarHBondContact O-N 2.75Å
315G88.3Confident89.7Confident14 Ų1471.2 Ų71.214%0.14438%0.376CS..Hα-helixtrans-63.5-37.6175.300000112.7A311 V312 R319A311-G315 PolarHBondContact O-N 3.49Å; V312-G315 PolarHBondContact O-N 3.24Å; G315-R319 WeakPolarHBondContact O-CG 3.28Å; G315-R319 PolarHBondContact O-N 2.8Å; G315-R319 PolarHBondContact O-NH1 2.75Å
316A88.9Confident89.7Confident26 Ų2671.5 Ų71.522%0.21538%0.379CS..Hα-helixtrans-65.6-45.6174.500000111.9V312 A313 K314 Q318 R319 A320V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 2.97Å; A313-A316 PolarHBondContact O-N 3Å; K314-A316 VanDerWaalsContact C-N 3.33Å; K314-A316 PolarHBondContact O-N 2.85Å; A316-Q318 PolarHBondContact O-N 2.82Å; A316-R319 PolarHBondContact O-N 3.44Å; A316-A320 WeakPolarHBondContact O-CB 3.5Å; A316-A320 PolarHBondContact O-N 3.37Å
317S89.9Confident89.6Confident21 Ų2171.3 Ų71.315%0.14738%0.379CS..Hα-helixtrans-58.9-43.8175.9174.60000112.7A313 K314 A320 S321 I868A313-S317 WeakPolarHBondContact O-CB 3.19Å; A313-S317 PolarHBondContact O-N 3.03Å; K314-S317 PolarHBondContact O-N 2.75Å; S317-A320 PolarHBondContact O-N 3.12Å; S317-S321 PolarHBondContact O-N 3.13Å; S317-I868 WeakPolarHBondContact OG-CG1 3.5Å
318Q89.7Confident89.8Confident116 Ų11672.1 Ų72.154%0.54238%0.381SS..Hα-helixtrans-62.2-45.6176-74.8-179.9-29.600112.6K314 A316 S321 E322K314-Q318 PolarHBondContact O-N 2.75Å; A316-Q318 PolarHBondContact O-N 2.82Å; Q318-S321 PolarHBondContact O-N 3.44Å; Q318-E322 PolarHBondContact O-N 2.73Å
319R88.3Confident89.8Confident156 Ų15671.5 Ų71.559%0.58938%0.381SS*.Hα-helixtrans-63.7-41.3177.3-72.9-173.3-62.1-90.40.9112.4G315 A316 S321 E322 S323G315-R319 WeakPolarHBondContact O-CG 3.28Å; G315-R319 PolarHBondContact O-N 2.8Å; G315-R319 PolarHBondContact O-NH1 2.75Å; A316-R319 PolarHBondContact O-N 3.44Å; R319-S321 VanDerWaalsContact C-N 3.31Å; R319-S321 PolarHBondContact O-N 2.89Å; R319-E322 PolarHBondContact O-N 2.87Å; R319-S323 WeakPolarHBondContact O-CB 3.29Å; R319-S323 PolarHBondContact O-N 2.88Å
320A90Very high89.8Confident11 Ų1175.6 Ų75.69%0.09139%0.388CS..Hα-helixtrans-62.3-40.9177.300000111.1A316 S317 S323 L324 E864 C867A316-A320 WeakPolarHBondContact O-CB 3.5Å; A316-A320 PolarHBondContact O-N 3.37Å; S317-A320 PolarHBondContact O-N 3.12Å; A320-S323 WeakPolarHBondContact O-CB 3.35Å; A320-S323 PolarHBondContact O-N 3.02Å; A320-L324 PolarHBondContact O-N 3.43Å; A320-E864 HydrophobicContact CB-CB 4.17Å; A320-E864 HydrophobicContact CB-CG 4.42Å; A320-C867 HydrophobicContact CB-CB 4.18Å
321S89.6Confident89.8Confident53 Ų5374.5 Ų74.537%0.37138%0.383SS..Hα-helixtrans-64.5-43.1176.4-1600000113.4S317 Q318 R319 L324 R325 E864S317-S321 PolarHBondContact O-N 3.13Å; Q318-S321 PolarHBondContact O-N 3.44Å; R319-S321 VanDerWaalsContact C-N 3.31Å; R319-S321 PolarHBondContact O-N 2.89Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-R325 PolarHBondContact O-N 3.03Å; S321-E864 WeakPolarHBondContact CA-OE1 3.11Å; S321-E864 WeakPolarHBondContact CB-OE1 3.46Å; S321-E864 PolarHBondContact OG-OE1 3.39Å
322E89.8Confident90.1Very high141 Ų14178.9 Ų78.966%0.65939%0.392SS*.Hα-helixtrans-63.6-41.7174-72.8178.4177.400112Q318 R319 R325 A326Q318-E322 PolarHBondContact O-N 2.73Å; R319-E322 PolarHBondContact O-N 2.87Å; E322-R325 PolarHBondContact O-N 2.95Å; E322-A326 PolarHBondContact O-N 2.77Å
323S89.5Confident90Very high71 Ų7176.8 Ų76.850%0.49738%0.381SS..Hα-helixtrans-60.5-46.2175.9-1720000111.6R319 A320 R325 A326 A327R319-S323 WeakPolarHBondContact O-CB 3.29Å; R319-S323 PolarHBondContact O-N 2.88Å; A320-S323 WeakPolarHBondContact O-CB 3.35Å; A320-S323 PolarHBondContact O-N 3.02Å; S323-R325 VanDerWaalsContact C-N 3.35Å; S323-R325 PolarHBondContact O-N 3.28Å; S323-A326 PolarHBondContact O-N 2.9Å; S323-A327 WeakPolarHBondContact O-CB 3.36Å; S323-A327 PolarHBondContact O-N 3.04Å
324L93.1Very high90.1Very high9 Ų976.9 Ų76.95%0.04738%0.379CS..Hα-helixtrans-61.6-43.3176.4177.661.9000111.9A320 S321 A326 A327 K328 V857 A860 Q861 E864A320-L324 PolarHBondContact O-N 3.43Å; S321-L324 PolarHBondContact O-N 3.25Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.29Å; L324-A327 PolarHBondContact O-N 3.33Å; L324-K328 HydrophobicContact CD1-CD 4.27Å; L324-K328 HydrophobicContact CD1-CG 4.18Å; L324-K328 HydrophobicContact CG-CD 4.21Å; L324-K328 HydrophobicContact CG-CG 4.49Å; L324-K328 WeakPolarHBondContact O-CB 3.41Å; L324-K328 WeakPolarHBondContact O-CG 3.27Å; L324-K328 PolarHBondContact O-N 3.18Å; L324-V857 HydrophobicContact CD1-CG1 3.99Å; L324-A860 HydrophobicContact CB-CB 4.33Å; L324-A860 HydrophobicContact CD1-CB 3.94Å; L324-Q861 HydrophobicContact CD1-CB 4.35Å; L324-Q861 HydrophobicContact CD1-CG 3.31Å; L324-Q861 HydrophobicContact CD2-CG 3.72Å; L324-Q861 HydrophobicContact CG-CG 4.17Å; L324-E864 WeakPolarHBondContact CD2-OE2 3.46Å
325R90.6Very high90.2Very high192 Ų19276 Ų7673%0.72538%0.377SS*.Hα-helixtrans-60.1-43.9177.6-177.7179.6172.8-176.1-1.4111.3S321 E322 S323 K328 Q329S321-R325 PolarHBondContact O-N 3.03Å; E322-R325 PolarHBondContact O-N 2.95Å; S323-R325 VanDerWaalsContact C-N 3.35Å; S323-R325 PolarHBondContact O-N 3.28Å; R325-K328 PolarHBondContact O-N 2.87Å; R325-Q329 WeakPolarHBondContact O-CB 3.24Å; R325-Q329 PolarHBondContact O-N 2.59Å
326A90Very high90.3Very high57 Ų5778 Ų7847%0.47139%0.392SS..Hα-helixtrans-64.1-44.1177.200000111.9E322 S323 L324 Q329 R330E322-A326 PolarHBondContact O-N 2.77Å; S323-A326 PolarHBondContact O-N 2.9Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.29Å; A326-Q329 PolarHBondContact O-N 3.04Å; A326-R330 PolarHBondContact O-N 2.9Å
327A89.9Confident90.3Very high23 Ų2381.3 Ų81.319%0.1940%0.403CS..Hα-helixtrans-61-46.3176.800000111.8S323 L324 Q329 R330 V331 V857S323-A327 WeakPolarHBondContact O-CB 3.36Å; S323-A327 PolarHBondContact O-N 3.04Å; L324-A327 PolarHBondContact O-N 3.33Å; A327-Q329 VanDerWaalsContact C-N 3.33Å; A327-Q329 PolarHBondContact O-N 3.48Å; A327-R330 WeakPolarHBondContact O-CB 3.27Å; A327-R330 PolarHBondContact O-N 3.27Å; A327-V331 PolarHBondContact O-N 3.48Å; A327-V857 HydrophobicContact CB-CG2 3.7Å
328K92.6Very high90.4Very high88 Ų8880.9 Ų80.938%0.38340%0.4SS..Hα-helixtrans-61.3-38.7175.9-76.9-178.9172.8171.60112.9L324 R325 K332 V857L324-K328 HydrophobicContact CD1-CD 4.27Å; L324-K328 HydrophobicContact CD1-CG 4.18Å; L324-K328 HydrophobicContact CG-CD 4.21Å; L324-K328 HydrophobicContact CG-CG 4.49Å; L324-K328 WeakPolarHBondContact O-CB 3.41Å; L324-K328 WeakPolarHBondContact O-CG 3.27Å; L324-K328 PolarHBondContact O-N 3.18Å; R325-K328 PolarHBondContact O-N 2.87Å; K328-K332 PolarHBondContact O-N 3.31Å; K328-K332 VanDerWaalsContact O-N 3.14Å; K328-V857 HydrophobicContact CG-CG1 3.92Å; K328-V857 HydrophobicContact CG-CG2 4.32Å
329Q89.7Confident90.4Very high132 Ų13280.4 Ų80.462%0.61740%0.4SS*.Hα-helixtrans-68.5-36.9177.6-170172-6.100111.6R325 A326 A327 S333R325-Q329 WeakPolarHBondContact O-CB 3.24Å; R325-Q329 PolarHBondContact O-N 2.59Å; A326-Q329 PolarHBondContact O-N 3.04Å; A327-Q329 VanDerWaalsContact C-N 3.33Å; A327-Q329 PolarHBondContact O-N 3.48Å; Q329-S333 PolarHBondContact O-N 3.05Å; Q329-S333 VanDerWaalsContact O-N 3.07Å
330R89.8Confident90.4Very high162 Ų16278.3 Ų78.361%0.61140%0.397SS*.Hα-helixtrans-62.9-49.2174.7-174.6174.5179.1170.3-2111.7A326 A327 K332 S333 M334A326-R330 PolarHBondContact O-N 2.9Å; A327-R330 WeakPolarHBondContact O-CB 3.27Å; A327-R330 PolarHBondContact O-N 3.27Å; R330-K332 PolarHBondContact O-N 3.37Å; R330-S333 PolarHBondContact O-N 2.74Å; R330-S333 VanDerWaalsContact O-N 3.15Å; R330-S333 PolarHBondContact O-OG 3.44Å; R330-M334 HydrophobicContact CG-SD 3.82Å; R330-M334 WeakPolarHBondContact O-CG 3.41Å; R330-M334 PolarHBondContact O-N 3.38Å
331V92.4Very high90.4Very high14 Ų1479.2 Ų79.29%0.08540%0.4CS..Hα-helixtrans-55.7-50.4175.9170.30000110.9A327 S333 M334 E335 L850 A853 I854 V857A327-V331 PolarHBondContact O-N 3.48Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-S333 PolarHBondContact O-N 3.02Å; V331-M334 PolarHBondContact O-N 3.48Å; V331-M334 VanDerWaalsContact O-N 3.09Å; V331-E335 HydrophobicContact CG1-CG 4.23Å; V331-E335 WeakPolarHBondContact O-CG 3.25Å; V331-E335 PolarHBondContact O-N 2.81Å; V331-L850 HydrophobicContact CG1-CD1 4.01Å; V331-A853 HydrophobicContact CG2-CB 3.83Å; V331-A853 WeakPolarHBondContact CG2-O 3.37Å; V331-I854 HydrophobicContact CG1-CG1 3.95Å; V331-I854 HydrophobicContact CG2-CG1 4.25Å; V331-V857 HydrophobicContact CB-CG2 4.48Å; V331-V857 HydrophobicContact CG2-CG2 3.6Å
332K90.9Very high90.4Very high151 Ų15180.5 Ų80.566%0.65740%0.403SS*.Hα-helixtrans-56.2-40.6177-77.5-174176.2-172.30113.6K328 R330 A336K328-K332 PolarHBondContact O-N 3.31Å; K328-K332 VanDerWaalsContact O-N 3.14Å; R330-K332 PolarHBondContact O-N 3.37Å; K332-A336 PolarHBondContact O-N 3.42Å; K332-A336 VanDerWaalsContact O-N 3.16Å
333S89.4Confident90.4Very high57 Ų5780.1 Ų80.140%0.39940%0.401SS..Hα-helixtrans-68-37.9178.568.20000112.5Q329 R330 V331 Q337Q329-S333 PolarHBondContact O-N 3.05Å; Q329-S333 VanDerWaalsContact O-N 3.07Å; R330-S333 PolarHBondContact O-N 2.74Å; R330-S333 VanDerWaalsContact O-N 3.15Å; R330-S333 PolarHBondContact O-OG 3.44Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-S333 PolarHBondContact O-N 3.02Å; S333-Q337 WeakPolarHBondContact O-CG 3.49Å; S333-Q337 PolarHBondContact O-N 2.7Å; S333-Q337 VanDerWaalsContact O-N 3.14Å
334M91Very high90.5Very high17 Ų1780.7 Ų80.78%0.08440%0.396CS..Hα-helixtrans-75.1-36.6179.6-66.1175.586.300111.5R330 V331 Q337 C338 L846 S849 L850 A853R330-M334 HydrophobicContact CG-SD 3.82Å; R330-M334 WeakPolarHBondContact O-CG 3.41Å; R330-M334 PolarHBondContact O-N 3.38Å; V331-M334 PolarHBondContact O-N 3.48Å; V331-M334 VanDerWaalsContact O-N 3.09Å; M334-Q337 PolarHBondContact O-N 3.36Å; M334-C338 WeakPolarHBondContact O-CB 3.2Å; M334-C338 PolarHBondContact O-N 3.47Å; M334-C338 PolarHBondContact O-SG 2.98Å; M334-L846 HydrophobicContact CE-CD1 4.05Å; M334-S849 WeakPolarHBondContact CE-OG 3.36Å; M334-L850 HydrophobicContact CB-CD1 3.9Å; M334-A853 HydrophobicContact SD-CB 4.09Å
335E91.2Very high90.4Very high85 Ų8581.7 Ų81.740%0.39740%0.401SS..Hα-helixtrans-59.2-45.7171-74.3176159.800111.6V331 Q337 C338 I339 L850V331-E335 HydrophobicContact CG1-CG 4.23Å; V331-E335 WeakPolarHBondContact O-CG 3.25Å; V331-E335 PolarHBondContact O-N 2.81Å; E335-Q337 VanDerWaalsContact C-N 3.35Å; E335-Q337 PolarHBondContact O-N 2.97Å; E335-C338 WeakPolarHBondContact O-CB 3.07Å; E335-C338 PolarHBondContact O-N 3.3Å; E335-I339 WeakPolarHBondContact O-CG1 3.46Å; E335-I339 PolarHBondContact O-N 2.96Å; E335-L850 HydrophobicContact CG-CD1 3.81Å; E335-L850 HydrophobicContact CG-CD2 3.98Å
336A90.2Very high90.3Very high56 Ų5675 Ų7546%0.46338%0.384SS..Hα-helixtrans-61.6-42.9177.100000112K332 I339 E340K332-A336 PolarHBondContact O-N 3.42Å; K332-A336 VanDerWaalsContact O-N 3.16Å; A336-I339 PolarHBondContact O-N 3.02Å; A336-E340 PolarHBondContact O-N 3.21Å
337Q89.5Confident90.2Very high95 Ų9575.4 Ų75.444%0.44438%0.383SS..Hα-helixtrans-64.4-41.2175.3-73.7174.4-3.900112.2S333 M334 E335 I339 E340 L341 L846S333-Q337 WeakPolarHBondContact O-CG 3.49Å; S333-Q337 PolarHBondContact O-N 2.7Å; S333-Q337 VanDerWaalsContact O-N 3.14Å; M334-Q337 PolarHBondContact O-N 3.36Å; E335-Q337 VanDerWaalsContact C-N 3.35Å; E335-Q337 PolarHBondContact O-N 2.97Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 3.02Å; Q337-E340 PolarHBondContact O-N 2.95Å; Q337-L341 WeakPolarHBondContact O-CB 3.48Å; Q337-L341 PolarHBondContact O-N 3.48Å; Q337-L846 HydrophobicContact CB-CD2 3.66Å
338C90.5Very high90.1Very high13 Ų1377.6 Ų77.69%0.08839%0.389CS..Hα-helixtrans-59.2-44175.2-83.10000111.5M334 E335 D342 L846M334-C338 WeakPolarHBondContact O-CB 3.2Å; M334-C338 PolarHBondContact O-N 3.47Å; M334-C338 PolarHBondContact O-SG 2.98Å; E335-C338 WeakPolarHBondContact O-CB 3.07Å; E335-C338 PolarHBondContact O-N 3.3Å; C338-D342 VanDerWaalsContact O-CB 3.3Å; C338-D342 WeakPolarHBondContact O-CB 3.31Å; C338-D342 PolarHBondContact O-N 2.95Å; C338-L846 HydrophobicContact CB-CD2 4.35Å; C338-L846 VanDerWaalsContact SG-CD2 3.5Å
339I90.1Very high89.7Confident105 Ų10577.7 Ų77.754%0.53839%0.39SS..Hα-helixtrans-63.3-47.1177.8-67.3165000110.5E335 A336 Q337 L341 D342 E343E335-I339 WeakPolarHBondContact O-CG1 3.46Å; E335-I339 PolarHBondContact O-N 2.96Å; A336-I339 PolarHBondContact O-N 3.02Å; Q337-I339 VanDerWaalsContact C-N 3.33Å; Q337-I339 PolarHBondContact O-N 3.02Å; I339-L341 PolarHBondContact O-N 2.73Å; I339-D342 PolarHBondContact O-N 2.91Å; I339-E343 WeakPolarHBondContact O-CG 3.5Å; I339-E343 PolarHBondContact O-N 3.24Å
340E89.1Confident89.5Confident113 Ų11378 Ų7853%0.52839%0.39SS..Hα-helixtrans-61.6-45.2179.6-172.4-179.5175.300112.1A336 Q337 E343 Q344A336-E340 PolarHBondContact O-N 3.21Å; Q337-E340 PolarHBondContact O-N 2.95Å; E340-E343 PolarHBondContact O-N 3.27Å; E340-Q344 VanDerWaalsContact O-CG 3.31Å; E340-Q344 WeakPolarHBondContact O-CG 3.38Å; E340-Q344 PolarHBondContact O-N 3.49Å
341L89.8Confident89.3Confident29 Ų2972.1 Ų72.115%0.15238%0.375CS..Hα-helixtrans-64.6-37.7176.2-89.8150.5000112.3Q337 I339 Q344 L345 L839 E842 L843 L846Q337-L341 WeakPolarHBondContact O-CB 3.48Å; Q337-L341 PolarHBondContact O-N 3.48Å; I339-L341 PolarHBondContact O-N 2.73Å; L341-Q344 PolarHBondContact O-N 2.77Å; L341-L345 VanDerWaalsContact O-CB 3.26Å; L341-L345 WeakPolarHBondContact O-CB 2.83Å; L341-L345 PolarHBondContact O-N 3.4Å; L341-L839 HydrophobicContact CD2-CD2 3.64Å; L341-E842 HydrophobicContact CD2-CB 4.44Å; L341-L843 HydrophobicContact CB-CB 4.48Å; L341-L843 HydrophobicContact CB-CD1 3.92Å; L341-L846 HydrophobicContact CD1-CD2 3.69Å
342D90.1Very high88.9Confident80 Ų8072 Ų7243%0.42838%0.376SS..Hα-helixtrans-67.2-40.5178.3-157.668.2000111.2C338 I339 L345 S346 L843C338-D342 VanDerWaalsContact O-CB 3.3Å; C338-D342 WeakPolarHBondContact O-CB 3.31Å; C338-D342 PolarHBondContact O-N 2.95Å; I339-D342 PolarHBondContact O-N 2.91Å; D342-L345 PolarHBondContact O-N 3.19Å; D342-S346 VanDerWaalsContact O-CB 3.29Å; D342-S346 WeakPolarHBondContact O-CB 3.32Å; D342-S346 PolarHBondContact O-N 3.29Å; D342-L843 VanDerWaalsContact CA-CD1 3.43Å; D342-L843 HydrophobicContact CB-CD1 3.65Å; D342-L843 VanDerWaalsContact N-CD1 3.32Å
343E90.2Very high88.4Confident134 Ų13470.7 Ų70.763%0.62637%0.372SS*.Hα-helixtrans-63.3-44.9173-74.5-175.5171.600111.9I339 E340 S346 S347I339-E343 WeakPolarHBondContact O-CG 3.5Å; I339-E343 PolarHBondContact O-N 3.24Å; E340-E343 PolarHBondContact O-N 3.27Å; E343-S346 PolarHBondContact O-N 3.38Å; E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.1Å
344Q89.8Confident88.1Confident83 Ų8371.3 Ų71.339%0.38838%0.381SS..Hα-helixtrans-61.7-47.5176.1-73.3179.915.700111.4E340 L341 S346 S347 K348E340-Q344 VanDerWaalsContact O-CG 3.31Å; E340-Q344 WeakPolarHBondContact O-CG 3.38Å; E340-Q344 PolarHBondContact O-N 3.49Å; L341-Q344 PolarHBondContact O-N 2.77Å; Q344-S346 PolarHBondContact O-N 3.27Å; Q344-S347 PolarHBondContact O-N 2.64Å; Q344-S347 PolarHBondContact O-OG 3.41Å; Q344-K348 WeakPolarHBondContact O-CB 3.33Å; Q344-K348 WeakPolarHBondContact O-CG 3.33Å; Q344-K348 PolarHBondContact O-N 2.8Å
345L90.8Very high87.8Confident29 Ų2971.2 Ų71.215%0.15238%0.383CS..Hα-helixtrans-59-48176.4-174.9161.1000111L341 D342 S347 K348 H349 L839 A840L341-L345 VanDerWaalsContact O-CB 3.26Å; L341-L345 WeakPolarHBondContact O-CB 2.83Å; L341-L345 PolarHBondContact O-N 3.4Å; D342-L345 PolarHBondContact O-N 3.19Å; L345-S347 VanDerWaalsContact C-N 3.32Å; L345-S347 PolarHBondContact O-N 2.91Å; L345-K348 PolarHBondContact O-N 3.05Å; L345-H349 HydrophobicContact CD2-CB 4.47Å; L345-H349 VanDerWaalsContact O-CB 3.25Å; L345-H349 WeakPolarHBondContact O-CB 3.42Å; L345-H349 PolarHBondContact O-N 2.92Å; L345-L839 HydrophobicContact CB-CB 4.38Å; L345-A840 VanDerWaalsContact CD1-CA 3.42Å; L345-A840 HydrophobicContact CD1-CB 3.74Å
346S89.1Confident87.4Confident51 Ų5168.9 Ų68.936%0.35738%0.378SS..Hα-helixtrans-58.3-43.9177.8-172.10000111.8D342 E343 Q344 K350D342-S346 VanDerWaalsContact O-CB 3.29Å; D342-S346 WeakPolarHBondContact O-CB 3.32Å; D342-S346 PolarHBondContact O-N 3.29Å; E343-S346 PolarHBondContact O-N 3.38Å; Q344-S346 PolarHBondContact O-N 3.27Å; S346-K350 WeakPolarHBondContact O-CG 3.36Å; S346-K350 PolarHBondContact O-N 3.16Å; S346-K350 VanDerWaalsContact O-N 3.1Å
347S88.5Confident87Confident67 Ų6767.2 Ų67.247%0.46937%0.367SS..Hα-helixtrans-64.9-42.6177.578.20000112.5E343 Q344 L345 A351E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.1Å; Q344-S347 PolarHBondContact O-N 2.64Å; Q344-S347 PolarHBondContact O-OG 3.41Å; L345-S347 VanDerWaalsContact C-N 3.32Å; L345-S347 PolarHBondContact O-N 2.91Å; S347-A351 WeakPolarHBondContact O-CB 3.44Å; S347-A351 PolarHBondContact O-N 3.49Å
348K87.5Confident86.5Confident68 Ų6869.8 Ų69.830%0.29638%0.382SS..Hα-helixtrans-71.9-38.6179.8-72.8-73.7-175.4165.20112.3Q344 L345 A351 A352 L832 E835 A836 L839Q344-K348 WeakPolarHBondContact O-CB 3.33Å; Q344-K348 WeakPolarHBondContact O-CG 3.33Å; Q344-K348 PolarHBondContact O-N 2.8Å; L345-K348 PolarHBondContact O-N 3.05Å; K348-A351 CarbonylContact O-C 3.35Å; K348-A351 WeakPolarHBondContact O-CB 3.36Å; K348-A351 PolarHBondContact O-N 3.39Å; K348-A352 WeakPolarHBondContact O-CB 3.48Å; K348-A352 PolarHBondContact O-N 3Å; K348-L832 HydrophobicContact CD-CD2 4.13Å; K348-E835 WeakPolarHBondContact CE-OE2 3.42Å; K348-E835 IonicContact NZ-OE2 2.57Å; K348-E835 PolarHBondContact NZ-OE2 3.39Å; K348-A836 HydrophobicContact CB-CB 4.47Å; K348-L839 HydrophobicContact CB-CD1 4.3Å; K348-L839 HydrophobicContact CG-CD1 3.92Å
349H84.9Confident85.9Confident91 Ų9175.2 Ų75.242%0.42141%0.406SS..Hα-helixtrans-64.2-43176-164.1-36.4000111.1L345 A351 A352 E353L345-H349 HydrophobicContact CD2-CB 4.47Å; L345-H349 VanDerWaalsContact O-CB 3.25Å; L345-H349 WeakPolarHBondContact O-CB 3.42Å; L345-H349 PolarHBondContact O-N 2.92Å; H349-A351 VanDerWaalsContact C-N 3.33Å; H349-A351 PolarHBondContact O-N 2.72Å; H349-A352 PolarHBondContact O-N 3.32Å; H349-E353 IonicContact CE1-OE1 2.74Å; H349-E353 PolarHBondContact CE1-OE1 2.79Å; H349-E353 VanDerWaalsContact CE1-OE1 3.27Å; H349-E353 IonicContact ND1-OE1 2.74Å; H349-E353 WeakPolarHBondContact O-CG 3.42Å; H349-E353 PolarHBondContact O-N 3.37Å
350K85.5Confident85.7Confident139 Ų13971.8 Ų71.860%0.60439%0.386SS*.Hα-helixtrans-61.9-40.7172.1-74.3173.6-178.7169.40112S346 E353 A354S346-K350 WeakPolarHBondContact O-CG 3.36Å; S346-K350 PolarHBondContact O-N 3.16Å; S346-K350 VanDerWaalsContact O-N 3.1Å; K350-E353 PolarHBondContact O-N 2.88Å; K350-A354 WeakPolarHBondContact O-CB 3.25Å; K350-A354 PolarHBondContact O-N 2.76Å
351A85.9Confident85.4Confident37 Ų3772.5 Ų72.531%0.30639%0.39SS..Hα-helixtrans-65.1-39.4176.100000112.2S347 K348 H349 A354 A355 L832S347-A351 WeakPolarHBondContact O-CB 3.44Å; S347-A351 PolarHBondContact O-N 3.49Å; K348-A351 CarbonylContact O-C 3.35Å; K348-A351 WeakPolarHBondContact O-CB 3.36Å; K348-A351 PolarHBondContact O-N 3.39Å; H349-A351 VanDerWaalsContact C-N 3.33Å; H349-A351 PolarHBondContact O-N 2.72Å; A351-A354 PolarHBondContact O-N 2.83Å; A351-A355 VanDerWaalsContact O-CB 3.29Å; A351-A355 WeakPolarHBondContact O-CB 3.47Å; A351-A355 PolarHBondContact O-N 3.5Å; A351-L832 HydrophobicContact CB-CD1 4.18Å; A351-L832 HydrophobicContact CB-CD2 4.44Å
352A83.8Confident85.1Confident13 Ų1373.6 Ų73.611%0.10740%0.4CS..Hα-helixtrans-66.2-42.7176.500000111.9K348 H349 A355 A356 L832K348-A352 WeakPolarHBondContact O-CB 3.48Å; K348-A352 PolarHBondContact O-N 3Å; H349-A352 PolarHBondContact O-N 3.32Å; A352-A355 PolarHBondContact O-N 3.07Å; A352-A356 WeakPolarHBondContact O-CB 3.37Å; A352-A356 PolarHBondContact O-N 2.99Å; A352-L832 HydrophobicContact CB-CB 4Å
353E80.5Confident84.9Confident122 Ų12270.9 Ų70.957%0.5739%0.386SS*.Hα-helixtrans-63.3-44.1173.7-75.4-177.4168.900111.9H349 K350 A355 A356 G357H349-E353 IonicContact CE1-OE1 2.74Å; H349-E353 PolarHBondContact CE1-OE1 2.79Å; H349-E353 VanDerWaalsContact CE1-OE1 3.27Å; H349-E353 IonicContact ND1-OE1 2.74Å; H349-E353 WeakPolarHBondContact O-CG 3.42Å; H349-E353 PolarHBondContact O-N 3.37Å; K350-E353 PolarHBondContact O-N 2.88Å; E353-A355 VanDerWaalsContact C-N 3.33Å; E353-A355 PolarHBondContact O-N 3.44Å; E353-A356 CarbonylContact O-C 3.59Å; E353-A356 PolarHBondContact O-N 3.42Å; E353-G357 PolarHBondContact O-N 3.32Å
354A83.4Confident84.7Confident70 Ų7068 Ų6858%0.57938%0.375SS*.Hα-helixtrans-61.6-41.8175.300000111.7K350 A351 A356 G357K350-A354 WeakPolarHBondContact O-CB 3.25Å; K350-A354 PolarHBondContact O-N 2.76Å; A351-A354 PolarHBondContact O-N 2.83Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 2.96Å; A354-G357 PolarHBondContact O-N 3.29Å; A354-G357 VanDerWaalsContact O-N 3.1Å
355A83.5Confident84.4Confident16 Ų1666.9 Ų66.913%0.13238%0.379CS..Hα-helixtrans-65.6-29.6176.100000112.9A351 A352 E353 Y360 K829 L832A351-A355 VanDerWaalsContact O-CB 3.29Å; A351-A355 WeakPolarHBondContact O-CB 3.47Å; A351-A355 PolarHBondContact O-N 3.5Å; A352-A355 PolarHBondContact O-N 3.07Å; E353-A355 VanDerWaalsContact C-N 3.33Å; E353-A355 PolarHBondContact O-N 3.44Å; A355-Y360 WeakPolarHBondContact O-CB 3.45Å; A355-K829 HydrophobicContact CB-CB 4.41Å; A355-L832 HydrophobicContact CB-CD1 3.97Å
356A81.8Confident84.2Confident36 Ų3669.6 Ų69.630%0.29839%0.391SS..THydrogen-bonded Turntrans-87.8-2173.700000113.9A352 E353 A354 K829A352-A356 WeakPolarHBondContact O-CB 3.37Å; A352-A356 PolarHBondContact O-N 2.99Å; E353-A356 CarbonylContact O-C 3.59Å; E353-A356 PolarHBondContact O-N 3.42Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 2.96Å; A356-K829 HydrophobicContact CB-CD 4.29Å; A356-K829 HydrophobicContact CB-CG 4.27Å
357G83.4Confident84.1Confident21 Ų2167.2 Ų67.222%0.21637%0.374CS..SBendtrans-79.3-151.9-171.500000115.1E353 A354 E359 Y360 Q361E353-G357 PolarHBondContact O-N 3.32Å; A354-G357 PolarHBondContact O-N 3.29Å; A354-G357 VanDerWaalsContact O-N 3.1Å; G357-E359 VanDerWaalsContact C-N 3.31Å; G357-E359 PolarHBondContact O-N 3.45Å; G357-Y360 PolarHBondContact O-N 2.9Å; G357-Q361 PolarHBondContact O-N 3.34Å
358I78.8Confident83.9Confident149 Ų14968.7 Ų68.776%0.76437%0.374SS*.Hα-helixtrans-58.2-39.8-170.3-60.9172.2000112.1Q361 S362I358-Q361 PolarHBondContact O-N 3.21Å; I358-S362 VanDerWaalsContact O-CB 3.29Å; I358-S362 WeakPolarHBondContact O-CB 3.4Å; I358-S362 PolarHBondContact O-N 2.97Å
359E77.1Confident83.6Confident127 Ų12770.3 Ų70.359%0.59338%0.383SS*.Hα-helixtrans-62.7-45.5179.6-73.2-170.3177.300112.6G357 S362 V363 K825G357-E359 VanDerWaalsContact C-N 3.31Å; G357-E359 PolarHBondContact O-N 3.45Å; E359-S362 WeakPolarHBondContact O-CB 3.48Å; E359-S362 PolarHBondContact O-N 3.19Å; E359-V363 WeakPolarHBondContact O-CG2 3.48Å; E359-V363 PolarHBondContact O-N 3.29Å; E359-K825 IonicContact OE2-NZ 3.42Å; E359-K825 PolarHBondContact OE2-NZ 3.35Å
360Y87.1Confident83.7Confident33 Ų3366.1 Ų66.113%0.12936%0.364CS..Hα-helixtrans-64.3-44.5178.7172.7-95.2000111.1A355 G357 S362 V363 L364 L822 K825 N826A355-Y360 WeakPolarHBondContact O-CB 3.45Å; G357-Y360 PolarHBondContact O-N 2.9Å; Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 2.8Å; Y360-V363 PolarHBondContact O-N 3.17Å; Y360-L364 HydrophobicContact CE1-CD1 4.19Å; Y360-L364 WeakPolarHBondContact O-CB 3.35Å; Y360-L364 PolarHBondContact O-N 3.13Å; Y360-L822 HydrophobicContact CD2-CD1 4.33Å; Y360-L822 HydrophobicContact CE2-CD1 3.71Å; Y360-K825 HydrophobicContact CD2-CB 4.03Å; Y360-N826 HydrophobicContact CE2-CB 4Å; Y360-N826 PolarHBondContact OH-OD1 3.07Å
361Q82.1Confident83.6Confident127 Ų12763.3 Ų63.359%0.59335%0.352SS*.Hα-helixtrans-61.7-38.2176-66.9-176.36.400111.9G357 I358 L364 A365G357-Q361 PolarHBondContact O-N 3.34Å; I358-Q361 PolarHBondContact O-N 3.21Å; Q361-L364 PolarHBondContact O-N 3.49Å; Q361-A365 WeakPolarHBondContact O-CB 3.35Å; Q361-A365 PolarHBondContact O-N 3.27Å
362S83Confident83.4Confident53 Ų5366.1 Ų66.137%0.37137%0.365SS..Hα-helixtrans-63.5-47.9175.6-173.80000111.7I358 E359 Y360 L364 A365 Q366I358-S362 VanDerWaalsContact O-CB 3.29Å; I358-S362 WeakPolarHBondContact O-CB 3.4Å; I358-S362 PolarHBondContact O-N 2.97Å; E359-S362 WeakPolarHBondContact O-CB 3.48Å; E359-S362 PolarHBondContact O-N 3.19Å; Y360-S362 VanDerWaalsContact C-N 3.28Å; Y360-S362 PolarHBondContact O-N 2.8Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-L364 PolarHBondContact O-N 2.86Å; S362-A365 PolarHBondContact O-N 3.16Å; S362-Q366 WeakPolarHBondContact O-CB 3.43Å; S362-Q366 VanDerWaalsContact O-CG 3.26Å; S362-Q366 WeakPolarHBondContact O-CG 3.39Å; S362-Q366 PolarHBondContact O-N 3.07Å; S362-Q366 PolarHBondContact OG-NE2 2.97Å
363V86.6Confident83.4Confident23 Ų2371.2 Ų71.214%0.13939%0.385CS..Hα-helixtrans-64.9-38.5177.8174.90000111.4E359 Y360 Q366 S367 A821 L822E359-V363 WeakPolarHBondContact O-CG2 3.48Å; E359-V363 PolarHBondContact O-N 3.29Å; Y360-V363 PolarHBondContact O-N 3.17Å; V363-Q366 PolarHBondContact O-N 3.1Å; V363-S367 WeakPolarHBondContact O-CB 3.15Å; V363-S367 PolarHBondContact O-N 3.43Å; V363-A821 HydrophobicContact CG1-CB 4.07Å; V363-L822 HydrophobicContact CG1-CB 4.09Å; V363-L822 HydrophobicContact CG1-CD1 4.34Å
364L86.1Confident83.6Confident74 Ų7467.8 Ų67.839%0.38737%0.368SS..Hα-helixtrans-62.2-46.4175.2-174.5119.3000111.4Y360 Q361 S362 S367 E368 L822Y360-L364 HydrophobicContact CE1-CD1 4.19Å; Y360-L364 WeakPolarHBondContact O-CB 3.35Å; Y360-L364 PolarHBondContact O-N 3.13Å; Q361-L364 PolarHBondContact O-N 3.49Å; S362-L364 VanDerWaalsContact C-N 3.34Å; S362-L364 PolarHBondContact O-N 2.86Å; L364-S367 PolarHBondContact O-N 2.92Å; L364-E368 PolarHBondContact O-N 3.37Å; L364-E368 VanDerWaalsContact O-N 3.08Å; L364-L822 HydrophobicContact CB-CD1 4.11Å; L364-L822 HydrophobicContact CD1-CD1 4.15Å
365A83.8Confident83.4Confident58 Ų5869.8 Ų69.848%0.47937%0.365SS..Hα-helixtrans-63-43.6175.700000112Q361 S362 S367 E368 E369Q361-A365 WeakPolarHBondContact O-CB 3.35Å; Q361-A365 PolarHBondContact O-N 3.27Å; S362-A365 PolarHBondContact O-N 3.16Å; A365-S367 VanDerWaalsContact C-N 3.34Å; A365-S367 PolarHBondContact O-N 3.12Å; A365-E368 PolarHBondContact O-N 3.44Å; A365-E369 WeakPolarHBondContact O-CB 3.26Å; A365-E369 PolarHBondContact O-N 3.13Å
366Q85.6Confident83.1Confident86 Ų8671.7 Ų71.740%0.40238%0.381SS..Hα-helixtrans-62.3-39.1176-74.1175.113.700112.4S362 V363 E369 A370 T818S362-Q366 WeakPolarHBondContact O-CB 3.43Å; S362-Q366 VanDerWaalsContact O-CG 3.26Å; S362-Q366 WeakPolarHBondContact O-CG 3.39Å; S362-Q366 PolarHBondContact O-N 3.07Å; S362-Q366 PolarHBondContact OG-NE2 2.97Å; V363-Q366 PolarHBondContact O-N 3.1Å; Q366-E369 PolarHBondContact O-N 2.87Å; Q366-A370 WeakPolarHBondContact O-CB 3.45Å; Q366-A370 PolarHBondContact O-N 3.41Å; Q366-T818 HydrophobicContact CB-CG2 4.26Å
367S86.6Confident83.1Confident1 Ų170.6 Ų70.61%0.00737%0.372CS..Hα-helixtrans-63.4-46.1176167.10000111.5V363 L364 A365 A370 K371V363-S367 WeakPolarHBondContact O-CB 3.15Å; V363-S367 PolarHBondContact O-N 3.43Å; L364-S367 PolarHBondContact O-N 2.92Å; A365-S367 VanDerWaalsContact C-N 3.34Å; A365-S367 PolarHBondContact O-N 3.12Å; S367-A370 PolarHBondContact O-N 3.32Å; S367-K371 WeakPolarHBondContact O-CG 3.4Å; S367-K371 PolarHBondContact O-N 2.81Å
368E84.8Confident82.9Confident98 Ų9874.1 Ų74.146%0.45838%0.383SS..Hα-helixtrans-65.3-41.6176.7-72.2-57.4133.100111.6L364 A365 A370 K371 V372L364-E368 PolarHBondContact O-N 3.37Å; L364-E368 VanDerWaalsContact O-N 3.08Å; A365-E368 PolarHBondContact O-N 3.44Å; E368-A370 PolarHBondContact O-N 3.16Å; E368-K371 PolarHBondContact O-N 3.47Å; E368-K371 IonicContact OE1-NZ 3.15Å; E368-K371 PolarHBondContact OE1-NZ 3.43Å; E368-V372 WeakPolarHBondContact O-CG2 3.46Å; E368-V372 PolarHBondContact O-N 3.37Å; E368-V372 VanDerWaalsContact O-N 3.15Å
369E82.5Confident82.7Confident102 Ų10273.8 Ų73.848%0.47738%0.376SS..Hα-helixtrans-62.9-42.3175.1-166.5-171.1158.400112.2A365 Q366 V372 K373A365-E369 WeakPolarHBondContact O-CB 3.26Å; A365-E369 PolarHBondContact O-N 3.13Å; Q366-E369 PolarHBondContact O-N 2.87Å; E369-V372 PolarHBondContact O-N 2.88Å; E369-K373 HydrophobicContact CG-CD 4.37Å; E369-K373 WeakPolarHBondContact O-CB 3.23Å; E369-K373 WeakPolarHBondContact O-CG 3.31Å; E369-K373 PolarHBondContact O-N 2.96Å; E369-K373 VanDerWaalsContact OE1-CE 3.24Å; E369-K373 WeakPolarHBondContact OE1-CE 3.42Å; E369-K373 IonicContact OE1-NZ 3.21Å; E369-K373 PolarHBondContact OE1-NZ 3.31Å
370A86.5Confident82.5Confident4 Ų473.2 Ų73.23%0.03337%0.368CS..Hα-helixtrans-63.1-41.417800000111.7Q366 S367 E368 K373 F374 Q814 V815Q366-A370 WeakPolarHBondContact O-CB 3.45Å; Q366-A370 PolarHBondContact O-N 3.41Å; S367-A370 PolarHBondContact O-N 3.32Å; E368-A370 PolarHBondContact O-N 3.16Å; A370-K373 PolarHBondContact O-N 3.41Å; A370-F374 WeakPolarHBondContact O-CB 3.4Å; A370-F374 PolarHBondContact O-N 2.86Å; A370-Q814 HydrophobicContact CB-CB 4.39Å; A370-Q814 HydrophobicContact CB-CG 3.95Å; A370-V815 VanDerWaalsContact C-CG2 3.44Å; A370-V815 HydrophobicContact CB-CG2 3.83Å; A370-V815 WeakPolarHBondContact O-CG2 3.34Å
371K83.5Confident82Confident80 Ų8072.3 Ų72.335%0.34837%0.365SS..Hα-helixtrans-59.7-47.8174.6-75.6177-171.2165.80111.8S367 E368 K373 F374 E375S367-K371 WeakPolarHBondContact O-CG 3.4Å; S367-K371 PolarHBondContact O-N 2.81Å; E368-K371 PolarHBondContact O-N 3.47Å; E368-K371 IonicContact OE1-NZ 3.15Å; E368-K371 PolarHBondContact OE1-NZ 3.43Å; K371-K373 VanDerWaalsContact C-N 3.33Å; K371-K373 PolarHBondContact O-N 2.83Å; K371-F374 PolarHBondContact O-N 3.03Å; K371-E375 PolarHBondContact O-N 3.31Å
372V81.7Confident81.6Confident95 Ų9573 Ų7358%0.57637%0.369SS*.Hα-helixtrans-61.3-43.4178.8174.60000110.8E368 E369 E375 A376E368-V372 WeakPolarHBondContact O-CG2 3.46Å; E368-V372 PolarHBondContact O-N 3.37Å; E368-V372 VanDerWaalsContact O-N 3.15Å; E369-V372 PolarHBondContact O-N 2.88Å; V372-E375 PolarHBondContact O-N 3.25Å; V372-A376 WeakPolarHBondContact O-CB 3.33Å; V372-A376 PolarHBondContact O-N 2.98Å
373K82.2Confident80.8Confident121 Ų12171.2 Ų71.253%0.52636%0.357SS..Hα-helixtrans-63-41.5175.6-78.7174.4169.9167.90112.5E369 A370 K371 A376 A377E369-K373 HydrophobicContact CG-CD 4.37Å; E369-K373 WeakPolarHBondContact O-CB 3.23Å; E369-K373 WeakPolarHBondContact O-CG 3.31Å; E369-K373 PolarHBondContact O-N 2.96Å; E369-K373 VanDerWaalsContact OE1-CE 3.24Å; E369-K373 WeakPolarHBondContact OE1-CE 3.42Å; E369-K373 IonicContact OE1-NZ 3.21Å; E369-K373 PolarHBondContact OE1-NZ 3.31Å; A370-K373 PolarHBondContact O-N 3.41Å; K371-K373 VanDerWaalsContact C-N 3.33Å; K371-K373 PolarHBondContact O-N 2.83Å; K373-A376 PolarHBondContact O-N 3.05Å; K373-A377 WeakPolarHBondContact O-CB 3.46Å; K373-A377 PolarHBondContact O-N 2.68Å
374F85.6Confident79.9Confident50 Ų5070.6 Ų70.622%0.21935%0.354CS..Hα-helixtrans-64.7-46.5177.5177.2-102.6000111.9A370 K371 A376 A377 Q378 L808 A811 K812 V815A370-F374 WeakPolarHBondContact O-CB 3.4Å; A370-F374 PolarHBondContact O-N 2.86Å; K371-F374 PolarHBondContact O-N 3.03Å; F374-A376 VanDerWaalsContact C-N 3.28Å; F374-A376 PolarHBondContact O-N 2.73Å; F374-A377 PolarHBondContact O-N 2.91Å; F374-Q378 VanDerWaalsContact CE1-OE1 3.32Å; F374-Q378 WeakPolarHBondContact O-CB 3.41Å; F374-Q378 PolarHBondContact O-N 2.68Å; F374-L808 HydrophobicContact CD2-CD1 3.85Å; F374-L808 HydrophobicContact CE2-CD1 3.53Å; F374-L808 HydrophobicContact CE2-CG 4.37Å; F374-L808 HydrophobicContact CZ-CD1 4.3Å; F374-A811 HydrophobicContact CB-CB 4.06Å; F374-A811 HydrophobicContact CD2-CB 4.19Å; F374-K812 HydrophobicContact CD2-CB 3.93Å; F374-K812 HydrophobicContact CD2-CG 4.41Å; F374-K812 HydrophobicContact CE2-CB 3.63Å; F374-K812 HydrophobicContact CE2-CD 4.49Å; F374-K812 HydrophobicContact CE2-CG 3.8Å; F374-K812 HydrophobicContact CZ-CG 4.41Å; F374-V815 HydrophobicContact CB-CG2 3.7Å; F374-V815 HydrophobicContact CG-CG2 4.26Å
375E79.5Confident79Confident111 Ų11173.1 Ų73.152%0.51936%0.362SS..Hα-helixtrans-59-41.3175.2-74.5-173-17500112K371 V372 K379K371-E375 PolarHBondContact O-N 3.31Å; V372-E375 PolarHBondContact O-N 3.25Å; E375-K379 VanDerWaalsContact O-CG 3.3Å; E375-K379 WeakPolarHBondContact O-CG 3.4Å; E375-K379 PolarHBondContact O-N 3.32Å; E375-K379 VanDerWaalsContact O-N 3.1Å
376A77.2Confident78.1Confident57 Ų5773.9 Ų73.947%0.47136%0.363SS..Hα-helixtrans-65.6-44.8176.400000112.1V372 K373 F374 Q378 K379 R380V372-A376 WeakPolarHBondContact O-CB 3.33Å; V372-A376 PolarHBondContact O-N 2.98Å; K373-A376 PolarHBondContact O-N 3.05Å; F374-A376 VanDerWaalsContact C-N 3.28Å; F374-A376 PolarHBondContact O-N 2.73Å; A376-Q378 VanDerWaalsContact C-N 3.35Å; A376-Q378 PolarHBondContact O-N 2.99Å; A376-K379 PolarHBondContact O-N 2.83Å; A376-R380 WeakPolarHBondContact O-CB 3.3Å; A376-R380 PolarHBondContact O-N 3.13Å
377A81.4Confident76.7Confident12 Ų1271.1 Ų71.110%0.09936%0.358CS..Hα-helixtrans-65.2-37.3177.600000112.1K373 F374 R380 L381 L808 A811K373-A377 WeakPolarHBondContact O-CB 3.46Å; K373-A377 PolarHBondContact O-N 2.68Å; F374-A377 PolarHBondContact O-N 2.91Å; A377-R380 PolarHBondContact O-N 2.85Å; A377-L381 PolarHBondContact O-N 2.8Å; A377-L808 HydrophobicContact CB-CB 4.37Å; A377-L808 HydrophobicContact CB-CD1 4.04Å; A377-A811 HydrophobicContact CB-CB 4.26Å
378Q79.7Confident75.1Confident95 Ų9573.6 Ų73.644%0.44437%0.371SS..Hα-helixtrans-66.6-45.2178.9-166.5177.3-2.200110.8F374 A376 R380 L381 Q382 L808F374-Q378 VanDerWaalsContact CE1-OE1 3.32Å; F374-Q378 WeakPolarHBondContact O-CB 3.41Å; F374-Q378 PolarHBondContact O-N 2.68Å; A376-Q378 VanDerWaalsContact C-N 3.35Å; A376-Q378 PolarHBondContact O-N 2.99Å; Q378-R380 VanDerWaalsContact C-N 3.31Å; Q378-R380 PolarHBondContact O-N 3.14Å; Q378-L381 PolarHBondContact O-N 3.12Å; Q378-Q382 WeakPolarHBondContact O-CB 3.49Å; Q378-Q382 PolarHBondContact O-N 3.16Å; Q378-L808 HydrophobicContact CB-CD1 3.82Å; Q378-L808 HydrophobicContact CG-CD1 4.36Å
379K75.3Confident73.7Confident142 Ų14269.1 Ų69.162%0.61735%0.35SS*.Hα-helixtrans-59.4-42.1172-72.3171.1-176.9168.10111.4E375 A376 A383E375-K379 VanDerWaalsContact O-CG 3.3Å; E375-K379 WeakPolarHBondContact O-CG 3.4Å; E375-K379 PolarHBondContact O-N 3.32Å; E375-K379 VanDerWaalsContact O-N 3.1Å; A376-K379 PolarHBondContact O-N 2.83Å; K379-A383 WeakPolarHBondContact O-CB 3.45Å; K379-A383 PolarHBondContact O-N 3.12Å
380R72.3Confident72.2Confident115 Ų11565.7 Ų65.743%0.43434%0.337SS..Hα-helixtrans-66.4-44.4179.1-172.9173.5-179.6163.6-3.5112.9A376 A377 Q378 A383 V384 A804A376-R380 WeakPolarHBondContact O-CB 3.3Å; A376-R380 PolarHBondContact O-N 3.13Å; A377-R380 PolarHBondContact O-N 2.85Å; Q378-R380 VanDerWaalsContact C-N 3.31Å; Q378-R380 PolarHBondContact O-N 3.14Å; R380-A383 WeakPolarHBondContact O-CB 3.37Å; R380-A383 PolarHBondContact O-N 2.78Å; R380-V384 WeakPolarHBondContact O-CG2 3.28Å; R380-V384 PolarHBondContact O-N 3.38Å; R380-A804 HydrophobicContact CG-CB 4.47Å
381L76.4Confident70.3Confident14 Ų1466.7 Ų66.77%0.07335%0.348CS..Hα-helixtrans-66.7-40.1178.2-178.361.8000111.7A377 Q378 A383 V384 K385 A804 E805 L808A377-L381 PolarHBondContact O-N 2.8Å; Q378-L381 PolarHBondContact O-N 3.12Å; L381-A383 VanDerWaalsContact C-N 3.26Å; L381-A383 PolarHBondContact O-N 3.02Å; L381-V384 PolarHBondContact O-N 3.1Å; L381-K385 HydrophobicContact CD1-CD 4.18Å; L381-K385 HydrophobicContact CD1-CG 3.98Å; L381-K385 HydrophobicContact CD2-CD 4.42Å; L381-K385 HydrophobicContact CG-CD 4.07Å; L381-K385 HydrophobicContact CG-CG 4.25Å; L381-K385 WeakPolarHBondContact O-CB 3.39Å; L381-K385 PolarHBondContact O-N 3.12Å; L381-A804 HydrophobicContact CB-CB 4.42Å; L381-A804 HydrophobicContact CD1-CB 3.9Å; L381-E805 HydrophobicContact CD1-CB 4.35Å; L381-E805 HydrophobicContact CD1-CG 3.38Å; L381-E805 HydrophobicContact CD2-CG 4.09Å; L381-E805 HydrophobicContact CG-CG 4.39Å; L381-L808 HydrophobicContact CB-CD2 4.27Å; L381-L808 HydrophobicContact CD2-CB 4.28Å; L381-L808 HydrophobicContact CD2-CD2 3.34Å; L381-L808 HydrophobicContact CD2-CG 4.43Å; L381-L808 HydrophobicContact CG-CD2 4.41Å
382Q73.4Confident68.7Low141 Ų14171.6 Ų71.666%0.65937%0.372SS*.Hα-helixtrans-60.4-40176.5-171.5176.36.600111.4Q378 S386Q378-Q382 WeakPolarHBondContact O-CB 3.49Å; Q378-Q382 PolarHBondContact O-N 3.16Å; Q382-S386 PolarHBondContact O-N 2.74Å; Q382-S386 PolarHBondContact O-OG 3.36Å
383A66.9Low66.9Low16 Ų1672.9 Ų72.913%0.13238%0.376CS..Hα-helixtrans-59.5-57169.100000111.5K379 R380 L381 K385 S386 L388 A396K379-A383 WeakPolarHBondContact O-CB 3.45Å; K379-A383 PolarHBondContact O-N 3.12Å; R380-A383 WeakPolarHBondContact O-CB 3.37Å; R380-A383 PolarHBondContact O-N 2.78Å; L381-A383 VanDerWaalsContact C-N 3.26Å; L381-A383 PolarHBondContact O-N 3.02Å; A383-K385 PolarHBondContact O-N 3.31Å; A383-S386 PolarHBondContact O-N 2.86Å; A383-S386 VanDerWaalsContact O-N 3.14Å; A383-S386 PolarHBondContact O-OG 3.05Å; A383-L388 CarbonylContact C-O 3.54Å; A383-L388 VanDerWaalsContact O-CB 3.28Å; A383-L388 WeakPolarHBondContact O-CB 3.06Å; A383-L388 PolarHBondContact O-N 2.96Å; A383-A396 HydrophobicContact CB-CB 3.42Å; A383-A396 VanDerWaalsContact CB-CB 3.42Å
384V67.6Low65.2Low11 Ų1170.1 Ų70.17%0.06738%0.382CS..Hα-helixtrans-61.7-41.9-175.1179.80000113R380 L381 S386 G387 L388 E800 Q801 A804R380-V384 WeakPolarHBondContact O-CG2 3.28Å; R380-V384 PolarHBondContact O-N 3.38Å; L381-V384 PolarHBondContact O-N 3.1Å; V384-S386 VanDerWaalsContact C-N 3.27Å; V384-S386 PolarHBondContact O-N 3.48Å; V384-G387 PolarHBondContact O-N 3.18Å; V384-L388 WeakPolarHBondContact CA-O 3.23Å; V384-L388 PolarHBondContact O-N 3.33Å; V384-E800 HydrophobicContact CG1-CB 4.46Å; V384-Q801 HydrophobicContact CG1-CB 3.77Å; V384-Q801 HydrophobicContact CG1-CG 4.24Å; V384-A804 HydrophobicContact CB-CB 4.46Å; V384-A804 HydrophobicContact CG2-CB 4.19Å
385K66.3Low63.3Low127 Ų12773.5 Ų73.555%0.55241%0.406SS*.Hα-helixtrans-64.5-26.5178.5-78.7-173.9172.4177.40114.1L381 A383 G387 E805L381-K385 HydrophobicContact CD1-CD 4.18Å; L381-K385 HydrophobicContact CD1-CG 3.98Å; L381-K385 HydrophobicContact CD2-CD 4.42Å; L381-K385 HydrophobicContact CG-CD 4.07Å; L381-K385 HydrophobicContact CG-CG 4.25Å; L381-K385 WeakPolarHBondContact O-CB 3.39Å; L381-K385 PolarHBondContact O-N 3.12Å; A383-K385 PolarHBondContact O-N 3.31Å; K385-G387 PolarHBondContact O-N 2.96Å; K385-G387 VanDerWaalsContact O-N 3.14Å; K385-E805 WeakPolarHBondContact CE-OE1 3.26Å; K385-E805 IonicContact NZ-OE1 3.74Å
386S64.6Low61.6Low73 Ų7369.1 Ų69.151%0.5139%0.389SS..THydrogen-bonded Turntrans-75.99.7174.439.80000113Q382 A383 V384 L388Q382-S386 PolarHBondContact O-N 2.74Å; Q382-S386 PolarHBondContact O-OG 3.36Å; A383-S386 PolarHBondContact O-N 2.86Å; A383-S386 VanDerWaalsContact O-N 3.14Å; A383-S386 PolarHBondContact O-OG 3.05Å; V384-S386 VanDerWaalsContact C-N 3.27Å; V384-S386 PolarHBondContact O-N 3.48Å; S386-L388 WeakPolarHBondContact O-CG 3.49Å; S386-L388 VanDerWaalsContact OG-CD1 3.25Å; S386-L388 WeakPolarHBondContact OG-CD1 3.14Å
387G56.4Low60.3Low28 Ų2867.3 Ų67.329%0.28937%0.374SS..THydrogen-bonded Turntrans86.415.317800000112.7V384 K385 S398 R797V384-G387 PolarHBondContact O-N 3.18Å; K385-G387 PolarHBondContact O-N 2.96Å; K385-G387 VanDerWaalsContact O-N 3.14Å; G387-S398 VanDerWaalsContact O-CA 3.26Å; G387-S398 WeakPolarHBondContact O-CA 3Å; G387-R797 PolarHBondContact O-NH2 3.06Å
388L54.4Low59Low54 Ų5468.1 Ų68.128%0.28338%0.379SS..  trans-117.7109.4-161.6-60.3176.2000110.2A383 V384 S386 A396 A397A383-L388 CarbonylContact C-O 3.54Å; A383-L388 VanDerWaalsContact O-CB 3.28Å; A383-L388 WeakPolarHBondContact O-CB 3.06Å; A383-L388 PolarHBondContact O-N 2.96Å; V384-L388 WeakPolarHBondContact CA-O 3.23Å; V384-L388 PolarHBondContact O-N 3.33Å; S386-L388 WeakPolarHBondContact O-CG 3.49Å; S386-L388 VanDerWaalsContact OG-CD1 3.25Å; S386-L388 WeakPolarHBondContact OG-CD1 3.14Å; L388-A396 HydrophobicContact CB-CB 3.11Å; L388-A396 HydrophobicContact CD1-CB 3.6Å; L388-A396 WeakPolarHBondContact CD1-O 3.46Å; L388-A396 VanDerWaalsContact CD2-O 3.3Å; L388-A396 WeakPolarHBondContact CD2-O 3.17Å; L388-A396 HydrophobicContact CG-CB 3.91Å; L388-A397 CarbonylContact C-O 3.18Å; L388-A397 VanDerWaalsContact CD2-CA 3.44Å
389S54.4Low57.9Low4 Ų463.8 Ų63.83%0.02836%0.359CS..EExtended strand (participates in β ladder)trans-70.5134.1173.61560000109.1G391 A397 Q402 E800S389-G391 PolarHBondContact O-N 3.01Å; S389-G391 VanDerWaalsContact O-N 3.12Å; S389-A397 PolarHBondContact N-O 2.99Å; S389-A397 PolarHBondContact O-N 3.38Å; S389-Q402 PolarHBondContact O-NE2 3.41Å; S389-Q402 PolarHBondContact OG-NE2 3.29Å; S389-Q402 VanDerWaalsContact OG-NE2 3.15Å; S389-E800 VanDerWaalsContact CA-OE2 3.27Å; S389-E800 WeakPolarHBondContact CA-OE2 3.42Å; S389-E800 WeakPolarHBondContact CB-OE2 3.45Å; S389-E800 PolarHBondContact OG-OE1 2.79Å; S389-E800 PolarHBondContact OG-OE2 3.22Å
390S50.8Low57.1Low29 Ų2960.5 Ų60.520%0.20336%0.359CS..EExtended strand (participates in β ladder)trans-72.299.7179.535.20000109.9
391G47.1Very low56.3Low26 Ų2657.9 Ų57.927%0.26835%0.351SS..  trans-62.5160.9164.700000110.5S389 N393 G394S389-G391 PolarHBondContact O-N 3.01Å; S389-G391 VanDerWaalsContact O-N 3.12Å; G391-N393 PolarHBondContact O-N 3.29Å; G391-G394 PolarHBondContact O-N 3.35Å
392E48.8Very low55.6Low182 Ų18258.3 Ų58.385%0.8535%0.353SS*.THydrogen-bonded Turntrans-52.7-16.4-177.5-72.4176.9159.600114.4
393N44.4Very low55.1Low123 Ų12352.5 Ų52.566%0.65833%0.327SS*.THydrogen-bonded Turntrans-103.812.4-179.6-59.914.4000114.3G391 V395G391-N393 PolarHBondContact O-N 3.29Å; N393-V395 VanDerWaalsContact C-N 3.25Å; N393-V395 PolarHBondContact O-N 3.33Å
394G47.7Very low55.1Low63 Ų6359.3 Ų59.365%0.64935%0.349SS*.SBendtrans74.71.9172.600000116.4G391G391-G394 PolarHBondContact O-N 3.35Å
395V43.9Very low55.2Low120 Ų12060.8 Ų60.873%0.72736%0.358SS*.  trans-91.6128.5169.9-174.60000108.7N393N393-V395 VanDerWaalsContact C-N 3.25Å; N393-V395 PolarHBondContact O-N 3.33Å
396A44.1Very low55.3Low19 Ų1955 Ų5516%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-93.2133.3-168.900000108.6A383 L388A383-A396 HydrophobicContact CB-CB 3.42Å; A383-A396 VanDerWaalsContact CB-CB 3.42Å; L388-A396 HydrophobicContact CB-CB 3.11Å; L388-A396 HydrophobicContact CD1-CB 3.6Å; L388-A396 WeakPolarHBondContact CD1-O 3.46Å; L388-A396 VanDerWaalsContact CD2-O 3.3Å; L388-A396 WeakPolarHBondContact CD2-O 3.17Å; L388-A396 HydrophobicContact CG-CB 3.91Å
397A50.7Low55.7Low19 Ų1954.9 Ų54.916%0.15733%0.328CS..EExtended strand (participates in β ladder)trans-147.5148.9172.600000113.5L388 S389 Q402L388-A397 CarbonylContact C-O 3.18Å; L388-A397 VanDerWaalsContact CD2-CA 3.44Å; S389-A397 PolarHBondContact N-O 2.99Å; S389-A397 PolarHBondContact O-N 3.38Å; A397-Q402 HydrophobicContact CB-CG 3.62Å; A397-Q402 WeakPolarHBondContact O-CG 3.36Å; A397-Q402 PolarHBondContact O-NE2 2.94Å
398S54.8Low56.5Low30 Ų3055.1 Ų55.121%0.2133%0.33CS..  trans-60.7148.7177.1136.80000111.8G387 A400 E401 Q402 R797G387-S398 VanDerWaalsContact O-CA 3.26Å; G387-S398 WeakPolarHBondContact O-CA 3Å; S398-A400 PolarHBondContact O-N 3.11Å; S398-E401 CarbonylContact O-C 3.46Å; S398-E401 VanDerWaalsContact O-CA 3.29Å; S398-E401 WeakPolarHBondContact O-CA 3.49Å; S398-E401 VanDerWaalsContact O-CB 3.28Å; S398-E401 WeakPolarHBondContact O-CB 3.4Å; S398-E401 PolarHBondContact O-N 3.34Å; S398-E401 WeakPolarHBondContact OG-CB 3.13Å; S398-E401 PolarHBondContact OG-N 2.96Å; S398-E401 VanDerWaalsContact OG-N 3.15Å; S398-Q402 WeakPolarHBondContact O-CA 3.35Å; S398-Q402 WeakPolarHBondContact O-CB 3.48Å; S398-Q402 VanDerWaalsContact O-CG 3.27Å; S398-Q402 WeakPolarHBondContact O-CG 3.39Å; S398-Q402 PolarHBondContact O-N 3.07Å; S398-R797 PolarHBondContact OG-NH2 3.24Å
399L55.8Low57.4Low3 Ų355.2 Ų55.22%0.01633%0.329CS..Hα-helixtrans-63.4-43.2-176.3-90.7125.7000114.6E401 Q402 V403 K789 A793 E796 R797L399-E401 VanDerWaalsContact C-N 3.25Å; L399-Q402 PolarHBondContact O-N 3.12Å; L399-V403 PolarHBondContact O-N 3.27Å; L399-K789 VanDerWaalsContact CD2-C 3.48Å; L399-K789 HydrophobicContact CD2-CB 3.86Å; L399-K789 VanDerWaalsContact CD2-O 3.24Å; L399-K789 WeakPolarHBondContact CD2-O 3.35Å; L399-A793 HydrophobicContact CB-CB 3.81Å; L399-A793 HydrophobicContact CD1-CB 4.04Å; L399-A793 HydrophobicContact CD2-CB 4.18Å; L399-A793 HydrophobicContact CG-CB 4.23Å; L399-E796 HydrophobicContact CD1-CB 4.31Å; L399-R797 HydrophobicContact CD1-CG 4.01Å
400A58.1Low58.5Low74 Ų7459.2 Ų59.261%0.61235%0.346SS*.Hα-helixtrans-67.3-33.3170.800000111S398 R404S398-A400 PolarHBondContact O-N 3.11Å; A400-R404 VanDerWaalsContact O-CB 3.23Å; A400-R404 WeakPolarHBondContact O-CB 3.19Å; A400-R404 PolarHBondContact O-N 3.46Å
401E56.2Low59.8Low59 Ų5961.3 Ų61.328%0.27636%0.36SS..Hα-helixtrans-71.9-27.6172.7-173.263.5-171.700111.9S398 L399 R404 V405S398-E401 CarbonylContact O-C 3.46Å; S398-E401 VanDerWaalsContact O-CA 3.29Å; S398-E401 WeakPolarHBondContact O-CA 3.49Å; S398-E401 VanDerWaalsContact O-CB 3.28Å; S398-E401 WeakPolarHBondContact O-CB 3.4Å; S398-E401 PolarHBondContact O-N 3.34Å; S398-E401 WeakPolarHBondContact OG-CB 3.13Å; S398-E401 PolarHBondContact OG-N 2.96Å; S398-E401 VanDerWaalsContact OG-N 3.15Å; L399-E401 VanDerWaalsContact C-N 3.25Å; E401-R404 CarbonylContact O-C 3.6Å; E401-R404 PolarHBondContact O-N 3.15Å; E401-R404 IonicContact OE1-CZ 3.49Å; E401-R404 IonicContact OE1-NE 3.68Å; E401-R404 IonicContact OE1-NH2 2.62Å; E401-R404 PolarHBondContact OE1-NH2 3.34Å; E401-R404 IonicContact OE2-CZ 3.27Å; E401-R404 VanDerWaalsContact OE2-CZ 3.27Å; E401-R404 IonicContact OE2-NE 2.71Å; E401-R404 PolarHBondContact OE2-NE 2.96Å; E401-R404 IonicContact OE2-NH2 3.03Å; E401-R404 PolarHBondContact OE2-NH2 3.05Å; E401-V405 HydrophobicContact CG-CG2 3.6Å; E401-V405 VanDerWaalsContact O-CA 3.24Å; E401-V405 WeakPolarHBondContact O-CA 3.16Å; E401-V405 WeakPolarHBondContact O-CB 3.28Å; E401-V405 WeakPolarHBondContact O-CG2 3.4Å; E401-V405 PolarHBondContact O-N 3.4Å; E401-V405 WeakPolarHBondContact OE1-CG2 3.2Å
402Q60.3Low61.1Low24 Ų2462.5 Ų62.511%0.11236%0.364CS..Hα-helixtrans-74.3-37179-81.4175.410.700108.2S389 A397 S398 L399 A406 A786S389-Q402 PolarHBondContact O-NE2 3.41Å; S389-Q402 PolarHBondContact OG-NE2 3.29Å; S389-Q402 VanDerWaalsContact OG-NE2 3.15Å; A397-Q402 HydrophobicContact CB-CG 3.62Å; A397-Q402 WeakPolarHBondContact O-CG 3.36Å; A397-Q402 PolarHBondContact O-NE2 2.94Å; S398-Q402 WeakPolarHBondContact O-CA 3.35Å; S398-Q402 WeakPolarHBondContact O-CB 3.48Å; S398-Q402 VanDerWaalsContact O-CG 3.27Å; S398-Q402 WeakPolarHBondContact O-CG 3.39Å; S398-Q402 PolarHBondContact O-N 3.07Å; L399-Q402 PolarHBondContact O-N 3.12Å; Q402-A406 WeakPolarHBondContact O-CA 3.43Å; Q402-A406 WeakPolarHBondContact O-CB 3.18Å; Q402-A406 PolarHBondContact O-N 3.43Å; Q402-A786 HydrophobicContact CB-CB 4.39Å
403V64Low62.4Low19 Ų1953.9 Ų53.912%0.11532%0.324CS..Hα-helixtrans-69.4-45169.7175.20000111L399 N407 A786 A790L399-V403 PolarHBondContact O-N 3.27Å; V403-N407 WeakPolarHBondContact O-CB 3.33Å; V403-N407 PolarHBondContact O-N 2.9Å; V403-N407 PolarHBondContact O-ND2 2.84Å; V403-A786 HydrophobicContact CG2-CB 4.25Å; V403-A786 WeakPolarHBondContact CG2-O 3.29Å; V403-A790 HydrophobicContact CB-CB 4.49Å; V403-A790 HydrophobicContact CG2-CB 3.33Å
404R67.2Low64.1Low159 Ų15952.9 Ų52.960%0.632%0.315SS*.Hα-helixtrans-68.5-34.9178.4-166.7-171.574.889.1-2.5112.6A400 E401 G408A400-R404 VanDerWaalsContact O-CB 3.23Å; A400-R404 WeakPolarHBondContact O-CB 3.19Å; A400-R404 PolarHBondContact O-N 3.46Å; E401-R404 CarbonylContact O-C 3.6Å; E401-R404 PolarHBondContact O-N 3.15Å; E401-R404 IonicContact OE1-CZ 3.49Å; E401-R404 IonicContact OE1-NE 3.68Å; E401-R404 IonicContact OE1-NH2 2.62Å; E401-R404 PolarHBondContact OE1-NH2 3.34Å; E401-R404 IonicContact OE2-CZ 3.27Å; E401-R404 VanDerWaalsContact OE2-CZ 3.27Å; E401-R404 IonicContact OE2-NE 2.71Å; E401-R404 PolarHBondContact OE2-NE 2.96Å; E401-R404 IonicContact OE2-NH2 3.03Å; E401-R404 PolarHBondContact OE2-NH2 3.05Å; R404-G408 WeakPolarHBondContact O-CA 3.37Å; R404-G408 PolarHBondContact O-N 2.82Å
405V68.2Low65.5Low42 Ų4252.8 Ų52.826%0.25530%0.302SS..Hα-helixtrans-78.8-40.4177168.30000108.9E401 G408 E409E401-V405 HydrophobicContact CG-CG2 3.6Å; E401-V405 VanDerWaalsContact O-CA 3.24Å; E401-V405 WeakPolarHBondContact O-CA 3.16Å; E401-V405 WeakPolarHBondContact O-CB 3.28Å; E401-V405 WeakPolarHBondContact O-CG2 3.4Å; E401-V405 PolarHBondContact O-N 3.4Å; E401-V405 WeakPolarHBondContact OE1-CG2 3.2Å; V405-G408 CarbonylContact O-C 3.3Å; V405-G408 PolarHBondContact O-N 3.49Å; V405-E409 HydrophobicContact CG1-CG 3.9Å; V405-E409 WeakPolarHBondContact O-CA 3.39Å; V405-E409 WeakPolarHBondContact O-CB 3.25Å; V405-E409 WeakPolarHBondContact O-CG 3.43Å; V405-E409 PolarHBondContact O-N 2.99Å
406A69.9Low67.2Low5 Ų549.8 Ų49.84%0.04128%0.28CS..Hα-helixtrans-72.6-38.8176.900000111.4Q402 G408 K410 A783 A786Q402-A406 WeakPolarHBondContact O-CA 3.43Å; Q402-A406 WeakPolarHBondContact O-CB 3.18Å; Q402-A406 PolarHBondContact O-N 3.43Å; A406-G408 VanDerWaalsContact C-N 3.35Å; A406-K410 WeakPolarHBondContact O-CB 3.31Å; A406-K410 PolarHBondContact O-N 3Å; A406-A783 VanDerWaalsContact CB-CA 3.47Å; A406-A783 HydrophobicContact CB-CB 3.98Å; A406-A786 HydrophobicContact CB-CB 3.95Å
407N73.4Confident69Low70 Ų7050.2 Ų50.237%0.37428%0.28SS..Hα-helixtrans-68.6-36.2168.5-79.4-39.4000111.9V403 K410 C411V403-N407 WeakPolarHBondContact O-CB 3.33Å; V403-N407 PolarHBondContact O-N 2.9Å; V403-N407 PolarHBondContact O-ND2 2.84Å; N407-K410 PolarHBondContact O-N 2.94Å; N407-C411 VanDerWaalsContact O-CB 3.23Å; N407-C411 WeakPolarHBondContact O-CB 3.29Å; N407-C411 PolarHBondContact O-N 3.27Å
408G73.1Confident70.4Confident33 Ų3351.9 Ų51.934%0.3429%0.29SS..Hα-helixtrans-68.6-35.5176.200000112.2R404 V405 A406 C411 S412R404-G408 WeakPolarHBondContact O-CA 3.37Å; R404-G408 PolarHBondContact O-N 2.82Å; V405-G408 CarbonylContact O-C 3.3Å; V405-G408 PolarHBondContact O-N 3.49Å; A406-G408 VanDerWaalsContact C-N 3.35Å; G408-C411 CarbonylContact O-C 3.54Å; G408-C411 PolarHBondContact O-N 2.91Å; G408-S412 VanDerWaalsContact O-CA 3.31Å; G408-S412 WeakPolarHBondContact O-CA 3.32Å; G408-S412 WeakPolarHBondContact O-CB 3.45Å; G408-S412 PolarHBondContact O-N 2.86Å; G408-S412 PolarHBondContact O-OG 2.94Å
409E73.3Confident71.7Confident57 Ų5755.9 Ų55.927%0.26631%0.305SS..Hα-helixtrans-72.5-39.9175-85.4177.717800109.5V405 S412 A413 A779V405-E409 HydrophobicContact CG1-CG 3.9Å; V405-E409 WeakPolarHBondContact O-CA 3.39Å; V405-E409 WeakPolarHBondContact O-CB 3.25Å; V405-E409 WeakPolarHBondContact O-CG 3.43Å; V405-E409 PolarHBondContact O-N 2.99Å; E409-S412 VanDerWaalsContact CA-OG 3.28Å; E409-S412 WeakPolarHBondContact CA-OG 3.45Å; E409-S412 PolarHBondContact O-OG 2.85Å; E409-A413 WeakPolarHBondContact O-CA 3.4Å; E409-A413 WeakPolarHBondContact O-CB 3.4Å; E409-A413 PolarHBondContact O-N 3.47Å; E409-A779 HydrophobicContact CB-CB 4.15Å
410K77.5Confident73.1Confident87 Ų8757 Ų5738%0.37831%0.311SS..Hα-helixtrans-61.2-53.5170.2179.7-172.2173.8-172.90109.8A406 N407 S412 A413 Q414 L776 A779A406-K410 WeakPolarHBondContact O-CB 3.31Å; A406-K410 PolarHBondContact O-N 3Å; N407-K410 PolarHBondContact O-N 2.94Å; K410-S412 VanDerWaalsContact C-N 3.32Å; K410-S412 PolarHBondContact O-N 3.23Å; K410-A413 PolarHBondContact O-N 3.13Å; K410-Q414 VanDerWaalsContact O-CB 3.29Å; K410-Q414 WeakPolarHBondContact O-CB 3.29Å; K410-Q414 PolarHBondContact O-N 2.78Å; K410-L776 HydrophobicContact CG-CD1 4.42Å; K410-L776 WeakPolarHBondContact O-CD1 3.26Å; K410-A779 HydrophobicContact CB-CB 4.48Å
411C77.9Confident74.3Confident74 Ų7458.3 Ų58.350%0.530%0.303SS..Hα-helixtrans-66-36-178.7-153.10000111.4N407 G408 Q414 T415N407-C411 VanDerWaalsContact O-CB 3.23Å; N407-C411 WeakPolarHBondContact O-CB 3.29Å; N407-C411 PolarHBondContact O-N 3.27Å; G408-C411 CarbonylContact O-C 3.54Å; G408-C411 PolarHBondContact O-N 2.91Å; C411-Q414 PolarHBondContact O-N 2.72Å; C411-T415 VanDerWaalsContact O-CB 3.32Å; C411-T415 WeakPolarHBondContact O-CB 3.49Å; C411-T415 PolarHBondContact O-N 2.62Å; C411-T415 PolarHBondContact O-OG1 3.07Å
412S74.1Confident75.6Confident51 Ų5161.6 Ų61.636%0.35732%0.32SS..Hα-helixtrans-73.2-43.7177.876.50000110.4G408 E409 K410 Q414 T415 E416G408-S412 VanDerWaalsContact O-CA 3.31Å; G408-S412 WeakPolarHBondContact O-CA 3.32Å; G408-S412 WeakPolarHBondContact O-CB 3.45Å; G408-S412 PolarHBondContact O-N 2.86Å; G408-S412 PolarHBondContact O-OG 2.94Å; E409-S412 VanDerWaalsContact CA-OG 3.28Å; E409-S412 WeakPolarHBondContact CA-OG 3.45Å; E409-S412 PolarHBondContact O-OG 2.85Å; K410-S412 VanDerWaalsContact C-N 3.32Å; K410-S412 PolarHBondContact O-N 3.23Å; S412-Q414 PolarHBondContact O-N 3.09Å; S412-T415 CarbonylContact O-C 3.56Å; S412-T415 PolarHBondContact O-N 3.38Å; S412-T415 VanDerWaalsContact O-N 3.14Å; S412-E416 WeakPolarHBondContact O-CA 3.14Å; S412-E416 WeakPolarHBondContact O-CB 3.46Å; S412-E416 PolarHBondContact O-N 3.05Å
413A76.4Confident76.7Confident0 Ų065.1 Ų65.10%033%0.332CS..Hα-helixtrans-61.4-36.1174.700000110.4E409 K410 L417 R775 L776E409-A413 WeakPolarHBondContact O-CA 3.4Å; E409-A413 WeakPolarHBondContact O-CB 3.4Å; E409-A413 PolarHBondContact O-N 3.47Å; K410-A413 PolarHBondContact O-N 3.13Å; A413-L417 WeakPolarHBondContact O-CB 3.39Å; A413-L417 PolarHBondContact O-N 3.45Å; A413-R775 HydrophobicContact CB-CG 4.49Å; A413-L776 HydrophobicContact CB-CB 4.05Å; A413-L776 HydrophobicContact CB-CD1 3.94Å
414Q78.5Confident77.7Confident103 Ų10366.5 Ų66.548%0.48134%0.337SS..Hα-helixtrans-69.2-40175.8-146.5168.2-2.300111.6K410 C411 S412 S418 L776K410-Q414 VanDerWaalsContact O-CB 3.29Å; K410-Q414 WeakPolarHBondContact O-CB 3.29Å; K410-Q414 PolarHBondContact O-N 2.78Å; C411-Q414 PolarHBondContact O-N 2.72Å; S412-Q414 PolarHBondContact O-N 3.09Å; Q414-S418 PolarHBondContact O-N 3.49Å; Q414-L776 HydrophobicContact CB-CD1 3.86Å; Q414-L776 HydrophobicContact CG-CD1 4.16Å; Q414-L776 HydrophobicContact CG-CD2 4.23Å
415T77.8Confident78.5Confident61 Ų6165.7 Ų65.737%0.37434%0.338SS..Hα-helixtrans-70.8-45.3176.2-54.20000111.2C411 S412 L417 S418 Q419C411-T415 VanDerWaalsContact O-CB 3.32Å; C411-T415 WeakPolarHBondContact O-CB 3.49Å; C411-T415 PolarHBondContact O-N 2.62Å; C411-T415 PolarHBondContact O-OG1 3.07Å; S412-T415 CarbonylContact O-C 3.56Å; S412-T415 PolarHBondContact O-N 3.38Å; S412-T415 VanDerWaalsContact O-N 3.14Å; T415-L417 VanDerWaalsContact C-N 3.34Å; T415-L417 PolarHBondContact O-N 2.93Å; T415-S418 CarbonylContact O-C 3.47Å; T415-S418 WeakPolarHBondContact O-CA 3.25Å; T415-S418 WeakPolarHBondContact O-CB 3.34Å; T415-S418 PolarHBondContact O-N 2.78Å; T415-S418 PolarHBondContact O-OG 2.8Å; T415-Q419 HydrophobicContact CG2-CG 4.25Å; T415-Q419 WeakPolarHBondContact O-CB 3.25Å; T415-Q419 VanDerWaalsContact O-CG 3.3Å; T415-Q419 WeakPolarHBondContact O-CG 3.39Å; T415-Q419 PolarHBondContact O-N 3.19Å
416E79Confident79.3Confident57 Ų5768.3 Ų68.327%0.26635%0.348SS..Hα-helixtrans-56.3-47.4175.3178.9179-16800109.5S412 S418 Q419 L420 A772 R775S412-E416 WeakPolarHBondContact O-CA 3.14Å; S412-E416 WeakPolarHBondContact O-CB 3.46Å; S412-E416 PolarHBondContact O-N 3.05Å; E416-S418 VanDerWaalsContact C-N 3.33Å; E416-S418 PolarHBondContact O-N 2.95Å; E416-Q419 PolarHBondContact O-N 3.26Å; E416-L420 HydrophobicContact CG-CD1 3.87Å; E416-L420 HydrophobicContact CG-CG 4.35Å; E416-L420 VanDerWaalsContact O-CB 3.29Å; E416-L420 WeakPolarHBondContact O-CB 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.34Å; E416-L420 PolarHBondContact O-N 3Å; E416-A772 HydrophobicContact CG-CB 4.47Å; E416-R775 IonicContact OE1-NH1 3.96Å; E416-R775 PolarHBondContact OE1-NH1 3.35Å; E416-R775 IonicContact OE2-CZ 3.99Å; E416-R775 IonicContact OE2-NH1 3.48Å; E416-R775 PolarHBondContact OE2-NH1 3.46Å
417L82.9Confident80Confident28 Ų2868.1 Ų68.115%0.14735%0.346CS..Hα-helixtrans-58.7-43.8174-173.7120.5000112.4A413 T415 K421 A772 E773A413-L417 WeakPolarHBondContact O-CB 3.39Å; A413-L417 PolarHBondContact O-N 3.45Å; T415-L417 VanDerWaalsContact C-N 3.34Å; T415-L417 PolarHBondContact O-N 2.93Å; L417-K421 HydrophobicContact CD2-CD 4.4Å; L417-K421 WeakPolarHBondContact O-CG 3.4Å; L417-K421 PolarHBondContact O-N 3.23Å; L417-K421 VanDerWaalsContact O-N 3.08Å; L417-A772 HydrophobicContact CD1-CB 4.44Å; L417-E773 HydrophobicContact CD1-CB 4.19Å; L417-E773 HydrophobicContact CD1-CG 3.27Å
418S80.7Confident80.5Confident53 Ų5368.9 Ų68.937%0.37135%0.347SS..Hα-helixtrans-67.9-38177.474.40000112.8Q414 T415 E416 M422Q414-S418 PolarHBondContact O-N 3.49Å; T415-S418 CarbonylContact O-C 3.47Å; T415-S418 WeakPolarHBondContact O-CA 3.25Å; T415-S418 WeakPolarHBondContact O-CB 3.34Å; T415-S418 PolarHBondContact O-N 2.78Å; T415-S418 PolarHBondContact O-OG 2.8Å; E416-S418 VanDerWaalsContact C-N 3.33Å; E416-S418 PolarHBondContact O-N 2.95Å; S418-M422 PolarHBondContact O-N 2.9Å; S418-M422 VanDerWaalsContact O-N 3.09Å
419Q82.2Confident80.9Confident114 Ų11471.9 Ų71.953%0.53336%0.355SS..Hα-helixtrans-69.6-44178-75.1175.9-8.500111.2T415 E416 K421 M422 R423T415-Q419 HydrophobicContact CG2-CG 4.25Å; T415-Q419 WeakPolarHBondContact O-CB 3.25Å; T415-Q419 VanDerWaalsContact O-CG 3.3Å; T415-Q419 WeakPolarHBondContact O-CG 3.39Å; T415-Q419 PolarHBondContact O-N 3.19Å; E416-Q419 PolarHBondContact O-N 3.26Å; Q419-K421 VanDerWaalsContact C-N 3.34Å; Q419-K421 PolarHBondContact O-N 2.87Å; Q419-M422 CarbonylContact O-C 3.54Å; Q419-M422 PolarHBondContact O-N 2.81Å; Q419-R423 VanDerWaalsContact O-CB 3.3Å; Q419-R423 WeakPolarHBondContact O-CB 3.21Å; Q419-R423 PolarHBondContact O-N 3.17Å
420L84.8Confident81.2Confident26 Ų2672.1 Ų72.114%0.13636%0.356CS..Hα-helixtrans-61.4-41.9175.4-72.8170.8000111E416 M422 R423 Q424 V765 L769 A772E416-L420 HydrophobicContact CG-CD1 3.87Å; E416-L420 HydrophobicContact CG-CG 4.35Å; E416-L420 VanDerWaalsContact O-CB 3.29Å; E416-L420 WeakPolarHBondContact O-CB 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.34Å; E416-L420 PolarHBondContact O-N 3Å; L420-M422 PolarHBondContact O-N 3.2Å; L420-R423 PolarHBondContact O-N 3.12Å; L420-Q424 WeakPolarHBondContact O-CB 3.16Å; L420-Q424 PolarHBondContact O-N 3.36Å; L420-V765 HydrophobicContact CD2-CG1 4.24Å; L420-V765 HydrophobicContact CD2-CG2 4.42Å; L420-L769 HydrophobicContact CB-CD1 4.09Å; L420-L769 HydrophobicContact CB-CG 4.5Å; L420-A772 HydrophobicContact CD1-CB 3.74Å
421K83Confident81.5Confident102 Ų10269.1 Ų69.144%0.44334%0.344SS..Hα-helixtrans-60.1-43.8173.2-77.6179.9-179.7-177.70112.3L417 Q419 K425 L769L417-K421 HydrophobicContact CD2-CD 4.4Å; L417-K421 WeakPolarHBondContact O-CG 3.4Å; L417-K421 PolarHBondContact O-N 3.23Å; L417-K421 VanDerWaalsContact O-N 3.08Å; Q419-K421 VanDerWaalsContact C-N 3.34Å; Q419-K421 PolarHBondContact O-N 2.87Å; K421-K425 PolarHBondContact O-N 2.9Å; K421-L769 HydrophobicContact CB-CD1 4.47Å; K421-L769 HydrophobicContact CG-CD1 3.74Å; K421-L769 HydrophobicContact CG-CD2 4.36Å; K421-L769 HydrophobicContact CG-CG 4.35Å
422M83.2Confident81.5Confident128 Ų12868.3 Ų68.363%0.63134%0.343SS*.Hα-helixtrans-65.4-41.2174.3-78.4-168.1-79.700112.2S418 Q419 L420 K425 H426S418-M422 PolarHBondContact O-N 2.9Å; S418-M422 VanDerWaalsContact O-N 3.09Å; Q419-M422 CarbonylContact O-C 3.54Å; Q419-M422 PolarHBondContact O-N 2.81Å; L420-M422 PolarHBondContact O-N 3.2Å; M422-K425 PolarHBondContact O-N 3.1Å; M422-H426 PolarHBondContact O-N 3.26Å
423R83.6Confident81.7Confident99 Ų9973 Ų7337%0.37436%0.357SS..Hα-helixtrans-66.9-42.2-178.9-172.563.7177.7167.24.2111.8Q419 L420 K425 H426 L427 E761 V765Q419-R423 VanDerWaalsContact O-CB 3.3Å; Q419-R423 WeakPolarHBondContact O-CB 3.21Å; Q419-R423 PolarHBondContact O-N 3.17Å; L420-R423 PolarHBondContact O-N 3.12Å; R423-K425 VanDerWaalsContact C-N 3.31Å; R423-K425 PolarHBondContact O-N 2.8Å; R423-H426 WeakPolarHBondContact O-CB 3.27Å; R423-H426 PolarHBondContact O-N 2.97Å; R423-H426 VanDerWaalsContact O-N 3.14Å; R423-L427 HydrophobicContact CG-CD1 3.95Å; R423-L427 HydrophobicContact CG-CG 4.3Å; R423-L427 WeakPolarHBondContact O-CB 3.28Å; R423-L427 WeakPolarHBondContact O-CG 3.29Å; R423-L427 PolarHBondContact O-N 2.85Å; R423-E761 IonicContact CZ-OE1 3.58Å; R423-E761 IonicContact NE-OE1 2.67Å; R423-E761 PolarHBondContact NE-OE1 3.5Å; R423-E761 VanDerWaalsContact NE-OE1 3.15Å; R423-E761 IonicContact NH2-OE1 3.11Å; R423-E761 PolarHBondContact NH2-OE1 2.94Å; R423-E761 IonicContact NH2-OE2 3.21Å; R423-V765 HydrophobicContact CG-CG2 4.27Å
424Q85.8Confident81.7Confident47 Ų4774.3 Ų74.322%0.2236%0.363CS..Hα-helixtrans-54.9-49.5173.7-171.3-171.611.300110.5L420 H426 L427 Q428 L762 V765 E766L420-Q424 WeakPolarHBondContact O-CB 3.16Å; L420-Q424 PolarHBondContact O-N 3.36Å; Q424-H426 VanDerWaalsContact C-N 3.32Å; Q424-H426 PolarHBondContact O-N 3.37Å; Q424-L427 PolarHBondContact O-N 3.35Å; Q424-Q428 VanDerWaalsContact O-CG 3.32Å; Q424-Q428 WeakPolarHBondContact O-CG 3.39Å; Q424-Q428 PolarHBondContact O-N 3.39Å; Q424-L762 HydrophobicContact CG-CD1 3.9Å; Q424-V765 HydrophobicContact CB-CG1 3.8Å; Q424-V765 HydrophobicContact CG-CG1 4.44Å; Q424-E766 HydrophobicContact CG-CG 4.39Å; Q424-E766 PolarHBondContact NE2-OE1 3.41Å
425K83Confident81.5Confident142 Ų14272.9 Ų72.962%0.61736%0.357SS*.Hα-helixtrans-62.9-38.4178.4-168.4177.6-177.8178.90112.3K421 M422 R423 N429K421-K425 PolarHBondContact O-N 2.9Å; M422-K425 PolarHBondContact O-N 3.1Å; R423-K425 VanDerWaalsContact C-N 3.31Å; R423-K425 PolarHBondContact O-N 2.8Å; K425-N429 PolarHBondContact O-N 2.77Å; K425-N429 PolarHBondContact O-ND2 3.42Å; K425-N429 VanDerWaalsContact O-ND2 3.15Å
426H85.5Confident81.3Confident98 Ų9872.9 Ų72.945%0.45436%0.363SS..Hα-helixtrans-65.1-50.7175.4-174.2-77.1000111.8M422 R423 Q424 Q428 N429 E430M422-H426 PolarHBondContact O-N 3.26Å; R423-H426 WeakPolarHBondContact O-CB 3.27Å; R423-H426 PolarHBondContact O-N 2.97Å; R423-H426 VanDerWaalsContact O-N 3.14Å; Q424-H426 VanDerWaalsContact C-N 3.32Å; Q424-H426 PolarHBondContact O-N 3.37Å; H426-Q428 VanDerWaalsContact C-N 3.32Å; H426-Q428 PolarHBondContact O-N 3.18Å; H426-N429 WeakPolarHBondContact O-CB 3.15Å; H426-N429 PolarHBondContact O-N 3.46Å; H426-N429 VanDerWaalsContact O-N 3.09Å; H426-E430 IonicContact CE1-OE2 3.11Å; H426-E430 PolarHBondContact CE1-OE2 2.92Å; H426-E430 IonicContact ND1-OE2 2.66Å; H426-E430 PolarHBondContact ND1-OE2 3.34Å; H426-E430 VanDerWaalsContact ND1-OE2 3.09Å; H426-E430 WeakPolarHBondContact O-CB 3.44Å; H426-E430 PolarHBondContact O-N 2.87Å
427L83.8Confident81.1Confident0 Ų074.1 Ų74.10%037%0.37CS..Hα-helixtrans-60.7-39.7-179.1-73.3170.9000111.9R423 Q424 N429 E430 L431 T758 E761 L762 V765R423-L427 HydrophobicContact CG-CD1 3.95Å; R423-L427 HydrophobicContact CG-CG 4.3Å; R423-L427 WeakPolarHBondContact O-CB 3.28Å; R423-L427 WeakPolarHBondContact O-CG 3.29Å; R423-L427 PolarHBondContact O-N 2.85Å; Q424-L427 PolarHBondContact O-N 3.35Å; L427-N429 VanDerWaalsContact C-N 3.31Å; L427-N429 PolarHBondContact O-N 3.33Å; L427-E430 PolarHBondContact O-N 2.81Å; L427-L431 WeakPolarHBondContact O-CB 3.48Å; L427-L431 PolarHBondContact O-N 3.35Å; L427-T758 HydrophobicContact CD2-CG2 4.27Å; L427-E761 HydrophobicContact CD1-CB 4.24Å; L427-E761 HydrophobicContact CD1-CG 3.74Å; L427-E761 HydrophobicContact CD2-CG 4.36Å; L427-L762 HydrophobicContact CB-CD1 3.92Å; L427-V765 HydrophobicContact CD1-CB 4.36Å; L427-V765 HydrophobicContact CD1-CG2 3.77Å
428Q84Confident80.4Confident86 Ų8673 Ų7340%0.40236%0.364SS..Hα-helixtrans-58.4-42.4173.7-74.6173.1-13.800112.2Q424 H426 A432 L762Q424-Q428 VanDerWaalsContact O-CG 3.32Å; Q424-Q428 WeakPolarHBondContact O-CG 3.39Å; Q424-Q428 PolarHBondContact O-N 3.39Å; H426-Q428 VanDerWaalsContact C-N 3.32Å; H426-Q428 PolarHBondContact O-N 3.18Å; Q428-A432 PolarHBondContact O-N 2.68Å; Q428-L762 HydrophobicContact CG-CD1 3.66Å; Q428-L762 HydrophobicContact CG-CD2 3.94Å; Q428-L762 HydrophobicContact CG-CG 4.48Å
429N82.4Confident79.8Confident96 Ų9672 Ų7251%0.51336%0.356SS..Hα-helixtrans-71.1-38.9177.6-68.8-30.3000112.4K425 H426 L427 K433K425-N429 PolarHBondContact O-N 2.77Å; K425-N429 PolarHBondContact O-ND2 3.42Å; K425-N429 VanDerWaalsContact O-ND2 3.15Å; H426-N429 WeakPolarHBondContact O-CB 3.15Å; H426-N429 PolarHBondContact O-N 3.46Å; H426-N429 VanDerWaalsContact O-N 3.09Å; L427-N429 VanDerWaalsContact C-N 3.31Å; L427-N429 PolarHBondContact O-N 3.33Å; N429-K433 WeakPolarHBondContact O-CG 3.4Å; N429-K433 PolarHBondContact O-N 2.84Å; N429-K433 VanDerWaalsContact O-N 3.17Å
430E79.6Confident79.2Confident62 Ų6275.6 Ų75.629%0.2937%0.37SS..Hα-helixtrans-68.8-43.1-179.7-170.4167.1-165.400111.4H426 L427 A432 K433 Q434H426-E430 IonicContact CE1-OE2 3.11Å; H426-E430 PolarHBondContact CE1-OE2 2.92Å; H426-E430 IonicContact ND1-OE2 2.66Å; H426-E430 PolarHBondContact ND1-OE2 3.34Å; H426-E430 VanDerWaalsContact ND1-OE2 3.09Å; H426-E430 WeakPolarHBondContact O-CB 3.44Å; H426-E430 PolarHBondContact O-N 2.87Å; L427-E430 PolarHBondContact O-N 2.81Å; E430-A432 VanDerWaalsContact C-N 3.33Å; E430-A432 PolarHBondContact O-N 3.39Å; E430-K433 WeakPolarHBondContact O-CB 3.45Å; E430-K433 PolarHBondContact O-N 3.26Å; E430-K433 VanDerWaalsContact O-N 3.11Å; E430-Q434 HydrophobicContact CG-CG 4.47Å; E430-Q434 WeakPolarHBondContact O-CG 3.33Å; E430-Q434 PolarHBondContact O-N 3.11Å
431L82.5Confident78.4Confident24 Ų2478.6 Ų78.613%0.12639%0.39CS..Hα-helixtrans-53.9-50.4172.6-175.774.5000110.8L427 K433 Q434 E435 L755 T758 K759 L762L427-L431 WeakPolarHBondContact O-CB 3.48Å; L427-L431 PolarHBondContact O-N 3.35Å; L431-K433 VanDerWaalsContact C-N 3.29Å; L431-K433 PolarHBondContact O-N 3.19Å; L431-Q434 PolarHBondContact O-N 3.11Å; L431-E435 WeakPolarHBondContact O-CG 3.43Å; L431-E435 PolarHBondContact O-N 2.84Å; L431-L755 HydrophobicContact CD1-CD2 3.83Å; L431-T758 WeakPolarHBondContact CD1-OG1 3.42Å; L431-K759 HydrophobicContact CD1-CB 4.42Å; L431-K759 HydrophobicContact CD1-CD 4.27Å; L431-K759 HydrophobicContact CD1-CG 3.36Å; L431-K759 HydrophobicContact CD2-CG 4.06Å; L431-K759 HydrophobicContact CG-CG 4.34Å; L431-L762 HydrophobicContact CD2-CD2 4.42Å
432A78.1Confident77.5Confident58 Ų5876.6 Ų76.648%0.47938%0.381SS..Hα-helixtrans-59.9-37.9178.500000112.7Q428 E430 A436Q428-A432 PolarHBondContact O-N 2.68Å; E430-A432 VanDerWaalsContact C-N 3.33Å; E430-A432 PolarHBondContact O-N 3.39Å; A432-A436 PolarHBondContact O-N 3.13Å
433K79.7Confident76.4Confident148 Ų14872 Ų7264%0.64337%0.366SS*.Hα-helixtrans-68.5-45.5175.6-73.2177-177.1178.70112.1N429 E430 L431 E435 A436 I437N429-K433 WeakPolarHBondContact O-CG 3.4Å; N429-K433 PolarHBondContact O-N 2.84Å; N429-K433 VanDerWaalsContact O-N 3.17Å; E430-K433 WeakPolarHBondContact O-CB 3.45Å; E430-K433 PolarHBondContact O-N 3.26Å; E430-K433 VanDerWaalsContact O-N 3.11Å; L431-K433 VanDerWaalsContact C-N 3.29Å; L431-K433 PolarHBondContact O-N 3.19Å; K433-E435 VanDerWaalsContact C-N 3.35Å; K433-A436 WeakPolarHBondContact O-CB 3.28Å; K433-A436 PolarHBondContact O-N 3.46Å; K433-I437 WeakPolarHBondContact O-CG1 2.99Å; K433-I437 PolarHBondContact O-N 3.23Å
434Q75.6Confident75.2Confident28 Ų2874.7 Ų74.713%0.13138%0.383CS..Hα-helixtrans-64.7-40.2-179.6-71.5-179.4-300111.2E430 L431 A436 I437 V438 D754 L755 T758E430-Q434 HydrophobicContact CG-CG 4.47Å; E430-Q434 WeakPolarHBondContact O-CG 3.33Å; E430-Q434 PolarHBondContact O-N 3.11Å; L431-Q434 PolarHBondContact O-N 3.11Å; Q434-A436 VanDerWaalsContact C-N 3.29Å; Q434-A436 PolarHBondContact O-N 3.49Å; Q434-I437 PolarHBondContact O-N 3.15Å; Q434-V438 WeakPolarHBondContact O-CG2 3.36Å; Q434-V438 PolarHBondContact O-N 3.36Å; Q434-D754 PolarHBondContact OE1-O 3.32Å; Q434-L755 HydrophobicContact CB-CD2 3.67Å; Q434-L755 HydrophobicContact CB-CG 3.92Å; Q434-T758 PolarHBondContact OE1-OG1 3.27Å
435E75.4Confident73.6Confident74 Ų7475.4 Ų75.435%0.34640%0.403SS..Hα-helixtrans-59.1-44174.4-73.7-173.5154.500110.1L431 K433 T439 L755 K759L431-E435 WeakPolarHBondContact O-CG 3.43Å; L431-E435 PolarHBondContact O-N 2.84Å; K433-E435 VanDerWaalsContact C-N 3.35Å; E435-T439 VanDerWaalsContact O-CB 3.31Å; E435-T439 WeakPolarHBondContact O-CB 3.16Å; E435-T439 PolarHBondContact O-N 3.13Å; E435-T439 PolarHBondContact O-OG1 2.87Å; E435-L755 HydrophobicContact CB-CD2 4.3Å; E435-L755 HydrophobicContact CG-CD1 4.36Å; E435-L755 HydrophobicContact CG-CD2 3.4Å; E435-L755 VanDerWaalsContact CG-CD2 3.4Å; E435-K759 WeakPolarHBondContact OE1-CE 3.35Å; E435-K759 IonicContact OE1-NZ 3Å; E435-K759 PolarHBondContact OE1-NZ 3.07Å
436A73.8Confident72.2Confident60 Ų6070 Ų7050%0.49638%0.383SS..Hα-helixtrans-64.1-42.3176.400000113.3A432 K433 Q434 T439 K440A432-A436 PolarHBondContact O-N 3.13Å; K433-A436 WeakPolarHBondContact O-CB 3.28Å; K433-A436 PolarHBondContact O-N 3.46Å; Q434-A436 VanDerWaalsContact C-N 3.29Å; Q434-A436 PolarHBondContact O-N 3.49Å; A436-T439 PolarHBondContact O-N 3.42Å; A436-K440 WeakPolarHBondContact O-CB 3.48Å; A436-K440 PolarHBondContact O-N 2.86Å
437I73Confident70.7Confident83 Ų8369 Ų6943%0.42638%0.38SS..Hα-helixtrans-62.7-52.3178.1-69165.7000110.1K433 Q434 T439 K440 T441K433-I437 WeakPolarHBondContact O-CG1 2.99Å; K433-I437 PolarHBondContact O-N 3.23Å; Q434-I437 PolarHBondContact O-N 3.15Å; I437-T439 PolarHBondContact O-N 2.85Å; I437-K440 PolarHBondContact O-N 3.27Å; I437-T441 PolarHBondContact O-N 3.44Å; I437-T441 PolarHBondContact O-OG1 2.71Å
438V69.3Low69.4Low4 Ų476 Ų762%0.02442%0.417CS..Hα-helixtrans-58.3-41.4-179.5169.80000111.3Q434 K440 F442 I447 L751 L755Q434-V438 WeakPolarHBondContact O-CG2 3.36Å; Q434-V438 PolarHBondContact O-N 3.36Å; V438-K440 VanDerWaalsContact C-N 3.32Å; V438-K440 PolarHBondContact O-N 3.34Å; V438-F442 HydrophobicContact CG1-CD2 4.31Å; V438-F442 PolarHBondContact O-N 2.98Å; V438-F442 VanDerWaalsContact O-N 3.12Å; V438-I447 HydrophobicContact CG1-CG1 4.27Å; V438-L751 HydrophobicContact CG2-CB 3.87Å; V438-L755 HydrophobicContact CB-CD1 3.86Å; V438-L755 HydrophobicContact CG1-CD1 4.18Å; V438-L755 HydrophobicContact CG2-CD1 3.57Å; V438-L755 HydrophobicContact CG2-CG 4.41Å
439T67.5Low68Low32 Ų3273.5 Ų73.520%0.19642%0.415CS..Hα-helixtrans-62.5-38.3176.7-53.10000112.3E435 A436 I437 G443 H444E435-T439 VanDerWaalsContact O-CB 3.31Å; E435-T439 WeakPolarHBondContact O-CB 3.16Å; E435-T439 PolarHBondContact O-N 3.13Å; E435-T439 PolarHBondContact O-OG1 2.87Å; A436-T439 PolarHBondContact O-N 3.42Å; I437-T439 PolarHBondContact O-N 2.85Å; T439-G443 VanDerWaalsContact O-CA 3.29Å; T439-G443 WeakPolarHBondContact O-CA 3.29Å; T439-G443 PolarHBondContact O-N 3.43Å; T439-G443 VanDerWaalsContact O-N 3.16Å; T439-H444 WeakPolarHBondContact CG2-CE1 3.31Å; T439-H444 WeakPolarHBondContact CG2-ND1 3.48Å
440K69.3Low66.8Low191 Ų19173.9 Ų73.983%0.8341%0.414SS*.Hα-helixtrans-77.3-39.6-178.7-164.5179.4-174.9-178.30112.9A436 I437 V438A436-K440 WeakPolarHBondContact O-CB 3.48Å; A436-K440 PolarHBondContact O-N 2.86Å; I437-K440 PolarHBondContact O-N 3.27Å; V438-K440 VanDerWaalsContact C-N 3.32Å; V438-K440 PolarHBondContact O-N 3.34Å
441T67.8Low66.2Low89 Ų8971.6 Ų71.655%0.54641%0.405SS..Hα-helixtrans-81.3-32.4-174.2-40.80000112.6I437I437-T441 PolarHBondContact O-N 3.44Å; I437-T441 PolarHBondContact O-OG1 2.71Å
442F65.9Low65.8Low60 Ų6079.4 Ų79.426%0.26344%0.438SS..Hα-helixtrans-119.3-3.8-173.5-54.2-71.9000114.5V438 S446 K748 L751V438-F442 HydrophobicContact CG1-CD2 4.31Å; V438-F442 PolarHBondContact O-N 2.98Å; V438-F442 VanDerWaalsContact O-N 3.12Å; F442-S446 VanDerWaalsContact CB-CB 3.43Å; F442-S446 WeakPolarHBondContact O-CB 3.36Å; F442-S446 PolarHBondContact O-OG 3.32Å; F442-K748 HydrophobicContact CD1-CB 4.44Å; F442-K748 HydrophobicContact CD1-CD 4.02Å; F442-K748 HydrophobicContact CD1-CG 3.97Å; F442-K748 HydrophobicContact CD2-CG 4.34Å; F442-K748 HydrophobicContact CE1-CB 3.73Å; F442-K748 HydrophobicContact CE1-CD 4.12Å; F442-K748 HydrophobicContact CE1-CG 3.76Å; F442-K748 HydrophobicContact CE2-CB 4.33Å; F442-K748 HydrophobicContact CE2-CG 4.14Å; F442-K748 HydrophobicContact CG-CG 4.26Å; F442-K748 HydrophobicContact CZ-CB 3.67Å; F442-K748 HydrophobicContact CZ-CG 3.85Å; F442-L751 HydrophobicContact CE2-CD1 3.78Å; F442-L751 HydrophobicContact CZ-CD1 4.16Å
443G58.9Low65.7Low31 Ų3180.1 Ų80.132%0.3243%0.431SS..  trans78.8158.2-178.400000113.9T439 G445 S446T439-G443 VanDerWaalsContact O-CA 3.29Å; T439-G443 WeakPolarHBondContact O-CA 3.29Å; T439-G443 PolarHBondContact O-N 3.43Å; T439-G443 VanDerWaalsContact O-N 3.16Å; G443-G445 VanDerWaalsContact C-N 3.26Å; G443-G445 PolarHBondContact O-N 3.28Å; G443-S446 PolarHBondContact O-N 3.41Å
444H58.2Low65.4Low156 Ų15674.9 Ų74.972%0.72241%0.409SS*.G310 helixtrans-57.9-33.6-173.3-74.127.1000113.6T439 S446T439-H444 WeakPolarHBondContact CG2-CE1 3.31Å; T439-H444 WeakPolarHBondContact CG2-ND1 3.48Å; H444-S446 VanDerWaalsContact C-N 3.32Å; H444-S446 PolarHBondContact O-N 3.16Å
445G53.1Low65.6Low62 Ų6276.8 Ų76.864%0.63942%0.419SS*.G310 helixtrans-71.8-20.6178.900000114.6G443 I447 N448 G449G443-G445 VanDerWaalsContact C-N 3.26Å; G443-G445 PolarHBondContact O-N 3.28Å; G445-I447 VanDerWaalsContact C-N 3.28Å; G445-I447 PolarHBondContact O-N 3.2Å; G445-N448 PolarHBondContact O-N 3.13Å; G445-G449 PolarHBondContact O-N 3.2Å; G445-G449 VanDerWaalsContact O-N 3.11Å
446S53Low66Low28 Ų2878.8 Ų78.820%0.19643%0.427CS..G310 helixtrans-78.6-6-177.8-78.50000114.3F442 G443 H444 N448 R752F442-S446 VanDerWaalsContact CB-CB 3.43Å; F442-S446 WeakPolarHBondContact O-CB 3.36Å; F442-S446 PolarHBondContact O-OG 3.32Å; G443-S446 PolarHBondContact O-N 3.41Å; H444-S446 VanDerWaalsContact C-N 3.32Å; H444-S446 PolarHBondContact O-N 3.16Å; S446-N448 VanDerWaalsContact C-N 3.32Å; S446-R752 PolarHBondContact O-NE 2.91Å; S446-R752 PolarHBondContact O-NH2 2.94Å
447I55Low66.5Low77 Ų7778.5 Ų78.540%0.39542%0.415SS..G310 helixtrans-75-27.6174.4-59.6173.2000110.5V438 G445 R752V438-I447 HydrophobicContact CG1-CG1 4.27Å; G445-I447 VanDerWaalsContact C-N 3.28Å; G445-I447 PolarHBondContact O-N 3.2Å; I447-R752 PolarHBondContact O-NH2 3.39Å
448N56Low67.1Low146 Ų14679.6 Ų79.678%0.78142%0.417SS*.THydrogen-bonded Turntrans-115.2-16.7-179.1-65.3-11.2000114.7G445 S446G445-N448 PolarHBondContact O-N 3.13Å; S446-N448 VanDerWaalsContact C-N 3.32Å
449G53.2Low68Low35 Ų3585.3 Ų85.336%0.36144%0.443SS..SBendtrans-72.2136.1178.500000113.1G445 R752G445-G449 PolarHBondContact O-N 3.2Å; G445-G449 VanDerWaalsContact O-N 3.11Å; G449-R752 PolarHBondContact O-NH1 3.4Å; G449-R752 PolarHBondContact O-NH2 3.31Å
450E58.6Low69.1Low104 Ų10484.6 Ų84.649%0.48644%0.438SS..PPolyproline II helixtrans-77.2133.7179-63.8-176.5170.800111.3E454 I455 K458E450-E454 VanDerWaalsContact CA-OE2 3.24Å; E450-E454 WeakPolarHBondContact CA-OE2 3.37Å; E450-I455 HydrophobicContact CB-CD1 4.39Å; E450-I455 HydrophobicContact CB-CG1 3.97Å; E450-K458 IonicContact OE1-NZ 2.73Å; E450-K458 PolarHBondContact OE1-NZ 2.9Å; E450-K458 IonicContact OE2-NZ 2.88Å
451S67.4Low70.1Confident14 Ų1478.5 Ų78.510%0.09842%0.417CS..PPolyproline II helixtrans-77159.6173.667.90000111.6E453 E454 I455S451-E453 PolarHBondContact O-N 3.22Å; S451-E454 PolarHBondContact N-OE2 3.27Å; S451-E454 PolarHBondContact O-N 3.23Å; S451-E454 VanDerWaalsContact O-N 3.16Å; S451-E454 WeakPolarHBondContact OG-CB 3.49Å; S451-E454 WeakPolarHBondContact OG-CG 3.47Å; S451-E454 PolarHBondContact OG-N 3.35Å; S451-E454 VanDerWaalsContact OG-N 3.08Å; S451-I455 WeakPolarHBondContact O-CG1 3.46Å; S451-I455 PolarHBondContact O-N 2.81Å
452K73.3Confident71.2Confident187 Ų18778.1 Ų78.181%0.81342%0.415SS*.Hα-helixtrans-57.1-36.7173.8-98.5-174176.3-1790111.5K456K452-K456 WeakPolarHBondContact O-CB 3.44Å; K452-K456 PolarHBondContact O-N 2.63Å; K452-K456 VanDerWaalsContact O-N 3.12Å
453E75.5Confident72.5Confident74 Ų7479.3 Ų79.335%0.34642%0.421SS..Hα-helixtrans-71.1-38.8176.7-5897.2176.600112.4S451 K456 Q457 L739 M743S451-E453 PolarHBondContact O-N 3.22Å; E453-K456 PolarHBondContact O-N 3.12Å; E453-Q457 PolarHBondContact O-N 3.3Å; E453-L739 HydrophobicContact CB-CD1 4.36Å; E453-M743 HydrophobicContact CB-CE 4.3Å; E453-M743 HydrophobicContact CB-CG 3.56Å; E453-M743 HydrophobicContact CB-SD 3.81Å; E453-M743 HydrophobicContact CG-CG 4.27Å
454E74Confident74.1Confident37 Ų3778.9 Ų78.917%0.17341%0.411CS..Hα-helixtrans-63.7-41.5175.1-75.4161-163.100112.1E450 S451 K456 Q457 K458 M743 R752E450-E454 VanDerWaalsContact CA-OE2 3.24Å; E450-E454 WeakPolarHBondContact CA-OE2 3.37Å; S451-E454 PolarHBondContact N-OE2 3.27Å; S451-E454 PolarHBondContact O-N 3.23Å; S451-E454 VanDerWaalsContact O-N 3.16Å; S451-E454 WeakPolarHBondContact OG-CB 3.49Å; S451-E454 WeakPolarHBondContact OG-CG 3.47Å; S451-E454 PolarHBondContact OG-N 3.35Å; S451-E454 VanDerWaalsContact OG-N 3.08Å; E454-K456 VanDerWaalsContact C-N 3.33Å; E454-Q457 WeakPolarHBondContact O-CB 3.47Å; E454-Q457 PolarHBondContact O-N 3.42Å; E454-K458 PolarHBondContact O-N 2.89Å; E454-M743 HydrophobicContact CB-CE 4.35Å; E454-M743 HydrophobicContact CG-CE 3.68Å; E454-R752 IonicContact OE1-NH1 3.69Å; E454-R752 PolarHBondContact OE1-NH1 2.72Å; E454-R752 IonicContact OE2-NH1 3.99Å; E454-R752 PolarHBondContact OE2-NH1 3.18Å
455I79.7Confident75.7Confident68 Ų6875.3 Ų75.335%0.34940%0.397SS..Hα-helixtrans-60.9-46.4173.9-66167.9000109.7E450 S451 Q457 K458 E459E450-I455 HydrophobicContact CB-CD1 4.39Å; E450-I455 HydrophobicContact CB-CG1 3.97Å; S451-I455 WeakPolarHBondContact O-CG1 3.46Å; S451-I455 PolarHBondContact O-N 2.81Å; I455-Q457 VanDerWaalsContact C-N 3.31Å; I455-Q457 PolarHBondContact O-N 2.9Å; I455-K458 WeakPolarHBondContact O-CB 3.29Å; I455-K458 PolarHBondContact O-N 3.34Å; I455-E459 HydrophobicContact CG2-CG 4.45Å; I455-E459 WeakPolarHBondContact O-CG 3.28Å; I455-E459 PolarHBondContact O-N 3.45Å
456K83.6Confident77.6Confident116 Ų11676.9 Ų76.950%0.50439%0.388SS..Hα-helixtrans-64.6-34.5178.5-161.9173.2-174.1-178.80112.4K452 E453 E454 E459 L460 L739K452-K456 WeakPolarHBondContact O-CB 3.44Å; K452-K456 PolarHBondContact O-N 2.63Å; K452-K456 VanDerWaalsContact O-N 3.12Å; E453-K456 PolarHBondContact O-N 3.12Å; E454-K456 VanDerWaalsContact C-N 3.33Å; K456-E459 PolarHBondContact O-N 2.97Å; K456-L460 HydrophobicContact CG-CD1 4.16Å; K456-L460 WeakPolarHBondContact O-CB 3.43Å; K456-L460 WeakPolarHBondContact O-CD1 3.42Å; K456-L460 PolarHBondContact O-N 3.26Å; K456-L739 HydrophobicContact CB-CD2 4.09Å; K456-L739 HydrophobicContact CD-CD1 4.5Å; K456-L739 HydrophobicContact CG-CD2 4.21Å
457Q85.2Confident79.5Confident54 Ų5476.1 Ų76.125%0.25238%0.381SS..Hα-helixtrans-63.1-46.8173.1-167.6-170.58.900110.5E453 E454 I455 L460 T461 L736 L739 E740 M743E453-Q457 PolarHBondContact O-N 3.3Å; E454-Q457 WeakPolarHBondContact O-CB 3.47Å; E454-Q457 PolarHBondContact O-N 3.42Å; I455-Q457 VanDerWaalsContact C-N 3.31Å; I455-Q457 PolarHBondContact O-N 2.9Å; Q457-L460 PolarHBondContact O-N 3.08Å; Q457-T461 WeakPolarHBondContact O-CG2 3.44Å; Q457-T461 PolarHBondContact O-N 2.96Å; Q457-T461 PolarHBondContact O-OG1 3.44Å; Q457-L736 HydrophobicContact CB-CD1 4.49Å; Q457-L736 HydrophobicContact CG-CD1 3.54Å; Q457-L739 HydrophobicContact CB-CD2 3.97Å; Q457-E740 PolarHBondContact NE2-OE1 2.92Å; Q457-M743 HydrophobicContact CB-CE 4.45Å; Q457-M743 HydrophobicContact CB-SD 4.21Å
458K85.2Confident81.3Confident107 Ų10774.6 Ų74.647%0.46538%0.376SS..Hα-helixtrans-60.7-46.7175.4-74.6-176.5177.8-175.70111.8E450 E454 I455 L460 T461 V462E450-K458 IonicContact OE1-NZ 2.73Å; E450-K458 PolarHBondContact OE1-NZ 2.9Å; E450-K458 IonicContact OE2-NZ 2.88Å; E454-K458 PolarHBondContact O-N 2.89Å; I455-K458 WeakPolarHBondContact O-CB 3.29Å; I455-K458 PolarHBondContact O-N 3.34Å; K458-L460 VanDerWaalsContact C-N 3.31Å; K458-L460 PolarHBondContact O-N 3.16Å; K458-T461 VanDerWaalsContact CA-OG1 3.29Å; K458-T461 WeakPolarHBondContact CA-OG1 3.33Å; K458-T461 PolarHBondContact O-N 3.05Å; K458-T461 VanDerWaalsContact O-N 3.17Å; K458-T461 PolarHBondContact O-OG1 2.8Å; K458-V462 WeakPolarHBondContact O-CG2 3.13Å; K458-V462 PolarHBondContact O-N 3.08Å
459E88.5Confident83Confident123 Ų12373 Ų7358%0.57536%0.362SS*.Hα-helixtrans-56.1-45.4175.3-73.1173.6173.200111.7I455 K456 V462 H463I455-E459 HydrophobicContact CG2-CG 4.45Å; I455-E459 WeakPolarHBondContact O-CG 3.28Å; I455-E459 PolarHBondContact O-N 3.45Å; K456-E459 PolarHBondContact O-N 2.97Å; E459-V462 PolarHBondContact O-N 3.19Å; E459-H463 WeakPolarHBondContact O-CB 3.44Å; E459-H463 PolarHBondContact O-N 2.83Å
460L90.9Very high84.9Confident17 Ų1776.9 Ų76.99%0.08937%0.369CS..Hα-helixtrans-64.6-41.8175.6-101.9117.3000112.7K456 Q457 K458 V462 H463 I464 A732 Q735 L736 L739K456-L460 HydrophobicContact CG-CD1 4.16Å; K456-L460 WeakPolarHBondContact O-CB 3.43Å; K456-L460 WeakPolarHBondContact O-CD1 3.42Å; K456-L460 PolarHBondContact O-N 3.26Å; Q457-L460 PolarHBondContact O-N 3.08Å; K458-L460 VanDerWaalsContact C-N 3.31Å; K458-L460 PolarHBondContact O-N 3.16Å; L460-V462 VanDerWaalsContact C-N 3.34Å; L460-V462 PolarHBondContact O-N 2.94Å; L460-H463 PolarHBondContact O-N 3.26Å; L460-I464 VanDerWaalsContact O-CG1 3.27Å; L460-I464 WeakPolarHBondContact O-CG1 3.29Å; L460-I464 PolarHBondContact O-N 3.42Å; L460-A732 WeakPolarHBondContact CD2-O 3.47Å; L460-Q735 HydrophobicContact CD2-CB 3.6Å; L460-L736 HydrophobicContact CB-CD1 4.1Å; L460-L736 HydrophobicContact CD2-CB 4Å; L460-L739 HydrophobicContact CD1-CD2 4.3Å
461T89.8Confident86.6Confident63 Ų6372.7 Ų72.739%0.38735%0.35SS..Hα-helixtrans-64.1-39.3176.652.20000112.3Q457 K458 I464 D465 L736Q457-T461 WeakPolarHBondContact O-CG2 3.44Å; Q457-T461 PolarHBondContact O-N 2.96Å; Q457-T461 PolarHBondContact O-OG1 3.44Å; K458-T461 VanDerWaalsContact CA-OG1 3.29Å; K458-T461 WeakPolarHBondContact CA-OG1 3.33Å; K458-T461 PolarHBondContact O-N 3.05Å; K458-T461 VanDerWaalsContact O-N 3.17Å; K458-T461 PolarHBondContact O-OG1 2.8Å; T461-I464 PolarHBondContact O-N 3.38Å; T461-D465 PolarHBondContact O-N 2.89Å; T461-L736 HydrophobicContact CG2-CD1 4.16Å; T461-L736 HydrophobicContact CG2-CD2 3.96Å
462V90.6Very high87.7Confident82 Ų8275.6 Ų75.650%0.49737%0.367SS..Hα-helixtrans-64.2-43.7173172.50000110.2K458 E459 L460 I464 D465 E466K458-V462 WeakPolarHBondContact O-CG2 3.13Å; K458-V462 PolarHBondContact O-N 3.08Å; E459-V462 PolarHBondContact O-N 3.19Å; L460-V462 VanDerWaalsContact C-N 3.34Å; L460-V462 PolarHBondContact O-N 2.94Å; V462-I464 PolarHBondContact O-N 3.17Å; V462-D465 PolarHBondContact O-N 3.45Å; V462-D465 VanDerWaalsContact O-N 3.16Å; V462-E466 HydrophobicContact CG1-CG 4.49Å; V462-E466 WeakPolarHBondContact O-CG 3.38Å; V462-E466 PolarHBondContact O-N 3.32Å
463H92.3Very high88.5Confident84 Ų8475.3 Ų75.339%0.38936%0.361SS..Hα-helixtrans-62.6-40.2177.6-169.653.9000112.7E459 L460 D465 E466 L467E459-H463 WeakPolarHBondContact O-CB 3.44Å; E459-H463 PolarHBondContact O-N 2.83Å; L460-H463 PolarHBondContact O-N 3.26Å; H463-D465 VanDerWaalsContact C-N 3.35Å; H463-E466 IonicContact ND1-OE2 3.79Å; H463-E466 PolarHBondContact O-N 3.1Å; H463-L467 WeakPolarHBondContact O-CB 3.42Å; H463-L467 WeakPolarHBondContact O-CG 3.48Å; H463-L467 PolarHBondContact O-N 2.94Å
464I93.6Very high89.3Confident22 Ų2272.9 Ų72.911%0.11335%0.353CS..Hα-helixtrans-61.8-43.8173.4-71.2165000110.2L460 T461 V462 L467 T468 L729 A732 R733 L736L460-I464 VanDerWaalsContact O-CG1 3.27Å; L460-I464 WeakPolarHBondContact O-CG1 3.29Å; L460-I464 PolarHBondContact O-N 3.42Å; T461-I464 PolarHBondContact O-N 3.38Å; V462-I464 PolarHBondContact O-N 3.17Å; I464-L467 PolarHBondContact O-N 2.85Å; I464-T468 WeakPolarHBondContact O-CB 3.33Å; I464-T468 PolarHBondContact O-N 2.59Å; I464-T468 PolarHBondContact O-OG1 3.11Å; I464-L729 HydrophobicContact CG2-CD1 4.07Å; I464-A732 HydrophobicContact CD1-CB 4.44Å; I464-A732 HydrophobicContact CG1-CB 3.71Å; I464-R733 HydrophobicContact CD1-CG 4.06Å; I464-R733 HydrophobicContact CG1-CG 4.41Å; I464-R733 HydrophobicContact CG2-CG 4.45Å; I464-L736 HydrophobicContact CD1-CB 4.11Å; I464-L736 HydrophobicContact CD1-CD2 3.71Å
465D91.2Very high90.1Very high81 Ų8173 Ų7343%0.43335%0.354SS..Hα-helixtrans-65.5-39.5178.5-162.544.2000111.8T461 V462 H463 T468 K469T461-D465 PolarHBondContact O-N 2.89Å; V462-D465 PolarHBondContact O-N 3.45Å; V462-D465 VanDerWaalsContact O-N 3.16Å; H463-D465 VanDerWaalsContact C-N 3.35Å; D465-T468 PolarHBondContact O-N 2.94Å; D465-K469 WeakPolarHBondContact O-CG 3.13Å; D465-K469 PolarHBondContact O-N 3.08Å; D465-K469 VanDerWaalsContact OD2-CE 3.31Å; D465-K469 WeakPolarHBondContact OD2-CE 3.37Å; D465-K469 IonicContact OD2-NZ 3.39Å; D465-K469 PolarHBondContact OD2-NZ 3.4Å
466E92.6Very high90.4Very high96 Ų9672.2 Ų72.245%0.44936%0.357SS..Hα-helixtrans-62.4-46.3172.7-73.5-179.1172.900112.8V462 H463 T468 K469 K470V462-E466 HydrophobicContact CG1-CG 4.49Å; V462-E466 WeakPolarHBondContact O-CG 3.38Å; V462-E466 PolarHBondContact O-N 3.32Å; H463-E466 IonicContact ND1-OE2 3.79Å; H463-E466 PolarHBondContact O-N 3.1Å; E466-T468 VanDerWaalsContact C-N 3.31Å; E466-T468 PolarHBondContact O-N 3.07Å; E466-K469 PolarHBondContact O-N 3.44Å; E466-K470 WeakPolarHBondContact O-CG 3.48Å; E466-K470 PolarHBondContact O-N 2.85Å
467L94.2Very high90.6Very high11 Ų1171.5 Ų71.56%0.05836%0.359CS..Hα-helixtrans-62.8-40.1175.9-74.9172.8000111.1H463 I464 K469 K470 L471 L725 A728 L729 A732H463-L467 WeakPolarHBondContact O-CB 3.42Å; H463-L467 WeakPolarHBondContact O-CG 3.48Å; H463-L467 PolarHBondContact O-N 2.94Å; I464-L467 PolarHBondContact O-N 2.85Å; L467-K469 VanDerWaalsContact C-N 3.35Å; L467-K469 PolarHBondContact O-N 3.06Å; L467-K470 PolarHBondContact O-N 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 PolarHBondContact O-N 3.33Å; L467-L725 HydrophobicContact CD2-CD2 4.06Å; L467-A728 HydrophobicContact CD1-CB 4.27Å; L467-A728 HydrophobicContact CD2-CB 4.26Å; L467-L729 HydrophobicContact CB-CD1 3.68Å; L467-A732 HydrophobicContact CD1-CB 4.07Å
468T92.6Very high90.8Very high45 Ų4570 Ų7028%0.27635%0.352SS..Hα-helixtrans-62.7-41.9176.6-51.80000110.9I464 D465 E466 L471 T472 L729I464-T468 WeakPolarHBondContact O-CB 3.33Å; I464-T468 PolarHBondContact O-N 2.59Å; I464-T468 PolarHBondContact O-OG1 3.11Å; D465-T468 PolarHBondContact O-N 2.94Å; E466-T468 VanDerWaalsContact C-N 3.31Å; E466-T468 PolarHBondContact O-N 3.07Å; T468-L471 PolarHBondContact O-N 3.28Å; T468-T472 WeakPolarHBondContact O-CB 3.38Å; T468-T472 WeakPolarHBondContact O-CG2 3.3Å; T468-T472 PolarHBondContact O-N 3.18Å; T468-T472 PolarHBondContact O-OG1 2.89Å; T468-L729 WeakPolarHBondContact OG1-CD1 3.05Å
469K92.1Very high90.8Very high112 Ų11274 Ų7449%0.48737%0.365SS..Hα-helixtrans-66.2-39.4174.4-74.3171-169.6156.30112.9D465 E466 L467 T472 R473D465-K469 WeakPolarHBondContact O-CG 3.13Å; D465-K469 PolarHBondContact O-N 3.08Å; D465-K469 VanDerWaalsContact OD2-CE 3.31Å; D465-K469 WeakPolarHBondContact OD2-CE 3.37Å; D465-K469 IonicContact OD2-NZ 3.39Å; D465-K469 PolarHBondContact OD2-NZ 3.4Å; E466-K469 PolarHBondContact O-N 3.44Å; L467-K469 VanDerWaalsContact C-N 3.35Å; L467-K469 PolarHBondContact O-N 3.06Å; K469-T472 VanDerWaalsContact CA-OG1 3.31Å; K469-T472 WeakPolarHBondContact CA-OG1 3.45Å; K469-T472 PolarHBondContact O-OG1 3.14Å; K469-R473 WeakPolarHBondContact O-CG 3.46Å; K469-R473 PolarHBondContact O-N 3.36Å; K469-R473 VanDerWaalsContact O-N 3.14Å
470K93.2Very high90.5Very high117 Ų11772.3 Ų72.351%0.50937%0.372SS..Hα-helixtrans-65.9-43.8175.3-74.5176.2-178172.80111.6E466 L467 R473 A474 L725E466-K470 WeakPolarHBondContact O-CG 3.48Å; E466-K470 PolarHBondContact O-N 2.85Å; L467-K470 PolarHBondContact O-N 3.28Å; K470-R473 PolarHBondContact O-N 3.46Å; K470-A474 WeakPolarHBondContact O-CB 3.13Å; K470-A474 PolarHBondContact O-N 3.16Å; K470-L725 HydrophobicContact CB-CD1 4.38Å; K470-L725 HydrophobicContact CB-CD2 4.09Å
471L93.3Very high90.2Very high17 Ų1776 Ų769%0.08940%0.395CS..Hα-helixtrans-63-48.7178.4-179.864.5000111.3L467 T468 R473 A474 E475 I722 L725 R726 L729L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 PolarHBondContact O-N 3.33Å; T468-L471 PolarHBondContact O-N 3.28Å; L471-R473 VanDerWaalsContact C-N 3.32Å; L471-R473 PolarHBondContact O-N 3.47Å; L471-A474 PolarHBondContact O-N 3.01Å; L471-E475 HydrophobicContact CD1-CG 4.26Å; L471-E475 HydrophobicContact CG-CG 4.47Å; L471-E475 WeakPolarHBondContact O-CG 3.35Å; L471-E475 PolarHBondContact O-N 3.32Å; L471-I722 HydrophobicContact CD1-CG2 3.94Å; L471-L725 HydrophobicContact CB-CB 4.4Å; L471-L725 HydrophobicContact CD1-CB 3.92Å; L471-R726 HydrophobicContact CD1-CG 3.77Å; L471-R726 HydrophobicContact CD2-CG 3.85Å; L471-R726 HydrophobicContact CG-CG 4.49Å; L471-L729 HydrophobicContact CD2-CD2 4.33Å
472T90.8Very high89.9Confident74 Ų7473.7 Ų73.745%0.45438%0.383SS..Hα-helixtrans-61.2-38.3178.743.50000112.7T468 K469 A476T468-T472 WeakPolarHBondContact O-CB 3.38Å; T468-T472 WeakPolarHBondContact O-CG2 3.3Å; T468-T472 PolarHBondContact O-N 3.18Å; T468-T472 PolarHBondContact O-OG1 2.89Å; K469-T472 VanDerWaalsContact CA-OG1 3.31Å; K469-T472 WeakPolarHBondContact CA-OG1 3.45Å; K469-T472 PolarHBondContact O-OG1 3.14Å; T472-A476 WeakPolarHBondContact O-CB 3.24Å; T472-A476 PolarHBondContact O-N 3.33Å
473R91Very high89.7Confident182 Ų18271.7 Ų71.769%0.68737%0.373SS*.Hα-helixtrans-63.8-49171.5-74.9179.2-177.4-1790.9112K469 K470 L471 E475 A476 D477K469-R473 WeakPolarHBondContact O-CG 3.46Å; K469-R473 PolarHBondContact O-N 3.36Å; K469-R473 VanDerWaalsContact O-N 3.14Å; K470-R473 PolarHBondContact O-N 3.46Å; L471-R473 VanDerWaalsContact C-N 3.32Å; L471-R473 PolarHBondContact O-N 3.47Å; R473-E475 VanDerWaalsContact C-N 3.31Å; R473-E475 PolarHBondContact O-N 3.15Å; R473-A476 WeakPolarHBondContact O-CB 3.47Å; R473-A476 PolarHBondContact O-N 3.37Å; R473-A476 VanDerWaalsContact O-N 3.1Å; R473-D477 PolarHBondContact O-N 2.98Å
474A90.9Very high89.4Confident22 Ų2270.7 Ų70.718%0.18237%0.368CS..Hα-helixtrans-60.1-39.8179.600000112.5K470 L471 D478 I722 L725K470-A474 WeakPolarHBondContact O-CB 3.13Å; K470-A474 PolarHBondContact O-N 3.16Å; L471-A474 PolarHBondContact O-N 3.01Å; A474-D478 WeakPolarHBondContact O-CB 3.46Å; A474-D478 PolarHBondContact O-N 3.28Å; A474-I722 HydrophobicContact CB-CD1 4.49Å; A474-I722 HydrophobicContact CB-CG1 3.83Å; A474-L725 HydrophobicContact CB-CD1 4.08Å
475E90.6Very high89Confident41 Ų4173.7 Ų73.719%0.19239%0.391CS..Hα-helixtrans-70.3-28.6175.8-71.1-177.8164.800113.5L471 R473 R479 I722 R726L471-E475 HydrophobicContact CD1-CG 4.26Å; L471-E475 HydrophobicContact CG-CG 4.47Å; L471-E475 WeakPolarHBondContact O-CG 3.35Å; L471-E475 PolarHBondContact O-N 3.32Å; R473-E475 VanDerWaalsContact C-N 3.31Å; R473-E475 PolarHBondContact O-N 3.15Å; E475-R479 WeakPolarHBondContact O-CB 3.36Å; E475-R479 PolarHBondContact O-N 3.32Å; E475-R479 PolarHBondContact O-NE 2.8Å; E475-R479 IonicContact OE2-NH2 2.69Å; E475-I722 HydrophobicContact CG-CD1 4.4Å; E475-I722 HydrophobicContact CG-CG2 4.24Å; E475-R726 IonicContact OE1-CZ 3.03Å; E475-R726 IonicContact OE1-NE 3.31Å; E475-R726 PolarHBondContact OE1-NE 3.47Å; E475-R726 IonicContact OE1-NH2 2.75Å; E475-R726 PolarHBondContact OE1-NH2 3.45Å
476A87.2Confident88.8Confident50 Ų5072.8 Ų72.841%0.41339%0.389SS..Hα-helixtrans-74.6-44173.700000111.2T472 R473 D478 R479 A480T472-A476 WeakPolarHBondContact O-CB 3.24Å; T472-A476 PolarHBondContact O-N 3.33Å; R473-A476 WeakPolarHBondContact O-CB 3.47Å; R473-A476 PolarHBondContact O-N 3.37Å; R473-A476 VanDerWaalsContact O-N 3.1Å; A476-D478 VanDerWaalsContact C-N 3.32Å; A476-D478 PolarHBondContact O-N 3.08Å; A476-R479 PolarHBondContact O-N 2.8Å; A476-A480 WeakPolarHBondContact O-CB 3.48Å; A476-A480 PolarHBondContact O-N 3.02Å
477D87.1Confident88.7Confident101 Ų10169 Ų6954%0.5437%0.371SS..Hα-helixtrans-61.2-41.4175.6-68.8-18.3000111R473 A480 V481R473-D477 PolarHBondContact O-N 2.98Å; D477-A480 PolarHBondContact O-N 3.4Å; D477-V481 WeakPolarHBondContact O-CG2 3.32Å; D477-V481 PolarHBondContact O-N 3.28Å
478D89.4Confident88.4Confident22 Ų2271 Ų7112%0.11839%0.387CS..Hα-helixtrans-65.6-39176.1-162.161.2000112.3A474 A476 G482 S483 R718 I722A474-D478 WeakPolarHBondContact O-CB 3.46Å; A474-D478 PolarHBondContact O-N 3.28Å; A476-D478 VanDerWaalsContact C-N 3.32Å; A476-D478 PolarHBondContact O-N 3.08Å; D478-G482 CarbonylContact O-C 3.43Å; D478-G482 WeakPolarHBondContact O-CA 3.35Å; D478-G482 PolarHBondContact O-N 2.9Å; D478-S483 PolarHBondContact O-N 3.22Å; D478-R718 IonicContact OD1-CZ 3.02Å; D478-R718 IonicContact OD1-NE 3.95Å; D478-R718 PolarHBondContact OD1-NE 2.94Å; D478-R718 IonicContact OD1-NH2 2.7Å; D478-I722 HydrophobicContact CB-CD1 3.89Å
479R84.7Confident88.3Confident192 Ų19276 Ų7673%0.72541%0.407SS*.Hα-helixtrans-65.6-35.8173.3-87.8-178.6-99.4177.8-12113.3E475 A476E475-R479 WeakPolarHBondContact O-CB 3.36Å; E475-R479 PolarHBondContact O-N 3.32Å; E475-R479 PolarHBondContact O-NE 2.8Å; E475-R479 IonicContact OE2-NH2 2.69Å; A476-R479 PolarHBondContact O-N 2.8Å
480A83.7Confident88.1Confident87 Ų8776.2 Ų76.272%0.71941%0.41SS*.Hα-helixtrans-74.2-38.9-178.300000112.9A476 D477A476-A480 WeakPolarHBondContact O-CB 3.48Å; A476-A480 PolarHBondContact O-N 3.02Å; D477-A480 PolarHBondContact O-N 3.4Å
481V83.7Confident88.1Confident95 Ų9571.6 Ų71.658%0.57639%0.39SS*.Hα-helixtrans-87.4-23.3-179.1-176.70000112.1D477D477-V481 WeakPolarHBondContact O-CG2 3.32Å; D477-V481 PolarHBondContact O-N 3.28Å
482G84Confident87.9Confident14 Ų1476.9 Ų76.914%0.14442%0.417CS..  trans111133.3-176.300000111.2D478 L487 R718D478-G482 CarbonylContact O-C 3.43Å; D478-G482 WeakPolarHBondContact O-CA 3.35Å; D478-G482 PolarHBondContact O-N 2.9Å; G482-L487 WeakPolarHBondContact O-CD1 3.46Å; G482-R718 PolarHBondContact O-NH2 3.4Å; G482-R718 VanDerWaalsContact O-NH2 3.12Å
483S85Confident88Confident40 Ų4075.2 Ų75.228%0.2842%0.415SS..  trans-69.6161.1178640000111.4D478 S485 V486 L487D478-S483 PolarHBondContact O-N 3.22Å; S483-S485 PolarHBondContact O-N 3.26Å; S483-V486 PolarHBondContact O-N 3.06Å; S483-V486 VanDerWaalsContact O-N 3.16Å; S483-V486 WeakPolarHBondContact OG-CG2 3.45Å; S483-L487 PolarHBondContact O-N 2.65Å
484E86.6Confident88Confident63 Ų6368.9 Ų68.929%0.29440%0.395SS..Hα-helixtrans-51.9-42178.4-175.5-178.8172.700112.5S488 A715 Q716 S719E484-S488 WeakPolarHBondContact O-CB 3.47Å; E484-S488 PolarHBondContact O-N 2.95Å; E484-A715 HydrophobicContact CB-CB 4.28Å; E484-Q716 VanDerWaalsContact CD-CG 3.46Å; E484-Q716 HydrophobicContact CG-CG 4.11Å; E484-Q716 WeakPolarHBondContact OE1-CG 3.43Å; E484-Q716 PolarHBondContact OE1-NE2 3.24Å; E484-Q716 VanDerWaalsContact OE1-NE2 3.08Å; E484-S719 PolarHBondContact OE2-OG 3.42Å
485S85.5Confident88.2Confident85 Ų8571 Ų7159%0.59441%0.405SS*.Hα-helixtrans-66.6-42.7-178.878.40000112.4S483 S488 E489S483-S485 PolarHBondContact O-N 3.26Å; S485-S488 PolarHBondContact O-N 3.28Å; S485-E489 PolarHBondContact O-N 2.85Å
486V88Confident88.3Confident63 Ų6375.4 Ų75.438%0.38242%0.424SS..Hα-helixtrans-67.9-43.6-178.9175.30000110.3S483 S488 E489 Q490S483-V486 PolarHBondContact O-N 3.06Å; S483-V486 VanDerWaalsContact O-N 3.16Å; S483-V486 WeakPolarHBondContact OG-CG2 3.45Å; V486-S488 VanDerWaalsContact C-N 3.34Å; V486-E489 PolarHBondContact O-N 2.84Å; V486-Q490 WeakPolarHBondContact O-CG 3.44Å; V486-Q490 PolarHBondContact O-N 3.41Å
487L89.5Confident88.5Confident15 Ų1577.8 Ų77.88%0.07943%0.426CS..Hα-helixtrans-67.7-34.7176.9-68.6173000111.9G482 S483 Q491 V712 A715G482-L487 WeakPolarHBondContact O-CD1 3.46Å; S483-L487 PolarHBondContact O-N 2.65Å; L487-Q491 VanDerWaalsContact O-CB 3.32Å; L487-Q491 WeakPolarHBondContact O-CB 3.37Å; L487-Q491 PolarHBondContact O-N 3.14Å; L487-V712 HydrophobicContact CB-CG2 4.21Å; L487-A715 HydrophobicContact CD1-CB 3.68Å
488S88.4Confident88.8Confident55 Ų5573.2 Ų73.239%0.38540%0.403SS..Hα-helixtrans-67.2-39.1175.2-169.80000112.2E484 S485 V486 Q491 L492E484-S488 WeakPolarHBondContact O-CB 3.47Å; E484-S488 PolarHBondContact O-N 2.95Å; S485-S488 PolarHBondContact O-N 3.28Å; V486-S488 VanDerWaalsContact C-N 3.34Å; S488-Q491 WeakPolarHBondContact O-CB 3.36Å; S488-Q491 PolarHBondContact O-N 2.78Å; S488-L492 PolarHBondContact O-N 3.01Å
489E89.4Confident89Confident150 Ų15081.8 Ų81.870%0.70143%0.434SS*.Hα-helixtrans-66.8-44.6175.3-171.7172.8-165.300112S485 V486 Q491 L492 G493S485-E489 PolarHBondContact O-N 2.85Å; V486-E489 PolarHBondContact O-N 2.84Å; E489-Q491 VanDerWaalsContact C-N 3.28Å; E489-Q491 PolarHBondContact O-N 3Å; E489-L492 WeakPolarHBondContact O-CB 3.23Å; E489-L492 PolarHBondContact O-N 2.89Å; E489-L492 VanDerWaalsContact O-N 3.15Å; E489-G493 PolarHBondContact O-N 3.47Å; E489-G493 VanDerWaalsContact O-N 3.11Å
490Q88.3Confident89.4Confident116 Ų11677.4 Ų77.454%0.54242%0.421SS..Hα-helixtrans-58.8-41172.4-73.1178.4-400111.8V486 L492 G493 L494V486-Q490 WeakPolarHBondContact O-CG 3.44Å; V486-Q490 PolarHBondContact O-N 3.41Å; Q490-L492 VanDerWaalsContact C-N 3.3Å; Q490-L492 PolarHBondContact O-N 3.01Å; Q490-G493 PolarHBondContact O-N 2.94Å; Q490-L494 WeakPolarHBondContact O-CG 3.48Å; Q490-L494 PolarHBondContact O-N 3.33Å
491Q92.4Very high89.9Confident19 Ų1974.7 Ų74.79%0.08940%0.395CS..Hα-helixtrans-61.6-39.8176.5-177.361.210.400112L487 S488 E489 G493 L494 V495 V705 V712L487-Q491 VanDerWaalsContact O-CB 3.32Å; L487-Q491 WeakPolarHBondContact O-CB 3.37Å; L487-Q491 PolarHBondContact O-N 3.14Å; S488-Q491 WeakPolarHBondContact O-CB 3.36Å; S488-Q491 PolarHBondContact O-N 2.78Å; E489-Q491 VanDerWaalsContact C-N 3.28Å; E489-Q491 PolarHBondContact O-N 3Å; Q491-G493 VanDerWaalsContact C-N 3.29Å; Q491-G493 PolarHBondContact O-N 3Å; Q491-L494 PolarHBondContact O-N 3.28Å; Q491-V495 VanDerWaalsContact O-CG2 3.28Å; Q491-V495 WeakPolarHBondContact O-CG2 3.36Å; Q491-V495 PolarHBondContact O-N 2.7Å; Q491-V705 PolarHBondContact NE2-O 2.94Å; Q491-V705 PolarHBondContact OE1-O 2.85Å; Q491-V712 HydrophobicContact CB-CG2 3.97Å; Q491-V712 HydrophobicContact CG-CG2 4.33Å
492L90.6Very high90.5Very high128 Ų12873.9 Ų73.967%0.6738%0.381SS*.Hα-helixtrans-64.3-37177.3-141.7139.6000111.4S488 E489 Q490 K496S488-L492 PolarHBondContact O-N 3.01Å; E489-L492 WeakPolarHBondContact O-CB 3.23Å; E489-L492 PolarHBondContact O-N 2.89Å; E489-L492 VanDerWaalsContact O-N 3.15Å; Q490-L492 VanDerWaalsContact C-N 3.3Å; Q490-L492 PolarHBondContact O-N 3.01Å; L492-K496 PolarHBondContact O-N 3.44Å; L492-K496 VanDerWaalsContact O-N 3.13Å
493G91.9Very high90.9Very high40 Ų4079.3 Ų79.341%0.41240%0.403SS..Hα-helixtrans-62.1-49.9170.700000113.2E489 Q490 Q491 V495 K496 E497E489-G493 PolarHBondContact O-N 3.47Å; E489-G493 VanDerWaalsContact O-N 3.11Å; Q490-G493 PolarHBondContact O-N 2.94Å; Q491-G493 VanDerWaalsContact C-N 3.29Å; Q491-G493 PolarHBondContact O-N 3Å; G493-V495 VanDerWaalsContact C-N 3.33Å; G493-V495 PolarHBondContact O-N 3.41Å; G493-K496 WeakPolarHBondContact O-CB 3.44Å; G493-K496 PolarHBondContact O-N 3.24Å; G493-K496 VanDerWaalsContact O-N 3.14Å; G493-E497 PolarHBondContact O-N 3.27Å
494L92.3Very high91.2Very high48 Ų4882.1 Ų82.125%0.25141%0.411SS..Hα-helixtrans-59.4-42177.3-69173000112.1Q490 Q491 K496 E497 A498 N704 V705Q490-L494 WeakPolarHBondContact O-CG 3.48Å; Q490-L494 PolarHBondContact O-N 3.33Å; Q491-L494 PolarHBondContact O-N 3.28Å; L494-K496 VanDerWaalsContact C-N 3.31Å; L494-K496 PolarHBondContact O-N 3.33Å; L494-E497 PolarHBondContact O-N 3.2Å; L494-A498 WeakPolarHBondContact O-CB 3.48Å; L494-A498 PolarHBondContact O-N 3.21Å; L494-N704 HydrophobicContact CD2-CB 4.2Å; L494-V705 VanDerWaalsContact C-CG2 3.49Å; L494-V705 HydrophobicContact CB-CG2 3.93Å; L494-V705 WeakPolarHBondContact O-CG2 3.47Å
495V93.1Very high91.4Very high67 Ų6779.1 Ų79.141%0.40640%0.397SS..Hα-helixtrans-63.2-39.3177.1169.70000111.2Q491 G493 R499 V705Q491-V495 VanDerWaalsContact O-CG2 3.28Å; Q491-V495 WeakPolarHBondContact O-CG2 3.36Å; Q491-V495 PolarHBondContact O-N 2.7Å; G493-V495 VanDerWaalsContact C-N 3.33Å; G493-V495 PolarHBondContact O-N 3.41Å; V495-R499 VanDerWaalsContact O-CB 3.28Å; V495-R499 WeakPolarHBondContact O-CB 3.38Å; V495-R499 PolarHBondContact O-N 2.76Å; V495-V705 HydrophobicContact CG2-CG1 3.81Å; V495-V705 HydrophobicContact CG2-CG2 4.14Å
496K92.8Very high91.6Very high133 Ų13378.6 Ų78.658%0.57839%0.393SS*.Hα-helixtrans-66-47.9177.6-171.6-176.8173.9-168.80111.4L492 G493 L494 R499 E500L492-K496 PolarHBondContact O-N 3.44Å; L492-K496 VanDerWaalsContact O-N 3.13Å; G493-K496 WeakPolarHBondContact O-CB 3.44Å; G493-K496 PolarHBondContact O-N 3.24Å; G493-K496 VanDerWaalsContact O-N 3.14Å; L494-K496 VanDerWaalsContact C-N 3.31Å; L494-K496 PolarHBondContact O-N 3.33Å; K496-R499 PolarHBondContact O-N 2.92Å; K496-E500 WeakPolarHBondContact CE-OE1 3.3Å; K496-E500 PolarHBondContact O-N 3Å
497E92.7Very high91.7Very high100 Ų10078.8 Ų78.847%0.46740%0.395SS..Hα-helixtrans-59.3-48.3177.3-174.3-175174.400111.5G493 L494 R499 E500 L501G493-E497 PolarHBondContact O-N 3.27Å; L494-E497 PolarHBondContact O-N 3.2Å; E497-R499 VanDerWaalsContact C-N 3.29Å; E497-R499 PolarHBondContact O-N 2.99Å; E497-E500 PolarHBondContact O-N 2.85Å; E497-L501 HydrophobicContact CG-CD1 4.12Å; E497-L501 PolarHBondContact O-N 3.33Å
498A93.5Very high91.6Very high6 Ų679.4 Ų79.45%0.0540%0.398CS..Hα-helixtrans-59.2-41.217700000111.9L494 R502 A701 E702 V705L494-A498 WeakPolarHBondContact O-CB 3.48Å; L494-A498 PolarHBondContact O-N 3.21Å; A498-R502 WeakPolarHBondContact O-CB 3.49Å; A498-R502 PolarHBondContact O-N 3.22Å; A498-A701 HydrophobicContact CB-CB 3.86Å; A498-E702 HydrophobicContact CB-CG 4.14Å; A498-V705 HydrophobicContact CB-CG2 3.72Å
499R92.4Very high91.5Very high202 Ų20277.9 Ų77.976%0.76239%0.387SS*.Hα-helixtrans-66.5-40.7177.7-171.3178.4-178.4178.50.3112.4V495 K496 E497 H503V495-R499 VanDerWaalsContact O-CB 3.28Å; V495-R499 WeakPolarHBondContact O-CB 3.38Å; V495-R499 PolarHBondContact O-N 2.76Å; K496-R499 PolarHBondContact O-N 2.92Å; E497-R499 VanDerWaalsContact C-N 3.29Å; E497-R499 PolarHBondContact O-N 2.99Å; R499-H503 VanDerWaalsContact O-CB 3.29Å; R499-H503 WeakPolarHBondContact O-CB 3.4Å; R499-H503 PolarHBondContact O-N 3.03Å
500E94.1Very high91.4Very high99 Ų9974.8 Ų74.846%0.46338%0.382SS..Hα-helixtrans-65.6-48.9177.2-77.4175.2-174.700111.4K496 E497 R502 H503 Q504K496-E500 WeakPolarHBondContact CE-OE1 3.3Å; K496-E500 PolarHBondContact O-N 3Å; E497-E500 PolarHBondContact O-N 2.85Å; E500-R502 PolarHBondContact O-N 3.37Å; E500-H503 WeakPolarHBondContact O-CB 3.46Å; E500-H503 PolarHBondContact O-N 2.89Å; E500-Q504 WeakPolarHBondContact O-CG 3.2Å; E500-Q504 PolarHBondContact O-N 3.24Å
501L94Very high91.4Very high31 Ų3173.7 Ų73.716%0.16238%0.377CS..Hα-helixtrans-60.9-43.7176.2-72.7170.4000111.8E497 H503 Q504 A505 L694 A697 A698 A701E497-L501 HydrophobicContact CG-CD1 4.12Å; E497-L501 PolarHBondContact O-N 3.33Å; L501-H503 VanDerWaalsContact C-N 3.31Å; L501-H503 PolarHBondContact O-N 2.87Å; L501-Q504 PolarHBondContact O-N 3.07Å; L501-A505 WeakPolarHBondContact O-CB 3.35Å; L501-A505 PolarHBondContact O-N 2.92Å; L501-L694 HydrophobicContact CD2-CD2 4.29Å; L501-A697 HydrophobicContact CD1-CB 4.31Å; L501-A697 HydrophobicContact CD2-CB 4.32Å; L501-A698 HydrophobicContact CB-CB 3.91Å; L501-A701 HydrophobicContact CD1-CB 3.81Å
502R95.7Very high91.2Very high78 Ų7873.3 Ų73.329%0.29438%0.375SS..Hα-helixtrans-63.9-36.9176-176.762.975.8-172.46111.8A498 E500 S506 E695 A698 E702A498-R502 WeakPolarHBondContact O-CB 3.49Å; A498-R502 PolarHBondContact O-N 3.22Å; E500-R502 PolarHBondContact O-N 3.37Å; R502-S506 VanDerWaalsContact O-CB 3.25Å; R502-S506 WeakPolarHBondContact O-CB 3.4Å; R502-S506 PolarHBondContact O-N 2.83Å; R502-E695 IonicContact NH1-OE1 3.05Å; R502-E695 PolarHBondContact NH1-OE1 2.86Å; R502-A698 HydrophobicContact CB-CB 4.36Å; R502-E702 IonicContact CZ-OE1 3.92Å; R502-E702 IonicContact CZ-OE2 2.64Å; R502-E702 IonicContact NE-OE1 2.73Å; R502-E702 PolarHBondContact NE-OE1 3.26Å; R502-E702 IonicContact NE-OE2 3.97Å; R502-E702 IonicContact NH2-OE1 3.19Å; R502-E702 PolarHBondContact NH2-OE1 3.41Å; R502-E702 IonicContact NH2-OE2 3.92Å; R502-E702 PolarHBondContact NH2-OE2 3.05Å
503H92.8Very high91Very high128 Ų12871.1 Ų71.159%0.59337%0.369SS*.Hα-helixtrans-66.6-42.9175.4-177.557.1000112.2R499 E500 L501 S506 T507R499-H503 VanDerWaalsContact O-CB 3.29Å; R499-H503 WeakPolarHBondContact O-CB 3.4Å; R499-H503 PolarHBondContact O-N 3.03Å; E500-H503 WeakPolarHBondContact O-CB 3.46Å; E500-H503 PolarHBondContact O-N 2.89Å; L501-H503 VanDerWaalsContact C-N 3.31Å; L501-H503 PolarHBondContact O-N 2.87Å; H503-S506 PolarHBondContact O-N 3.38Å; H503-T507 WeakPolarHBondContact O-CB 3.48Å; H503-T507 PolarHBondContact O-N 2.96Å; H503-T507 PolarHBondContact O-OG1 3.18Å
504Q91.6Very high90.7Very high98 Ų9874.2 Ų74.246%0.45837%0.373SS..Hα-helixtrans-62.3-46.4174.8-69.3177.914.200111.4E500 L501 S506 T507 L508 L694E500-Q504 WeakPolarHBondContact O-CG 3.2Å; E500-Q504 PolarHBondContact O-N 3.24Å; L501-Q504 PolarHBondContact O-N 3.07Å; Q504-S506 PolarHBondContact O-N 3.42Å; Q504-T507 PolarHBondContact O-N 3.22Å; Q504-L508 PolarHBondContact O-N 2.73Å; Q504-L694 HydrophobicContact CB-CD1 4.3Å; Q504-L694 HydrophobicContact CB-CD2 4.34Å
505A90.5Very high90.5Very high0 Ų072.2 Ų72.20%036%0.362CS..Hα-helixtrans-59.7-44.7175.500000111.8L501 L508 S509 L694L501-A505 WeakPolarHBondContact O-CB 3.35Å; L501-A505 PolarHBondContact O-N 2.92Å; A505-L508 PolarHBondContact O-N 3.38Å; A505-S509 WeakPolarHBondContact O-CB 3.23Å; A505-S509 PolarHBondContact O-N 3.04Å; A505-L694 HydrophobicContact CB-CB 4.21Å
506S89.9Confident90.2Very high74 Ų7471.2 Ų71.252%0.51736%0.356SS..Hα-helixtrans-66.2-40.1178.5-173.50000112.6R502 H503 Q504 S509 S510R502-S506 VanDerWaalsContact O-CB 3.25Å; R502-S506 WeakPolarHBondContact O-CB 3.4Å; R502-S506 PolarHBondContact O-N 2.83Å; H503-S506 PolarHBondContact O-N 3.38Å; Q504-S506 PolarHBondContact O-N 3.42Å; S506-S509 WeakPolarHBondContact O-CB 3.2Å; S506-S509 PolarHBondContact O-N 3.31Å; S506-S510 PolarHBondContact O-N 3.16Å
507T90Very high90.1Very high67 Ų6766.2 Ų66.241%0.41133%0.334SS..Hα-helixtrans-62.8-45.1176.8-58.20000110.8H503 Q504 S510H503-T507 WeakPolarHBondContact O-CB 3.48Å; H503-T507 PolarHBondContact O-N 2.96Å; H503-T507 PolarHBondContact O-OG1 3.18Å; Q504-T507 PolarHBondContact O-N 3.22Å; T507-S510 PolarHBondContact O-N 2.96Å; T507-S510 PolarHBondContact O-OG 3.29Å
508L86.1Confident90Very high28 Ų2866.7 Ų66.715%0.14734%0.34CS..Hα-helixtrans-70.5-37.2177.5-165.357.7000111.8Q504 A505 S510 Q511 F512 K690 W691 L694Q504-L508 PolarHBondContact O-N 2.73Å; A505-L508 PolarHBondContact O-N 3.38Å; L508-S510 VanDerWaalsContact C-N 3.29Å; L508-S510 PolarHBondContact O-N 3.25Å; L508-Q511 WeakPolarHBondContact O-CB 3.43Å; L508-Q511 PolarHBondContact O-N 3.29Å; L508-Q511 VanDerWaalsContact O-N 3.16Å; L508-F512 HydrophobicContact CD1-CE2 4.38Å; L508-F512 HydrophobicContact CG-CE2 4.29Å; L508-F512 WeakPolarHBondContact O-CD2 3.18Å; L508-K690 HydrophobicContact CD2-CB 4.17Å; L508-W691 HydrophobicContact CB-CB 4.43Å; L508-W691 VanDerWaalsContact CD2-CA 3.49Å; L508-W691 HydrophobicContact CD2-CB 3.63Å; L508-W691 HydrophobicContact CG-CB 3.87Å; L508-W691 HydrophobicContact CG-CG 4.48Å; L508-L694 HydrophobicContact CD2-CD1 4.05Å
509S86.7Confident89.9Confident23 Ų2368 Ų6816%0.16134%0.344CS..Hα-helixtrans-57.4-38.8173.6-177.20000112.9A505 S506 Q511 F512 W691A505-S509 WeakPolarHBondContact O-CB 3.23Å; A505-S509 PolarHBondContact O-N 3.04Å; S506-S509 WeakPolarHBondContact O-CB 3.2Å; S506-S509 PolarHBondContact O-N 3.31Å; S509-Q511 PolarHBondContact O-N 3.12Å; S509-F512 CarbonylContact O-C 3.49Å; S509-F512 PolarHBondContact O-N 2.73Å; S509-W691 WeakPolarHBondContact OG-CZ2 3.48Å
510S87Confident89.9Confident85 Ų8561.7 Ų61.759%0.59433%0.328SS*.THydrogen-bonded Turntrans-59.4-21179.577.80000113.8S506 T507 L508 F512S506-S510 PolarHBondContact O-N 3.16Å; T507-S510 PolarHBondContact O-N 2.96Å; T507-S510 PolarHBondContact O-OG 3.29Å; L508-S510 VanDerWaalsContact C-N 3.29Å; L508-S510 PolarHBondContact O-N 3.25Å; S510-F512 VanDerWaalsContact C-N 3.28Å
511Q88.3Confident89.8Confident93 Ų9360.3 Ų60.344%0.43532%0.324SS..THydrogen-bonded Turntrans-77.4-14.6176.3-54.6179.212.900112.6L508 S509 P513L508-Q511 WeakPolarHBondContact O-CB 3.43Å; L508-Q511 PolarHBondContact O-N 3.29Å; L508-Q511 VanDerWaalsContact O-N 3.16Å; S509-Q511 PolarHBondContact O-N 3.12Å; Q511-P513 WeakPolarHBondContact O-CD 3.28Å
512F88.2Confident89.7Confident11 Ų1159.3 Ų59.35%0.04832%0.319CS..  trans-124.757.6-176.7-49.2-65.6000112.8L508 S509 S510 Q514 L515 L684 R687 I688 W691L508-F512 HydrophobicContact CD1-CE2 4.38Å; L508-F512 HydrophobicContact CG-CE2 4.29Å; L508-F512 WeakPolarHBondContact O-CD2 3.18Å; S509-F512 CarbonylContact O-C 3.49Å; S509-F512 PolarHBondContact O-N 2.73Å; S510-F512 VanDerWaalsContact C-N 3.28Å; F512-Q514 PolarHBondContact O-N 2.96Å; F512-L515 HydrophobicContact CB-CB 4.16Å; F512-L515 HydrophobicContact CB-CD1 3.9Å; F512-L515 HydrophobicContact CB-CG 4.18Å; F512-L515 HydrophobicContact CG-CD1 4.25Å; F512-L515 PolarHBondContact O-N 3.29Å; F512-L684 HydrophobicContact CD1-CD1 3.95Å; F512-L684 HydrophobicContact CE1-CD1 3.57Å; F512-R687 HydrophobicContact CE2-CB 4.42Å; F512-R687 HydrophobicContact CZ-CB 3.68Å; F512-I688 HydrophobicContact CD1-CG1 4.44Å; F512-I688 HydrophobicContact CE1-CG1 4.36Å; F512-I688 HydrophobicContact CE2-CG1 4.5Å; F512-I688 HydrophobicContact CZ-CG1 4.38Å; F512-W691 HydrophobicContact CB-CZ3 4.14Å; F512-W691 HydrophobicContact CD2-CD2 4.42Å; F512-W691 AromaticContact CD2-CE3 3.8Å; F512-W691 HydrophobicContact CD2-CE3 3.8Å; F512-W691 HydrophobicContact CD2-CZ3 4.21Å
513P86.9Confident89.6Confident82 Ų8258.9 Ų58.953%0.53232%0.321SS..G310 helixtrans-59.5-24.3178.926.4-34.5000112.3Q511 L515 V516Q511-P513 WeakPolarHBondContact O-CD 3.28Å; P513-L515 PolarHBondContact O-N 2.74Å; P513-V516 PolarHBondContact O-N 3.25Å
514Q85.6Confident89.5Confident106 Ų10658.5 Ų58.550%0.49533%0.33SS..G310 helixtrans-65.7-18.7175.1-34.6-77.1-1.100113.4F512 R580F512-Q514 PolarHBondContact O-N 2.96Å; Q514-R580 PolarHBondContact O-NH1 3.33Å; Q514-R580 PolarHBondContact O-NH2 3.44Å
515L89Confident89.3Confident5 Ų561.9 Ų61.93%0.02635%0.351CS..G310 helixtrans-105.1-4.9-177.5-66.3178.8000112.9F512 P513 P534 A536 I688 W691F512-L515 HydrophobicContact CB-CB 4.16Å; F512-L515 HydrophobicContact CB-CD1 3.9Å; F512-L515 HydrophobicContact CB-CG 4.18Å; F512-L515 HydrophobicContact CG-CD1 4.25Å; F512-L515 PolarHBondContact O-N 3.29Å; P513-L515 PolarHBondContact O-N 2.74Å; L515-P534 HydrophobicContact CD2-CB 3.95Å; L515-P534 HydrophobicContact CD2-CG 4.27Å; L515-P534 WeakPolarHBondContact O-CG 3.4Å; L515-A536 HydrophobicContact CD1-CB 4.21Å; L515-A536 HydrophobicContact CD2-CB 3.67Å; L515-I688 HydrophobicContact CD1-CD1 3.52Å; L515-I688 HydrophobicContact CD1-CG1 3.7Å; L515-I688 HydrophobicContact CD1-CG2 4.38Å; L515-W691 HydrophobicContact CB-CH2 4.23Å; L515-W691 HydrophobicContact CB-CZ3 3.87Å; L515-W691 HydrophobicContact CD1-CZ3 3.97Å
516V86.5Confident89.5Confident47 Ų4762.5 Ų62.529%0.28535%0.354SS..  trans-83.7124.1171.8-175.90000108.2P513 D518 R580P513-V516 PolarHBondContact O-N 3.25Å; V516-D518 WeakPolarHBondContact CG1-OD1 3.31Å; V516-R580 PolarHBondContact O-NH2 3.2Å
517F90.5Very high89.6Confident27 Ų2762.9 Ų62.912%0.11835%0.35CS..  trans-110.285.4178.5-175.1-118.8000110Y519 V531 I561 I578 V582 M584F517-Y519 AromaticContact CD1-CD1 3.45Å; F517-Y519 HydrophobicContact CD1-CD1 3.45Å; F517-Y519 VanDerWaalsContact CD1-CD1 3.45Å; F517-Y519 AromaticContact CD1-CE1 3.65Å; F517-Y519 HydrophobicContact CD1-CE1 3.65Å; F517-Y519 AromaticContact CE1-CD1 3.31Å; F517-Y519 HydrophobicContact CE1-CD1 3.31Å; F517-Y519 AromaticContact CE1-CE1 3.66Å; F517-Y519 HydrophobicContact CE1-CE1 3.66Å; F517-Y519 HydrophobicContact CE1-CG 4.05Å; F517-Y519 HydrophobicContact CG-CD1 4.32Å; F517-Y519 HydrophobicContact CZ-CD1 4.09Å; F517-Y519 HydrophobicContact CZ-CG 4.5Å; F517-Y519 WeakPolarHBondContact O-CD1 3.43Å; F517-V531 HydrophobicContact CD1-CG1 3.76Å; F517-V531 HydrophobicContact CE1-CG1 3.74Å; F517-I561 HydrophobicContact CB-CD1 3.82Å; F517-I561 HydrophobicContact CD1-CD1 4.49Å; F517-I561 HydrophobicContact CD1-CG1 4.45Å; F517-I561 HydrophobicContact CD1-CG2 3.89Å; F517-I561 HydrophobicContact CD2-CD1 3.82Å; F517-I561 HydrophobicContact CD2-CG1 3.64Å; F517-I561 HydrophobicContact CE1-CG2 3.88Å; F517-I561 HydrophobicContact CE2-CG1 3.9Å; F517-I561 HydrophobicContact CG-CD1 3.78Å; F517-I561 HydrophobicContact CG-CG1 3.94Å; F517-I561 HydrophobicContact CG-CG2 4.22Å; F517-I561 HydrophobicContact CZ-CG1 4.41Å; F517-I561 HydrophobicContact CZ-CG2 4.2Å; F517-I578 HydrophobicContact CE2-CD1 4.05Å; F517-I578 HydrophobicContact CE2-CG1 4.35Å; F517-I578 HydrophobicContact CE2-CG2 4.12Å; F517-I578 HydrophobicContact CZ-CD1 4.01Å; F517-I578 HydrophobicContact CZ-CG1 4.45Å; F517-V582 HydrophobicContact CD2-CG1 4.33Å; F517-V582 HydrophobicContact CE2-CG1 4.14Å; F517-V582 HydrophobicContact CE2-CG2 4.23Å; F517-M584 HydrophobicContact CE1-CE 4.46Å; F517-M584 HydrophobicContact CZ-CE 4.01Å; F517-M584 HydrophobicContact CZ-SD 4.18Å
518D89.7Confident89.7Confident110 Ų11066.1 Ų66.159%0.58836%0.355SS*.  trans-87.3125.4177.4-65.7-33.2000110.9V516V516-D518 WeakPolarHBondContact CG1-OD1 3.31Å
519Y92.3Very high89.9Confident33 Ų3375.2 Ų75.213%0.12939%0.387CS..  trans-146.4154.2175.464.1-83.2000110.7F517 F526 V531 L572 G576F517-Y519 AromaticContact CD1-CD1 3.45Å; F517-Y519 HydrophobicContact CD1-CD1 3.45Å; F517-Y519 VanDerWaalsContact CD1-CD1 3.45Å; F517-Y519 AromaticContact CD1-CE1 3.65Å; F517-Y519 HydrophobicContact CD1-CE1 3.65Å; F517-Y519 AromaticContact CE1-CD1 3.31Å; F517-Y519 HydrophobicContact CE1-CD1 3.31Å; F517-Y519 AromaticContact CE1-CE1 3.66Å; F517-Y519 HydrophobicContact CE1-CE1 3.66Å; F517-Y519 HydrophobicContact CE1-CG 4.05Å; F517-Y519 HydrophobicContact CG-CD1 4.32Å; F517-Y519 HydrophobicContact CZ-CD1 4.09Å; F517-Y519 HydrophobicContact CZ-CG 4.5Å; F517-Y519 WeakPolarHBondContact O-CD1 3.43Å; Y519-F526 HydrophobicContact CE2-CD1 4.18Å; Y519-F526 AromaticContact CE2-CE1 3.77Å; Y519-F526 HydrophobicContact CE2-CE1 3.77Å; Y519-V531 HydrophobicContact CE1-CB 4.5Å; Y519-V531 HydrophobicContact CE1-CG1 4.25Å; Y519-V531 HydrophobicContact CE1-CG2 4.36Å; Y519-L572 HydrophobicContact CD2-CD2 3.33Å; Y519-L572 HydrophobicContact CE2-CD2 3.64Å; Y519-L572 HydrophobicContact CG-CD2 3.88Å; Y519-G576 WeakPolarHBondContact CA-O 3.39Å
520T91.5Very high90.3Very high71 Ų7177 Ų7744%0.43639%0.39SS..  trans-85.4143.3168.9-51.20000108.5P522 G576T520-P522 WeakPolarHBondContact O-CD 3.35Å; T520-P522 VanDerWaalsContact O-N 3.1Å; T520-G576 PolarHBondContact N-O 3.38Å; T520-G576 WeakPolarHBondContact O-CA 3.42Å
521D93.4Very high90.7Very high69 Ų6973.9 Ų73.937%0.36937%0.367SS..  trans-59118.6176.7-66.3-12.2000109E523 F526 R528D521-E523 PolarHBondContact O-N 3.41Å; D521-F526 HydrophobicContact CB-CB 4.14Å; D521-R528 IonicContact OD1-CZ 3.37Å; D521-R528 VanDerWaalsContact OD1-CZ 3.24Å; D521-R528 IonicContact OD1-NE 2.85Å; D521-R528 PolarHBondContact OD1-NE 2.86Å; D521-R528 IonicContact OD1-NH2 2.68Å; D521-R528 PolarHBondContact OD1-NH2 3.34Å; D521-R528 IonicContact OD2-NE 3.46Å; D521-R528 IonicContact OD2-NH2 3.25Å
522P91.8Very high91Very high11 Ų1172.4 Ų72.47%0.07136%0.362CS..SBendtrans-76.7-11.4-168.931.1-37.6000113.5T520 F526 I571 L572 R575T520-P522 WeakPolarHBondContact O-CD 3.35Å; T520-P522 VanDerWaalsContact O-N 3.1Å; P522-F526 HydrophobicContact CG-CD1 4.45Å; P522-F526 HydrophobicContact CG-CD2 3.75Å; P522-F526 HydrophobicContact CG-CE2 3.9Å; P522-F526 HydrophobicContact CG-CG 4.04Å; P522-F526 HydrophobicContact CG-CZ 4.32Å; P522-I571 HydrophobicContact CB-CG2 3.43Å; P522-I571 VanDerWaalsContact CB-CG2 3.43Å; P522-I571 HydrophobicContact CG-CG2 3.54Å; P522-L572 HydrophobicContact CG-CD2 4.01Å; P522-L572 HydrophobicContact CG-CG 4.46Å; P522-R575 HydrophobicContact CB-CB 3.66Å; P522-R575 WeakPolarHBondContact O-CD 3.35Å
523E93Very high91.2Very high68 Ų6872.3 Ų72.332%0.31836%0.364SS..SBendtrans-149.8157175.360.9-171.3170.400110.4D521 N525 F526 R530D521-E523 PolarHBondContact O-N 3.41Å; E523-N525 PolarHBondContact O-N 3.45Å; E523-F526 HydrophobicContact CG-CB 4.02Å; E523-F526 HydrophobicContact CG-CD2 4.03Å; E523-F526 WeakPolarHBondContact O-CB 3.27Å; E523-F526 PolarHBondContact O-N 2.84Å; E523-R530 IonicContact OE1-NH1 3.01Å
524P90.1Very high91.6Very high121 Ų12168.7 Ų68.779%0.78634%0.341SS*.THydrogen-bonded Turntrans-59.5137.4174.7-20.632.3000111.3F526P524-F526 VanDerWaalsContact C-N 3.26Å; P524-F526 PolarHBondContact O-N 3.15Å
525N89.2Confident92.1Very high169 Ų16963.7 Ų63.790%0.90432%0.317SS*.THydrogen-bonded Turntrans60.528.8-178.7-52.2-35.5000114.7E523 D527E523-N525 PolarHBondContact O-N 3.45Å; N525-D527 PolarHBondContact O-N 3.42Å
526F93.6Very high92.3Very high13 Ų1363.4 Ų63.46%0.05732%0.316CS..  trans-57.7124.4175.3-180-103.9000111.7Y519 D521 P522 E523 P524 R528 R530 V531 T568 L572Y519-F526 HydrophobicContact CE2-CD1 4.18Å; Y519-F526 AromaticContact CE2-CE1 3.77Å; Y519-F526 HydrophobicContact CE2-CE1 3.77Å; D521-F526 HydrophobicContact CB-CB 4.14Å; P522-F526 HydrophobicContact CG-CD1 4.45Å; P522-F526 HydrophobicContact CG-CD2 3.75Å; P522-F526 HydrophobicContact CG-CE2 3.9Å; P522-F526 HydrophobicContact CG-CG 4.04Å; P522-F526 HydrophobicContact CG-CZ 4.32Å; E523-F526 HydrophobicContact CG-CB 4.02Å; E523-F526 HydrophobicContact CG-CD2 4.03Å; E523-F526 WeakPolarHBondContact O-CB 3.27Å; E523-F526 PolarHBondContact O-N 2.84Å; P524-F526 VanDerWaalsContact C-N 3.26Å; P524-F526 PolarHBondContact O-N 3.15Å; F526-R528 HydrophobicContact CD1-CG 4.24Å; F526-R528 PolarHBondContact O-N 2.95Å; F526-R530 HydrophobicContact CZ-CB 4.43Å; F526-V531 HydrophobicContact CE1-CG2 4.12Å; F526-V531 HydrophobicContact CZ-CG2 4.12Å; F526-T568 HydrophobicContact CE2-CG2 4.1Å; F526-T568 HydrophobicContact CZ-CG2 3.82Å; F526-L572 HydrophobicContact CE1-CD2 4.37Å; F526-L572 HydrophobicContact CZ-CD1 4.38Å; F526-L572 HydrophobicContact CZ-CD2 4.23Å; F526-L572 HydrophobicContact CZ-CG 4.35Å
527D92.4Very high92.6Very high81 Ų8164.1 Ų64.143%0.43332%0.315SS..  trans-76.1104.5175.2-177.86000110.7N525 R529 R530N525-D527 PolarHBondContact O-N 3.42Å; D527-R529 PolarHBondContact O-N 3.35Å; D527-R529 VanDerWaalsContact O-N 3.14Å; D527-R529 VanDerWaalsContact OD1-CB 3.26Å; D527-R529 WeakPolarHBondContact OD1-CB 3.35Å; D527-R529 WeakPolarHBondContact OD1-CG 3.21Å; D527-R529 PolarHBondContact OD1-N 3.46Å; D527-R530 HydrophobicContact CB-CG 4.17Å; D527-R530 VanDerWaalsContact O-CB 3.29Å; D527-R530 WeakPolarHBondContact O-CB 3.25Å; D527-R530 VanDerWaalsContact O-CG 3.27Å; D527-R530 WeakPolarHBondContact O-CG 3.35Å; D527-R530 PolarHBondContact O-N 2.93Å; D527-R530 VanDerWaalsContact O-N 3.11Å
528R91.8Very high92.7Very high136 Ų13664.3 Ų64.351%0.51332%0.318SS..G310 helixtrans-62.6-17.6179.1-67.9-169.5168.8-151.2-7.4113.9D521 F526 R530 V531D521-R528 IonicContact OD1-CZ 3.37Å; D521-R528 VanDerWaalsContact OD1-CZ 3.24Å; D521-R528 IonicContact OD1-NE 2.85Å; D521-R528 PolarHBondContact OD1-NE 2.86Å; D521-R528 IonicContact OD1-NH2 2.68Å; D521-R528 PolarHBondContact OD1-NH2 3.34Å; D521-R528 IonicContact OD2-NE 3.46Å; D521-R528 IonicContact OD2-NH2 3.25Å; F526-R528 HydrophobicContact CD1-CG 4.24Å; F526-R528 PolarHBondContact O-N 2.95Å; R528-R530 PolarHBondContact O-N 3.29Å; R528-V531 PolarHBondContact O-N 3.46Å
529R91.3Very high92.9Very high219 Ų21959.1 Ų59.183%0.82629%0.29SS*.G310 helixtrans-65.5-18.1174.9-62.1174.6176.8-178.7-0.6112.8D527 V531D527-R529 PolarHBondContact O-N 3.35Å; D527-R529 VanDerWaalsContact O-N 3.14Å; D527-R529 VanDerWaalsContact OD1-CB 3.26Å; D527-R529 WeakPolarHBondContact OD1-CB 3.35Å; D527-R529 WeakPolarHBondContact OD1-CG 3.21Å; D527-R529 PolarHBondContact OD1-N 3.46Å; R529-V531 PolarHBondContact O-N 3.39Å
530R93.7Very high93Very high59 Ų5961.7 Ų61.722%0.22330%0.299CS..G310 helixtrans-66.9-14.9172.6-60.5177.671.2-1740.6112.7E523 F526 D527 R528 V563 D564 T568E523-R530 IonicContact OE1-NH1 3.01Å; F526-R530 HydrophobicContact CZ-CB 4.43Å; D527-R530 HydrophobicContact CB-CG 4.17Å; D527-R530 VanDerWaalsContact O-CB 3.29Å; D527-R530 WeakPolarHBondContact O-CB 3.25Å; D527-R530 VanDerWaalsContact O-CG 3.27Å; D527-R530 WeakPolarHBondContact O-CG 3.35Å; D527-R530 PolarHBondContact O-N 2.93Å; D527-R530 VanDerWaalsContact O-N 3.11Å; R528-R530 PolarHBondContact O-N 3.29Å; R530-V563 WeakPolarHBondContact O-CA 3.44Å; R530-D564 HydrophobicContact CB-CB 4.49Å; R530-D564 VanDerWaalsContact CG-OD2 3.31Å; R530-D564 WeakPolarHBondContact CG-OD2 3.44Å; R530-D564 IonicContact CZ-OD2 3.89Å; R530-D564 IonicContact NE-OD1 2.74Å; R530-D564 IonicContact NE-OD2 2.73Å; R530-D564 PolarHBondContact NE-OD2 2.9Å; R530-D564 IonicContact NH2-OD2 2.59Å; R530-D564 PolarHBondContact O-N 2.93Å; R530-T568 HydrophobicContact CB-CG2 3.86Å; R530-T568 PolarHBondContact NE-OG1 3.24Å; R530-T568 VanDerWaalsContact NE-OG1 3.15Å; R530-T568 PolarHBondContact NH2-OG1 3.07Å
531V95.6Very high93Very high20 Ų2059.1 Ų59.112%0.12128%0.283CS..EExtended strand (participates in β ladder)trans-107.9103.3174.3-174.70000109.3F517 Y519 F526 R528 R529 G533 I561 V563 T568 L572F517-V531 HydrophobicContact CD1-CG1 3.76Å; F517-V531 HydrophobicContact CE1-CG1 3.74Å; Y519-V531 HydrophobicContact CE1-CB 4.5Å; Y519-V531 HydrophobicContact CE1-CG1 4.25Å; Y519-V531 HydrophobicContact CE1-CG2 4.36Å; F526-V531 HydrophobicContact CE1-CG2 4.12Å; F526-V531 HydrophobicContact CZ-CG2 4.12Å; R528-V531 PolarHBondContact O-N 3.46Å; R529-V531 PolarHBondContact O-N 3.39Å; V531-G533 VanDerWaalsContact C-N 3.34Å; V531-I561 HydrophobicContact CG1-CG2 3.96Å; V531-V563 HydrophobicContact CG1-CG1 4.45Å; V531-V563 HydrophobicContact CG2-CG1 4.3Å; V531-T568 HydrophobicContact CG2-CG2 4.47Å; V531-L572 HydrophobicContact CG2-CD1 3.47Å; V531-L572 VanDerWaalsContact CG2-CD1 3.47Å
532L94.4Very high93Very high62 Ų6261.5 Ų61.533%0.32529%0.291SS..EExtended strand (participates in β ladder)trans-75.5-28.5180-6880.8000111.4L538 V562 L587 L625L532-L538 HydrophobicContact CB-CD1 4.17Å; L532-L538 HydrophobicContact CB-CD2 4.38Å; L532-V562 HydrophobicContact CB-CB 4.14Å; L532-V562 HydrophobicContact CB-CG1 4.23Å; L532-V562 HydrophobicContact CD1-CG1 4.37Å; L532-V562 HydrophobicContact CD2-CG1 4.25Å; L532-V562 PolarHBondContact N-O 3.37Å; L532-L587 HydrophobicContact CD1-CD1 4.18Å; L532-L587 HydrophobicContact CD2-CD1 4.05Å; L532-L625 HydrophobicContact CD2-CD2 3.69Å
533G93.8Very high93Very high9 Ų964 Ų649%0.09330%0.303CS..EExtended strand (participates in β ladder)trans104.6-167.7174.500000113.9V531 V562V531-G533 VanDerWaalsContact C-N 3.34Å; G533-V562 PolarHBondContact N-O 3.28Å; G533-V562 PolarHBondContact O-N 2.88Å
534P94.9Very high92.7Very high7 Ų765.7 Ų65.75%0.04531%0.314CS..EExtended strand (participates in β ladder)trans-68.6140.7-173.929-36.4000112.5L515 A536 K537 N560 I561L515-P534 HydrophobicContact CD2-CB 3.95Å; L515-P534 HydrophobicContact CD2-CG 4.27Å; L515-P534 WeakPolarHBondContact O-CG 3.4Å; P534-A536 PolarHBondContact O-N 2.93Å; P534-A536 VanDerWaalsContact O-N 3.08Å; P534-K537 HydrophobicContact CG-CB 4.42Å; P534-K537 HydrophobicContact CG-CD 3.99Å; P534-K537 HydrophobicContact CG-CG 4.02Å; P534-K537 PolarHBondContact O-N 3.4Å; P534-N560 CarbonylContact C-O 3.56Å; P534-N560 VanDerWaalsContact CA-O 3.25Å; P534-N560 WeakPolarHBondContact CA-O 3.47Å; P534-I561 HydrophobicContact CB-CD1 3.93Å
535V95.8Very high92.7Very high0 Ų065.6 Ų65.60%030%0.301CS..G310 helixtrans-49.1-40.6179.7172.60000112.4K537 L538 F539 K557 L558 N560 V562 L585 V628 V632V535-K537 PolarHBondContact O-N 3.47Å; V535-L538 PolarHBondContact O-N 2.88Å; V535-F539 HydrophobicContact CG1-CD1 4.47Å; V535-F539 HydrophobicContact CG1-CE1 4.3Å; V535-F539 WeakPolarHBondContact O-CD1 3.23Å; V535-K557 WeakPolarHBondContact CB-O 3.37Å; V535-L558 PolarHBondContact N-O 3.38Å; V535-N560 HydrophobicContact CG2-CB 4.41Å; V535-N560 PolarHBondContact N-O 3.29Å; V535-V562 HydrophobicContact CG2-CG2 3.86Å; V535-L585 HydrophobicContact CG2-CD1 3.74Å; V535-V628 HydrophobicContact CG2-CG1 4Å; V535-V632 HydrophobicContact CG1-CG2 4.11Å
536A93.9Very high92.8Very high0 Ų059.4 Ų59.40%027%0.265CS..G310 helixtrans-56.8-23.3-178.300000114.9L515 P534 L558 I688L515-A536 HydrophobicContact CD1-CB 4.21Å; L515-A536 HydrophobicContact CD2-CB 3.67Å; P534-A536 PolarHBondContact O-N 2.93Å; P534-A536 VanDerWaalsContact O-N 3.08Å; A536-L558 HydrophobicContact CB-CB 4.07Å; A536-L558 HydrophobicContact CB-CD2 4.07Å; A536-L558 WeakPolarHBondContact CB-O 3.39Å; A536-L558 PolarHBondContact N-O 2.96Å; A536-I688 HydrophobicContact CB-CD1 4.14Å
537K91.4Very high92.7Very high61 Ų6158.9 Ų58.927%0.26526%0.264SS..G310 helixtrans-92-11.1179.3-69.2-170.4171.1-159.20113.7P534 V535 R692 E695P534-K537 HydrophobicContact CG-CB 4.42Å; P534-K537 HydrophobicContact CG-CD 3.99Å; P534-K537 HydrophobicContact CG-CG 4.02Å; P534-K537 PolarHBondContact O-N 3.4Å; V535-K537 PolarHBondContact O-N 3.47Å; K537-R692 PolarHBondContact O-NH1 3.03Å; K537-R692 VanDerWaalsContact O-NH1 3.1Å; K537-E695 IonicContact NZ-OE2 3.93Å
538L93.4Very high92.6Very high32 Ų3257 Ų5717%0.16826%0.255CS..SBendtrans-100.72.7-163.9-63.8177.9000114.4L532 V535 V562 L625 M629L532-L538 HydrophobicContact CB-CD1 4.17Å; L532-L538 HydrophobicContact CB-CD2 4.38Å; V535-L538 PolarHBondContact O-N 2.88Å; L538-V562 HydrophobicContact CD1-CB 3.75Å; L538-V562 HydrophobicContact CD1-CG1 4.47Å; L538-V562 HydrophobicContact CD1-CG2 3.55Å; L538-L625 HydrophobicContact CB-CD1 3.81Å; L538-L625 HydrophobicContact CD1-CD2 4.08Å; L538-L625 WeakPolarHBondContact O-CD1 3.2Å; L538-M629 HydrophobicContact CB-CE 3.99Å
539F94.9Very high92.7Very high1 Ų150.5 Ų50.50%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-140.3167.7173.671.2-82.7000111.3V535 V541 L558 I619 E620 M629 F633 L685 F689V535-F539 HydrophobicContact CG1-CD1 4.47Å; V535-F539 HydrophobicContact CG1-CE1 4.3Å; V535-F539 WeakPolarHBondContact O-CD1 3.23Å; F539-V541 HydrophobicContact CE2-CG2 3.99Å; F539-L558 HydrophobicContact CE1-CD2 3.98Å; F539-L558 HydrophobicContact CZ-CD2 4.11Å; F539-I619 HydrophobicContact CD2-CB 3.87Å; F539-I619 HydrophobicContact CD2-CD1 4.45Å; F539-I619 HydrophobicContact CD2-CG2 3.54Å; F539-I619 HydrophobicContact CE2-CG2 3.78Å; F539-E620 CarbonylContact C-O 3.5Å; F539-E620 WeakPolarHBondContact CA-O 3.42Å; F539-E620 WeakPolarHBondContact CB-O 3.31Å; F539-M629 HydrophobicContact CB-CE 3.8Å; F539-M629 HydrophobicContact CB-SD 4.11Å; F539-M629 HydrophobicContact CD1-CE 4.09Å; F539-M629 HydrophobicContact CD1-SD 4.2Å; F539-M629 HydrophobicContact CG-CE 4.36Å; F539-M629 HydrophobicContact CG-SD 4.36Å; F539-F633 HydrophobicContact CD1-CE2 4.28Å; F539-F633 HydrophobicContact CE1-CE2 4.03Å; F539-F633 AromaticContact CE1-CZ 3.86Å; F539-F633 HydrophobicContact CE1-CZ 3.86Å; F539-F633 HydrophobicContact CE2-CE2 4.38Å; F539-F633 AromaticContact CE2-CZ 3.96Å; F539-F633 HydrophobicContact CE2-CZ 3.96Å; F539-F633 HydrophobicContact CZ-CE2 4.09Å; F539-F633 AromaticContact CZ-CZ 3.55Å; F539-F633 HydrophobicContact CZ-CZ 3.55Å; F539-L685 HydrophobicContact CE2-CD1 4.29Å; F539-L685 HydrophobicContact CE2-CD2 4.49Å; F539-L685 HydrophobicContact CZ-CD1 4.11Å; F539-L685 HydrophobicContact CZ-CD2 3.83Å; F539-F689 HydrophobicContact CE2-CZ 4.25Å; F539-F689 VanDerWaalsContact O-CE1 3.24Å; F539-F689 WeakPolarHBondContact O-CE1 3.44Å
540R92.5Very high92.8Very high86 Ų8640.1 Ų40.133%0.32519%0.191SC..EExtended strand (participates in β ladder)trans-121.3155.2168-72.6-172.9178.6-120.8-5.9109.9I619 E620 D693R540-I619 CarbonylContact O-C 3.57Å; R540-I619 WeakPolarHBondContact O-CA 3.48Å; R540-I619 WeakPolarHBondContact O-CB 3.18Å; R540-E620 HydrophobicContact CB-CB 4.36Å; R540-E620 PolarHBondContact N-O 3.18Å; R540-E620 PolarHBondContact O-N 2.97Å; R540-D693 IonicContact CZ-OD1 3.86Å; R540-D693 IonicContact NH1-OD1 3.94Å; R540-D693 PolarHBondContact NH1-OD1 3.34Å; R540-D693 IonicContact NH2-OD1 3.65Å; R540-D693 PolarHBondContact NH2-OD1 2.92Å
541V92.8Very high92.8Very high17 Ų1738 Ų3810%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-95.4130.3171.91800000108.3F539 D543 L550 I619 L685 F689F539-V541 HydrophobicContact CE2-CG2 3.99Å; V541-D543 WeakPolarHBondContact CG1-O 3.02Å; V541-L550 HydrophobicContact CB-CD1 4.2Å; V541-L550 HydrophobicContact CG1-CD1 3.6Å; V541-L550 HydrophobicContact CG2-CD1 3.55Å; V541-I619 HydrophobicContact CG2-CG2 4.47Å; V541-L685 HydrophobicContact CG2-CD1 4.15Å; V541-F689 HydrophobicContact CB-CE2 3.96Å; V541-F689 HydrophobicContact CB-CZ 4.44Å; V541-F689 HydrophobicContact CG2-CE2 3.6Å; V541-F689 HydrophobicContact CG2-CZ 3.77Å
542K92.8Very high92.6Very high120 Ų12038.6 Ų38.652%0.52219%0.187SC..SBendtrans-65.7-38.2-178.9-69179.5-179.9171.40112.8S617 L618 I619 E620K542-S617 WeakPolarHBondContact CE-O 3.44Å; K542-S617 PolarHBondContact NZ-O 2.66Å; K542-L618 WeakPolarHBondContact CB-O 3.47Å; K542-L618 WeakPolarHBondContact CG-O 3.42Å; K542-L618 PolarHBondContact N-O 3Å; K542-I619 WeakPolarHBondContact CE-O 3.49Å; K542-E620 HydrophobicContact CD-CG 4.28Å; K542-E620 HydrophobicContact CG-CG 3.7Å
543D91.2Very high92.5Very high62 Ų6236.5 Ų36.533%0.33218%0.176SC..SBendtrans-138.4117.2-179.7-179.5-12.4000109.3V541 K545 Y546V541-D543 WeakPolarHBondContact CG1-O 3.02Å; D543-K545 PolarHBondContact O-N 3.4Å; D543-K545 WeakPolarHBondContact OD1-CG 3.33Å; D543-K545 PolarHBondContact OD1-N 3.42Å; D543-K545 VanDerWaalsContact OD1-N 3.11Å; D543-K545 WeakPolarHBondContact OD2-CD 2.96Å; D543-K545 WeakPolarHBondContact OD2-CE 3.4Å; D543-K545 IonicContact OD2-NZ 3.99Å; D543-K545 PolarHBondContact OD2-NZ 3.28Å; D543-Y546 HydrophobicContact CB-CD2 3.89Å; D543-Y546 HydrophobicContact CB-CE2 4.03Å; D543-Y546 WeakPolarHBondContact O-CD2 3.27Å; D543-Y546 PolarHBondContact O-N 2.96Å; D543-Y546 VanDerWaalsContact O-N 3.09Å
544L87.9Confident92.5Very high105 Ų10536.2 Ų36.255%0.5517%0.173SC..G310 helixtrans-61-18.3-173.4-76167.9000113.5Y546 A547 F689L544-Y546 PolarHBondContact O-N 3.48Å; L544-Y546 VanDerWaalsContact O-N 3.1Å; L544-A547 WeakPolarHBondContact O-CB 3.36Å; L544-A547 PolarHBondContact O-N 3.38Å; L544-F689 HydrophobicContact CD2-CD2 4.4Å
545K89.2Confident92.4Very high118 Ų11837.3 Ų37.351%0.51319%0.186SC..G310 helixtrans-60.3-21.5174.480.8-170.1179.3-145.50113.4D543D543-K545 PolarHBondContact O-N 3.4Å; D543-K545 WeakPolarHBondContact OD1-CG 3.33Å; D543-K545 PolarHBondContact OD1-N 3.42Å; D543-K545 VanDerWaalsContact OD1-N 3.11Å; D543-K545 WeakPolarHBondContact OD2-CD 2.96Å; D543-K545 WeakPolarHBondContact OD2-CE 3.4Å; D543-K545 IonicContact OD2-NZ 3.99Å; D543-K545 PolarHBondContact OD2-NZ 3.28Å
546Y92.1Very high92.2Very high40 Ų4043.7 Ų43.716%0.15722%0.22CC..G310 helixtrans-94-0.5176.9-57.5-72.3000113.7D543 L544 V548 A549 L550 V613 L618 I638 L661D543-Y546 HydrophobicContact CB-CD2 3.89Å; D543-Y546 HydrophobicContact CB-CE2 4.03Å; D543-Y546 WeakPolarHBondContact O-CD2 3.27Å; D543-Y546 PolarHBondContact O-N 2.96Å; D543-Y546 VanDerWaalsContact O-N 3.09Å; L544-Y546 PolarHBondContact O-N 3.48Å; L544-Y546 VanDerWaalsContact O-N 3.1Å; Y546-V548 VanDerWaalsContact C-N 3.31Å; Y546-V548 PolarHBondContact O-N 2.87Å; Y546-A549 PolarHBondContact O-N 3.43Å; Y546-L550 WeakPolarHBondContact O-CG 3.37Å; Y546-L550 PolarHBondContact O-N 2.83Å; Y546-V613 HydrophobicContact CE1-CG2 4.46Å; Y546-L618 HydrophobicContact CD1-CD1 3.7Å; Y546-L618 HydrophobicContact CD2-CD1 3.92Å; Y546-L618 HydrophobicContact CD2-CD2 4.08Å; Y546-L618 HydrophobicContact CD2-CG 4.45Å; Y546-L618 HydrophobicContact CE1-CD1 4.06Å; Y546-L618 HydrophobicContact CE2-CD1 4.24Å; Y546-L618 HydrophobicContact CE2-CD2 3.84Å; Y546-L618 HydrophobicContact CG-CD1 3.62Å; Y546-I638 HydrophobicContact CD1-CG2 4.11Å; Y546-I638 HydrophobicContact CE1-CG2 4.4Å; Y546-L661 HydrophobicContact CD1-CD2 3.34Å; Y546-L661 HydrophobicContact CE1-CD2 3.52Å; Y546-L661 HydrophobicContact CG-CD2 4.47Å
547A91.7Very high92.3Very high2 Ų246.3 Ų46.32%0.01723%0.231CC..Hα-helixtrans-58.6-42.1-172.900000112.2L544 L550 E551 S683L544-A547 WeakPolarHBondContact O-CB 3.36Å; L544-A547 PolarHBondContact O-N 3.38Å; A547-L550 PolarHBondContact O-N 2.65Å; A547-E551 WeakPolarHBondContact O-CB 3.21Å; A547-E551 VanDerWaalsContact O-CG 3.27Å; A547-E551 WeakPolarHBondContact O-CG 3.12Å; A547-E551 PolarHBondContact O-N 2.89Å; A547-S683 WeakPolarHBondContact CB-OG 3.13Å
548V90.5Very high92.4Very high41 Ų4143.6 Ų43.625%0.24822%0.22CC..Hα-helixtrans-63.9-47.1178.6178.30000111.5Y546 L550 E551 V552Y546-V548 VanDerWaalsContact C-N 3.31Å; Y546-V548 PolarHBondContact O-N 2.87Å; V548-L550 VanDerWaalsContact C-N 3.33Å; V548-L550 PolarHBondContact O-N 3.45Å; V548-E551 WeakPolarHBondContact O-CB 3.3Å; V548-E551 PolarHBondContact O-N 3.02Å; V548-V552 WeakPolarHBondContact O-CG2 3.35Å; V548-V552 PolarHBondContact O-N 3.24Å
549A92.3Very high92.4Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-58.9-45.9176.300000111.1Y546 E551 V552 I553 I638 V659 T660Y546-A549 PolarHBondContact O-N 3.43Å; A549-E551 PolarHBondContact O-N 3.17Å; A549-V552 PolarHBondContact O-N 2.86Å; A549-I553 WeakPolarHBondContact O-CG1 3.17Å; A549-I553 PolarHBondContact O-N 2.73Å; A549-I638 HydrophobicContact CB-CD1 4Å; A549-I638 HydrophobicContact CB-CG1 4.17Å; A549-I638 HydrophobicContact CB-CG2 4.19Å; A549-V659 HydrophobicContact CB-CG1 4.17Å; A549-T660 WeakPolarHBondContact CB-O 3.49Å
550L94.8Very high92.5Very high0 Ų045.4 Ų45.40%023%0.227CC..Hα-helixtrans-66.6-35.3179.3-68.1169.5000112.7V541 Y546 A547 V548 I553 A554 A615 L618 I619 F633 I638 L685V541-L550 HydrophobicContact CB-CD1 4.2Å; V541-L550 HydrophobicContact CG1-CD1 3.6Å; V541-L550 HydrophobicContact CG2-CD1 3.55Å; Y546-L550 WeakPolarHBondContact O-CG 3.37Å; Y546-L550 PolarHBondContact O-N 2.83Å; A547-L550 PolarHBondContact O-N 2.65Å; V548-L550 VanDerWaalsContact C-N 3.33Å; V548-L550 PolarHBondContact O-N 3.45Å; L550-I553 PolarHBondContact O-N 3.49Å; L550-A554 WeakPolarHBondContact O-CB 3.22Å; L550-A554 PolarHBondContact O-N 3.4Å; L550-A615 HydrophobicContact CD2-CB 3.91Å; L550-L618 HydrophobicContact CD1-CB 4.34Å; L550-I619 HydrophobicContact CD1-CG2 3.79Å; L550-I619 HydrophobicContact CD2-CG2 4.19Å; L550-F633 HydrophobicContact CB-CE1 4.24Å; L550-F633 HydrophobicContact CD2-CD1 3.82Å; L550-F633 HydrophobicContact CD2-CE1 3.9Å; L550-I638 HydrophobicContact CD2-CD1 4.01Å; L550-I638 HydrophobicContact CG-CD1 4.33Å; L550-L685 HydrophobicContact CB-CD1 4.07Å
551E92.6Very high92.7Very high14 Ų1441.3 Ų41.37%0.06521%0.212CC..Hα-helixtrans-59.3-46.5171.6-80.3166.4-149.900111.9A547 V548 A549 G555 R677 S683 L684 L685A547-E551 WeakPolarHBondContact O-CB 3.21Å; A547-E551 VanDerWaalsContact O-CG 3.27Å; A547-E551 WeakPolarHBondContact O-CG 3.12Å; A547-E551 PolarHBondContact O-N 2.89Å; V548-E551 WeakPolarHBondContact O-CB 3.3Å; V548-E551 PolarHBondContact O-N 3.02Å; A549-E551 PolarHBondContact O-N 3.17Å; E551-G555 WeakPolarHBondContact O-CA 3Å; E551-G555 PolarHBondContact O-N 3.24Å; E551-R677 IonicContact OE2-NH1 3.45Å; E551-S683 VanDerWaalsContact OE1-C 3.31Å; E551-S683 WeakPolarHBondContact OE1-CB 3.4Å; E551-S683 PolarHBondContact OE1-OG 2.82Å; E551-L684 VanDerWaalsContact CD-N 3.28Å; E551-L684 HydrophobicContact CG-CB 4.27Å; E551-L684 PolarHBondContact OE1-N 3.08Å; E551-L684 PolarHBondContact OE2-N 3.46Å; E551-L684 VanDerWaalsContact OE2-N 3.15Å; E551-L685 HydrophobicContact CG-CB 4.09Å; E551-L685 HydrophobicContact CG-CD1 3.66Å; E551-L685 HydrophobicContact CG-CG 3.47Å; E551-L685 VanDerWaalsContact CG-CG 3.47Å; E551-L685 WeakPolarHBondContact OE1-CB 3.37Å; E551-L685 PolarHBondContact OE1-N 2.88Å
552V91.3Very high92.9Very high34 Ų3440.5 Ų40.521%0.20621%0.207CC..Hα-helixtrans-66.7-41.4179.8172.20000111V548 A549 V659 V665V548-V552 WeakPolarHBondContact O-CG2 3.35Å; V548-V552 PolarHBondContact O-N 3.24Å; A549-V552 PolarHBondContact O-N 2.86Å; V552-V659 HydrophobicContact CB-CG1 4.3Å; V552-V659 HydrophobicContact CG1-CG1 4.16Å; V552-V665 HydrophobicContact CG1-CG2 3.3Å
553I93.8Very high93.1Very high18 Ų1834.8 Ų34.89%0.09218%0.182CC..Hα-helixtrans-62.7-47.8179.2-69.7170.9000111.3A549 L550 A615 F633 V636 I638 V659A549-I553 WeakPolarHBondContact O-CG1 3.17Å; A549-I553 PolarHBondContact O-N 2.73Å; L550-I553 PolarHBondContact O-N 3.49Å; I553-A615 HydrophobicContact CD1-CB 3.61Å; I553-A615 HydrophobicContact CG2-CB 4.46Å; I553-F633 HydrophobicContact CB-CD1 4.37Å; I553-F633 HydrophobicContact CG2-CD1 3.7Å; I553-F633 HydrophobicContact CG2-CE1 4.32Å; I553-V636 HydrophobicContact CD1-CB 4.21Å; I553-V636 HydrophobicContact CD1-CG1 3.76Å; I553-V636 HydrophobicContact CG1-CB 4.33Å; I553-V636 HydrophobicContact CG1-CG1 3.8Å; I553-V636 HydrophobicContact CG2-CB 4.07Å; I553-V636 HydrophobicContact CG2-CG1 4.43Å; I553-V636 HydrophobicContact CG2-CG2 3.99Å; I553-I638 HydrophobicContact CD1-CD1 3.7Å; I553-I638 HydrophobicContact CD1-CG1 3.58Å; I553-V659 HydrophobicContact CD1-CB 4.16Å; I553-V659 HydrophobicContact CD1-CG2 4.21Å; I553-V659 HydrophobicContact CG1-CB 4.02Å; I553-V659 HydrophobicContact CG1-CG1 4.31Å; I553-V659 HydrophobicContact CG1-CG2 3.63Å
554A93.9Very high93.3Very high3 Ų333.9 Ų33.93%0.02518%0.177CC..Hα-helixtrans-73.3-41.5-179.800000111.5L550 N556 K557 L558 V632 F633L550-A554 WeakPolarHBondContact O-CB 3.22Å; L550-A554 PolarHBondContact O-N 3.4Å; A554-N556 PolarHBondContact O-N 2.73Å; A554-K557 WeakPolarHBondContact O-CA 3.34Å; A554-K557 WeakPolarHBondContact O-CB 3.4Å; A554-K557 VanDerWaalsContact O-CG 3.31Å; A554-K557 WeakPolarHBondContact O-CG 3.36Å; A554-K557 PolarHBondContact O-N 2.77Å; A554-L558 HydrophobicContact CB-CD1 4.18Å; A554-L558 HydrophobicContact CB-CD2 3.49Å; A554-L558 VanDerWaalsContact CB-CD2 3.49Å; A554-L558 HydrophobicContact CB-CG 3.49Å; A554-L558 VanDerWaalsContact CB-CG 3.49Å; A554-V632 HydrophobicContact CB-CG1 3.63Å; A554-F633 HydrophobicContact CB-CE1 3.78Å; A554-F633 HydrophobicContact CB-CZ 3.81Å
555G92.3Very high93.7Very high30 Ų3030.4 Ų30.431%0.30916%0.161SC..G310 helixtrans49.8-130.7-179.400000112E551 K557 L558E551-G555 WeakPolarHBondContact O-CA 3Å; E551-G555 PolarHBondContact O-N 3.24Å; G555-K557 PolarHBondContact O-N 2.96Å; G555-K557 VanDerWaalsContact O-N 3.11Å; G555-L558 WeakPolarHBondContact O-CB 3.47Å; G555-L558 WeakPolarHBondContact O-CG 3.09Å; G555-L558 PolarHBondContact O-N 3.49Å
556N91.5Very high94Very high134 Ų13428.7 Ų28.772%0.71715%0.154SC*.G310 helixtrans-63.1-18.1178.7-70.4-22000113.9A554 L558 H559A554-N556 PolarHBondContact O-N 2.73Å; N556-L558 PolarHBondContact O-N 3.49Å; N556-H559 PolarHBondContact O-N 3.16Å; N556-H559 VanDerWaalsContact O-N 3.12Å
557K94.9Very high94.1Very high55 Ų5530.1 Ų30.124%0.23917%0.167CC..G310 helixtrans-63.9-22.4177.4-55174.9-178.4176.80112.1V535 A554 G555 H559 N560 Y631 V632V535-K557 WeakPolarHBondContact CB-O 3.37Å; A554-K557 WeakPolarHBondContact O-CA 3.34Å; A554-K557 WeakPolarHBondContact O-CB 3.4Å; A554-K557 VanDerWaalsContact O-CG 3.31Å; A554-K557 WeakPolarHBondContact O-CG 3.36Å; A554-K557 PolarHBondContact O-N 2.77Å; G555-K557 PolarHBondContact O-N 2.96Å; G555-K557 VanDerWaalsContact O-N 3.11Å; K557-H559 PolarHBondContact O-N 2.7Å; K557-N560 WeakPolarHBondContact O-CB 3.22Å; K557-N560 PolarHBondContact O-N 3.28Å; K557-N560 VanDerWaalsContact O-N 3.09Å; K557-Y631 HydrophobicContact CD-CE1 4Å; K557-Y631 HydrophobicContact CG-CE1 4.48Å; K557-Y631 PolarHBondContact NZ-O 3.35Å; K557-V632 HydrophobicContact CB-CG1 4.32Å; K557-V632 HydrophobicContact CB-CG2 4.24Å; K557-V632 HydrophobicContact CD-CB 4.4Å; K557-V632 HydrophobicContact CD-CG1 4.2Å; K557-V632 HydrophobicContact CD-CG2 4.21Å
558L94.4Very high94.3Very high4 Ų430 Ų302%0.02117%0.166CC..G310 helixtrans-56-30.9173.5-71.8177.2000113V535 A536 F539 A554 G555 N556 L684 L685V535-L558 PolarHBondContact N-O 3.38Å; A536-L558 HydrophobicContact CB-CB 4.07Å; A536-L558 HydrophobicContact CB-CD2 4.07Å; A536-L558 WeakPolarHBondContact CB-O 3.39Å; A536-L558 PolarHBondContact N-O 2.96Å; F539-L558 HydrophobicContact CE1-CD2 3.98Å; F539-L558 HydrophobicContact CZ-CD2 4.11Å; A554-L558 HydrophobicContact CB-CD1 4.18Å; A554-L558 HydrophobicContact CB-CD2 3.49Å; A554-L558 VanDerWaalsContact CB-CD2 3.49Å; A554-L558 HydrophobicContact CB-CG 3.49Å; A554-L558 VanDerWaalsContact CB-CG 3.49Å; G555-L558 WeakPolarHBondContact O-CB 3.47Å; G555-L558 WeakPolarHBondContact O-CG 3.09Å; G555-L558 PolarHBondContact O-N 3.49Å; N556-L558 PolarHBondContact O-N 3.49Å; L558-L684 HydrophobicContact CD1-CD2 4.37Å; L558-L685 HydrophobicContact CD1-CD2 4.48Å; L558-L685 HydrophobicContact CD2-CD2 4.18Å
559H93.7Very high94.5Very high53 Ų5328.2 Ų28.225%0.24516%0.156CC..G310 helixtrans-89.8-6.8-178.5-53.9147.2000113.6N556 K557N556-H559 PolarHBondContact O-N 3.16Å; N556-H559 VanDerWaalsContact O-N 3.12Å; K557-H559 PolarHBondContact O-N 2.7Å
560N96.3Very high94.5Very high17 Ų1734.2 Ų34.29%0.09118%0.182CC..PPolyproline II helixtrans-71.1145.7179.5-65-8.3000110.2P534 V535 K557 T583 L585P534-N560 CarbonylContact C-O 3.56Å; P534-N560 VanDerWaalsContact CA-O 3.25Å; P534-N560 WeakPolarHBondContact CA-O 3.47Å; V535-N560 HydrophobicContact CG2-CB 4.41Å; V535-N560 PolarHBondContact N-O 3.29Å; K557-N560 WeakPolarHBondContact O-CB 3.22Å; K557-N560 PolarHBondContact O-N 3.28Å; K557-N560 VanDerWaalsContact O-N 3.09Å; N560-T583 WeakPolarHBondContact CA-O 3.37Å; N560-T583 WeakPolarHBondContact OD1-CB 3.27Å; N560-L585 HydrophobicContact CB-CD1 3.67Å; N560-L585 HydrophobicContact CB-CD2 4.42Å; N560-L585 HydrophobicContact CB-CG 3.88Å
561I96.2Very high94.5Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-101.1123.6-173.1-53.9-57.1000110F517 V531 P534 V563 T583 M584 L585F517-I561 HydrophobicContact CB-CD1 3.82Å; F517-I561 HydrophobicContact CD1-CD1 4.49Å; F517-I561 HydrophobicContact CD1-CG1 4.45Å; F517-I561 HydrophobicContact CD1-CG2 3.89Å; F517-I561 HydrophobicContact CD2-CD1 3.82Å; F517-I561 HydrophobicContact CD2-CG1 3.64Å; F517-I561 HydrophobicContact CE1-CG2 3.88Å; F517-I561 HydrophobicContact CE2-CG1 3.9Å; F517-I561 HydrophobicContact CG-CD1 3.78Å; F517-I561 HydrophobicContact CG-CG1 3.94Å; F517-I561 HydrophobicContact CG-CG2 4.22Å; F517-I561 HydrophobicContact CZ-CG1 4.41Å; F517-I561 HydrophobicContact CZ-CG2 4.2Å; V531-I561 HydrophobicContact CG1-CG2 3.96Å; P534-I561 HydrophobicContact CB-CD1 3.93Å; I561-V563 HydrophobicContact CG2-CG1 4.42Å; I561-T583 PolarHBondContact N-O 3.09Å; I561-M584 HydrophobicContact CB-SD 3.7Å; I561-M584 HydrophobicContact CG1-SD 4.3Å; I561-M584 HydrophobicContact CG2-CE 4.24Å; I561-M584 HydrophobicContact CG2-SD 3.99Å; I561-M584 CarbonylContact O-C 3.51Å; I561-M584 WeakPolarHBondContact O-CA 3.5Å; I561-L585 PolarHBondContact O-N 3.01Å
562V97.4Very high94.6Very high0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-85.6132.7176.6-175.40000109.9L532 G533 V535 L538 L585 L587 L625 V628L532-V562 HydrophobicContact CB-CB 4.14Å; L532-V562 HydrophobicContact CB-CG1 4.23Å; L532-V562 HydrophobicContact CD1-CG1 4.37Å; L532-V562 HydrophobicContact CD2-CG1 4.25Å; L532-V562 PolarHBondContact N-O 3.37Å; G533-V562 PolarHBondContact N-O 3.28Å; G533-V562 PolarHBondContact O-N 2.88Å; V535-V562 HydrophobicContact CG2-CG2 3.86Å; L538-V562 HydrophobicContact CD1-CB 3.75Å; L538-V562 HydrophobicContact CD1-CG1 4.47Å; L538-V562 HydrophobicContact CD1-CG2 3.55Å; V562-L585 WeakPolarHBondContact CA-O 3.39Å; V562-L585 HydrophobicContact CG2-CB 4.38Å; V562-L585 HydrophobicContact CG2-CD1 4.42Å; V562-L587 HydrophobicContact CG1-CD1 4.39Å; V562-L587 HydrophobicContact CG1-CD2 3.79Å; V562-L587 HydrophobicContact CG1-CG 3.91Å; V562-L625 HydrophobicContact CG1-CD2 4.08Å; V562-V628 HydrophobicContact CG1-CG2 4.07Å; V562-V628 HydrophobicContact CG2-CG1 3.95Å; V562-V628 HydrophobicContact CG2-CG2 4.21Å
563V96.7Very high94.8Very high0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-131.2156.9176.1-64.40000110.5R530 V531 I561 T565 T568 L572 M584 L585 P586 L587R530-V563 WeakPolarHBondContact O-CA 3.44Å; V531-V563 HydrophobicContact CG1-CG1 4.45Å; V531-V563 HydrophobicContact CG2-CG1 4.3Å; I561-V563 HydrophobicContact CG2-CG1 4.42Å; V563-T565 WeakPolarHBondContact CG2-O 3.46Å; V563-T565 PolarHBondContact O-N 2.68Å; V563-T568 HydrophobicContact CB-CG2 4.28Å; V563-T568 HydrophobicContact CG1-CG2 4.39Å; V563-L572 HydrophobicContact CG1-CD1 4.14Å; V563-M584 HydrophobicContact CG1-CE 3.47Å; V563-M584 VanDerWaalsContact CG1-CE 3.47Å; V563-L585 PolarHBondContact N-O 3.49Å; V563-L585 VanDerWaalsContact N-O 3.1Å; V563-P586 HydrophobicContact CG2-CB 4.07Å; V563-P586 WeakPolarHBondContact O-CA 3.35Å; V563-L587 WeakPolarHBondContact O-CG 3.23Å; V563-L587 PolarHBondContact O-N 3.4Å
564D95.8Very high94.8Very high43 Ų4342.9 Ų42.923%0.2322%0.224CC..SBendtrans-57.6-46.4179.465.3-20.9000113.3R530 T568R530-D564 HydrophobicContact CB-CB 4.49Å; R530-D564 VanDerWaalsContact CG-OD2 3.31Å; R530-D564 WeakPolarHBondContact CG-OD2 3.44Å; R530-D564 IonicContact CZ-OD2 3.89Å; R530-D564 IonicContact NE-OD1 2.74Å; R530-D564 IonicContact NE-OD2 2.73Å; R530-D564 PolarHBondContact NE-OD2 2.9Å; R530-D564 IonicContact NH2-OD2 2.59Å; R530-D564 PolarHBondContact O-N 2.93Å; D564-T568 WeakPolarHBondContact OD1-CB 3.45Å; D564-T568 PolarHBondContact OD1-OG1 3.01Å
565T96Very high94.7Very high32 Ų3249.8 Ų49.820%0.19625%0.249CC..  trans-142.8159.7-170.365.50000112.1V563 V567 T568 G569 P586 T588V563-T565 WeakPolarHBondContact CG2-O 3.46Å; V563-T565 PolarHBondContact O-N 2.68Å; T565-V567 PolarHBondContact O-N 3.21Å; T565-T568 PolarHBondContact O-N 3.35Å; T565-T568 PolarHBondContact OG1-N 2.97Å; T565-T568 PolarHBondContact OG1-OG1 3.09Å; T565-G569 PolarHBondContact O-N 2.69Å; T565-P586 VanDerWaalsContact C-CB 3.43Å; T565-T588 HydrophobicContact CG2-CG2 3.86Å
566E95.1Very high94.7Very high82 Ų8248.4 Ų48.438%0.38324%0.235SC..Hα-helixtrans-64-28.8174.574.1-70.8170.400112.5G569 K570 P586 T588 Q589E566-G569 PolarHBondContact O-N 3.15Å; E566-K570 WeakPolarHBondContact O-CB 3.36Å; E566-K570 PolarHBondContact O-N 3.25Å; E566-P586 HydrophobicContact CB-CB 4.07Å; E566-P586 HydrophobicContact CB-CG 4.15Å; E566-P586 VanDerWaalsContact N-CB 3.32Å; E566-T588 PolarHBondContact N-OG1 3.35Å; E566-T588 PolarHBondContact OE2-OG1 2.8Å; E566-Q589 HydrophobicContact CB-CG 4.15Å; E566-Q589 HydrophobicContact CG-CG 4.4Å
567V94.7Very high94.7Very high70 Ų7049.2 Ų49.242%0.42423%0.234SC..Hα-helixtrans-63.2-47176.1-1790000110.2T565 K570 I571T565-V567 PolarHBondContact O-N 3.21Å; V567-K570 PolarHBondContact O-N 3.43Å; V567-I571 HydrophobicContact CG1-CD1 3.77Å; V567-I571 HydrophobicContact CG1-CG1 4.49Å; V567-I571 WeakPolarHBondContact O-CB 3.17Å; V567-I571 WeakPolarHBondContact O-CG1 3.42Å; V567-I571 PolarHBondContact O-N 3.41Å
568T95.6Very high94.4Very high0 Ų048.3 Ų48.30%023%0.232CC..Hα-helixtrans-61.4-45.2175.8-52.40000111.4F526 R530 V531 V563 D564 T565 K570 I571 L572F526-T568 HydrophobicContact CE2-CG2 4.1Å; F526-T568 HydrophobicContact CZ-CG2 3.82Å; R530-T568 HydrophobicContact CB-CG2 3.86Å; R530-T568 PolarHBondContact NE-OG1 3.24Å; R530-T568 VanDerWaalsContact NE-OG1 3.15Å; R530-T568 PolarHBondContact NH2-OG1 3.07Å; V531-T568 HydrophobicContact CG2-CG2 4.47Å; V563-T568 HydrophobicContact CB-CG2 4.28Å; V563-T568 HydrophobicContact CG1-CG2 4.39Å; D564-T568 WeakPolarHBondContact OD1-CB 3.45Å; D564-T568 PolarHBondContact OD1-OG1 3.01Å; T565-T568 PolarHBondContact O-N 3.35Å; T565-T568 PolarHBondContact OG1-N 2.97Å; T565-T568 PolarHBondContact OG1-OG1 3.09Å; T568-K570 VanDerWaalsContact C-N 3.32Å; T568-K570 PolarHBondContact O-N 3.46Å; T568-I571 PolarHBondContact O-N 3.14Å; T568-L572 HydrophobicContact CG2-CD1 3.85Å; T568-L572 WeakPolarHBondContact O-CB 3.47Å; T568-L572 WeakPolarHBondContact O-CG 3.38Å; T568-L572 PolarHBondContact O-N 2.85Å
569G94.1Very high94Very high4 Ų459.4 Ų59.44%0.04127%0.273CS..Hα-helixtrans-57.4-44.7176.300000112.4T565 E566 L573T565-G569 PolarHBondContact O-N 2.69Å; E566-G569 PolarHBondContact O-N 3.15Å; G569-L573 VanDerWaalsContact O-CG 3.26Å; G569-L573 WeakPolarHBondContact O-CG 3.49Å; G569-L573 PolarHBondContact O-N 3.05Å; G569-L573 VanDerWaalsContact O-N 3.13Å
570K94Very high93.7Very high125 Ų12560.5 Ų60.554%0.54328%0.275SS..Hα-helixtrans-63.8-50.6177.7-177.2179.2175.9-178.50112.2E566 V567 T568 L572 L573 E574E566-K570 WeakPolarHBondContact O-CB 3.36Å; E566-K570 PolarHBondContact O-N 3.25Å; V567-K570 PolarHBondContact O-N 3.43Å; T568-K570 VanDerWaalsContact C-N 3.32Å; T568-K570 PolarHBondContact O-N 3.46Å; K570-L572 VanDerWaalsContact C-N 3.31Å; K570-L572 PolarHBondContact O-N 2.89Å; K570-L573 PolarHBondContact O-N 3.46Å; K570-E574 WeakPolarHBondContact CE-OE1 3.35Å; K570-E574 HydrophobicContact CG-CG 4.46Å; K570-E574 IonicContact NZ-OE1 3.91Å; K570-E574 WeakPolarHBondContact O-CG 3.39Å; K570-E574 PolarHBondContact O-N 3.02Å
571I94.9Very high93.3Very high30 Ų3071.4 Ų71.415%0.15432%0.315CS..Hα-helixtrans-62.9-38.6-177.4-70.1171.8000111.1P522 V567 T568 E574 R575P522-I571 HydrophobicContact CB-CG2 3.43Å; P522-I571 VanDerWaalsContact CB-CG2 3.43Å; P522-I571 HydrophobicContact CG-CG2 3.54Å; V567-I571 HydrophobicContact CG1-CD1 3.77Å; V567-I571 HydrophobicContact CG1-CG1 4.49Å; V567-I571 WeakPolarHBondContact O-CB 3.17Å; V567-I571 WeakPolarHBondContact O-CG1 3.42Å; V567-I571 PolarHBondContact O-N 3.41Å; T568-I571 PolarHBondContact O-N 3.14Å; I571-E574 PolarHBondContact O-N 3.2Å; I571-R575 WeakPolarHBondContact O-CB 3.14Å; I571-R575 PolarHBondContact O-N 3.02Å
572L94.9Very high93.1Very high0 Ų072.6 Ų72.60%032%0.322CS..Hα-helixtrans-65.5-40.3174.4-76.3166.1000112.9Y519 P522 F526 V531 V563 T568 K570 G576 I578 M584Y519-L572 HydrophobicContact CD2-CD2 3.33Å; Y519-L572 HydrophobicContact CE2-CD2 3.64Å; Y519-L572 HydrophobicContact CG-CD2 3.88Å; P522-L572 HydrophobicContact CG-CD2 4.01Å; P522-L572 HydrophobicContact CG-CG 4.46Å; F526-L572 HydrophobicContact CE1-CD2 4.37Å; F526-L572 HydrophobicContact CZ-CD1 4.38Å; F526-L572 HydrophobicContact CZ-CD2 4.23Å; F526-L572 HydrophobicContact CZ-CG 4.35Å; V531-L572 HydrophobicContact CG2-CD1 3.47Å; V531-L572 VanDerWaalsContact CG2-CD1 3.47Å; V563-L572 HydrophobicContact CG1-CD1 4.14Å; T568-L572 HydrophobicContact CG2-CD1 3.85Å; T568-L572 WeakPolarHBondContact O-CB 3.47Å; T568-L572 WeakPolarHBondContact O-CG 3.38Å; T568-L572 PolarHBondContact O-N 2.85Å; K570-L572 VanDerWaalsContact C-N 3.31Å; K570-L572 PolarHBondContact O-N 2.89Å; L572-G576 WeakPolarHBondContact O-CA 3.38Å; L572-G576 PolarHBondContact O-N 3.4Å; L572-I578 WeakPolarHBondContact O-CD1 3.28Å; L572-M584 HydrophobicContact CB-CE 3.92Å; L572-M584 HydrophobicContact CD1-CE 3.44Å; L572-M584 VanDerWaalsContact CD1-CE 3.44Å; L572-M584 HydrophobicContact CG-CE 4.34Å
573L93.8Very high93Very high103 Ų10376.1 Ų76.154%0.53934%0.344SS..Hα-helixtrans-67.8-37.2177-71.9169.2000112.2G569 K570 I578 V582 M584G569-L573 VanDerWaalsContact O-CG 3.26Å; G569-L573 WeakPolarHBondContact O-CG 3.49Å; G569-L573 PolarHBondContact O-N 3.05Å; G569-L573 VanDerWaalsContact O-N 3.13Å; K570-L573 PolarHBondContact O-N 3.46Å; L573-I578 HydrophobicContact CD2-CD1 4.19Å; L573-V582 HydrophobicContact CD2-CG2 4.06Å; L573-M584 HydrophobicContact CD1-CG 4.16Å; L573-M584 HydrophobicContact CD2-CG 4.31Å; L573-M584 HydrophobicContact CG-CG 4.15Å
574E93.5Very high92.9Very high116 Ų11677.3 Ų77.354%0.54235%0.35SS..Hα-helixtrans-78.6-39.4-178.9-71.9177.2176.900113K570 I571K570-E574 WeakPolarHBondContact CE-OE1 3.35Å; K570-E574 HydrophobicContact CG-CG 4.46Å; K570-E574 IonicContact NZ-OE1 3.91Å; K570-E574 WeakPolarHBondContact O-CG 3.39Å; K570-E574 PolarHBondContact O-N 3.02Å; I571-E574 PolarHBondContact O-N 3.2Å
575R93.8Very high93Very high148 Ų14875.6 Ų75.656%0.55834%0.34SS*.Hα-helixtrans-125.9-9.5-167.8-59.8-179.1-173.6178.20.9114.7P522 I571 Q577P522-R575 HydrophobicContact CB-CB 3.66Å; P522-R575 WeakPolarHBondContact O-CD 3.35Å; I571-R575 WeakPolarHBondContact O-CB 3.14Å; I571-R575 PolarHBondContact O-N 3.02Å; R575-Q577 VanDerWaalsContact C-N 3.25Å; R575-Q577 PolarHBondContact O-N 3.24Å
576G91.1Very high93Very high0 Ų075.2 Ų75.20%034%0.338CS..SBendtrans-75.8-4.7-176.700000115.4Y519 T520 L572 I578Y519-G576 WeakPolarHBondContact CA-O 3.39Å; T520-G576 PolarHBondContact N-O 3.38Å; T520-G576 WeakPolarHBondContact O-CA 3.42Å; L572-G576 WeakPolarHBondContact O-CA 3.38Å; L572-G576 PolarHBondContact O-N 3.4Å; G576-I578 VanDerWaalsContact C-N 3.28Å; G576-I578 PolarHBondContact O-N 2.76Å
577Q91.3Very high93.1Very high151 Ų15172.8 Ų72.871%0.70633%0.328SS*.  trans51.343.4-180-59.1-172.2-1100113.8R575 R579R575-Q577 VanDerWaalsContact C-N 3.25Å; R575-Q577 PolarHBondContact O-N 3.24Å; Q577-R579 PolarHBondContact O-N 2.95Å
578I89.6Confident93Very high37 Ų3773.1 Ų73.119%0.1933%0.33CS..  trans-68.4126.8-175.8-51.7167.3000109.4F517 L572 L573 G576 R580 V582F517-I578 HydrophobicContact CE2-CD1 4.05Å; F517-I578 HydrophobicContact CE2-CG1 4.35Å; F517-I578 HydrophobicContact CE2-CG2 4.12Å; F517-I578 HydrophobicContact CZ-CD1 4.01Å; F517-I578 HydrophobicContact CZ-CG1 4.45Å; L572-I578 WeakPolarHBondContact O-CD1 3.28Å; L573-I578 HydrophobicContact CD2-CD1 4.19Å; G576-I578 VanDerWaalsContact C-N 3.28Å; G576-I578 PolarHBondContact O-N 2.76Å; I578-R580 VanDerWaalsContact C-N 3.31Å; I578-R580 WeakPolarHBondContact CG2-O 3.36Å; I578-R580 PolarHBondContact O-N 3.17Å; I578-V582 HydrophobicContact CD1-CG2 3.85Å; I578-V582 HydrophobicContact CG2-CG1 3.96Å; I578-V582 HydrophobicContact CG2-CG2 4.01Å
579R85.5Confident92.9Very high236 Ų23678.7 Ų78.789%0.89136%0.356SS*.SBendtrans-78.4-10.6-172.3-63.4-175-179.8-171.21.2115.2Q577Q577-R579 PolarHBondContact O-N 2.95Å
580R86.8Confident92.9Very high77 Ų7779.8 Ų79.829%0.29136%0.361SS..SBendtrans-137.9159.7-176.266.1-178.4176.1124.7-4.2110.9Q514 V516 I578 V582Q514-R580 PolarHBondContact O-NH1 3.33Å; Q514-R580 PolarHBondContact O-NH2 3.44Å; V516-R580 PolarHBondContact O-NH2 3.2Å; I578-R580 VanDerWaalsContact C-N 3.31Å; I578-R580 WeakPolarHBondContact CG2-O 3.36Å; I578-R580 PolarHBondContact O-N 3.17Å; R580-V582 HydrophobicContact CG-CG1 3.94Å; R580-V582 PolarHBondContact O-N 3.38Å
581R89.6Confident92.8Very high246 Ų24683.8 Ų83.893%0.92837%0.372SS*.  trans-65.8124.8172.1-169.1171.8-177.5-170.6-0109.2
582V91.5Very high92.5Very high24 Ų2482.9 Ų82.915%0.14537%0.371CS..  trans-129.1154.1178.2-65.10000110.2F517 L573 I578 R580 M584F517-V582 HydrophobicContact CD2-CG1 4.33Å; F517-V582 HydrophobicContact CE2-CG1 4.14Å; F517-V582 HydrophobicContact CE2-CG2 4.23Å; L573-V582 HydrophobicContact CD2-CG2 4.06Å; I578-V582 HydrophobicContact CD1-CG2 3.85Å; I578-V582 HydrophobicContact CG2-CG1 3.96Å; I578-V582 HydrophobicContact CG2-CG2 4.01Å; R580-V582 HydrophobicContact CG-CG1 3.94Å; R580-V582 PolarHBondContact O-N 3.38Å; V582-M584 HydrophobicContact CG2-SD 4.22Å
583T95.1Very high92.3Very high75 Ų7589.4 Ų89.446%0.4641%0.406SS..  trans-112125171.8-52.90000107.8N560 I561 L585N560-T583 WeakPolarHBondContact CA-O 3.37Å; N560-T583 WeakPolarHBondContact OD1-CB 3.27Å; I561-T583 PolarHBondContact N-O 3.09Å; T583-L585 HydrophobicContact CG2-CD2 4.41Å
584M95.2Very high92.2Very high25 Ų2587.5 Ų87.512%0.12340%0.399CS..EExtended strand (participates in β ladder)trans-96136.4179.2-55-63.4-91.700109.9F517 I561 V563 L572 L573 V582 P586F517-M584 HydrophobicContact CE1-CE 4.46Å; F517-M584 HydrophobicContact CZ-CE 4.01Å; F517-M584 HydrophobicContact CZ-SD 4.18Å; I561-M584 HydrophobicContact CB-SD 3.7Å; I561-M584 HydrophobicContact CG1-SD 4.3Å; I561-M584 HydrophobicContact CG2-CE 4.24Å; I561-M584 HydrophobicContact CG2-SD 3.99Å; I561-M584 CarbonylContact O-C 3.51Å; I561-M584 WeakPolarHBondContact O-CA 3.5Å; V563-M584 HydrophobicContact CG1-CE 3.47Å; V563-M584 VanDerWaalsContact CG1-CE 3.47Å; L572-M584 HydrophobicContact CB-CE 3.92Å; L572-M584 HydrophobicContact CD1-CE 3.44Å; L572-M584 VanDerWaalsContact CD1-CE 3.44Å; L572-M584 HydrophobicContact CG-CE 4.34Å; L573-M584 HydrophobicContact CD1-CG 4.16Å; L573-M584 HydrophobicContact CD2-CG 4.31Å; L573-M584 HydrophobicContact CG-CG 4.15Å; V582-M584 HydrophobicContact CG2-SD 4.22Å; M584-P586 WeakPolarHBondContact O-CD 3.29Å
585L96.7Very high92.2Very high6 Ų682.7 Ų82.73%0.03138%0.377CS..EExtended strand (participates in β ladder)trans-115.389.2178.7-57.2-179.2000109.1V535 N560 I561 V562 V563 T583 L587 I590 V628 Y631V535-L585 HydrophobicContact CG2-CD1 3.74Å; N560-L585 HydrophobicContact CB-CD1 3.67Å; N560-L585 HydrophobicContact CB-CD2 4.42Å; N560-L585 HydrophobicContact CB-CG 3.88Å; I561-L585 PolarHBondContact O-N 3.01Å; V562-L585 WeakPolarHBondContact CA-O 3.39Å; V562-L585 HydrophobicContact CG2-CB 4.38Å; V562-L585 HydrophobicContact CG2-CD1 4.42Å; V563-L585 PolarHBondContact N-O 3.49Å; V563-L585 VanDerWaalsContact N-O 3.1Å; T583-L585 HydrophobicContact CG2-CD2 4.41Å; L585-L587 PolarHBondContact O-N 3.35Å; L585-I590 HydrophobicContact CD2-CD1 4.09Å; L585-V628 HydrophobicContact CD1-CG1 4.07Å; L585-Y631 HydrophobicContact CD2-CE1 4.23Å
586P97Very high92.2Very high24 Ų2479.1 Ų79.116%0.15638%0.375CS..EExtended strand (participates in β ladder)trans-72.1124.8177.427.4-33.1000111.6V563 T565 E566 M584 T588 Q589 I590V563-P586 HydrophobicContact CG2-CB 4.07Å; V563-P586 WeakPolarHBondContact O-CA 3.35Å; T565-P586 VanDerWaalsContact C-CB 3.43Å; E566-P586 HydrophobicContact CB-CB 4.07Å; E566-P586 HydrophobicContact CB-CG 4.15Å; E566-P586 VanDerWaalsContact N-CB 3.32Å; M584-P586 WeakPolarHBondContact O-CD 3.29Å; P586-T588 PolarHBondContact O-N 2.87Å; P586-Q589 HydrophobicContact CG-CB 4.12Å; P586-Q589 PolarHBondContact O-N 2.89Å; P586-Q589 VanDerWaalsContact O-N 3.12Å; P586-I590 WeakPolarHBondContact O-CB 3.36Å; P586-I590 WeakPolarHBondContact O-CG2 3.4Å; P586-I590 PolarHBondContact O-N 3.17Å
587L95.5Very high92.2Very high32 Ų3284.8 Ų84.817%0.16841%0.405CS..THydrogen-bonded Turntrans-59.4-29.6-178.4-69.6173.6000113.1L532 V562 V563 L585 Q589 V624 L625 V628L532-L587 HydrophobicContact CD1-CD1 4.18Å; L532-L587 HydrophobicContact CD2-CD1 4.05Å; V562-L587 HydrophobicContact CG1-CD1 4.39Å; V562-L587 HydrophobicContact CG1-CD2 3.79Å; V562-L587 HydrophobicContact CG1-CG 3.91Å; V563-L587 WeakPolarHBondContact O-CG 3.23Å; V563-L587 PolarHBondContact O-N 3.4Å; L585-L587 PolarHBondContact O-N 3.35Å; L587-Q589 VanDerWaalsContact C-N 3.34Å; L587-Q589 PolarHBondContact O-N 2.85Å; L587-V624 HydrophobicContact CD1-CG1 3.95Å; L587-L625 HydrophobicContact CD2-CD2 4.41Å; L587-V628 HydrophobicContact CD2-CG2 3.62Å
588T94Very high92.2Very high76 Ų7680 Ų8047%0.46640%0.396SS..THydrogen-bonded Turntrans-68.1-26.2177.747.90000114.6T565 E566 P586T565-T588 HydrophobicContact CG2-CG2 3.86Å; E566-T588 PolarHBondContact N-OG1 3.35Å; E566-T588 PolarHBondContact OE2-OG1 2.8Å; P586-T588 PolarHBondContact O-N 2.87Å
589Q92.2Very high92.4Very high118 Ų11879.4 Ų79.455%0.55139%0.394SS*.THydrogen-bonded Turntrans-120.2-23.5-171.4-63.3-71.61.100113.5E566 P586 L587 R591E566-Q589 HydrophobicContact CB-CG 4.15Å; E566-Q589 HydrophobicContact CG-CG 4.4Å; P586-Q589 HydrophobicContact CG-CB 4.12Å; P586-Q589 PolarHBondContact O-N 2.89Å; P586-Q589 VanDerWaalsContact O-N 3.12Å; L587-Q589 VanDerWaalsContact C-N 3.34Å; L587-Q589 PolarHBondContact O-N 2.85Å; Q589-R591 PolarHBondContact O-N 2.97Å
590I95Very high92.7Very high26 Ų2669.6 Ų69.613%0.13336%0.359CS..  trans-67.5132.3-178.8-164.863.1000110.3L585 P586 P627 V628 Y631L585-I590 HydrophobicContact CD2-CD1 4.09Å; P586-I590 WeakPolarHBondContact O-CB 3.36Å; P586-I590 WeakPolarHBondContact O-CG2 3.4Å; P586-I590 PolarHBondContact O-N 3.17Å; I590-P627 HydrophobicContact CG2-CB 3.89Å; I590-P627 WeakPolarHBondContact O-CB 3.24Å; I590-V628 HydrophobicContact CG2-CG2 3.72Å; I590-Y631 HydrophobicContact CD1-CD1 4.02Å; I590-Y631 HydrophobicContact CD1-CD2 3.83Å; I590-Y631 HydrophobicContact CD1-CE1 4.36Å; I590-Y631 HydrophobicContact CD1-CE2 4.19Å; I590-Y631 HydrophobicContact CD1-CG 3.74Å; I590-Y631 HydrophobicContact CG1-CD1 4.36Å; I590-Y631 HydrophobicContact CG1-CG 4.04Å
591R91.7Very high93Very high209 Ų20972.8 Ų72.879%0.78938%0.375SS*.  trans-131.3132.1176.3-64.8-174.5-177.6-168.30.3109.4Q589Q589-R591 PolarHBondContact O-N 2.97Å
592G89.2Confident93.1Very high11 Ų1164.6 Ų64.611%0.11335%0.35CS..  trans-92.7156.1167.100000111.5P594G592-P594 VanDerWaalsContact C-CD 3.49Å; G592-P594 WeakPolarHBondContact O-CD 3.38Å
593N89.6Confident93.2Very high138 Ų13863.5 Ų63.574%0.73834%0.343SS*.  trans-115.381.5170.4-80.8-15.5000108
594P93.4Very high93.2Very high63 Ų6363.2 Ų63.241%0.40934%0.337SS..PPolyproline II helixtrans-63.5149.217826.8-32.9000111.1G592 S596 E630 G634G592-P594 VanDerWaalsContact C-CD 3.49Å; G592-P594 WeakPolarHBondContact O-CD 3.38Å; P594-S596 PolarHBondContact O-N 3.16Å; P594-E630 HydrophobicContact CB-CG 4.48Å; P594-E630 HydrophobicContact CG-CG 4.41Å; P594-G634 CarbonylContact C-O 3.58Å; P594-G634 WeakPolarHBondContact CA-O 3.38Å
595I93.5Very high93Very high15 Ų1566.4 Ų66.48%0.07736%0.362CS..PPolyproline II helixtrans-62.3133.1174.9-59.5165.2000108.9V599 I600 G634 L637 K656I595-V599 HydrophobicContact CG2-CB 3.75Å; I595-V599 HydrophobicContact CG2-CG1 3.68Å; I595-I600 HydrophobicContact CB-CG1 4.28Å; I595-I600 HydrophobicContact CG2-CD1 4.46Å; I595-I600 HydrophobicContact CG2-CG1 3.74Å; I595-G634 WeakPolarHBondContact CG1-O 3.32Å; I595-G634 PolarHBondContact N-O 2.84Å; I595-L637 HydrophobicContact CD1-CD1 4.37Å; I595-L637 HydrophobicContact CD1-CD2 3.55Å; I595-L637 HydrophobicContact CD1-CG 3.57Å; I595-K656 HydrophobicContact CD1-CB 4.49Å; I595-K656 HydrophobicContact CD1-CG 4.22Å; I595-K656 HydrophobicContact CG1-CD 4.28Å; I595-K656 HydrophobicContact CG1-CG 4.22Å; I595-K656 HydrophobicContact CG2-CG 4.41Å
596S92.5Very high92.8Very high72 Ų7269.6 Ų69.650%0.50338%0.378SS..PPolyproline II helixtrans-70.8147.7178.462.50000112P594 G598 V599 I600P594-S596 PolarHBondContact O-N 3.16Å; S596-G598 PolarHBondContact O-N 3.2Å; S596-G598 VanDerWaalsContact O-N 3.12Å; S596-V599 PolarHBondContact O-N 3.35Å; S596-V599 WeakPolarHBondContact OG-CG2 3.31Å; S596-I600 PolarHBondContact O-N 3.37Å; S596-I600 VanDerWaalsContact O-N 3.1Å
597D90.7Very high92.5Very high119 Ų11969.5 Ų69.564%0.63638%0.377SS*.Hα-helixtrans-55.9-32.7-179.9-71.5-10.9000113.5I600 K601D597-I600 PolarHBondContact O-N 3.07Å; D597-K601 WeakPolarHBondContact O-CB 3.46Å; D597-K601 WeakPolarHBondContact O-CG 3.39Å; D597-K601 PolarHBondContact O-N 3.07Å
598G92.4Very high92.1Very high51 Ų5169.4 Ų69.453%0.52638%0.384SS..Hα-helixtrans-62.2-42.1175.600000112.6S596 N602S596-G598 PolarHBondContact O-N 3.2Å; S596-G598 VanDerWaalsContact O-N 3.12Å; G598-N602 PolarHBondContact O-N 3.46Å
599V92.9Very high91.9Very high24 Ų2468.7 Ų68.715%0.14539%0.386CS..Hα-helixtrans-70.5-38.8177.6175.20000110.8I595 S596 N602 A603 I654 K656I595-V599 HydrophobicContact CG2-CB 3.75Å; I595-V599 HydrophobicContact CG2-CG1 3.68Å; S596-V599 PolarHBondContact O-N 3.35Å; S596-V599 WeakPolarHBondContact OG-CG2 3.31Å; V599-N602 PolarHBondContact O-N 3.5Å; V599-A603 PolarHBondContact O-N 3.45Å; V599-I654 HydrophobicContact CG1-CB 4.33Å; V599-I654 HydrophobicContact CG1-CG2 3.79Å; V599-K656 HydrophobicContact CG1-CG 4.03Å
600I92.7Very high91.7Very high30 Ų3068.1 Ų68.115%0.15440%0.395CS..Hα-helixtrans-60.8-48.4175.5-61.3169.2000110.1I595 S596 D597 N602 A603 Q604 T614I595-I600 HydrophobicContact CB-CG1 4.28Å; I595-I600 HydrophobicContact CG2-CD1 4.46Å; I595-I600 HydrophobicContact CG2-CG1 3.74Å; S596-I600 PolarHBondContact O-N 3.37Å; S596-I600 VanDerWaalsContact O-N 3.1Å; D597-I600 PolarHBondContact O-N 3.07Å; I600-N602 VanDerWaalsContact C-N 3.29Å; I600-N602 PolarHBondContact O-N 3.28Å; I600-A603 PolarHBondContact O-N 2.89Å; I600-A603 VanDerWaalsContact O-N 3.16Å; I600-Q604 HydrophobicContact CG2-CG 4.34Å; I600-Q604 VanDerWaalsContact O-CG 3.29Å; I600-Q604 WeakPolarHBondContact O-CG 3.47Å; I600-Q604 PolarHBondContact O-N 2.84Å; I600-T614 HydrophobicContact CD1-CG2 3.58Å; I600-T614 HydrophobicContact CG1-CG2 3.93Å
601K92.5Very high91.6Very high145 Ų14569.7 Ų69.763%0.6340%0.403SS*.Hα-helixtrans-60.1-39.1176.8-74.9179.2-178.7-179.50112.3D597 Q604 S605D597-K601 WeakPolarHBondContact O-CB 3.46Å; D597-K601 WeakPolarHBondContact O-CG 3.39Å; D597-K601 PolarHBondContact O-N 3.07Å; K601-Q604 PolarHBondContact O-N 2.87Å; K601-S605 PolarHBondContact O-N 3.1Å; K601-S605 PolarHBondContact O-OG 3.17Å
602N92.7Very high91.7Very high74 Ų7459.9 Ų59.940%0.39637%0.367SS..Hα-helixtrans-65.3-39.1176-122.110.1000112.4G598 V599 I600 S605 L606 I654G598-N602 PolarHBondContact O-N 3.46Å; V599-N602 PolarHBondContact O-N 3.5Å; I600-N602 VanDerWaalsContact C-N 3.29Å; I600-N602 PolarHBondContact O-N 3.28Å; N602-S605 PolarHBondContact O-OG 3.3Å; N602-L606 WeakPolarHBondContact O-CB 3.37Å; N602-L606 PolarHBondContact O-N 3.45Å; N602-I654 HydrophobicContact CB-CG1 4.24Å
603A93.2Very high91.9Very high0 Ų061.5 Ų61.50%037%0.374CS..Hα-helixtrans-66.5-42.7174.100000111.4V599 I600 S605 L606 V607 V612 L637 I648 I654V599-A603 PolarHBondContact O-N 3.45Å; I600-A603 PolarHBondContact O-N 2.89Å; I600-A603 VanDerWaalsContact O-N 3.16Å; A603-S605 PolarHBondContact O-N 3.19Å; A603-L606 PolarHBondContact O-N 2.92Å; A603-V607 VanDerWaalsContact O-CG2 3.31Å; A603-V607 WeakPolarHBondContact O-CG2 3.49Å; A603-V607 PolarHBondContact O-N 3.21Å; A603-V607 VanDerWaalsContact O-N 3.13Å; A603-V612 HydrophobicContact CB-CG1 4.16Å; A603-V612 HydrophobicContact CB-CG2 4.16Å; A603-L637 HydrophobicContact CB-CD1 4.18Å; A603-I648 HydrophobicContact CB-CG2 4.36Å; A603-I654 HydrophobicContact CB-CD1 3.81Å
604Q94.2Very high92.2Very high70 Ų7056.2 Ų56.233%0.32735%0.347SS..Hα-helixtrans-66.4-35.1178.5-69.2177.4-22.500112.7I600 K601 G608 A609 V612I600-Q604 HydrophobicContact CG2-CG 4.34Å; I600-Q604 VanDerWaalsContact O-CG 3.29Å; I600-Q604 WeakPolarHBondContact O-CG 3.47Å; I600-Q604 PolarHBondContact O-N 2.84Å; K601-Q604 PolarHBondContact O-N 2.87Å; Q604-G608 CarbonylContact O-C 3.59Å; Q604-G608 WeakPolarHBondContact O-CA 3.45Å; Q604-G608 PolarHBondContact O-N 3.37Å; Q604-A609 HydrophobicContact CB-CB 4.35Å; Q604-A609 HydrophobicContact CG-CB 4.24Å; Q604-V612 HydrophobicContact CB-CG1 4.34Å; Q604-V612 HydrophobicContact CG-CG1 3.64Å
605S91.8Very high92.3Very high92 Ų9253.2 Ų53.264%0.64333%0.328SS*.Hα-helixtrans-70.9-31.9174.463.10000112.4K601 N602 A603K601-S605 PolarHBondContact O-N 3.1Å; K601-S605 PolarHBondContact O-OG 3.17Å; N602-S605 PolarHBondContact O-OG 3.3Å; A603-S605 PolarHBondContact O-N 3.19Å
606L91.9Very high92.3Very high72 Ų7254 Ų5438%0.37733%0.332SS..Hα-helixtrans-71.7-43.6179.8-176.666.4000112.9N602 A603 I648 H651 I654N602-L606 WeakPolarHBondContact O-CB 3.37Å; N602-L606 PolarHBondContact O-N 3.45Å; A603-L606 PolarHBondContact O-N 2.92Å; L606-I648 HydrophobicContact CD2-CG1 4.47Å; L606-H651 HydrophobicContact CD2-CB 4.15Å; L606-I654 HydrophobicContact CD2-CD1 4Å
607V91.4Very high92.4Very high22 Ų2252.9 Ų52.913%0.13332%0.324CS..Hα-helixtrans-121.7-4.6-171.6-58.30000114.9A603 N611 V612 V644 I648A603-V607 VanDerWaalsContact O-CG2 3.31Å; A603-V607 WeakPolarHBondContact O-CG2 3.49Å; A603-V607 PolarHBondContact O-N 3.21Å; A603-V607 VanDerWaalsContact O-N 3.13Å; V607-N611 HydrophobicContact CB-CB 4.3Å; V607-N611 HydrophobicContact CG2-CB 4Å; V607-N611 WeakPolarHBondContact O-CB 3.37Å; V607-N611 PolarHBondContact O-ND2 3.18Å; V607-V612 HydrophobicContact CG2-CB 4.02Å; V607-V612 HydrophobicContact CG2-CG1 3.93Å; V607-V644 HydrophobicContact CB-CG1 4.04Å; V607-V644 HydrophobicContact CG1-CG1 4.04Å; V607-V644 HydrophobicContact CG2-CG1 4.02Å; V607-I648 HydrophobicContact CB-CD1 4.46Å; V607-I648 HydrophobicContact CG1-CD1 4.08Å; V607-I648 HydrophobicContact CG1-CG1 3.84Å; V607-I648 HydrophobicContact CG2-CD1 3.59Å; V607-I648 HydrophobicContact CG2-CG1 4.22Å
608G87.8Confident92.5Very high30 Ų3048 Ų4831%0.30930%0.298SS..  trans89.6142.6-172.400000112.8Q604 S610 N611Q604-G608 CarbonylContact O-C 3.59Å; Q604-G608 WeakPolarHBondContact O-CA 3.45Å; Q604-G608 PolarHBondContact O-N 3.37Å; G608-S610 PolarHBondContact O-N 3.32Å; G608-N611 PolarHBondContact O-N 2.7Å
609A88.5Confident92.7Very high62 Ų6245.8 Ų45.851%0.51227%0.274SS..G310 helixtrans-63.1-25.9-174.500000114.5Q604 N611Q604-A609 HydrophobicContact CB-CB 4.35Å; Q604-A609 HydrophobicContact CG-CB 4.24Å; A609-N611 VanDerWaalsContact C-N 3.28Å; A609-N611 PolarHBondContact O-N 3.17Å
610S88.2Confident92.8Very high106 Ų10649.9 Ų49.974%0.74129%0.291SS*.G310 helixtrans-72.2-20.5175.954.90000113.6G608G608-S610 PolarHBondContact O-N 3.32Å
611N92.7Very high92.9Very high58 Ų5851.6 Ų51.631%0.3130%0.297SS..G310 helixtrans-100.50-171.5-64.5-22.9000112.9V607 G608 A609 P640 V644V607-N611 HydrophobicContact CB-CB 4.3Å; V607-N611 HydrophobicContact CG2-CB 4Å; V607-N611 WeakPolarHBondContact O-CB 3.37Å; V607-N611 PolarHBondContact O-ND2 3.18Å; G608-N611 PolarHBondContact O-N 2.7Å; A609-N611 VanDerWaalsContact C-N 3.28Å; A609-N611 PolarHBondContact O-N 3.17Å; N611-P640 HydrophobicContact CB-CG 4.28Å; N611-P640 WeakPolarHBondContact O-CD 3.25Å; N611-V644 HydrophobicContact CB-CG1 4.22Å
612V93.8Very high93Very high3 Ų349.6 Ų49.62%0.01829%0.293CS..  trans-147.1126.3178.665.70000111.6A603 Q604 V607 L637 I638 I648A603-V612 HydrophobicContact CB-CG1 4.16Å; A603-V612 HydrophobicContact CB-CG2 4.16Å; Q604-V612 HydrophobicContact CB-CG1 4.34Å; Q604-V612 HydrophobicContact CG-CG1 3.64Å; V607-V612 HydrophobicContact CG2-CB 4.02Å; V607-V612 HydrophobicContact CG2-CG1 3.93Å; V612-L637 HydrophobicContact CG2-CB 4.04Å; V612-L637 HydrophobicContact CG2-CD1 3.95Å; V612-L637 HydrophobicContact CG2-CD2 4Å; V612-L637 HydrophobicContact CG2-CG 4.2Å; V612-I638 WeakPolarHBondContact CA-O 3.27Å; V612-I648 HydrophobicContact CB-CD1 3.94Å; V612-I648 HydrophobicContact CG2-CD1 3.81Å
613V94.4Very high93.1Very high45 Ų4552 Ų5227%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-135.2148.4177.9-105.20000110Y546 L618 I638Y546-V613 HydrophobicContact CE1-CG2 4.46Å; V613-L618 HydrophobicContact CB-CD2 4.49Å; V613-L618 HydrophobicContact CG2-CD1 4.44Å; V613-I638 PolarHBondContact N-O 3.48Å; V613-I638 VanDerWaalsContact N-O 3.1Å; V613-I638 PolarHBondContact O-N 2.93Å
614T95.3Very high93.1Very high28 Ų2856.3 Ų56.317%0.17233%0.332CS..EExtended strand (participates in β ladder)trans-78.9137.2173.960.30000109.7I600 L616 S617 L637I600-T614 HydrophobicContact CD1-CG2 3.58Å; I600-T614 HydrophobicContact CG1-CG2 3.93Å; T614-L616 PolarHBondContact O-N 3.47Å; T614-S617 PolarHBondContact O-N 3.24Å; T614-S617 PolarHBondContact O-OG 3.44Å; T614-S617 VanDerWaalsContact OG1-CB 3.31Å; T614-S617 WeakPolarHBondContact OG1-CB 3.37Å; T614-S617 PolarHBondContact OG1-N 3.41Å; T614-S617 PolarHBondContact OG1-OG 2.92Å; T614-L637 HydrophobicContact CG2-CD2 3.86Å
615A95Very high93.2Very high0 Ų053.4 Ų53.40%032%0.318CS..G310 helixtrans-59.4-35.7179.200000112.5L550 I553 S617 L618 F633 V636 I638L550-A615 HydrophobicContact CD2-CB 3.91Å; I553-A615 HydrophobicContact CD1-CB 3.61Å; I553-A615 HydrophobicContact CG2-CB 4.46Å; A615-S617 VanDerWaalsContact C-N 3.26Å; A615-S617 PolarHBondContact O-N 2.85Å; A615-L618 PolarHBondContact O-N 3.39Å; A615-F633 HydrophobicContact CB-CB 4.05Å; A615-F633 HydrophobicContact CB-CD1 4.32Å; A615-V636 PolarHBondContact N-O 2.84Å; A615-I638 HydrophobicContact CB-CD1 3.86Å; A615-I638 HydrophobicContact CB-CG1 4.33Å
616L94.1Very high93.3Very high31 Ų3153.4 Ų53.416%0.16231%0.307CS..G310 helixtrans-60.1-31.7176.4-168.765.4000113.3T614 L618 I619 Y621 M629 E630 F633T614-L616 PolarHBondContact O-N 3.47Å; L616-L618 VanDerWaalsContact C-N 3.28Å; L616-L618 PolarHBondContact O-N 3.35Å; L616-I619 HydrophobicContact CD1-CD1 4.27Å; L616-I619 WeakPolarHBondContact O-CG1 3.44Å; L616-Y621 HydrophobicContact CD1-CE1 4.05Å; L616-Y621 WeakPolarHBondContact CD1-OH 3.45Å; L616-M629 HydrophobicContact CD1-CB 3.78Å; L616-E630 HydrophobicContact CD2-CG 3.8Å; L616-F633 HydrophobicContact CB-CB 4.47Å; L616-F633 HydrophobicContact CD1-CB 4.41Å
617S93.4Very high93.5Very high48 Ų4851.9 Ų51.934%0.33630%0.301SS..G310 helixtrans-73.2-18.3-179.470.30000114.1K542 T614 A615K542-S617 WeakPolarHBondContact CE-O 3.44Å; K542-S617 PolarHBondContact NZ-O 2.66Å; T614-S617 PolarHBondContact O-N 3.24Å; T614-S617 PolarHBondContact O-OG 3.44Å; T614-S617 VanDerWaalsContact OG1-CB 3.31Å; T614-S617 WeakPolarHBondContact OG1-CB 3.37Å; T614-S617 PolarHBondContact OG1-N 3.41Å; T614-S617 PolarHBondContact OG1-OG 2.92Å; A615-S617 VanDerWaalsContact C-N 3.26Å; A615-S617 PolarHBondContact O-N 2.85Å
618L94.8Very high93.7Very high16 Ų1650.9 Ų50.98%0.08430%0.295CS..G310 helixtrans-93.5-0.6-173.2-57.7178.5000113.6K542 Y546 L550 V613 A615 L616 I638K542-L618 WeakPolarHBondContact CB-O 3.47Å; K542-L618 WeakPolarHBondContact CG-O 3.42Å; K542-L618 PolarHBondContact N-O 3Å; Y546-L618 HydrophobicContact CD1-CD1 3.7Å; Y546-L618 HydrophobicContact CD2-CD1 3.92Å; Y546-L618 HydrophobicContact CD2-CD2 4.08Å; Y546-L618 HydrophobicContact CD2-CG 4.45Å; Y546-L618 HydrophobicContact CE1-CD1 4.06Å; Y546-L618 HydrophobicContact CE2-CD1 4.24Å; Y546-L618 HydrophobicContact CE2-CD2 3.84Å; Y546-L618 HydrophobicContact CG-CD1 3.62Å; L550-L618 HydrophobicContact CD1-CB 4.34Å; V613-L618 HydrophobicContact CB-CD2 4.49Å; V613-L618 HydrophobicContact CG2-CD1 4.44Å; A615-L618 PolarHBondContact O-N 3.39Å; L616-L618 VanDerWaalsContact C-N 3.28Å; L616-L618 PolarHBondContact O-N 3.35Å; L618-I638 HydrophobicContact CD1-CD1 3.55Å
619I95.6Very high94.2Very high5 Ų549.4 Ų49.43%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-116.8155.5-178.957.8163.5000112.1F539 R540 V541 K542 L550 L616 Y621 M629 F633F539-I619 HydrophobicContact CD2-CB 3.87Å; F539-I619 HydrophobicContact CD2-CD1 4.45Å; F539-I619 HydrophobicContact CD2-CG2 3.54Å; F539-I619 HydrophobicContact CE2-CG2 3.78Å; R540-I619 CarbonylContact O-C 3.57Å; R540-I619 WeakPolarHBondContact O-CA 3.48Å; R540-I619 WeakPolarHBondContact O-CB 3.18Å; V541-I619 HydrophobicContact CG2-CG2 4.47Å; K542-I619 WeakPolarHBondContact CE-O 3.49Å; L550-I619 HydrophobicContact CD1-CG2 3.79Å; L550-I619 HydrophobicContact CD2-CG2 4.19Å; L616-I619 HydrophobicContact CD1-CD1 4.27Å; L616-I619 WeakPolarHBondContact O-CG1 3.44Å; I619-Y621 HydrophobicContact CB-CD1 4.45Å; I619-Y621 HydrophobicContact CD1-CD1 3.67Å; I619-Y621 HydrophobicContact CD1-CE1 3.75Å; I619-Y621 HydrophobicContact CG1-CD1 3.79Å; I619-Y621 HydrophobicContact CG1-CE1 3.77Å; I619-M629 HydrophobicContact CD1-CB 4.09Å; I619-M629 HydrophobicContact CD1-CG 4.23Å; I619-M629 HydrophobicContact CD1-SD 4.02Å; I619-F633 HydrophobicContact CD1-CD2 3.4Å; I619-F633 VanDerWaalsContact CD1-CD2 3.4Å; I619-F633 HydrophobicContact CD1-CE2 3.74Å; I619-F633 HydrophobicContact CD1-CG 4.08Å
620E95.3Very high94.5Very high110 Ų11048.2 Ų48.251%0.51426%0.264SS..EExtended strand (participates in β ladder)trans-118.9133.6174.4-68.9179.1175.900109.9F539 R540 K542F539-E620 CarbonylContact C-O 3.5Å; F539-E620 WeakPolarHBondContact CA-O 3.42Å; F539-E620 WeakPolarHBondContact CB-O 3.31Å; R540-E620 HydrophobicContact CB-CB 4.36Å; R540-E620 PolarHBondContact N-O 3.18Å; R540-E620 PolarHBondContact O-N 2.97Å; K542-E620 HydrophobicContact CD-CG 4.28Å; K542-E620 HydrophobicContact CG-CG 3.7Å
621Y95.1Very high94.9Very high67 Ų6747 Ų4726%0.26324%0.244SC..EExtended strand (participates in β ladder)trans-160.3160.9-175.154.1-90.3000110.4L616 I619 L625 K626 M629L616-Y621 HydrophobicContact CD1-CE1 4.05Å; L616-Y621 WeakPolarHBondContact CD1-OH 3.45Å; I619-Y621 HydrophobicContact CB-CD1 4.45Å; I619-Y621 HydrophobicContact CD1-CD1 3.67Å; I619-Y621 HydrophobicContact CD1-CE1 3.75Å; I619-Y621 HydrophobicContact CG1-CD1 3.79Å; I619-Y621 HydrophobicContact CG1-CE1 3.77Å; Y621-L625 HydrophobicContact CD2-CB 4.35Å; Y621-K626 HydrophobicContact CE2-CB 4.11Å; Y621-M629 HydrophobicContact CD1-CB 4.15Å; Y621-M629 HydrophobicContact CD1-CG 3.78Å; Y621-M629 HydrophobicContact CD2-CB 4.2Å; Y621-M629 HydrophobicContact CD2-CG 3.65Å; Y621-M629 HydrophobicContact CE1-CB 3.89Å; Y621-M629 HydrophobicContact CE1-CG 4.05Å; Y621-M629 HydrophobicContact CE2-CB 3.97Å; Y621-M629 HydrophobicContact CE2-CG 3.96Å; Y621-M629 HydrophobicContact CG-CB 4.31Å; Y621-M629 HydrophobicContact CG-CG 3.58Å
622D94.7Very high95.1Very high103 Ų10344.2 Ų44.255%0.55123%0.229SC*.  trans-66135.5173-170.6-36.4000110.2V624 L625D622-V624 PolarHBondContact O-N 2.84Å; D622-V624 WeakPolarHBondContact OD1-CG2 3.43Å; D622-V624 PolarHBondContact OD1-N 3.33Å; D622-L625 HydrophobicContact CB-CD1 4.23Å; D622-L625 WeakPolarHBondContact O-CB 3.16Å; D622-L625 PolarHBondContact O-N 2.9Å
623N93.8Very high95.2Very high125 Ų12544.1 Ų44.167%0.66823%0.228SC*.G310 helixtrans-54.8-26.7179.5-166.538.1000113.4L625 K626N623-L625 PolarHBondContact O-N 2.89Å; N623-K626 VanDerWaalsContact O-CB 3.23Å; N623-K626 WeakPolarHBondContact O-CB 3.22Å; N623-K626 PolarHBondContact O-N 3.37Å; N623-K626 VanDerWaalsContact O-N 3.14Å
624V93.4Very high95.2Very high90 Ų9042.1 Ų42.155%0.54522%0.216SC..G310 helixtrans-58.8-29.2172.9178.40000112.3L587 D622L587-V624 HydrophobicContact CD1-CG1 3.95Å; D622-V624 PolarHBondContact O-N 2.84Å; D622-V624 WeakPolarHBondContact OD1-CG2 3.43Å; D622-V624 PolarHBondContact OD1-N 3.33Å
625L95.5Very high95.1Very high8 Ų843.2 Ų43.24%0.04223%0.225CC..G310 helixtrans-88.3-0.5-178.9-63166.1000113.8L532 L538 V562 L587 Y621 D622 N623 P627 V628 M629L532-L625 HydrophobicContact CD2-CD2 3.69Å; L538-L625 HydrophobicContact CB-CD1 3.81Å; L538-L625 HydrophobicContact CD1-CD2 4.08Å; L538-L625 WeakPolarHBondContact O-CD1 3.2Å; V562-L625 HydrophobicContact CG1-CD2 4.08Å; L587-L625 HydrophobicContact CD2-CD2 4.41Å; Y621-L625 HydrophobicContact CD2-CB 4.35Å; D622-L625 HydrophobicContact CB-CD1 4.23Å; D622-L625 WeakPolarHBondContact O-CB 3.16Å; D622-L625 PolarHBondContact O-N 2.9Å; N623-L625 PolarHBondContact O-N 2.89Å; L625-P627 VanDerWaalsContact C-CD 3.45Å; L625-V628 WeakPolarHBondContact O-CB 3.29Å; L625-V628 PolarHBondContact O-N 3.38Å; L625-M629 HydrophobicContact CB-CE 4.2Å; L625-M629 HydrophobicContact CB-CG 4.37Å; L625-M629 HydrophobicContact CD1-CE 4.19Å; L625-M629 PolarHBondContact O-N 2.89Å
626K95Very high95.1Very high92 Ų9243.6 Ų43.640%0.423%0.228SC..Hα-helixtrans-48.9-46.6-175.9-179.6177.8176.4179.40113.9Y621 N623 V628 M629 E630Y621-K626 HydrophobicContact CE2-CB 4.11Å; N623-K626 VanDerWaalsContact O-CB 3.23Å; N623-K626 WeakPolarHBondContact O-CB 3.22Å; N623-K626 PolarHBondContact O-N 3.37Å; N623-K626 VanDerWaalsContact O-N 3.14Å; K626-V628 VanDerWaalsContact C-N 3.29Å; K626-V628 PolarHBondContact O-N 3.38Å; K626-M629 PolarHBondContact O-N 3Å; K626-E630 WeakPolarHBondContact CE-OE1 3.42Å; K626-E630 HydrophobicContact CG-CG 4.32Å; K626-E630 WeakPolarHBondContact O-CB 3.41Å; K626-E630 WeakPolarHBondContact O-CG 3.36Å; K626-E630 PolarHBondContact O-N 2.98Å
627P95.3Very high95.2Very high41 Ų4142.1 Ų42.127%0.26622%0.22SC..Hα-helixtrans-61.3-35.1178.9-23.134.8000113.7I590 L625 Y631I590-P627 HydrophobicContact CG2-CB 3.89Å; I590-P627 WeakPolarHBondContact O-CB 3.24Å; L625-P627 VanDerWaalsContact C-CD 3.45Å; P627-Y631 WeakPolarHBondContact O-CB 3.45Å; P627-Y631 PolarHBondContact O-N 3Å; P627-Y631 VanDerWaalsContact O-N 3.1Å
628V96.5Very high95.3Very high0 Ų039.9 Ų39.90%020%0.204CC..Hα-helixtrans-71.3-45.3177.3174.70000110.3V535 V562 L585 L587 I590 L625 K626 E630 Y631 V632V535-V628 HydrophobicContact CG2-CG1 4Å; V562-V628 HydrophobicContact CG1-CG2 4.07Å; V562-V628 HydrophobicContact CG2-CG1 3.95Å; V562-V628 HydrophobicContact CG2-CG2 4.21Å; L585-V628 HydrophobicContact CD1-CG1 4.07Å; L587-V628 HydrophobicContact CD2-CG2 3.62Å; I590-V628 HydrophobicContact CG2-CG2 3.72Å; L625-V628 WeakPolarHBondContact O-CB 3.29Å; L625-V628 PolarHBondContact O-N 3.38Å; K626-V628 VanDerWaalsContact C-N 3.29Å; K626-V628 PolarHBondContact O-N 3.38Å; V628-E630 VanDerWaalsContact C-N 3.34Å; V628-E630 PolarHBondContact O-N 3.16Å; V628-Y631 WeakPolarHBondContact O-CB 3.31Å; V628-Y631 PolarHBondContact O-N 3.21Å; V628-Y631 VanDerWaalsContact O-N 3.12Å; V628-V632 HydrophobicContact CG1-CG2 4.32Å; V628-V632 VanDerWaalsContact O-CG2 3.3Å; V628-V632 WeakPolarHBondContact O-CG2 3.32Å; V628-V632 PolarHBondContact O-N 3.17Å
629M97.1Very high95.3Very high0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-67.4-36.8-179-61.6-56.4167.700111.5L538 F539 L616 I619 Y621 L625 K626 Y631 V632 F633L538-M629 HydrophobicContact CB-CE 3.99Å; F539-M629 HydrophobicContact CB-CE 3.8Å; F539-M629 HydrophobicContact CB-SD 4.11Å; F539-M629 HydrophobicContact CD1-CE 4.09Å; F539-M629 HydrophobicContact CD1-SD 4.2Å; F539-M629 HydrophobicContact CG-CE 4.36Å; F539-M629 HydrophobicContact CG-SD 4.36Å; L616-M629 HydrophobicContact CD1-CB 3.78Å; I619-M629 HydrophobicContact CD1-CB 4.09Å; I619-M629 HydrophobicContact CD1-CG 4.23Å; I619-M629 HydrophobicContact CD1-SD 4.02Å; Y621-M629 HydrophobicContact CD1-CB 4.15Å; Y621-M629 HydrophobicContact CD1-CG 3.78Å; Y621-M629 HydrophobicContact CD2-CB 4.2Å; Y621-M629 HydrophobicContact CD2-CG 3.65Å; Y621-M629 HydrophobicContact CE1-CB 3.89Å; Y621-M629 HydrophobicContact CE1-CG 4.05Å; Y621-M629 HydrophobicContact CE2-CB 3.97Å; Y621-M629 HydrophobicContact CE2-CG 3.96Å; Y621-M629 HydrophobicContact CG-CB 4.31Å; Y621-M629 HydrophobicContact CG-CG 3.58Å; L625-M629 HydrophobicContact CB-CE 4.2Å; L625-M629 HydrophobicContact CB-CG 4.37Å; L625-M629 HydrophobicContact CD1-CE 4.19Å; L625-M629 PolarHBondContact O-N 2.89Å; K626-M629 PolarHBondContact O-N 3Å; M629-Y631 VanDerWaalsContact C-N 3.33Å; M629-Y631 PolarHBondContact O-N 2.89Å; M629-V632 PolarHBondContact O-N 2.95Å; M629-F633 PolarHBondContact O-N 3.37Å; M629-F633 HydrophobicContact SD-CD2 4.26Å; M629-F633 HydrophobicContact SD-CE2 4.04Å
630E96.2Very high95.2Very high36 Ų3641.3 Ų41.317%0.16822%0.215CC..Hα-helixtrans-63.3-37.6170.5-71.4174.7170.900112.1P594 L616 K626 V628 G634P594-E630 HydrophobicContact CB-CG 4.48Å; P594-E630 HydrophobicContact CG-CG 4.41Å; L616-E630 HydrophobicContact CD2-CG 3.8Å; K626-E630 WeakPolarHBondContact CE-OE1 3.42Å; K626-E630 HydrophobicContact CG-CG 4.32Å; K626-E630 WeakPolarHBondContact O-CB 3.41Å; K626-E630 WeakPolarHBondContact O-CG 3.36Å; K626-E630 PolarHBondContact O-N 2.98Å; V628-E630 VanDerWaalsContact C-N 3.34Å; V628-E630 PolarHBondContact O-N 3.16Å; E630-G634 WeakPolarHBondContact O-CA 3.46Å; E630-G634 PolarHBondContact O-N 3.44Å
631Y96.1Very high95Very high81 Ų8139.6 Ų39.632%0.31821%0.209SC..Hα-helixtrans-67.8-35.8175.4167.1-98.4000113.1K557 L585 I590 P627 V628 M629K557-Y631 HydrophobicContact CD-CE1 4Å; K557-Y631 HydrophobicContact CG-CE1 4.48Å; K557-Y631 PolarHBondContact NZ-O 3.35Å; L585-Y631 HydrophobicContact CD2-CE1 4.23Å; I590-Y631 HydrophobicContact CD1-CD1 4.02Å; I590-Y631 HydrophobicContact CD1-CD2 3.83Å; I590-Y631 HydrophobicContact CD1-CE1 4.36Å; I590-Y631 HydrophobicContact CD1-CE2 4.19Å; I590-Y631 HydrophobicContact CD1-CG 3.74Å; I590-Y631 HydrophobicContact CG1-CD1 4.36Å; I590-Y631 HydrophobicContact CG1-CG 4.04Å; P627-Y631 WeakPolarHBondContact O-CB 3.45Å; P627-Y631 PolarHBondContact O-N 3Å; P627-Y631 VanDerWaalsContact O-N 3.1Å; V628-Y631 WeakPolarHBondContact O-CB 3.31Å; V628-Y631 PolarHBondContact O-N 3.21Å; V628-Y631 VanDerWaalsContact O-N 3.12Å; M629-Y631 VanDerWaalsContact C-N 3.33Å; M629-Y631 PolarHBondContact O-N 2.89Å
632V96.2Very high94.9Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-81.7-49.5-178.11800000111.1V535 A554 K557 V628 M629V535-V632 HydrophobicContact CG1-CG2 4.11Å; A554-V632 HydrophobicContact CB-CG1 3.63Å; K557-V632 HydrophobicContact CB-CG1 4.32Å; K557-V632 HydrophobicContact CB-CG2 4.24Å; K557-V632 HydrophobicContact CD-CB 4.4Å; K557-V632 HydrophobicContact CD-CG1 4.2Å; K557-V632 HydrophobicContact CD-CG2 4.21Å; V628-V632 HydrophobicContact CG1-CG2 4.32Å; V628-V632 VanDerWaalsContact O-CG2 3.3Å; V628-V632 WeakPolarHBondContact O-CG2 3.32Å; V628-V632 PolarHBondContact O-N 3.17Å; M629-V632 PolarHBondContact O-N 2.95Å
633F96.6Very high94.7Very high0 Ų041.5 Ų41.50%022%0.218CC..Hα-helixtrans-116-13.4-167.9-58.5-76000114.5F539 L550 I553 A554 A615 L616 I619 M629 S635F539-F633 HydrophobicContact CD1-CE2 4.28Å; F539-F633 HydrophobicContact CE1-CE2 4.03Å; F539-F633 AromaticContact CE1-CZ 3.86Å; F539-F633 HydrophobicContact CE1-CZ 3.86Å; F539-F633 HydrophobicContact CE2-CE2 4.38Å; F539-F633 AromaticContact CE2-CZ 3.96Å; F539-F633 HydrophobicContact CE2-CZ 3.96Å; F539-F633 HydrophobicContact CZ-CE2 4.09Å; F539-F633 AromaticContact CZ-CZ 3.55Å; F539-F633 HydrophobicContact CZ-CZ 3.55Å; L550-F633 HydrophobicContact CB-CE1 4.24Å; L550-F633 HydrophobicContact CD2-CD1 3.82Å; L550-F633 HydrophobicContact CD2-CE1 3.9Å; I553-F633 HydrophobicContact CB-CD1 4.37Å; I553-F633 HydrophobicContact CG2-CD1 3.7Å; I553-F633 HydrophobicContact CG2-CE1 4.32Å; A554-F633 HydrophobicContact CB-CE1 3.78Å; A554-F633 HydrophobicContact CB-CZ 3.81Å; A615-F633 HydrophobicContact CB-CB 4.05Å; A615-F633 HydrophobicContact CB-CD1 4.32Å; L616-F633 HydrophobicContact CB-CB 4.47Å; L616-F633 HydrophobicContact CD1-CB 4.41Å; I619-F633 HydrophobicContact CD1-CD2 3.4Å; I619-F633 VanDerWaalsContact CD1-CD2 3.4Å; I619-F633 HydrophobicContact CD1-CE2 3.74Å; I619-F633 HydrophobicContact CD1-CG 4.08Å; M629-F633 PolarHBondContact O-N 3.37Å; M629-F633 HydrophobicContact SD-CD2 4.26Å; M629-F633 HydrophobicContact SD-CE2 4.04Å; F633-S635 VanDerWaalsContact C-N 3.31Å; F633-S635 PolarHBondContact O-N 3.27Å
634G94Very high94.7Very high3 Ų336.5 Ų36.53%0.03119%0.192CC..THydrogen-bonded Turntrans-66.5-26.3-167.900000115.1P594 I595 E630P594-G634 CarbonylContact C-O 3.58Å; P594-G634 WeakPolarHBondContact CA-O 3.38Å; I595-G634 WeakPolarHBondContact CG1-O 3.32Å; I595-G634 PolarHBondContact N-O 2.84Å; E630-G634 WeakPolarHBondContact O-CA 3.46Å; E630-G634 PolarHBondContact O-N 3.44Å
635S92.5Very high94.7Very high51 Ų5132.2 Ų32.236%0.35717%0.166SC..THydrogen-bonded Turntrans-97.17.3-17260.40000115.2F633F633-S635 VanDerWaalsContact C-N 3.31Å; F633-S635 PolarHBondContact O-N 3.27Å
636V95.5Very high94.6Very high8 Ų836.9 Ų36.95%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-126.8139-170.1-169.70000112.2I553 A615 K657 V659I553-V636 HydrophobicContact CD1-CB 4.21Å; I553-V636 HydrophobicContact CD1-CG1 3.76Å; I553-V636 HydrophobicContact CG1-CB 4.33Å; I553-V636 HydrophobicContact CG1-CG1 3.8Å; I553-V636 HydrophobicContact CG2-CB 4.07Å; I553-V636 HydrophobicContact CG2-CG1 4.43Å; I553-V636 HydrophobicContact CG2-CG2 3.99Å; A615-V636 PolarHBondContact N-O 2.84Å; V636-K657 HydrophobicContact CG1-CB 4.43Å; V636-K657 HydrophobicContact CG1-CG 4.31Å; V636-K657 WeakPolarHBondContact CG1-O 3.32Å; V636-K657 HydrophobicContact CG2-CB 4.38Å; V636-K657 HydrophobicContact CG2-CD 4.36Å; V636-V659 HydrophobicContact CG1-CG2 3.79Å
637L96.3Very high94.4Very high1 Ų140.3 Ų40.31%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-101.5146.4173.8-64.6173.2000110.7I595 A603 V612 T614 I648 I654 K656 K657 T658 V659I595-L637 HydrophobicContact CD1-CD1 4.37Å; I595-L637 HydrophobicContact CD1-CD2 3.55Å; I595-L637 HydrophobicContact CD1-CG 3.57Å; A603-L637 HydrophobicContact CB-CD1 4.18Å; V612-L637 HydrophobicContact CG2-CB 4.04Å; V612-L637 HydrophobicContact CG2-CD1 3.95Å; V612-L637 HydrophobicContact CG2-CD2 4Å; V612-L637 HydrophobicContact CG2-CG 4.2Å; T614-L637 HydrophobicContact CG2-CD2 3.86Å; L637-I648 HydrophobicContact CD1-CG2 3.74Å; L637-I654 HydrophobicContact CD1-CG2 4.36Å; L637-K656 HydrophobicContact CD1-CB 4.25Å; L637-K657 PolarHBondContact N-O 3.03Å; L637-T658 HydrophobicContact CB-CG2 4.1Å; L637-T658 CarbonylContact O-C 3.36Å; L637-T658 VanDerWaalsContact O-CA 3.27Å; L637-T658 WeakPolarHBondContact O-CA 3.31Å; L637-V659 PolarHBondContact O-N 3.42Å
638I96.3Very high94.3Very high1 Ų138.4 Ų38.41%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-109.6135.7174-67.2165.8000109.3Y546 A549 L550 I553 V612 V613 A615 L618 V659 L661Y546-I638 HydrophobicContact CD1-CG2 4.11Å; Y546-I638 HydrophobicContact CE1-CG2 4.4Å; A549-I638 HydrophobicContact CB-CD1 4Å; A549-I638 HydrophobicContact CB-CG1 4.17Å; A549-I638 HydrophobicContact CB-CG2 4.19Å; L550-I638 HydrophobicContact CD2-CD1 4.01Å; L550-I638 HydrophobicContact CG-CD1 4.33Å; I553-I638 HydrophobicContact CD1-CD1 3.7Å; I553-I638 HydrophobicContact CD1-CG1 3.58Å; V612-I638 WeakPolarHBondContact CA-O 3.27Å; V613-I638 PolarHBondContact N-O 3.48Å; V613-I638 VanDerWaalsContact N-O 3.1Å; V613-I638 PolarHBondContact O-N 2.93Å; A615-I638 HydrophobicContact CB-CD1 3.86Å; A615-I638 HydrophobicContact CB-CG1 4.33Å; L618-I638 HydrophobicContact CD1-CD1 3.55Å; I638-V659 CarbonylContact C-O 3.16Å; I638-V659 VanDerWaalsContact CA-O 3.26Å; I638-V659 WeakPolarHBondContact CA-O 3.43Å; I638-L661 HydrophobicContact CG2-CD2 4.1Å
639C95.1Very high94.2Very high3 Ų338.4 Ų38.42%0.0218%0.184CC..EExtended strand (participates in β ladder)trans-126.8156.6-177.3-60.30000110.4V644 A645 V659 T660 L661C639-V644 HydrophobicContact CB-CB 4.3Å; C639-V644 HydrophobicContact CB-CG1 3.95Å; C639-A645 HydrophobicContact CB-CB 4.02Å; C639-V659 PolarHBondContact N-O 3.23Å; C639-T660 CarbonylContact O-C 3.57Å; C639-T660 VanDerWaalsContact O-CA 3.27Å; C639-T660 WeakPolarHBondContact O-CA 3.39Å; C639-L661 PolarHBondContact O-N 3.1Å
640P92.2Very high94Very high48 Ų4842.6 Ų42.631%0.31220%0.203SC..SBendtrans-67-44.7177.724.4-31.8000112.5N611 V644N611-P640 HydrophobicContact CB-CG 4.28Å; N611-P640 WeakPolarHBondContact O-CD 3.25Å; P640-V644 HydrophobicContact CG-CB 4.44Å; P640-V644 HydrophobicContact CG-CG2 4.22Å
641D92Very high93.9Very high73 Ų7343.9 Ų43.939%0.3921%0.208SC..SBendtrans-140.7172-171.163.258.8000113.2E643 V644 A645 T660D641-E643 VanDerWaalsContact C-N 3.34Å; D641-E643 PolarHBondContact O-N 2.88Å; D641-E643 WeakPolarHBondContact OD1-CB 3.28Å; D641-E643 PolarHBondContact OD1-N 3.02Å; D641-V644 WeakPolarHBondContact OD1-CG2 3.39Å; D641-V644 PolarHBondContact OD1-N 3.47Å; D641-A645 VanDerWaalsContact O-CB 3.32Å; D641-A645 WeakPolarHBondContact O-CB 3.48Å; D641-A645 PolarHBondContact O-N 3.31Å; D641-T660 VanDerWaalsContact C-CG2 3.45Å; D641-T660 WeakPolarHBondContact O-CG2 3.39Å
642M91.8Very high93.5Very high99 Ų9945.1 Ų45.149%0.48823%0.226SC..Hα-helixtrans-65.2-33-176.8-61.7-177.986.400113.4K646 T660 D664 F666M642-K646 WeakPolarHBondContact O-CB 3.32Å; M642-K646 PolarHBondContact O-N 2.88Å; M642-T660 HydrophobicContact CG-CG2 4.15Å; M642-D664 HydrophobicContact CE-CB 4.36Å; M642-D664 HydrophobicContact CG-CB 4.46Å; M642-F666 HydrophobicContact CB-CE2 4.16Å; M642-F666 HydrophobicContact CB-CZ 4.03Å; M642-F666 HydrophobicContact CE-CE2 4.28Å; M642-F666 HydrophobicContact CE-CZ 3.98Å; M642-F666 HydrophobicContact CG-CE2 4.35Å; M642-F666 HydrophobicContact CG-CZ 4.48Å
643E91.8Very high93.1Very high112 Ų11246.9 Ų46.952%0.52324%0.244SC..Hα-helixtrans-69.3-46.5-178.4-81.8-64138.600110.6D641 R647D641-E643 VanDerWaalsContact C-N 3.34Å; D641-E643 PolarHBondContact O-N 2.88Å; D641-E643 WeakPolarHBondContact OD1-CB 3.28Å; D641-E643 PolarHBondContact OD1-N 3.02Å; E643-R647 WeakPolarHBondContact O-CG 3.45Å; E643-R647 PolarHBondContact O-N 3.14Å
644V93.3Very high92.9Very high19 Ų1947.2 Ų47.212%0.11525%0.246CC..Hα-helixtrans-62.8-46.5173.9177.50000110.4V607 N611 C639 P640 D641 K646 R647 I648V607-V644 HydrophobicContact CB-CG1 4.04Å; V607-V644 HydrophobicContact CG1-CG1 4.04Å; V607-V644 HydrophobicContact CG2-CG1 4.02Å; N611-V644 HydrophobicContact CB-CG1 4.22Å; C639-V644 HydrophobicContact CB-CB 4.3Å; C639-V644 HydrophobicContact CB-CG1 3.95Å; P640-V644 HydrophobicContact CG-CB 4.44Å; P640-V644 HydrophobicContact CG-CG2 4.22Å; D641-V644 WeakPolarHBondContact OD1-CG2 3.39Å; D641-V644 PolarHBondContact OD1-N 3.47Å; V644-K646 PolarHBondContact O-N 3.46Å; V644-R647 PolarHBondContact O-N 2.71Å; V644-I648 HydrophobicContact CG1-CD1 3.92Å; V644-I648 WeakPolarHBondContact O-CG1 3.34Å; V644-I648 PolarHBondContact O-N 3.23Å; V644-I648 VanDerWaalsContact O-N 3.14Å
645A93.8Very high92.8Very high0 Ų052.8 Ų52.80%027%0.271CS..Hα-helixtrans-58.6-45.4179.900000112.2C639 D641 I648 A649 T658 T660 F666C639-A645 HydrophobicContact CB-CB 4.02Å; D641-A645 VanDerWaalsContact O-CB 3.32Å; D641-A645 WeakPolarHBondContact O-CB 3.48Å; D641-A645 PolarHBondContact O-N 3.31Å; A645-I648 PolarHBondContact O-N 3.21Å; A645-A649 VanDerWaalsContact O-CB 3.3Å; A645-A649 WeakPolarHBondContact O-CB 3.37Å; A645-A649 PolarHBondContact O-N 2.93Å; A645-T658 WeakPolarHBondContact CB-OG1 3.41Å; A645-T658 PolarHBondContact O-OG1 2.95Å; A645-T660 HydrophobicContact CB-CG2 3.84Å; A645-F666 HydrophobicContact CB-CD2 3.72Å; A645-F666 HydrophobicContact CB-CE2 4.02Å; A645-F666 HydrophobicContact CB-CG 4.37Å
646K92.8Very high92.9Very high106 Ų10653.8 Ų53.846%0.46127%0.269SS..Hα-helixtrans-62.8-45.9177.6-176.6-178.4177-175.60112.1M642 V644 I648 A649 F650 F666M642-K646 WeakPolarHBondContact O-CB 3.32Å; M642-K646 PolarHBondContact O-N 2.88Å; V644-K646 PolarHBondContact O-N 3.46Å; K646-I648 VanDerWaalsContact C-N 3.3Å; K646-I648 PolarHBondContact O-N 2.93Å; K646-A649 PolarHBondContact O-N 3.1Å; K646-F650 HydrophobicContact CG-CD2 3.93Å; K646-F650 HydrophobicContact CG-CE2 4.09Å; K646-F650 WeakPolarHBondContact O-CD2 3.19Å; K646-F650 PolarHBondContact O-N 3.07Å; K646-F666 HydrophobicContact CB-CD1 3.89Å; K646-F666 HydrophobicContact CB-CE1 3.64Å; K646-F666 HydrophobicContact CB-CZ 4.28Å; K646-F666 HydrophobicContact CD-CE1 4.44Å; K646-F666 HydrophobicContact CG-CD1 4.27Å; K646-F666 HydrophobicContact CG-CE1 4.02Å
647R91.6Very high92.9Very high165 Ų16557 Ų5762%0.62328%0.283SS*.Hα-helixtrans-59.6-41.6179.6-78.2179.7-176.7-163.21112E643 V644 H651E643-R647 WeakPolarHBondContact O-CG 3.45Å; E643-R647 PolarHBondContact O-N 3.14Å; V644-R647 PolarHBondContact O-N 2.71Å; R647-H651 WeakPolarHBondContact O-CB 3.43Å; R647-H651 PolarHBondContact O-N 2.99Å
648I93.4Very high92.9Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-75-45.7-179.3-64.4174.8000111.2A603 L606 V607 V612 L637 V644 A645 K646 F650 H651 I654 T658A603-I648 HydrophobicContact CB-CG2 4.36Å; L606-I648 HydrophobicContact CD2-CG1 4.47Å; V607-I648 HydrophobicContact CB-CD1 4.46Å; V607-I648 HydrophobicContact CG1-CD1 4.08Å; V607-I648 HydrophobicContact CG1-CG1 3.84Å; V607-I648 HydrophobicContact CG2-CD1 3.59Å; V607-I648 HydrophobicContact CG2-CG1 4.22Å; V612-I648 HydrophobicContact CB-CD1 3.94Å; V612-I648 HydrophobicContact CG2-CD1 3.81Å; L637-I648 HydrophobicContact CD1-CG2 3.74Å; V644-I648 HydrophobicContact CG1-CD1 3.92Å; V644-I648 WeakPolarHBondContact O-CG1 3.34Å; V644-I648 PolarHBondContact O-N 3.23Å; V644-I648 VanDerWaalsContact O-N 3.14Å; A645-I648 PolarHBondContact O-N 3.21Å; K646-I648 VanDerWaalsContact C-N 3.3Å; K646-I648 PolarHBondContact O-N 2.93Å; I648-F650 VanDerWaalsContact C-N 3.3Å; I648-F650 PolarHBondContact O-N 3.07Å; I648-H651 PolarHBondContact O-N 3.36Å; I648-I654 HydrophobicContact CG2-CD1 4.25Å; I648-I654 HydrophobicContact CG2-CG2 3.83Å; I648-T658 HydrophobicContact CB-CG2 3.85Å; I648-T658 HydrophobicContact CG2-CG2 3.57Å
649A94.3Very high92.8Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-61.1-37.9-173.200000113.5A645 K646 K656 T658 F666 P668A645-A649 VanDerWaalsContact O-CB 3.3Å; A645-A649 WeakPolarHBondContact O-CB 3.37Å; A645-A649 PolarHBondContact O-N 2.93Å; K646-A649 PolarHBondContact O-N 3.1Å; A649-K656 VanDerWaalsContact CA-O 3.31Å; A649-K656 WeakPolarHBondContact CA-O 3.42Å; A649-T658 HydrophobicContact CB-CG2 4.22Å; A649-F666 HydrophobicContact CB-CB 3.65Å; A649-P668 WeakPolarHBondContact O-CG 3.47Å
650F93.5Very high92.8Very high89 Ų8956.9 Ų56.939%0.3928%0.282SS..THydrogen-bonded Turntrans-101.29.1-177.6-57.1-61000113.8K646 I648 F666 D667 L672K646-F650 HydrophobicContact CG-CD2 3.93Å; K646-F650 HydrophobicContact CG-CE2 4.09Å; K646-F650 WeakPolarHBondContact O-CD2 3.19Å; K646-F650 PolarHBondContact O-N 3.07Å; I648-F650 VanDerWaalsContact C-N 3.3Å; I648-F650 PolarHBondContact O-N 3.07Å; F650-F666 AromaticContact CE2-CD1 3.96Å; F650-F666 HydrophobicContact CE2-CD1 3.96Å; F650-D667 WeakPolarHBondContact CE1-O 3.35Å; F650-L672 HydrophobicContact CE2-CD2 4.42Å; F650-L672 HydrophobicContact CZ-CD2 4.21Å
651H93.1Very high92.7Very high62 Ų6257.3 Ų57.329%0.28728%0.281SS..  trans-72.9126.5177.1-172.1-90.4000110.4L606 R647 I648 G653 I654 E655L606-H651 HydrophobicContact CD2-CB 4.15Å; R647-H651 WeakPolarHBondContact O-CB 3.43Å; R647-H651 PolarHBondContact O-N 2.99Å; I648-H651 PolarHBondContact O-N 3.36Å; H651-G653 PolarHBondContact ND1-N 3.4Å; H651-G653 VanDerWaalsContact ND1-N 3.17Å; H651-G653 PolarHBondContact O-N 3.2Å; H651-I654 HydrophobicContact CB-CB 4.26Å; H651-I654 HydrophobicContact CB-CD1 4.04Å; H651-I654 HydrophobicContact CB-CG1 4.35Å; H651-I654 PolarHBondContact O-N 3.29Å; H651-E655 WeakPolarHBondContact O-CG 3.41Å; H651-E655 PolarHBondContact O-N 3.14Å
652P88.3Confident92.6Very high107 Ų10761 Ų6170%0.69530%0.296SS*.THydrogen-bonded Turntrans-58.7-23.3-174.2-23.731.3000115
653G87.3Confident92.5Very high37 Ų3756.8 Ų56.838%0.38128%0.278SS..THydrogen-bonded Turntrans-94.9-0.3178.100000115.5H651H651-G653 PolarHBondContact ND1-N 3.4Å; H651-G653 VanDerWaalsContact ND1-N 3.17Å; H651-G653 PolarHBondContact O-N 3.2Å
654I91.9Very high92.6Very high7 Ų752.2 Ų52.24%0.03626%0.257CS..THydrogen-bonded Turntrans-123-59.2-177.3-61.2165.7000110.1V599 N602 A603 L606 L637 I648 H651 K656V599-I654 HydrophobicContact CG1-CB 4.33Å; V599-I654 HydrophobicContact CG1-CG2 3.79Å; N602-I654 HydrophobicContact CB-CG1 4.24Å; A603-I654 HydrophobicContact CB-CD1 3.81Å; L606-I654 HydrophobicContact CD2-CD1 4Å; L637-I654 HydrophobicContact CD1-CG2 4.36Å; I648-I654 HydrophobicContact CG2-CD1 4.25Å; I648-I654 HydrophobicContact CG2-CG2 3.83Å; H651-I654 HydrophobicContact CB-CB 4.26Å; H651-I654 HydrophobicContact CB-CD1 4.04Å; H651-I654 HydrophobicContact CB-CG1 4.35Å; H651-I654 PolarHBondContact O-N 3.29Å; I654-K656 VanDerWaalsContact C-N 3.26Å; I654-K656 HydrophobicContact CG2-CB 4.09Å; I654-K656 HydrophobicContact CG2-CG 4.06Å; I654-K656 WeakPolarHBondContact O-CG 3.45Å; I654-K656 PolarHBondContact O-N 2.82Å
655E92.6Very high92.7Very high120 Ų12052 Ų5256%0.56126%0.256SS*.  trans42.950.2178.3-57.5-172.9149.100113.1H651 P668H651-E655 WeakPolarHBondContact O-CG 3.41Å; H651-E655 PolarHBondContact O-N 3.14Å; E655-P668 HydrophobicContact CB-CB 4.3Å; E655-P668 WeakPolarHBondContact O-CG 3.5Å
656K93.8Very high92.8Very high73 Ų7352.7 Ų52.732%0.31726%0.259SS..  trans-114.9147.1176.8-64.9-52.4172-162.90111.5I595 V599 L637 A649 I654 T658 P668I595-K656 HydrophobicContact CD1-CB 4.49Å; I595-K656 HydrophobicContact CD1-CG 4.22Å; I595-K656 HydrophobicContact CG1-CD 4.28Å; I595-K656 HydrophobicContact CG1-CG 4.22Å; I595-K656 HydrophobicContact CG2-CG 4.41Å; V599-K656 HydrophobicContact CG1-CG 4.03Å; L637-K656 HydrophobicContact CD1-CB 4.25Å; A649-K656 VanDerWaalsContact CA-O 3.31Å; A649-K656 WeakPolarHBondContact CA-O 3.42Å; I654-K656 VanDerWaalsContact C-N 3.26Å; I654-K656 HydrophobicContact CG2-CB 4.09Å; I654-K656 HydrophobicContact CG2-CG 4.06Å; I654-K656 WeakPolarHBondContact O-CG 3.45Å; I654-K656 PolarHBondContact O-N 2.82Å; K656-T658 PolarHBondContact O-N 3.31Å; K656-P668 VanDerWaalsContact C-CG 3.48Å
657K95.1Very high92.8Very high76 Ų7649.2 Ų49.233%0.3325%0.245SC..EExtended strand (participates in β ladder)trans-60.1132.5171.7-171169.7-172.5157.90109.7V636 L637 V665 F666 D667V636-K657 HydrophobicContact CG1-CB 4.43Å; V636-K657 HydrophobicContact CG1-CG 4.31Å; V636-K657 WeakPolarHBondContact CG1-O 3.32Å; V636-K657 HydrophobicContact CG2-CB 4.38Å; V636-K657 HydrophobicContact CG2-CD 4.36Å; L637-K657 PolarHBondContact N-O 3.03Å; K657-V665 HydrophobicContact CD-CG1 4.28Å; K657-V665 HydrophobicContact CG-CG1 4.2Å; K657-F666 WeakPolarHBondContact CA-O 2.95Å; K657-D667 IonicContact NZ-OD2 3.5Å
658T96.2Very high92.8Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-121.5149.2176.8580000110.1L637 A645 I648 A649 K656 F666L637-T658 HydrophobicContact CB-CG2 4.1Å; L637-T658 CarbonylContact O-C 3.36Å; L637-T658 VanDerWaalsContact O-CA 3.27Å; L637-T658 WeakPolarHBondContact O-CA 3.31Å; A645-T658 WeakPolarHBondContact CB-OG1 3.41Å; A645-T658 PolarHBondContact O-OG1 2.95Å; I648-T658 HydrophobicContact CB-CG2 3.85Å; I648-T658 HydrophobicContact CG2-CG2 3.57Å; A649-T658 HydrophobicContact CB-CG2 4.22Å; K656-T658 PolarHBondContact O-N 3.31Å; T658-F666 PolarHBondContact N-O 3.08Å; T658-F666 PolarHBondContact O-N 3.4Å; T658-F666 WeakPolarHBondContact OG1-CB 3.36Å
659V95.9Very high92.8Very high1 Ų150.9 Ų50.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-132.6133.2176.4-178.60000109.6A549 V552 I553 V636 L637 I638 C639 D664 V665A549-V659 HydrophobicContact CB-CG1 4.17Å; V552-V659 HydrophobicContact CB-CG1 4.3Å; V552-V659 HydrophobicContact CG1-CG1 4.16Å; I553-V659 HydrophobicContact CD1-CB 4.16Å; I553-V659 HydrophobicContact CD1-CG2 4.21Å; I553-V659 HydrophobicContact CG1-CB 4.02Å; I553-V659 HydrophobicContact CG1-CG1 4.31Å; I553-V659 HydrophobicContact CG1-CG2 3.63Å; V636-V659 HydrophobicContact CG1-CG2 3.79Å; L637-V659 PolarHBondContact O-N 3.42Å; I638-V659 CarbonylContact C-O 3.16Å; I638-V659 VanDerWaalsContact CA-O 3.26Å; I638-V659 WeakPolarHBondContact CA-O 3.43Å; C639-V659 PolarHBondContact N-O 3.23Å; V659-D664 CarbonylContact C-O 3.58Å; V659-D664 WeakPolarHBondContact CA-O 3.49Å; V659-V665 HydrophobicContact CG2-CG1 4.36Å; V659-V665 HydrophobicContact CG2-CG2 4.08Å
660T94.3Very high92.4Very high1 Ų153.4 Ų53.41%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-76.5165.8176.266.20000111.2A549 C639 D641 M642 A645 E662 G663 D664A549-T660 WeakPolarHBondContact CB-O 3.49Å; C639-T660 CarbonylContact O-C 3.57Å; C639-T660 VanDerWaalsContact O-CA 3.27Å; C639-T660 WeakPolarHBondContact O-CA 3.39Å; D641-T660 VanDerWaalsContact C-CG2 3.45Å; D641-T660 WeakPolarHBondContact O-CG2 3.39Å; M642-T660 HydrophobicContact CG-CG2 4.15Å; A645-T660 HydrophobicContact CB-CG2 3.84Å; T660-E662 PolarHBondContact O-N 3.13Å; T660-G663 PolarHBondContact O-N 3.04Å; T660-G663 PolarHBondContact OG1-N 3.39Å; T660-D664 HydrophobicContact CG2-CB 4.02Å; T660-D664 PolarHBondContact N-O 3.03Å; T660-D664 WeakPolarHBondContact OG1-CB 3.48Å; T660-D664 PolarHBondContact OG1-N 2.92Å; T660-D664 PolarHBondContact OG1-OD2 2.83Å; T660-D664 VanDerWaalsContact OG1-OD2 3.11Å
661L91.1Very high92.3Very high56 Ų5652.9 Ų52.929%0.29329%0.293SS..THydrogen-bonded Turntrans-58-33172.2-68.1176.6000112.5Y546 I638 C639 G663Y546-L661 HydrophobicContact CD1-CD2 3.34Å; Y546-L661 HydrophobicContact CE1-CD2 3.52Å; Y546-L661 HydrophobicContact CG-CD2 4.47Å; I638-L661 HydrophobicContact CG2-CD2 4.1Å; C639-L661 PolarHBondContact O-N 3.1Å; L661-G663 VanDerWaalsContact C-N 3.28Å; L661-G663 PolarHBondContact O-N 3.5Å
662E88.8Confident92.1Very high152 Ų15255 Ų5571%0.7131%0.306SS*.THydrogen-bonded Turntrans-79.7-9.6177.3-59.4-165.4171.600113.3T660T660-E662 PolarHBondContact O-N 3.13Å
663G90.5Very high92.1Very high9 Ų953.5 Ų53.59%0.09330%0.297CS..  trans95.216.4174.400000115.3T660 L661T660-G663 PolarHBondContact O-N 3.04Å; T660-G663 PolarHBondContact OG1-N 3.39Å; L661-G663 VanDerWaalsContact C-N 3.28Å; L661-G663 PolarHBondContact O-N 3.5Å
664D93.2Very high92Very high17 Ų1754.6 Ų54.69%0.09131%0.309CS..  trans-74.5137.5170.2-52-65000110.3M642 V659 T660 F666 S673 G674 G675M642-D664 HydrophobicContact CE-CB 4.36Å; M642-D664 HydrophobicContact CG-CB 4.46Å; V659-D664 CarbonylContact C-O 3.58Å; V659-D664 WeakPolarHBondContact CA-O 3.49Å; T660-D664 HydrophobicContact CG2-CB 4.02Å; T660-D664 PolarHBondContact N-O 3.03Å; T660-D664 WeakPolarHBondContact OG1-CB 3.48Å; T660-D664 PolarHBondContact OG1-N 2.92Å; T660-D664 PolarHBondContact OG1-OD2 2.83Å; T660-D664 VanDerWaalsContact OG1-OD2 3.11Å; D664-F666 HydrophobicContact CB-CE2 4.34Å; D664-S673 CarbonylContact C-O 3.58Å; D664-S673 WeakPolarHBondContact CA-O 3.39Å; D664-G674 WeakPolarHBondContact OD1-CA 3.39Å; D664-G675 PolarHBondContact OD1-N 3.47Å
665V95.1Very high91.3Very high15 Ų1556.8 Ų56.89%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-115128.1-171.1-176.10000109.8V552 K657 V659 L672 S673V552-V665 HydrophobicContact CG1-CG2 3.3Å; K657-V665 HydrophobicContact CD-CG1 4.28Å; K657-V665 HydrophobicContact CG-CG1 4.2Å; V659-V665 HydrophobicContact CG2-CG1 4.36Å; V659-V665 HydrophobicContact CG2-CG2 4.08Å; V665-L672 WeakPolarHBondContact O-CA 3.27Å; V665-S673 PolarHBondContact N-O 2.92Å; V665-S673 PolarHBondContact O-N 3.41Å
666F95.7Very high89.7Confident13 Ų1357.2 Ų57.26%0.05735%0.35CS..EExtended strand (participates in β ladder)trans-115.7116.4171-67.8-108.1000109M642 A645 K646 A649 F650 K657 T658 D664 L672M642-F666 HydrophobicContact CB-CE2 4.16Å; M642-F666 HydrophobicContact CB-CZ 4.03Å; M642-F666 HydrophobicContact CE-CE2 4.28Å; M642-F666 HydrophobicContact CE-CZ 3.98Å; M642-F666 HydrophobicContact CG-CE2 4.35Å; M642-F666 HydrophobicContact CG-CZ 4.48Å; A645-F666 HydrophobicContact CB-CD2 3.72Å; A645-F666 HydrophobicContact CB-CE2 4.02Å; A645-F666 HydrophobicContact CB-CG 4.37Å; K646-F666 HydrophobicContact CB-CD1 3.89Å; K646-F666 HydrophobicContact CB-CE1 3.64Å; K646-F666 HydrophobicContact CB-CZ 4.28Å; K646-F666 HydrophobicContact CD-CE1 4.44Å; K646-F666 HydrophobicContact CG-CD1 4.27Å; K646-F666 HydrophobicContact CG-CE1 4.02Å; A649-F666 HydrophobicContact CB-CB 3.65Å; F650-F666 AromaticContact CE2-CD1 3.96Å; F650-F666 HydrophobicContact CE2-CD1 3.96Å; K657-F666 WeakPolarHBondContact CA-O 2.95Å; T658-F666 PolarHBondContact N-O 3.08Å; T658-F666 PolarHBondContact O-N 3.4Å; T658-F666 WeakPolarHBondContact OG1-CB 3.36Å; D664-F666 HydrophobicContact CB-CE2 4.34Å; F666-L672 HydrophobicContact CB-CD2 4.21Å; F666-L672 HydrophobicContact CD1-CD2 3.09Å; F666-L672 HydrophobicContact CE1-CD2 3.42Å; F666-L672 VanDerWaalsContact CE1-CD2 3.42Å; F666-L672 HydrophobicContact CG-CD2 3.73Å; F666-L672 HydrophobicContact CZ-CD2 4.29Å
667D94.2Very high88Confident33 Ų3360.8 Ų60.818%0.17636%0.361CS..  trans-102.7129.5176.6-156.7-56.3000109.9F650 K657 Q669 G670 T671F650-D667 WeakPolarHBondContact CE1-O 3.35Å; K657-D667 IonicContact NZ-OD2 3.5Å; D667-Q669 PolarHBondContact O-N 3.3Å; D667-Q669 WeakPolarHBondContact OD1-CB 3.44Å; D667-Q669 WeakPolarHBondContact OD1-CG 3.37Å; D667-Q669 PolarHBondContact OD1-N 3.05Å; D667-Q669 VanDerWaalsContact OD1-N 3.11Å; D667-G670 PolarHBondContact O-N 2.96Å; D667-T671 WeakPolarHBondContact CB-O 3.45Å; D667-T671 WeakPolarHBondContact CB-OG1 3.46Å; D667-T671 PolarHBondContact N-O 2.92Å
668P91.5Very high86Confident33 Ų3359.9 Ų59.921%0.21437%0.373CS..THydrogen-bonded Turntrans-54-23.9175.8-23.329.1000113.8A649 E655 K656 G670A649-P668 WeakPolarHBondContact O-CG 3.47Å; E655-P668 HydrophobicContact CB-CB 4.3Å; E655-P668 WeakPolarHBondContact O-CG 3.5Å; K656-P668 VanDerWaalsContact C-CG 3.48Å; P668-G670 PolarHBondContact O-N 3.14Å; P668-G670 VanDerWaalsContact O-N 3.12Å
669Q91.5Very high84Confident168 Ų16867.3 Ų67.379%0.78542%0.419SS*.THydrogen-bonded Turntrans-713.1174.5-58.7-58.4-43.400113.8D667D667-Q669 PolarHBondContact O-N 3.3Å; D667-Q669 WeakPolarHBondContact OD1-CB 3.44Å; D667-Q669 WeakPolarHBondContact OD1-CG 3.37Å; D667-Q669 PolarHBondContact OD1-N 3.05Å; D667-Q669 VanDerWaalsContact OD1-N 3.11Å
670G86.9Confident81.8Confident52 Ų5272.3 Ų72.354%0.53646%0.46SS..SBendtrans91.37.5176.100000114.5D667 P668D667-G670 PolarHBondContact O-N 2.96Å; P668-G670 PolarHBondContact O-N 3.14Å; P668-G670 VanDerWaalsContact O-N 3.12Å
671T90.7Very high80Confident78 Ų7876.4 Ų76.448%0.47949%0.489SS..  trans-91136.5175.568.70000111.1D667D667-T671 WeakPolarHBondContact CB-O 3.45Å; D667-T671 WeakPolarHBondContact CB-OG1 3.46Å; D667-T671 PolarHBondContact N-O 2.92Å
672L89.4Confident79.2Confident108 Ų10878.4 Ų78.457%0.56550%0.497SS*.EExtended strand (participates in β ladder)trans-121.9134.9177.3-60172.3000107.4F650 V665 F666F650-L672 HydrophobicContact CE2-CD2 4.42Å; F650-L672 HydrophobicContact CZ-CD2 4.21Å; V665-L672 WeakPolarHBondContact O-CA 3.27Å; F666-L672 HydrophobicContact CB-CD2 4.21Å; F666-L672 HydrophobicContact CD1-CD2 3.09Å; F666-L672 HydrophobicContact CE1-CD2 3.42Å; F666-L672 VanDerWaalsContact CE1-CD2 3.42Å; F666-L672 HydrophobicContact CG-CD2 3.73Å; F666-L672 HydrophobicContact CZ-CD2 4.29Å
673S88Confident78.9Confident74 Ų7472.1 Ų72.152%0.51747%0.47SS..EExtended strand (participates in β ladder)trans-142.7121.9179-56.90000109.5D664 V665D664-S673 CarbonylContact C-O 3.58Å; D664-S673 WeakPolarHBondContact CA-O 3.39Å; V665-S673 PolarHBondContact N-O 2.92Å; V665-S673 PolarHBondContact O-N 3.41Å
674G85.8Confident78.6Confident61 Ų6174.5 Ų74.563%0.62948%0.48SS*.  trans-168.4176.9-173.400000111.7D664D664-G674 WeakPolarHBondContact OD1-CA 3.39Å
675G77.3Confident78.4Confident53 Ų5373.7 Ų73.755%0.54648%0.476SS..  trans145.4155.7179.300000114.1D664 R677D664-G675 PolarHBondContact OD1-N 3.47Å; G675-R677 PolarHBondContact O-N 3.41Å; G675-R677 VanDerWaalsContact O-N 3.15Å
676S59.6Low78.1Confident129 Ų12973.7 Ų73.790%0.90248%0.476SS*.  trans-60.1114.5-174.8590000112.2
677R56.5Low77.7Confident147 Ų14776.8 Ų76.856%0.55549%0.488SS*.  trans-85.7136.2162.5-67.7-171.3175.8-150.30.4108.3E551 G675 T679E551-R677 IonicContact OE2-NH1 3.45Å; G675-R677 PolarHBondContact O-N 3.41Å; G675-R677 VanDerWaalsContact O-N 3.15Å; R677-T679 PolarHBondContact O-N 3.29Å; R677-T679 VanDerWaalsContact O-N 3.12Å
678G54.2Low77.5Confident57 Ų5775.3 Ų75.359%0.58848%0.48SS*.  trans-55.6120.6-179.100000110.7A680 S681G678-A680 PolarHBondContact O-N 2.85Å; G678-S681 PolarHBondContact O-N 3.11Å
679T53Low77.4Confident156 Ų15674.7 Ų74.796%0.95747%0.474SS*.THydrogen-bonded Turntrans-57.4-14.1-174.9-16.60000113.8R677R677-T679 PolarHBondContact O-N 3.29Å; R677-T679 VanDerWaalsContact O-N 3.12Å
680A50Low77.3Confident106 Ų10671.5 Ų71.588%0.87646%0.457SS*.THydrogen-bonded Turntrans-96.5-10.3-17200000115G678G678-A680 PolarHBondContact O-N 2.85Å
681S57.1Low77.4Confident88 Ų8869.2 Ų69.262%0.61543%0.433SS*.SBendtrans-98.7120.5-177.165.20000112G678G678-S681 PolarHBondContact O-N 3.11Å
682E74Confident77.2Confident98 Ų9869.2 Ų69.246%0.45842%0.424SS..PPolyproline II helixtrans-48137.6168.2-131.5-173.2175.600111.2S686 R687 K690E682-S686 WeakPolarHBondContact CG-OG 3.48Å; E682-R687 HydrophobicContact CB-CG 4.09Å; E682-K690 WeakPolarHBondContact OE1-CE 3.36Å; E682-K690 IonicContact OE1-NZ 3.31Å; E682-K690 PolarHBondContact OE1-NZ 3.08Å; E682-K690 IonicContact OE2-NZ 2.92Å; E682-K690 PolarHBondContact OE2-NZ 3.31Å
683S82Confident77.2Confident19 Ų1967.4 Ų67.413%0.13342%0.415CS..PPolyproline II helixtrans-60.9151.6-175.6101.10000111.5A547 E551 L685 S686 R687A547-S683 WeakPolarHBondContact CB-OG 3.13Å; E551-S683 VanDerWaalsContact OE1-C 3.31Å; E551-S683 WeakPolarHBondContact OE1-CB 3.4Å; E551-S683 PolarHBondContact OE1-OG 2.82Å; S683-L685 VanDerWaalsContact C-N 3.35Å; S683-L685 PolarHBondContact O-N 2.8Å; S683-S686 PolarHBondContact N-OG 3.3Å; S683-S686 PolarHBondContact O-N 2.69Å; S683-S686 PolarHBondContact O-OG 2.82Å; S683-S686 PolarHBondContact OG-N 2.91Å; S683-S686 PolarHBondContact OG-OG 3.46Å; S683-R687 PolarHBondContact O-N 2.85Å
684L85.6Confident77.4Confident60 Ų6065.9 Ų65.931%0.31440%0.4SS..Hα-helixtrans-57.3-45.9-179.5-179.670.5000112.2F512 E551 L558 R687 I688F512-L684 HydrophobicContact CD1-CD1 3.95Å; F512-L684 HydrophobicContact CE1-CD1 3.57Å; E551-L684 VanDerWaalsContact CD-N 3.28Å; E551-L684 HydrophobicContact CG-CB 4.27Å; E551-L684 PolarHBondContact OE1-N 3.08Å; E551-L684 PolarHBondContact OE2-N 3.46Å; E551-L684 VanDerWaalsContact OE2-N 3.15Å; L558-L684 HydrophobicContact CD1-CD2 4.37Å; L684-R687 PolarHBondContact O-N 3.19Å; L684-I688 HydrophobicContact CD1-CD1 4.26Å; L684-I688 HydrophobicContact CD2-CD1 4.32Å; L684-I688 HydrophobicContact CG-CD1 3.76Å; L684-I688 WeakPolarHBondContact O-CD1 3.33Å; L684-I688 VanDerWaalsContact O-CG1 3.25Å; L684-I688 WeakPolarHBondContact O-CG1 3.4Å; L684-I688 PolarHBondContact O-N 3.47Å
685L89.2Confident77.6Confident0 Ų065.4 Ų65.40%038%0.382CS..Hα-helixtrans-64-41.2179.2-75.9176.7000111.9F539 V541 L550 E551 L558 S683 R687 I688 F689F539-L685 HydrophobicContact CE2-CD1 4.29Å; F539-L685 HydrophobicContact CE2-CD2 4.49Å; F539-L685 HydrophobicContact CZ-CD1 4.11Å; F539-L685 HydrophobicContact CZ-CD2 3.83Å; V541-L685 HydrophobicContact CG2-CD1 4.15Å; L550-L685 HydrophobicContact CB-CD1 4.07Å; E551-L685 HydrophobicContact CG-CB 4.09Å; E551-L685 HydrophobicContact CG-CD1 3.66Å; E551-L685 HydrophobicContact CG-CG 3.47Å; E551-L685 VanDerWaalsContact CG-CG 3.47Å; E551-L685 WeakPolarHBondContact OE1-CB 3.37Å; E551-L685 PolarHBondContact OE1-N 2.88Å; L558-L685 HydrophobicContact CD1-CD2 4.48Å; L558-L685 HydrophobicContact CD2-CD2 4.18Å; S683-L685 VanDerWaalsContact C-N 3.35Å; S683-L685 PolarHBondContact O-N 2.8Å; L685-R687 VanDerWaalsContact C-N 3.27Å; L685-R687 PolarHBondContact O-N 3.12Å; L685-I688 HydrophobicContact CD2-CD1 4.47Å; L685-I688 PolarHBondContact O-N 3.32Å; L685-I688 VanDerWaalsContact O-N 3.13Å; L685-F689 HydrophobicContact CB-CD2 4.47Å; L685-F689 HydrophobicContact CB-CE2 3.85Å; L685-F689 HydrophobicContact CB-CZ 4.08Å; L685-F689 HydrophobicContact CD2-CZ 4.08Å; L685-F689 HydrophobicContact CG-CZ 4.47Å; L685-F689 WeakPolarHBondContact O-CD2 3.5Å; L685-F689 VanDerWaalsContact O-CG 3.22Å; L685-F689 WeakPolarHBondContact O-CG 3.37Å; L685-F689 PolarHBondContact O-N 3.2Å
686S87.4Confident78.2Confident14 Ų1465.7 Ų65.710%0.09837%0.371CS..Hα-helixtrans-57.4-42.9177.869.50000111.7E682 S683 F689 K690E682-S686 WeakPolarHBondContact CG-OG 3.48Å; S683-S686 PolarHBondContact N-OG 3.3Å; S683-S686 PolarHBondContact O-N 2.69Å; S683-S686 PolarHBondContact O-OG 2.82Å; S683-S686 PolarHBondContact OG-N 2.91Å; S683-S686 PolarHBondContact OG-OG 3.46Å; S686-F689 PolarHBondContact O-N 3.36Å; S686-K690 WeakPolarHBondContact O-CG 3.41Å; S686-K690 PolarHBondContact O-N 2.94Å; S686-K690 VanDerWaalsContact O-N 3.07Å
687R88.7Confident79.8Confident79 Ų7961.2 Ų61.230%0.29834%0.342SS..Hα-helixtrans-70.7-36177.2-63.516657.5-168.7-1.6112.4F512 E682 S683 L684 L685 F689 K690 W691F512-R687 HydrophobicContact CE2-CB 4.42Å; F512-R687 HydrophobicContact CZ-CB 3.68Å; E682-R687 HydrophobicContact CB-CG 4.09Å; S683-R687 PolarHBondContact O-N 2.85Å; L684-R687 PolarHBondContact O-N 3.19Å; L685-R687 VanDerWaalsContact C-N 3.27Å; L685-R687 PolarHBondContact O-N 3.12Å; R687-F689 VanDerWaalsContact C-N 3.34Å; R687-K690 PolarHBondContact O-N 3.4Å; R687-W691 PolarHBondContact O-N 2.91Å
688I89.6Confident81.6Confident2 Ų254.2 Ų54.21%0.0132%0.315CS..Hα-helixtrans-64.6-39.2174.1-69.2164.3000110.8F512 L515 A536 L684 L685 W691 R692F512-I688 HydrophobicContact CD1-CG1 4.44Å; F512-I688 HydrophobicContact CE1-CG1 4.36Å; F512-I688 HydrophobicContact CE2-CG1 4.5Å; F512-I688 HydrophobicContact CZ-CG1 4.38Å; L515-I688 HydrophobicContact CD1-CD1 3.52Å; L515-I688 HydrophobicContact CD1-CG1 3.7Å; L515-I688 HydrophobicContact CD1-CG2 4.38Å; A536-I688 HydrophobicContact CB-CD1 4.14Å; L684-I688 HydrophobicContact CD1-CD1 4.26Å; L684-I688 HydrophobicContact CD2-CD1 4.32Å; L684-I688 HydrophobicContact CG-CD1 3.76Å; L684-I688 WeakPolarHBondContact O-CD1 3.33Å; L684-I688 VanDerWaalsContact O-CG1 3.25Å; L684-I688 WeakPolarHBondContact O-CG1 3.4Å; L684-I688 PolarHBondContact O-N 3.47Å; L685-I688 HydrophobicContact CD2-CD1 4.47Å; L685-I688 PolarHBondContact O-N 3.32Å; L685-I688 VanDerWaalsContact O-N 3.13Å; I688-W691 WeakPolarHBondContact O-CB 3.12Å; I688-W691 PolarHBondContact O-N 3.13Å; I688-R692 PolarHBondContact O-N 3.15Å
689F88.4Confident83.3Confident20 Ų2056.2 Ų56.29%0.08831%0.309CS..Hα-helixtrans-68.4-42.3177.3-60.7-34.2000112F539 V541 L544 L685 S686 R687 W691 R692 D693F539-F689 HydrophobicContact CE2-CZ 4.25Å; F539-F689 VanDerWaalsContact O-CE1 3.24Å; F539-F689 WeakPolarHBondContact O-CE1 3.44Å; V541-F689 HydrophobicContact CB-CE2 3.96Å; V541-F689 HydrophobicContact CB-CZ 4.44Å; V541-F689 HydrophobicContact CG2-CE2 3.6Å; V541-F689 HydrophobicContact CG2-CZ 3.77Å; L544-F689 HydrophobicContact CD2-CD2 4.4Å; L685-F689 HydrophobicContact CB-CD2 4.47Å; L685-F689 HydrophobicContact CB-CE2 3.85Å; L685-F689 HydrophobicContact CB-CZ 4.08Å; L685-F689 HydrophobicContact CD2-CZ 4.08Å; L685-F689 HydrophobicContact CG-CZ 4.47Å; L685-F689 WeakPolarHBondContact O-CD2 3.5Å; L685-F689 VanDerWaalsContact O-CG 3.22Å; L685-F689 WeakPolarHBondContact O-CG 3.37Å; L685-F689 PolarHBondContact O-N 3.2Å; S686-F689 PolarHBondContact O-N 3.36Å; R687-F689 VanDerWaalsContact C-N 3.34Å; F689-W691 VanDerWaalsContact C-N 3.29Å; F689-W691 PolarHBondContact O-N 3.11Å; F689-R692 WeakPolarHBondContact O-CB 3.5Å; F689-R692 PolarHBondContact O-N 3.42Å; F689-R692 VanDerWaalsContact O-N 3.11Å; F689-D693 PolarHBondContact O-N 3.14Å
690K89.2Confident85.3Confident101 Ų10155.2 Ų55.244%0.43929%0.292SS..Hα-helixtrans-56.7-43.2170.6-72.4179.4-179.8177.90112.3L508 E682 S686 R687 D693 L694L508-K690 HydrophobicContact CD2-CB 4.17Å; E682-K690 WeakPolarHBondContact OE1-CE 3.36Å; E682-K690 IonicContact OE1-NZ 3.31Å; E682-K690 PolarHBondContact OE1-NZ 3.08Å; E682-K690 IonicContact OE2-NZ 2.92Å; E682-K690 PolarHBondContact OE2-NZ 3.31Å; S686-K690 WeakPolarHBondContact O-CG 3.41Å; S686-K690 PolarHBondContact O-N 2.94Å; S686-K690 VanDerWaalsContact O-N 3.07Å; R687-K690 PolarHBondContact O-N 3.4Å; K690-D693 PolarHBondContact O-N 3.44Å; K690-L694 WeakPolarHBondContact O-CG 3.46Å; K690-L694 PolarHBondContact O-N 3.46Å
691W90Very high87.4Confident4 Ų450.4 Ų50.42%0.01525%0.252CS..Hα-helixtrans-59.9-47174.6172.429.2000111.6L508 S509 F512 L515 R687 I688 F689 D693 L694 E695L508-W691 HydrophobicContact CB-CB 4.43Å; L508-W691 VanDerWaalsContact CD2-CA 3.49Å; L508-W691 HydrophobicContact CD2-CB 3.63Å; L508-W691 HydrophobicContact CG-CB 3.87Å; L508-W691 HydrophobicContact CG-CG 4.48Å; S509-W691 WeakPolarHBondContact OG-CZ2 3.48Å; F512-W691 HydrophobicContact CB-CZ3 4.14Å; F512-W691 HydrophobicContact CD2-CD2 4.42Å; F512-W691 AromaticContact CD2-CE3 3.8Å; F512-W691 HydrophobicContact CD2-CE3 3.8Å; F512-W691 HydrophobicContact CD2-CZ3 4.21Å; L515-W691 HydrophobicContact CB-CH2 4.23Å; L515-W691 HydrophobicContact CB-CZ3 3.87Å; L515-W691 HydrophobicContact CD1-CZ3 3.97Å; R687-W691 PolarHBondContact O-N 2.91Å; I688-W691 WeakPolarHBondContact O-CB 3.12Å; I688-W691 PolarHBondContact O-N 3.13Å; F689-W691 VanDerWaalsContact C-N 3.29Å; F689-W691 PolarHBondContact O-N 3.11Å; W691-D693 PolarHBondContact O-N 3.44Å; W691-L694 PolarHBondContact O-N 3.18Å; W691-E695 VanDerWaalsContact CE2-OE2 3.31Å; W691-E695 PolarHBondContact NE1-OE2 3.3Å; W691-E695 WeakPolarHBondContact O-CB 3.46Å; W691-E695 PolarHBondContact O-N 2.99Å
692R86.6Confident89.1Confident77 Ų7749.5 Ų49.529%0.29124%0.238SC..Hα-helixtrans-60.5-45.7177.6179.7-178.7162.1176.1-5.5112K537 I688 F689 L694 E695 D696K537-R692 PolarHBondContact O-NH1 3.03Å; K537-R692 VanDerWaalsContact O-NH1 3.1Å; I688-R692 PolarHBondContact O-N 3.15Å; F689-R692 WeakPolarHBondContact O-CB 3.5Å; F689-R692 PolarHBondContact O-N 3.42Å; F689-R692 VanDerWaalsContact O-N 3.11Å; R692-L694 VanDerWaalsContact C-N 3.29Å; R692-L694 PolarHBondContact O-N 3.12Å; R692-E695 WeakPolarHBondContact O-CB 3.35Å; R692-E695 PolarHBondContact O-N 2.96Å; R692-E695 VanDerWaalsContact O-N 3.12Å; R692-D696 IonicContact NE-OD2 2.94Å; R692-D696 WeakPolarHBondContact O-CB 3.46Å; R692-D696 PolarHBondContact O-N 3.32Å
693D89.5Confident90.1Very high71 Ų7149.7 Ų49.738%0.3824%0.239SC..Hα-helixtrans-61.9-39.1179.3-68.6-30.4000111.3R540 F689 K690 W691 A697R540-D693 IonicContact CZ-OD1 3.86Å; R540-D693 IonicContact NH1-OD1 3.94Å; R540-D693 PolarHBondContact NH1-OD1 3.34Å; R540-D693 IonicContact NH2-OD1 3.65Å; R540-D693 PolarHBondContact NH2-OD1 2.92Å; F689-D693 PolarHBondContact O-N 3.14Å; K690-D693 PolarHBondContact O-N 3.44Å; W691-D693 PolarHBondContact O-N 3.44Å; D693-A697 VanDerWaalsContact O-CB 3.31Å; D693-A697 WeakPolarHBondContact O-CB 3.45Å; D693-A697 PolarHBondContact O-N 3.39Å
694L92.1Very high90.6Very high41 Ų4151.1 Ų51.122%0.21525%0.245CC..Hα-helixtrans-66.6-38.2172.7-76.5170.1000112.9L501 Q504 A505 L508 K690 W691 R692 A697 A698L501-L694 HydrophobicContact CD2-CD2 4.29Å; Q504-L694 HydrophobicContact CB-CD1 4.3Å; Q504-L694 HydrophobicContact CB-CD2 4.34Å; A505-L694 HydrophobicContact CB-CB 4.21Å; L508-L694 HydrophobicContact CD2-CD1 4.05Å; K690-L694 WeakPolarHBondContact O-CG 3.46Å; K690-L694 PolarHBondContact O-N 3.46Å; W691-L694 PolarHBondContact O-N 3.18Å; R692-L694 VanDerWaalsContact C-N 3.29Å; R692-L694 PolarHBondContact O-N 3.12Å; L694-A697 PolarHBondContact O-N 2.98Å; L694-A698 VanDerWaalsContact O-CB 3.29Å; L694-A698 WeakPolarHBondContact O-CB 3.45Å; L694-A698 PolarHBondContact O-N 2.94Å
695E89.8Confident91Very high52 Ų5249.1 Ų49.124%0.24324%0.235CC..Hα-helixtrans-66.5-43.8176.7-166.7109.9-128.500111R502 K537 W691 R692 A697 A698 Q699R502-E695 IonicContact NH1-OE1 3.05Å; R502-E695 PolarHBondContact NH1-OE1 2.86Å; K537-E695 IonicContact NZ-OE2 3.93Å; W691-E695 VanDerWaalsContact CE2-OE2 3.31Å; W691-E695 PolarHBondContact NE1-OE2 3.3Å; W691-E695 WeakPolarHBondContact O-CB 3.46Å; W691-E695 PolarHBondContact O-N 2.99Å; R692-E695 WeakPolarHBondContact O-CB 3.35Å; R692-E695 PolarHBondContact O-N 2.96Å; R692-E695 VanDerWaalsContact O-N 3.12Å; E695-A697 VanDerWaalsContact C-N 3.34Å; E695-A698 PolarHBondContact O-N 3.43Å; E695-Q699 WeakPolarHBondContact O-CB 3.46Å; E695-Q699 PolarHBondContact O-N 3.07Å
696D89.6Confident91.1Very high59 Ų5953.1 Ų53.132%0.31626%0.259SS..Hα-helixtrans-63.5-40.3175.2-71.8-14.6000110.8R692 K700R692-D696 IonicContact NE-OD2 2.94Å; R692-D696 WeakPolarHBondContact O-CB 3.46Å; R692-D696 PolarHBondContact O-N 3.32Å; D696-K700 WeakPolarHBondContact O-CG 3.42Å; D696-K700 PolarHBondContact O-N 3.46Å
697A93.1Very high91.3Very high35 Ų3559.8 Ų59.829%0.28928%0.282SS..Hα-helixtrans-66.3-44.317500000112.2L501 D693 L694 E695 Q699 K700 A701L501-A697 HydrophobicContact CD1-CB 4.31Å; L501-A697 HydrophobicContact CD2-CB 4.32Å; D693-A697 VanDerWaalsContact O-CB 3.31Å; D693-A697 WeakPolarHBondContact O-CB 3.45Å; D693-A697 PolarHBondContact O-N 3.39Å; L694-A697 PolarHBondContact O-N 2.98Å; E695-A697 VanDerWaalsContact C-N 3.34Å; A697-Q699 VanDerWaalsContact C-N 3.33Å; A697-Q699 PolarHBondContact O-N 3.17Å; A697-K700 PolarHBondContact O-N 3.5Å; A697-A701 WeakPolarHBondContact O-CB 3.32Å; A697-A701 PolarHBondContact O-N 3.29Å
698A93.6Very high91.5Very high0 Ų056.3 Ų56.30%027%0.272CS..Hα-helixtrans-61.3-42.8176.400000111.4L501 R502 L694 E695 A701 E702L501-A698 HydrophobicContact CB-CB 3.91Å; R502-A698 HydrophobicContact CB-CB 4.36Å; L694-A698 VanDerWaalsContact O-CB 3.29Å; L694-A698 WeakPolarHBondContact O-CB 3.45Å; L694-A698 PolarHBondContact O-N 2.94Å; E695-A698 PolarHBondContact O-N 3.43Å; A698-A701 PolarHBondContact O-N 3.3Å; A698-E702 WeakPolarHBondContact O-CG 3.21Å; A698-E702 PolarHBondContact O-N 3.45Å
699Q91.8Very high91.5Very high98 Ų9860.8 Ų60.846%0.45829%0.293SS..Hα-helixtrans-63.1-45.6176.9-174.8175.7-18.100111.7E695 A697 A701 E702 E703E695-Q699 WeakPolarHBondContact O-CB 3.46Å; E695-Q699 PolarHBondContact O-N 3.07Å; A697-Q699 VanDerWaalsContact C-N 3.33Å; A697-Q699 PolarHBondContact O-N 3.17Å; Q699-A701 VanDerWaalsContact C-N 3.3Å; Q699-A701 PolarHBondContact O-N 3Å; Q699-E702 PolarHBondContact O-N 3.32Å; Q699-E703 PolarHBondContact NE2-OE1 2.97Å; Q699-E703 WeakPolarHBondContact O-CG 3.46Å; Q699-E703 PolarHBondContact O-N 3.42Å
700K94Very high91.6Very high136 Ų13662.5 Ų62.559%0.59131%0.31SS*.Hα-helixtrans-61-38.4174.6-74.8175.2-178.2175.10112.4D696 A697 E703 N704D696-K700 WeakPolarHBondContact O-CG 3.42Å; D696-K700 PolarHBondContact O-N 3.46Å; A697-K700 PolarHBondContact O-N 3.5Å; K700-E703 PolarHBondContact O-N 2.98Å; K700-N704 PolarHBondContact O-N 2.9Å; K700-N704 PolarHBondContact O-ND2 3.45Å
701A94.3Very high91.7Very high4 Ų461.4 Ų61.43%0.03331%0.309CS..Hα-helixtrans-65.4-39.517600000111.7A498 L501 A697 A698 Q699 N704 V705A498-A701 HydrophobicContact CB-CB 3.86Å; L501-A701 HydrophobicContact CD1-CB 3.81Å; A697-A701 WeakPolarHBondContact O-CB 3.32Å; A697-A701 PolarHBondContact O-N 3.29Å; A698-A701 PolarHBondContact O-N 3.3Å; Q699-A701 VanDerWaalsContact C-N 3.3Å; Q699-A701 PolarHBondContact O-N 3Å; A701-N704 WeakPolarHBondContact O-CB 3.49Å; A701-N704 PolarHBondContact O-N 3.06Å; A701-V705 WeakPolarHBondContact O-CG2 3.43Å; A701-V705 PolarHBondContact O-N 3Å
702E93.6Very high91.8Very high70 Ų7062.2 Ų62.233%0.32732%0.315SS..Hα-helixtrans-67.9-35.6174.1-72173.3-173.900113.2A498 R502 A698 Q699 N704 V705 T706A498-E702 HydrophobicContact CB-CG 4.14Å; R502-E702 IonicContact CZ-OE1 3.92Å; R502-E702 IonicContact CZ-OE2 2.64Å; R502-E702 IonicContact NE-OE1 2.73Å; R502-E702 PolarHBondContact NE-OE1 3.26Å; R502-E702 IonicContact NE-OE2 3.97Å; R502-E702 IonicContact NH2-OE1 3.19Å; R502-E702 PolarHBondContact NH2-OE1 3.41Å; R502-E702 IonicContact NH2-OE2 3.92Å; R502-E702 PolarHBondContact NH2-OE2 3.05Å; A698-E702 WeakPolarHBondContact O-CG 3.21Å; A698-E702 PolarHBondContact O-N 3.45Å; Q699-E702 PolarHBondContact O-N 3.32Å; E702-N704 VanDerWaalsContact C-N 3.3Å; E702-V705 WeakPolarHBondContact O-CB 3.16Å; E702-V705 PolarHBondContact O-N 3.34Å; E702-T706 PolarHBondContact O-N 3.34Å; E702-T706 PolarHBondContact O-OG1 2.92Å
703E93.2Very high91.9Very high101 Ų10165.1 Ų65.147%0.47233%0.329SS..Hα-helixtrans-63.1-37.2169.4-72.2172.4-17000111.4Q699 K700 T706 R707Q699-E703 PolarHBondContact NE2-OE1 2.97Å; Q699-E703 WeakPolarHBondContact O-CG 3.46Å; Q699-E703 PolarHBondContact O-N 3.42Å; K700-E703 PolarHBondContact O-N 2.98Å; E703-T706 VanDerWaalsContact CA-OG1 3.31Å; E703-T706 WeakPolarHBondContact CA-OG1 3.48Å; E703-T706 PolarHBondContact O-OG1 3.15Å; E703-R707 WeakPolarHBondContact O-CB 3.47Å; E703-R707 PolarHBondContact O-N 3.31Å
704N93.2Very high91.9Very high49 Ų4963.8 Ų63.826%0.26233%0.328SS..Hα-helixtrans-67.7-39173.1-66.1-27.8000111.9L494 K700 A701 E702 R707 G708L494-N704 HydrophobicContact CD2-CB 4.2Å; K700-N704 PolarHBondContact O-N 2.9Å; K700-N704 PolarHBondContact O-ND2 3.45Å; A701-N704 WeakPolarHBondContact O-CB 3.49Å; A701-N704 PolarHBondContact O-N 3.06Å; E702-N704 VanDerWaalsContact C-N 3.3Å; N704-R707 PolarHBondContact O-N 2.65Å; N704-R707 PolarHBondContact OD1-NH2 3.3Å; N704-G708 PolarHBondContact O-N 2.89Å
705V93.7Very high91.9Very high18 Ų1861.9 Ų61.911%0.10932%0.318CS..Hα-helixtrans-60.7-48.3174.6167.20000110.7Q491 L494 V495 A498 A701 E702 R707 G708 E709Q491-V705 PolarHBondContact NE2-O 2.94Å; Q491-V705 PolarHBondContact OE1-O 2.85Å; L494-V705 VanDerWaalsContact C-CG2 3.49Å; L494-V705 HydrophobicContact CB-CG2 3.93Å; L494-V705 WeakPolarHBondContact O-CG2 3.47Å; V495-V705 HydrophobicContact CG2-CG1 3.81Å; V495-V705 HydrophobicContact CG2-CG2 4.14Å; A498-V705 HydrophobicContact CB-CG2 3.72Å; A701-V705 WeakPolarHBondContact O-CG2 3.43Å; A701-V705 PolarHBondContact O-N 3Å; E702-V705 WeakPolarHBondContact O-CB 3.16Å; E702-V705 PolarHBondContact O-N 3.34Å; V705-R707 VanDerWaalsContact C-N 3.34Å; V705-R707 PolarHBondContact O-N 3.38Å; V705-G708 PolarHBondContact O-N 3.31Å; V705-E709 PolarHBondContact O-N 3.38Å
706T91.9Very high91.9Very high84 Ų8463.3 Ų63.352%0.51533%0.325SS..Hα-helixtrans-64.1-38.3178.342.20000112.2E702 E703 E709 A710E702-T706 PolarHBondContact O-N 3.34Å; E702-T706 PolarHBondContact O-OG1 2.92Å; E703-T706 VanDerWaalsContact CA-OG1 3.31Å; E703-T706 WeakPolarHBondContact CA-OG1 3.48Å; E703-T706 PolarHBondContact O-OG1 3.15Å; T706-E709 WeakPolarHBondContact O-CB 2.94Å; T706-E709 PolarHBondContact O-N 3.39Å; T706-A710 PolarHBondContact O-N 2.99Å
707R91.5Very high91.9Very high154 Ų15464.1 Ų64.158%0.58133%0.332SS*.Hα-helixtrans-64.5-42.4172.2-173172.965-136.1-5.4112.3E703 N704 V705 A710 N711E703-R707 WeakPolarHBondContact O-CB 3.47Å; E703-R707 PolarHBondContact O-N 3.31Å; N704-R707 PolarHBondContact O-N 2.65Å; N704-R707 PolarHBondContact OD1-NH2 3.3Å; V705-R707 VanDerWaalsContact C-N 3.34Å; V705-R707 PolarHBondContact O-N 3.38Å; R707-A710 WeakPolarHBondContact O-CB 3.36Å; R707-A710 PolarHBondContact O-N 3.1Å; R707-N711 PolarHBondContact O-N 2.93Å; R707-N711 VanDerWaalsContact O-N 3.12Å
708G92.1Very high91.9Very high7 Ų765 Ų657%0.07233%0.328CS..Hα-helixtrans-67.3-35.4177.900000112.9N704 V705 A710 N711 V712N704-G708 PolarHBondContact O-N 2.89Å; V705-G708 PolarHBondContact O-N 3.31Å; G708-A710 VanDerWaalsContact C-N 3.32Å; G708-A710 PolarHBondContact O-N 3.22Å; G708-N711 WeakPolarHBondContact O-CB 3.39Å; G708-N711 PolarHBondContact O-N 3.02Å; G708-N711 VanDerWaalsContact O-N 3.1Å; G708-V712 WeakPolarHBondContact O-CG2 3.43Å; G708-V712 PolarHBondContact O-N 2.96Å
709E91.2Very high91.7Very high96 Ų9667.3 Ų67.345%0.44934%0.344SS..Hα-helixtrans-58.2-42169.9-100.6168-147.500112.3V705 T706 N711 V712 K713V705-E709 PolarHBondContact O-N 3.38Å; T706-E709 WeakPolarHBondContact O-CB 2.94Å; T706-E709 PolarHBondContact O-N 3.39Å; E709-N711 VanDerWaalsContact C-N 3.33Å; E709-V712 PolarHBondContact O-N 3.19Å; E709-K713 PolarHBondContact O-N 2.69Å
710A90.3Very high91.6Very high55 Ų5568.2 Ų68.246%0.45535%0.348SS..Hα-helixtrans-64.1-38.6174.800000111.8T706 R707 G708 K713 A714T706-A710 PolarHBondContact O-N 2.99Å; R707-A710 WeakPolarHBondContact O-CB 3.36Å; R707-A710 PolarHBondContact O-N 3.1Å; G708-A710 VanDerWaalsContact C-N 3.32Å; G708-A710 PolarHBondContact O-N 3.22Å; A710-K713 PolarHBondContact O-N 3.04Å; A710-A714 WeakPolarHBondContact O-CB 3.49Å; A710-A714 PolarHBondContact O-N 3.42Å
711N90.8Very high91.5Very high79 Ų7965.9 Ų65.942%0.42234%0.342SS..Hα-helixtrans-65.8-41.3176.2-67.7-17.2000112.4R707 G708 E709 A714 A715R707-N711 PolarHBondContact O-N 2.93Å; R707-N711 VanDerWaalsContact O-N 3.12Å; G708-N711 WeakPolarHBondContact O-CB 3.39Å; G708-N711 PolarHBondContact O-N 3.02Å; G708-N711 VanDerWaalsContact O-N 3.1Å; E709-N711 VanDerWaalsContact C-N 3.33Å; N711-A714 PolarHBondContact O-N 3.3Å; N711-A715 WeakPolarHBondContact O-CB 3.49Å; N711-A715 PolarHBondContact O-N 2.88Å
712V91.2Very high91.4Very high21 Ų2166.4 Ų66.413%0.12734%0.344CS..Hα-helixtrans-63.6-43.6175.7173.80000110.8L487 Q491 G708 E709 A714 A715 Q716L487-V712 HydrophobicContact CB-CG2 4.21Å; Q491-V712 HydrophobicContact CB-CG2 3.97Å; Q491-V712 HydrophobicContact CG-CG2 4.33Å; G708-V712 WeakPolarHBondContact O-CG2 3.43Å; G708-V712 PolarHBondContact O-N 2.96Å; E709-V712 PolarHBondContact O-N 3.19Å; V712-A714 VanDerWaalsContact C-N 3.35Å; V712-A714 PolarHBondContact O-N 3.05Å; V712-A715 WeakPolarHBondContact O-CB 3.39Å; V712-A715 PolarHBondContact O-N 3.46Å; V712-Q716 PolarHBondContact O-N 2.8Å
713K90.1Very high91.3Very high137 Ų13766.4 Ų66.460%0.59635%0.352SS*.Hα-helixtrans-61-42.5174.1-76.6178.4-179.8171.70112.2E709 A710 A715 Q716 V717E709-K713 PolarHBondContact O-N 2.69Å; A710-K713 PolarHBondContact O-N 3.04Å; K713-A715 VanDerWaalsContact C-N 3.31Å; K713-A715 PolarHBondContact O-N 3.43Å; K713-Q716 WeakPolarHBondContact O-CB 3.44Å; K713-Q716 PolarHBondContact O-N 3.46Å; K713-V717 WeakPolarHBondContact O-CG2 3.35Å; K713-V717 PolarHBondContact O-N 3.35Å; K713-V717 VanDerWaalsContact O-N 3.12Å
714A89.9Confident91.3Very high44 Ų4467.1 Ų67.136%0.36436%0.355SS..Hα-helixtrans-63.1-38.3175.800000111.8A710 N711 V712 V717 R718A710-A714 WeakPolarHBondContact O-CB 3.49Å; A710-A714 PolarHBondContact O-N 3.42Å; N711-A714 PolarHBondContact O-N 3.3Å; V712-A714 VanDerWaalsContact C-N 3.35Å; V712-A714 PolarHBondContact O-N 3.05Å; A714-V717 PolarHBondContact O-N 3.02Å; A714-R718 WeakPolarHBondContact O-CG 3.49Å; A714-R718 PolarHBondContact O-N 3.14Å; A714-R718 VanDerWaalsContact O-N 3.08Å
715A90.8Very high91.3Very high0 Ų066.5 Ų66.50%035%0.351CS..Hα-helixtrans-66.1-39.6175.300000112.6E484 L487 N711 V712 K713 V717 R718 S719E484-A715 HydrophobicContact CB-CB 4.28Å; L487-A715 HydrophobicContact CD1-CB 3.68Å; N711-A715 WeakPolarHBondContact O-CB 3.49Å; N711-A715 PolarHBondContact O-N 2.88Å; V712-A715 WeakPolarHBondContact O-CB 3.39Å; V712-A715 PolarHBondContact O-N 3.46Å; K713-A715 VanDerWaalsContact C-N 3.31Å; K713-A715 PolarHBondContact O-N 3.43Å; A715-V717 PolarHBondContact O-N 3.45Å; A715-R718 PolarHBondContact O-N 2.95Å; A715-S719 WeakPolarHBondContact O-CB 3.36Å; A715-S719 PolarHBondContact O-N 2.83Å
716Q90Very high91.2Very high82 Ų8271.8 Ų71.838%0.38337%0.369SS..Hα-helixtrans-59.6-43.9173.2-82.1177.6-17.400112.4E484 V712 K713 R718 S719 Q720E484-Q716 VanDerWaalsContact CD-CG 3.46Å; E484-Q716 HydrophobicContact CG-CG 4.11Å; E484-Q716 WeakPolarHBondContact OE1-CG 3.43Å; E484-Q716 PolarHBondContact OE1-NE2 3.24Å; E484-Q716 VanDerWaalsContact OE1-NE2 3.08Å; V712-Q716 PolarHBondContact O-N 2.8Å; K713-Q716 WeakPolarHBondContact O-CB 3.44Å; K713-Q716 PolarHBondContact O-N 3.46Å; Q716-R718 VanDerWaalsContact C-N 3.33Å; Q716-R718 PolarHBondContact O-N 2.93Å; Q716-S719 WeakPolarHBondContact O-CB 3.46Å; Q716-S719 PolarHBondContact O-N 3.3Å; Q716-Q720 WeakPolarHBondContact O-CG 3.28Å; Q716-Q720 PolarHBondContact O-N 3.22Å
717V90.7Very high91.2Very high76 Ų7673 Ų7346%0.46137%0.37SS..Hα-helixtrans-62.4-41.6175.6174.40000111K713 A714 A715 Q720 N721K713-V717 WeakPolarHBondContact O-CG2 3.35Å; K713-V717 PolarHBondContact O-N 3.35Å; K713-V717 VanDerWaalsContact O-N 3.12Å; A714-V717 PolarHBondContact O-N 3.02Å; A715-V717 PolarHBondContact O-N 3.45Å; V717-Q720 PolarHBondContact O-N 3.49Å; V717-N721 WeakPolarHBondContact O-CB 3.28Å; V717-N721 PolarHBondContact O-N 2.9Å; V717-N721 PolarHBondContact O-ND2 2.95Å
718R91.9Very high91.2Very high54 Ų5467.5 Ų67.520%0.20436%0.357CS..Hα-helixtrans-62.9-45.6174.3-70.4-168-56.1-91.96.5112.1D478 G482 A714 A715 Q716 Q720 N721 I722D478-R718 IonicContact OD1-CZ 3.02Å; D478-R718 IonicContact OD1-NE 3.95Å; D478-R718 PolarHBondContact OD1-NE 2.94Å; D478-R718 IonicContact OD1-NH2 2.7Å; G482-R718 PolarHBondContact O-NH2 3.4Å; G482-R718 VanDerWaalsContact O-NH2 3.12Å; A714-R718 WeakPolarHBondContact O-CG 3.49Å; A714-R718 PolarHBondContact O-N 3.14Å; A714-R718 VanDerWaalsContact O-N 3.08Å; A715-R718 PolarHBondContact O-N 2.95Å; Q716-R718 VanDerWaalsContact C-N 3.33Å; Q716-R718 PolarHBondContact O-N 2.93Å; R718-Q720 VanDerWaalsContact C-N 3.33Å; R718-Q720 PolarHBondContact O-N 2.87Å; R718-N721 WeakPolarHBondContact O-CB 3.41Å; R718-N721 PolarHBondContact O-N 3.12Å; R718-N721 VanDerWaalsContact O-N 3.14Å; R718-I722 WeakPolarHBondContact O-CG1 3.43Å; R718-I722 PolarHBondContact O-N 2.94Å
719S89.8Confident91.3Very high49 Ų4967.6 Ų67.634%0.34336%0.356SS..Hα-helixtrans-57.4-45177.2-176.80000111.4E484 A715 Q716 I722 S723E484-S719 PolarHBondContact OE2-OG 3.42Å; A715-S719 WeakPolarHBondContact O-CB 3.36Å; A715-S719 PolarHBondContact O-N 2.83Å; Q716-S719 WeakPolarHBondContact O-CB 3.46Å; Q716-S719 PolarHBondContact O-N 3.3Å; S719-I722 PolarHBondContact O-N 3.42Å; S719-S723 PolarHBondContact O-N 3.18Å
720Q90.5Very high91.2Very high117 Ų11767.7 Ų67.755%0.54736%0.359SS..Hα-helixtrans-62.7-44.4173.1-72.5175.1-3.100112.3Q716 V717 R718 I722 S723 H724Q716-Q720 WeakPolarHBondContact O-CG 3.28Å; Q716-Q720 PolarHBondContact O-N 3.22Å; V717-Q720 PolarHBondContact O-N 3.49Å; R718-Q720 VanDerWaalsContact C-N 3.33Å; R718-Q720 PolarHBondContact O-N 2.87Å; Q720-I722 VanDerWaalsContact C-N 3.33Å; Q720-I722 PolarHBondContact O-N 3.41Å; Q720-S723 WeakPolarHBondContact O-CB 3.47Å; Q720-S723 PolarHBondContact O-N 2.92Å; Q720-H724 PolarHBondContact O-CD2 3.47Å; Q720-H724 PolarHBondContact O-N 3.1Å
721N91Very high91.3Very high86 Ų8669.1 Ų69.146%0.4636%0.359SS..Hα-helixtrans-61.5-41.2176.5-71.9-19.9000112.1V717 R718 S723 H724 L725V717-N721 WeakPolarHBondContact O-CB 3.28Å; V717-N721 PolarHBondContact O-N 2.9Å; V717-N721 PolarHBondContact O-ND2 2.95Å; R718-N721 WeakPolarHBondContact O-CB 3.41Å; R718-N721 PolarHBondContact O-N 3.12Å; R718-N721 VanDerWaalsContact O-N 3.14Å; N721-S723 VanDerWaalsContact C-N 3.35Å; N721-H724 PolarHBondContact O-N 3.02Å; N721-L725 WeakPolarHBondContact O-CB 3.35Å; N721-L725 VanDerWaalsContact O-CG 3.32Å; N721-L725 WeakPolarHBondContact O-CG 3.18Å; N721-L725 PolarHBondContact O-N 3.48Å
722I92.5Very high91.2Very high15 Ų1565.6 Ų65.68%0.07734%0.341CS..Hα-helixtrans-62.4-43.9174.4-70.9168.4000110L471 A474 E475 D478 R718 S719 Q720 L725 R726L471-I722 HydrophobicContact CD1-CG2 3.94Å; A474-I722 HydrophobicContact CB-CD1 4.49Å; A474-I722 HydrophobicContact CB-CG1 3.83Å; E475-I722 HydrophobicContact CG-CD1 4.4Å; E475-I722 HydrophobicContact CG-CG2 4.24Å; D478-I722 HydrophobicContact CB-CD1 3.89Å; R718-I722 WeakPolarHBondContact O-CG1 3.43Å; R718-I722 PolarHBondContact O-N 2.94Å; S719-I722 PolarHBondContact O-N 3.42Å; Q720-I722 VanDerWaalsContact C-N 3.33Å; Q720-I722 PolarHBondContact O-N 3.41Å; I722-L725 PolarHBondContact O-N 2.9Å; I722-R726 WeakPolarHBondContact O-CG 3.28Å; I722-R726 PolarHBondContact O-N 2.96Å
723S91.6Very high91.3Very high71 Ų7170.7 Ų70.750%0.49736%0.358SS..Hα-helixtrans-60-47.1175.5-1700000112S719 Q720 N721 L725 R726 E727S719-S723 PolarHBondContact O-N 3.18Å; Q720-S723 WeakPolarHBondContact O-CB 3.47Å; Q720-S723 PolarHBondContact O-N 2.92Å; N721-S723 VanDerWaalsContact C-N 3.35Å; S723-L725 PolarHBondContact O-N 3.28Å; S723-R726 PolarHBondContact O-N 3.31Å; S723-E727 PolarHBondContact O-N 3.02Å
724H92.4Very high91.2Very high115 Ų11569.7 Ų69.753%0.53236%0.355SS..Hα-helixtrans-63.5-38.7177.1-76.2-55.4000112.7Q720 N721 R726 E727 A728Q720-H724 PolarHBondContact O-CD2 3.47Å; Q720-H724 PolarHBondContact O-N 3.1Å; N721-H724 PolarHBondContact O-N 3.02Å; H724-R726 VanDerWaalsContact C-N 3.35Å; H724-E727 PolarHBondContact O-N 3.13Å; H724-A728 VanDerWaalsContact O-CB 3.28Å; H724-A728 WeakPolarHBondContact O-CB 3.46Å; H724-A728 PolarHBondContact O-N 3.41Å
725L93.2Very high91.1Very high36 Ų3673 Ų7319%0.18836%0.363CS..Hα-helixtrans-65.1-38.8175-76.3170000111.8L467 K470 L471 A474 N721 I722 S723 L729L467-L725 HydrophobicContact CD2-CD2 4.06Å; K470-L725 HydrophobicContact CB-CD1 4.38Å; K470-L725 HydrophobicContact CB-CD2 4.09Å; L471-L725 HydrophobicContact CB-CB 4.4Å; L471-L725 HydrophobicContact CD1-CB 3.92Å; A474-L725 HydrophobicContact CB-CD1 4.08Å; N721-L725 WeakPolarHBondContact O-CB 3.35Å; N721-L725 VanDerWaalsContact O-CG 3.32Å; N721-L725 WeakPolarHBondContact O-CG 3.18Å; N721-L725 PolarHBondContact O-N 3.48Å; I722-L725 PolarHBondContact O-N 2.9Å; S723-L725 PolarHBondContact O-N 3.28Å; L725-L729 VanDerWaalsContact O-CB 3.28Å; L725-L729 WeakPolarHBondContact O-CB 3.49Å; L725-L729 PolarHBondContact O-N 3.02Å
726R92.7Very high91.1Very high129 Ų12974 Ų7449%0.48737%0.368SS..Hα-helixtrans-64.3-45.4174.3-73.9176.7179.1175.80.2111.6L471 E475 I722 S723 H724 L729 D730L471-R726 HydrophobicContact CD1-CG 3.77Å; L471-R726 HydrophobicContact CD2-CG 3.85Å; L471-R726 HydrophobicContact CG-CG 4.49Å; E475-R726 IonicContact OE1-CZ 3.03Å; E475-R726 IonicContact OE1-NE 3.31Å; E475-R726 PolarHBondContact OE1-NE 3.47Å; E475-R726 IonicContact OE1-NH2 2.75Å; E475-R726 PolarHBondContact OE1-NH2 3.45Å; I722-R726 WeakPolarHBondContact O-CG 3.28Å; I722-R726 PolarHBondContact O-N 2.96Å; S723-R726 PolarHBondContact O-N 3.31Å; H724-R726 VanDerWaalsContact C-N 3.35Å; R726-L729 WeakPolarHBondContact O-CB 3.47Å; R726-L729 PolarHBondContact O-N 3.25Å; R726-D730 PolarHBondContact O-N 3.11Å
727E92Very high90.9Very high111 Ų11171.5 Ų71.552%0.51936%0.364SS..Hα-helixtrans-64.5-42.7177.5-169.6-178.9-174.900111.8S723 H724 L729 D730 N731S723-E727 PolarHBondContact O-N 3.02Å; H724-E727 PolarHBondContact O-N 3.13Å; E727-L729 VanDerWaalsContact C-N 3.33Å; E727-L729 PolarHBondContact O-N 2.99Å; E727-D730 PolarHBondContact O-N 3.36Å; E727-N731 WeakPolarHBondContact O-CB 3.35Å; E727-N731 VanDerWaalsContact O-CG 3.26Å; E727-N731 PolarHBondContact O-N 3.39Å; E727-N731 PolarHBondContact O-ND2 3.26Å
728A91.7Very high90.6Very high37 Ų3772 Ų7231%0.30636%0.364SS..Hα-helixtrans-62.2-40.3174.600000112L467 H724 N731 A732L467-A728 HydrophobicContact CD1-CB 4.27Å; L467-A728 HydrophobicContact CD2-CB 4.26Å; H724-A728 VanDerWaalsContact O-CB 3.28Å; H724-A728 WeakPolarHBondContact O-CB 3.46Å; H724-A728 PolarHBondContact O-N 3.41Å; A728-N731 PolarHBondContact O-N 3.03Å; A728-A732 WeakPolarHBondContact O-CB 3.32Å; A728-A732 PolarHBondContact O-N 2.85Å
729L92.9Very high90.3Very high10 Ų1070 Ų705%0.05236%0.357CS..Hα-helixtrans-63.2-46.3175.6-172.982.8000111.3I464 L467 T468 L471 L725 R726 E727 A732 R733I464-L729 HydrophobicContact CG2-CD1 4.07Å; L467-L729 HydrophobicContact CB-CD1 3.68Å; T468-L729 WeakPolarHBondContact OG1-CD1 3.05Å; L471-L729 HydrophobicContact CD2-CD2 4.33Å; L725-L729 VanDerWaalsContact O-CB 3.28Å; L725-L729 WeakPolarHBondContact O-CB 3.49Å; L725-L729 PolarHBondContact O-N 3.02Å; R726-L729 WeakPolarHBondContact O-CB 3.47Å; R726-L729 PolarHBondContact O-N 3.25Å; E727-L729 VanDerWaalsContact C-N 3.33Å; E727-L729 PolarHBondContact O-N 2.99Å; L729-A732 PolarHBondContact O-N 3.24Å; L729-R733 WeakPolarHBondContact O-CB 3.48Å; L729-R733 VanDerWaalsContact O-CG 3.3Å; L729-R733 WeakPolarHBondContact O-CG 3.5Å; L729-R733 PolarHBondContact O-N 2.94Å
730D90.1Very high89.9Confident98 Ų9870.9 Ų70.952%0.52436%0.356SS..Hα-helixtrans-65.3-40.2177.8-86.6-6.7000111.6R726 E727 R733 H734R726-D730 PolarHBondContact O-N 3.11Å; E727-D730 PolarHBondContact O-N 3.36Å; D730-R733 PolarHBondContact O-N 3.22Å; D730-H734 WeakPolarHBondContact O-CB 3.37Å; D730-H734 PolarHBondContact O-N 2.95Å
731N91.3Very high89.3Confident84 Ų8468.9 Ų68.945%0.44935%0.351SS..Hα-helixtrans-62.9-43.1174-76.1-29.2000112.1E727 A728 H734 Q735E727-N731 WeakPolarHBondContact O-CB 3.35Å; E727-N731 VanDerWaalsContact O-CG 3.26Å; E727-N731 PolarHBondContact O-N 3.39Å; E727-N731 PolarHBondContact O-ND2 3.26Å; A728-N731 PolarHBondContact O-N 3.03Å; N731-H734 PolarHBondContact O-N 3.49Å; N731-Q735 WeakPolarHBondContact O-CB 3.48Å; N731-Q735 WeakPolarHBondContact O-CG 3.29Å; N731-Q735 PolarHBondContact O-N 2.92Å
732A90.1Very high88.7Confident5 Ų570.4 Ų70.44%0.04136%0.356CS..Hα-helixtrans-64.5-42.4175.900000111.4L460 I464 L467 A728 L729 H734 Q735 L736L460-A732 WeakPolarHBondContact CD2-O 3.47Å; I464-A732 HydrophobicContact CD1-CB 4.44Å; I464-A732 HydrophobicContact CG1-CB 3.71Å; L467-A732 HydrophobicContact CD1-CB 4.07Å; A728-A732 WeakPolarHBondContact O-CB 3.32Å; A728-A732 PolarHBondContact O-N 2.85Å; L729-A732 PolarHBondContact O-N 3.24Å; A732-H734 VanDerWaalsContact C-N 3.31Å; A732-H734 PolarHBondContact O-N 2.91Å; A732-Q735 PolarHBondContact O-N 3.11Å; A732-L736 WeakPolarHBondContact O-CB 3.25Å; A732-L736 PolarHBondContact O-N 3.22Å
733R91.8Very high87.8Confident129 Ų12969.8 Ų69.849%0.48735%0.352SS..Hα-helixtrans-61.5-39.7173.3-75.1172.1172179.4-2.9112I464 L729 D730 L736 G737I464-R733 HydrophobicContact CD1-CG 4.06Å; I464-R733 HydrophobicContact CG1-CG 4.41Å; I464-R733 HydrophobicContact CG2-CG 4.45Å; L729-R733 WeakPolarHBondContact O-CB 3.48Å; L729-R733 VanDerWaalsContact O-CG 3.3Å; L729-R733 WeakPolarHBondContact O-CG 3.5Å; L729-R733 PolarHBondContact O-N 2.94Å; D730-R733 PolarHBondContact O-N 3.22Å; R733-L736 PolarHBondContact O-N 2.88Å; R733-G737 PolarHBondContact O-N 3.23Å
734H88Confident86.8Confident116 Ų11675 Ų7554%0.53736%0.361SS..Hα-helixtrans-67.3-44.8176.8-173.962.2000111.9D730 N731 A732 L736 G737 L738D730-H734 WeakPolarHBondContact O-CB 3.37Å; D730-H734 PolarHBondContact O-N 2.95Å; N731-H734 PolarHBondContact O-N 3.49Å; A732-H734 VanDerWaalsContact C-N 3.31Å; A732-H734 PolarHBondContact O-N 2.91Å; H734-L736 VanDerWaalsContact C-N 3.29Å; H734-L736 PolarHBondContact O-N 3.44Å; H734-G737 PolarHBondContact O-N 3.22Å; H734-G737 VanDerWaalsContact O-N 3.13Å; H734-L738 WeakPolarHBondContact O-CG 3.2Å; H734-L738 PolarHBondContact O-N 3.03Å
735Q88.3Confident85.7Confident113 Ų11376.6 Ų76.653%0.52837%0.369SS..Hα-helixtrans-59.6-40.4173.8-77.3-179.45.700111.9L460 N731 A732 G737 L738 L739L460-Q735 HydrophobicContact CD2-CB 3.6Å; N731-Q735 WeakPolarHBondContact O-CB 3.48Å; N731-Q735 WeakPolarHBondContact O-CG 3.29Å; N731-Q735 PolarHBondContact O-N 2.92Å; A732-Q735 PolarHBondContact O-N 3.11Å; Q735-G737 VanDerWaalsContact C-N 3.34Å; Q735-L738 PolarHBondContact O-N 3.18Å; Q735-L739 WeakPolarHBondContact O-CB 3.39Å; Q735-L739 PolarHBondContact O-N 3.49Å
736L90Very high84.7Confident22 Ų2277.2 Ų77.212%0.11537%0.374CS..Hα-helixtrans-61.2-46.1174.3-177.567.2000110Q457 L460 T461 I464 A732 R733 H734 L738 L739 E740Q457-L736 HydrophobicContact CB-CD1 4.49Å; Q457-L736 HydrophobicContact CG-CD1 3.54Å; L460-L736 HydrophobicContact CB-CD1 4.1Å; L460-L736 HydrophobicContact CD2-CB 4Å; T461-L736 HydrophobicContact CG2-CD1 4.16Å; T461-L736 HydrophobicContact CG2-CD2 3.96Å; I464-L736 HydrophobicContact CD1-CB 4.11Å; I464-L736 HydrophobicContact CD1-CD2 3.71Å; A732-L736 WeakPolarHBondContact O-CB 3.25Å; A732-L736 PolarHBondContact O-N 3.22Å; R733-L736 PolarHBondContact O-N 2.88Å; H734-L736 VanDerWaalsContact C-N 3.29Å; H734-L736 PolarHBondContact O-N 3.44Å; L736-L738 PolarHBondContact O-N 2.98Å; L736-L739 PolarHBondContact O-N 2.94Å; L736-E740 WeakPolarHBondContact O-CB 3.35Å; L736-E740 VanDerWaalsContact O-CG 3.28Å; L736-E740 WeakPolarHBondContact O-CG 3.37Å; L736-E740 PolarHBondContact O-N 3.07Å
737G85.6Confident83.5Confident28 Ų2876 Ų7629%0.28938%0.378SS..Hα-helixtrans-60-42175.400000113.6R733 H734 Q735 T741R733-G737 PolarHBondContact O-N 3.23Å; H734-G737 PolarHBondContact O-N 3.22Å; H734-G737 VanDerWaalsContact O-N 3.13Å; Q735-G737 VanDerWaalsContact C-N 3.34Å; G737-T741 PolarHBondContact O-N 2.77Å; G737-T741 PolarHBondContact O-OG1 3.42Å
738L85.9Confident82.4Confident87 Ų8774 Ų7446%0.45537%0.367SS..Hα-helixtrans-65.4-43.7175.2-70.6175.4000111.9H734 Q735 L736 T741 Q742H734-L738 WeakPolarHBondContact O-CG 3.2Å; H734-L738 PolarHBondContact O-N 3.03Å; Q735-L738 PolarHBondContact O-N 3.18Å; L736-L738 PolarHBondContact O-N 2.98Å; L738-T741 CarbonylContact O-C 3.52Å; L738-T741 WeakPolarHBondContact O-CA 3.34Å; L738-T741 WeakPolarHBondContact O-CB 3.46Å; L738-T741 PolarHBondContact O-N 3.38Å; L738-T741 VanDerWaalsContact O-N 3.14Å; L738-Q742 WeakPolarHBondContact O-CG 3.42Å; L738-Q742 PolarHBondContact O-N 2.92Å
739L84.6Confident81.3Confident11 Ų1174.1 Ų74.16%0.05836%0.362CS..Hα-helixtrans-63-44.2177.2-176.668.9000110.8E453 K456 Q457 L460 Q735 L736 T741 Q742 M743E453-L739 HydrophobicContact CB-CD1 4.36Å; K456-L739 HydrophobicContact CB-CD2 4.09Å; K456-L739 HydrophobicContact CD-CD1 4.5Å; K456-L739 HydrophobicContact CG-CD2 4.21Å; Q457-L739 HydrophobicContact CB-CD2 3.97Å; L460-L739 HydrophobicContact CD1-CD2 4.3Å; Q735-L739 WeakPolarHBondContact O-CB 3.39Å; Q735-L739 PolarHBondContact O-N 3.49Å; L736-L739 PolarHBondContact O-N 2.94Å; L739-T741 PolarHBondContact O-N 2.88Å; L739-Q742 PolarHBondContact O-N 2.88Å; L739-Q742 VanDerWaalsContact O-N 3.13Å; L739-M743 HydrophobicContact CD1-SD 4.5Å; L739-M743 HydrophobicContact CD2-SD 4.32Å; L739-M743 HydrophobicContact CG-CG 4.45Å; L739-M743 HydrophobicContact CG-SD 3.89Å; L739-M743 WeakPolarHBondContact O-CB 3.4Å; L739-M743 VanDerWaalsContact O-CG 3.29Å; L739-M743 WeakPolarHBondContact O-CG 3.43Å; L739-M743 PolarHBondContact O-N 3.27Å
740E81Confident80.2Confident69 Ų6979.9 Ų79.932%0.32238%0.383SS..Hα-helixtrans-59.3-35.8173.4-75.4177.4174.900111.5Q457 L736 R744Q457-E740 PolarHBondContact NE2-OE1 2.92Å; L736-E740 WeakPolarHBondContact O-CB 3.35Å; L736-E740 VanDerWaalsContact O-CG 3.28Å; L736-E740 WeakPolarHBondContact O-CG 3.37Å; L736-E740 PolarHBondContact O-N 3.07Å; E740-R744 VanDerWaalsContact O-CG 3.28Å; E740-R744 WeakPolarHBondContact O-CG 3.38Å; E740-R744 PolarHBondContact O-N 2.89Å; E740-R744 VanDerWaalsContact O-N 3.13Å
741T78.8Confident79.3Confident74 Ų7477.2 Ų77.245%0.45437%0.368SS..Hα-helixtrans-69.1-41.4175-49.40000111.8G737 L738 L739 R744G737-T741 PolarHBondContact O-N 2.77Å; G737-T741 PolarHBondContact O-OG1 3.42Å; L738-T741 CarbonylContact O-C 3.52Å; L738-T741 WeakPolarHBondContact O-CA 3.34Å; L738-T741 WeakPolarHBondContact O-CB 3.46Å; L738-T741 PolarHBondContact O-N 3.38Å; L738-T741 VanDerWaalsContact O-N 3.14Å; L739-T741 PolarHBondContact O-N 2.88Å; T741-R744 PolarHBondContact O-N 3.17Å
742Q78.1Confident78.4Confident118 Ų11875.3 Ų75.355%0.55135%0.354SS*.Hα-helixtrans-67.5-41.6175.8-73.3179.3-13.100112.2L738 L739 R744 Q745 T746L738-Q742 WeakPolarHBondContact O-CG 3.42Å; L738-Q742 PolarHBondContact O-N 2.92Å; L739-Q742 PolarHBondContact O-N 2.88Å; L739-Q742 VanDerWaalsContact O-N 3.13Å; Q742-R744 VanDerWaalsContact C-N 3.26Å; Q742-R744 PolarHBondContact O-N 2.91Å; Q742-Q745 WeakPolarHBondContact O-CA 3.44Å; Q742-Q745 WeakPolarHBondContact O-CB 3.43Å; Q742-Q745 PolarHBondContact O-N 2.99Å; Q742-T746 PolarHBondContact O-N 2.94Å
743M74.8Confident77.4Confident2 Ų276.9 Ų76.91%0.0137%0.368CS..Hα-helixtrans-59.4-38.8175.2-76.1171.573.900110.7E453 E454 Q457 L739 Q745 T746 H749E453-M743 HydrophobicContact CB-CE 4.3Å; E453-M743 HydrophobicContact CB-CG 3.56Å; E453-M743 HydrophobicContact CB-SD 3.81Å; E453-M743 HydrophobicContact CG-CG 4.27Å; E454-M743 HydrophobicContact CB-CE 4.35Å; E454-M743 HydrophobicContact CG-CE 3.68Å; Q457-M743 HydrophobicContact CB-CE 4.45Å; Q457-M743 HydrophobicContact CB-SD 4.21Å; L739-M743 HydrophobicContact CD1-SD 4.5Å; L739-M743 HydrophobicContact CD2-SD 4.32Å; L739-M743 HydrophobicContact CG-CG 4.45Å; L739-M743 HydrophobicContact CG-SD 3.89Å; L739-M743 WeakPolarHBondContact O-CB 3.4Å; L739-M743 VanDerWaalsContact O-CG 3.29Å; L739-M743 WeakPolarHBondContact O-CG 3.43Å; L739-M743 PolarHBondContact O-N 3.27Å; M743-Q745 PolarHBondContact O-N 3.21Å; M743-Q745 VanDerWaalsContact O-N 3.12Å; M743-T746 PolarHBondContact O-N 2.83Å; M743-T746 PolarHBondContact O-OG1 3.02Å; M743-T746 VanDerWaalsContact O-OG1 3.12Å; M743-H749 WeakPolarHBondContact CE-CD2 3.33Å; M743-H749 WeakPolarHBondContact CE-NE2 3.43Å; M743-H749 WeakPolarHBondContact O-CB 3.46Å
744R69.1Low76.5Confident180 Ų18073.5 Ų73.568%0.67936%0.359SS*.THydrogen-bonded Turntrans-61.4-20.3172.8-72.2172.1-168.4-165.94.9114.2E740 T741 Q742E740-R744 VanDerWaalsContact O-CG 3.28Å; E740-R744 WeakPolarHBondContact O-CG 3.38Å; E740-R744 PolarHBondContact O-N 2.89Å; E740-R744 VanDerWaalsContact O-N 3.13Å; T741-R744 PolarHBondContact O-N 3.17Å; Q742-R744 VanDerWaalsContact C-N 3.26Å; Q742-R744 PolarHBondContact O-N 2.91Å
745Q70.1Confident76Confident149 Ų14969 Ų6970%0.69634%0.339SS*.THydrogen-bonded Turntrans-90.7-18.7-178.4-65.4179.5-6.500114.1Q742 M743Q742-Q745 WeakPolarHBondContact O-CA 3.44Å; Q742-Q745 WeakPolarHBondContact O-CB 3.43Å; Q742-Q745 PolarHBondContact O-N 2.99Å; M743-Q745 PolarHBondContact O-N 3.21Å; M743-Q745 VanDerWaalsContact O-N 3.12Å
746T71.7Confident75.4Confident49 Ų4966 Ų6630%0.30133%0.334SS..SBendtrans-81.8128.7-179.450.60000111Q742 M743 K748 H749 R750Q742-T746 PolarHBondContact O-N 2.94Å; M743-T746 PolarHBondContact O-N 2.83Å; M743-T746 PolarHBondContact O-OG1 3.02Å; M743-T746 VanDerWaalsContact O-OG1 3.12Å; T746-K748 PolarHBondContact O-N 3.45Å; T746-K748 VanDerWaalsContact O-N 3.1Å; T746-H749 PolarHBondContact O-N 3.38Å; T746-H749 WeakPolarHBondContact OG1-CB 3.2Å; T746-R750 WeakPolarHBondContact O-CB 3.4Å; T746-R750 PolarHBondContact O-N 2.93Å
747D68.6Low74.7Confident105 Ų10567.5 Ų67.556%0.56135%0.349SS*.Hα-helixtrans-54.8-36.2-175.3-73.4-34000113.2R750 L751D747-R750 PolarHBondContact O-N 3.3Å; D747-R750 IonicContact OD1-NH1 3.04Å; D747-L751 WeakPolarHBondContact O-CB 3.31Å; D747-L751 WeakPolarHBondContact O-CD1 3.42Å; D747-L751 VanDerWaalsContact O-CG 3.29Å; D747-L751 WeakPolarHBondContact O-CG 3.35Å; D747-L751 PolarHBondContact O-N 3.2Å
748K67.6Low74.4Confident67 Ų6766.6 Ų66.629%0.29134%0.338SS..Hα-helixtrans-63.4-45.9177.7-172.7179-178.2-177.90111.9F442 T746 R752F442-K748 HydrophobicContact CD1-CB 4.44Å; F442-K748 HydrophobicContact CD1-CD 4.02Å; F442-K748 HydrophobicContact CD1-CG 3.97Å; F442-K748 HydrophobicContact CD2-CG 4.34Å; F442-K748 HydrophobicContact CE1-CB 3.73Å; F442-K748 HydrophobicContact CE1-CD 4.12Å; F442-K748 HydrophobicContact CE1-CG 3.76Å; F442-K748 HydrophobicContact CE2-CB 4.33Å; F442-K748 HydrophobicContact CE2-CG 4.14Å; F442-K748 HydrophobicContact CG-CG 4.26Å; F442-K748 HydrophobicContact CZ-CB 3.67Å; F442-K748 HydrophobicContact CZ-CG 3.85Å; T746-K748 PolarHBondContact O-N 3.45Å; T746-K748 VanDerWaalsContact O-N 3.1Å; K748-R752 WeakPolarHBondContact O-CB 3.42Å; K748-R752 PolarHBondContact O-N 3.21Å; K748-R752 VanDerWaalsContact O-N 3.12Å
749H68.8Low74.1Confident41 Ų4166.9 Ų66.919%0.1934%0.335CS..Hα-helixtrans-76.1-33.6178.5-168.2-51.4000110.9M743 T746 R752 A753M743-H749 WeakPolarHBondContact CE-CD2 3.33Å; M743-H749 WeakPolarHBondContact CE-NE2 3.43Å; M743-H749 WeakPolarHBondContact O-CB 3.46Å; T746-H749 PolarHBondContact O-N 3.38Å; T746-H749 WeakPolarHBondContact OG1-CB 3.2Å; H749-R752 PolarHBondContact O-N 3.25Å; H749-A753 WeakPolarHBondContact O-CB 3.47Å; H749-A753 PolarHBondContact O-N 3.01Å
750R69.9Low73.6Confident131 Ų13170.3 Ų70.349%0.49435%0.354SS..Hα-helixtrans-59.5-50.5173-155-176.993.4-158.58.7110.5T746 D747 R752 A753 D754T746-R750 WeakPolarHBondContact O-CB 3.4Å; T746-R750 PolarHBondContact O-N 2.93Å; D747-R750 PolarHBondContact O-N 3.3Å; D747-R750 IonicContact OD1-NH1 3.04Å; R750-R752 PolarHBondContact O-N 3.46Å; R750-A753 CarbonylContact O-C 3.58Å; R750-A753 PolarHBondContact O-N 2.9Å; R750-D754 IonicContact NE-OD2 3.61Å; R750-D754 VanDerWaalsContact O-CB 3.27Å; R750-D754 WeakPolarHBondContact O-CB 3.5Å; R750-D754 PolarHBondContact O-N 2.94Å
751L71.1Confident73.6Confident41 Ų4170.1 Ų70.122%0.21535%0.353CS..Hα-helixtrans-64.6-35.4178-74163.6000113.4V438 F442 D747 L755V438-L751 HydrophobicContact CG2-CB 3.87Å; F442-L751 HydrophobicContact CE2-CD1 3.78Å; F442-L751 HydrophobicContact CZ-CD1 4.16Å; D747-L751 WeakPolarHBondContact O-CB 3.31Å; D747-L751 WeakPolarHBondContact O-CD1 3.42Å; D747-L751 VanDerWaalsContact O-CG 3.29Å; D747-L751 WeakPolarHBondContact O-CG 3.35Å; D747-L751 PolarHBondContact O-N 3.2Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 PolarHBondContact O-N 3.38Å
752R72.1Confident73.9Confident44 Ų4467.6 Ų67.617%0.16634%0.337CS..Hα-helixtrans-70.3-42.3173.4-103.4-177.3161.9172.2-3.8112.3S446 I447 G449 E454 K748 H749 R750 D754 L755 A756S446-R752 PolarHBondContact O-NE 2.91Å; S446-R752 PolarHBondContact O-NH2 2.94Å; I447-R752 PolarHBondContact O-NH2 3.39Å; G449-R752 PolarHBondContact O-NH1 3.4Å; G449-R752 PolarHBondContact O-NH2 3.31Å; E454-R752 IonicContact OE1-NH1 3.69Å; E454-R752 PolarHBondContact OE1-NH1 2.72Å; E454-R752 IonicContact OE2-NH1 3.99Å; E454-R752 PolarHBondContact OE2-NH1 3.18Å; K748-R752 WeakPolarHBondContact O-CB 3.42Å; K748-R752 PolarHBondContact O-N 3.21Å; K748-R752 VanDerWaalsContact O-N 3.12Å; H749-R752 PolarHBondContact O-N 3.25Å; R750-R752 PolarHBondContact O-N 3.46Å; R752-D754 VanDerWaalsContact C-N 3.32Å; R752-L755 WeakPolarHBondContact O-CB 3.4Å; R752-L755 PolarHBondContact O-N 2.9Å; R752-A756 WeakPolarHBondContact O-CB 3.46Å; R752-A756 PolarHBondContact O-N 3.27Å
753A70.6Confident73.9Confident39 Ų3968.5 Ų68.532%0.32234%0.339SS..Hα-helixtrans-66.6-37.9175.900000110.4H749 R750 L755 A756 A757H749-A753 WeakPolarHBondContact O-CB 3.47Å; H749-A753 PolarHBondContact O-N 3.01Å; R750-A753 CarbonylContact O-C 3.58Å; R750-A753 PolarHBondContact O-N 2.9Å; A753-L755 VanDerWaalsContact C-N 3.33Å; A753-A756 PolarHBondContact O-N 3.33Å; A753-A757 WeakPolarHBondContact O-CA 3.5Å; A753-A757 WeakPolarHBondContact O-CB 3.35Å; A753-A757 PolarHBondContact O-N 3Å
754D72.9Confident74.2Confident58 Ų5874.2 Ų74.231%0.3137%0.365SS..Hα-helixtrans-62.6-41.5173.4-67.8-18.9000110.1Q434 R750 R752 A757 T758Q434-D754 PolarHBondContact OE1-O 3.32Å; R750-D754 IonicContact NE-OD2 3.61Å; R750-D754 VanDerWaalsContact O-CB 3.27Å; R750-D754 WeakPolarHBondContact O-CB 3.5Å; R750-D754 PolarHBondContact O-N 2.94Å; R752-D754 VanDerWaalsContact C-N 3.32Å; D754-A757 PolarHBondContact O-N 3.03Å; D754-T758 WeakPolarHBondContact O-CB 3.37Å; D754-T758 WeakPolarHBondContact O-CG2 3.46Å; D754-T758 PolarHBondContact O-N 3.44Å; D754-T758 PolarHBondContact O-OG1 2.88Å
755L76.8Confident74.9Confident20 Ų2066.1 Ų66.111%0.10534%0.336CS..Hα-helixtrans-64.6-45.5173.8-97.5176.5000113.3L431 Q434 E435 V438 L751 R752 A753 A757 T758 K759L431-L755 HydrophobicContact CD1-CD2 3.83Å; Q434-L755 HydrophobicContact CB-CD2 3.67Å; Q434-L755 HydrophobicContact CB-CG 3.92Å; E435-L755 HydrophobicContact CB-CD2 4.3Å; E435-L755 HydrophobicContact CG-CD1 4.36Å; E435-L755 HydrophobicContact CG-CD2 3.4Å; E435-L755 VanDerWaalsContact CG-CD2 3.4Å; V438-L755 HydrophobicContact CB-CD1 3.86Å; V438-L755 HydrophobicContact CG1-CD1 4.18Å; V438-L755 HydrophobicContact CG2-CD1 3.57Å; V438-L755 HydrophobicContact CG2-CG 4.41Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 PolarHBondContact O-N 3.38Å; R752-L755 WeakPolarHBondContact O-CB 3.4Å; R752-L755 PolarHBondContact O-N 2.9Å; A753-L755 VanDerWaalsContact C-N 3.33Å; L755-A757 VanDerWaalsContact C-N 3.35Å; L755-T758 WeakPolarHBondContact CA-OG1 3.44Å; L755-T758 PolarHBondContact O-OG1 3.29Å; L755-K759 WeakPolarHBondContact O-CG 3.31Å; L755-K759 PolarHBondContact O-N 2.67Å
756A74.9Confident75.5Confident51 Ų5162.9 Ų62.942%0.42132%0.321SS..Hα-helixtrans-65.1-42.9176.400000110.6R752 A753 K759 D760R752-A756 WeakPolarHBondContact O-CB 3.46Å; R752-A756 PolarHBondContact O-N 3.27Å; A753-A756 PolarHBondContact O-N 3.33Å; A756-K759 WeakPolarHBondContact O-CB 3.3Å; A756-K759 PolarHBondContact O-N 3.49Å; A756-D760 PolarHBondContact O-N 3.39Å
757A76.2Confident75.9Confident53 Ų5366.7 Ų66.744%0.43834%0.336SS..Hα-helixtrans-65.4-41.1178.800000111.4A753 D754 L755 D760 E761A753-A757 WeakPolarHBondContact O-CA 3.5Å; A753-A757 WeakPolarHBondContact O-CB 3.35Å; A753-A757 PolarHBondContact O-N 3Å; D754-A757 PolarHBondContact O-N 3.03Å; L755-A757 VanDerWaalsContact C-N 3.35Å; A757-D760 PolarHBondContact O-N 2.96Å; A757-E761 WeakPolarHBondContact O-CA 3.33Å; A757-E761 WeakPolarHBondContact O-CB 3.29Å; A757-E761 PolarHBondContact O-N 3.49Å
758T79Confident76.4Confident9 Ų964 Ų646%0.05533%0.325CS..Hα-helixtrans-67.7-35.2173.942.40000111.9L427 L431 Q434 D754 L755 L762L427-T758 HydrophobicContact CD2-CG2 4.27Å; L431-T758 WeakPolarHBondContact CD1-OG1 3.42Å; Q434-T758 PolarHBondContact OE1-OG1 3.27Å; D754-T758 WeakPolarHBondContact O-CB 3.37Å; D754-T758 WeakPolarHBondContact O-CG2 3.46Å; D754-T758 PolarHBondContact O-N 3.44Å; D754-T758 PolarHBondContact O-OG1 2.88Å; L755-T758 WeakPolarHBondContact CA-OG1 3.44Å; L755-T758 PolarHBondContact O-OG1 3.29Å; T758-L762 VanDerWaalsContact O-CB 3.23Å; T758-L762 WeakPolarHBondContact O-CB 3.45Å; T758-L762 PolarHBondContact O-N 3.2Å
759K79.3Confident77.2Confident93 Ų9361.9 Ų61.940%0.40432%0.316SS..Hα-helixtrans-64.5-43.6171.9-76.3-173.8179.3178.10112.3L431 E435 L755 A756 K763L431-K759 HydrophobicContact CD1-CB 4.42Å; L431-K759 HydrophobicContact CD1-CD 4.27Å; L431-K759 HydrophobicContact CD1-CG 3.36Å; L431-K759 HydrophobicContact CD2-CG 4.06Å; L431-K759 HydrophobicContact CG-CG 4.34Å; E435-K759 WeakPolarHBondContact OE1-CE 3.35Å; E435-K759 IonicContact OE1-NZ 3Å; E435-K759 PolarHBondContact OE1-NZ 3.07Å; L755-K759 WeakPolarHBondContact O-CG 3.31Å; L755-K759 PolarHBondContact O-N 2.67Å; A756-K759 WeakPolarHBondContact O-CB 3.3Å; A756-K759 PolarHBondContact O-N 3.49Å; K759-K763 PolarHBondContact O-N 2.94Å; K759-K763 VanDerWaalsContact O-N 3.1Å
760D75.3Confident77.6Confident84 Ų8468.9 Ų68.945%0.44934%0.341SS..Hα-helixtrans-72.8-39.7178.5-76.8-15.3000111.6A756 A757 L762 K763 Q764A756-D760 PolarHBondContact O-N 3.39Å; A757-D760 PolarHBondContact O-N 2.96Å; D760-L762 VanDerWaalsContact C-N 3.29Å; D760-L762 PolarHBondContact O-N 3.41Å; D760-K763 PolarHBondContact O-N 3.47Å; D760-Q764 WeakPolarHBondContact O-CB 3.31Å; D760-Q764 VanDerWaalsContact O-CG 3.31Å; D760-Q764 WeakPolarHBondContact O-CG 3.38Å; D760-Q764 PolarHBondContact O-N 3.32Å
761E79.5Confident78.2Confident64 Ų6466.8 Ų66.830%0.29934%0.34SS..Hα-helixtrans-61.7-39.5173.1-167.1-173.9163.600110R423 L427 A757 Q764 V765R423-E761 IonicContact CZ-OE1 3.58Å; R423-E761 IonicContact NE-OE1 2.67Å; R423-E761 PolarHBondContact NE-OE1 3.5Å; R423-E761 VanDerWaalsContact NE-OE1 3.15Å; R423-E761 IonicContact NH2-OE1 3.11Å; R423-E761 PolarHBondContact NH2-OE1 2.94Å; R423-E761 IonicContact NH2-OE2 3.21Å; L427-E761 HydrophobicContact CD1-CB 4.24Å; L427-E761 HydrophobicContact CD1-CG 3.74Å; L427-E761 HydrophobicContact CD2-CG 4.36Å; A757-E761 WeakPolarHBondContact O-CA 3.33Å; A757-E761 WeakPolarHBondContact O-CB 3.29Å; A757-E761 PolarHBondContact O-N 3.49Å; E761-Q764 PolarHBondContact O-N 2.85Å; E761-V765 HydrophobicContact CG-CG2 4.38Å; E761-V765 VanDerWaalsContact O-CB 3.31Å; E761-V765 WeakPolarHBondContact O-CB 3.44Å; E761-V765 WeakPolarHBondContact O-CG2 3.15Å; E761-V765 PolarHBondContact O-N 3.32Å
762L85.4Confident78.5Confident22 Ų2264.9 Ų64.912%0.11533%0.33CS..Hα-helixtrans-62.8-46.2174.7-175.568.9000111.6Q424 L427 Q428 L431 T758 D760 Q764 V765 E766Q424-L762 HydrophobicContact CG-CD1 3.9Å; L427-L762 HydrophobicContact CB-CD1 3.92Å; Q428-L762 HydrophobicContact CG-CD1 3.66Å; Q428-L762 HydrophobicContact CG-CD2 3.94Å; Q428-L762 HydrophobicContact CG-CG 4.48Å; L431-L762 HydrophobicContact CD2-CD2 4.42Å; T758-L762 VanDerWaalsContact O-CB 3.23Å; T758-L762 WeakPolarHBondContact O-CB 3.45Å; T758-L762 PolarHBondContact O-N 3.2Å; D760-L762 VanDerWaalsContact C-N 3.29Å; D760-L762 PolarHBondContact O-N 3.41Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3Å; L762-V765 PolarHBondContact O-N 3.44Å; L762-E766 WeakPolarHBondContact O-CG 3.43Å; L762-E766 PolarHBondContact O-N 3.45Å
763K79.1Confident78.9Confident136 Ų13667 Ų6759%0.59134%0.342SS*.Hα-helixtrans-60.6-43.3174.6-75.5178.6-179.5171.70111.9K759 D760 E766 E767K759-K763 PolarHBondContact O-N 2.94Å; K759-K763 VanDerWaalsContact O-N 3.1Å; D760-K763 PolarHBondContact O-N 3.47Å; K763-E766 WeakPolarHBondContact O-CB 3.44Å; K763-E766 PolarHBondContact O-N 3.45Å; K763-E767 PolarHBondContact O-N 3.43Å
764Q81.1Confident79.2Confident122 Ų12271 Ų7157%0.5735%0.354SS*.Hα-helixtrans-65.7-40177.5-75-179.67.100111.8D760 E761 L762 E766 E767 S768D760-Q764 WeakPolarHBondContact O-CB 3.31Å; D760-Q764 VanDerWaalsContact O-CG 3.31Å; D760-Q764 WeakPolarHBondContact O-CG 3.38Å; D760-Q764 PolarHBondContact O-N 3.32Å; E761-Q764 PolarHBondContact O-N 2.85Å; L762-Q764 VanDerWaalsContact C-N 3.34Å; L762-Q764 PolarHBondContact O-N 3Å; Q764-E766 VanDerWaalsContact C-N 3.33Å; Q764-E767 PolarHBondContact O-N 2.91Å; Q764-S768 WeakPolarHBondContact O-CB 3.38Å; Q764-S768 PolarHBondContact O-N 3.04Å; Q764-S768 PolarHBondContact O-OG 2.89Å
765V83.4Confident79.4Confident11 Ų1173.9 Ų73.97%0.06736%0.361CS..Hα-helixtrans-65-40.3175.6166.90000110L420 R423 Q424 L427 E761 L762 S768 L769L420-V765 HydrophobicContact CD2-CG1 4.24Å; L420-V765 HydrophobicContact CD2-CG2 4.42Å; R423-V765 HydrophobicContact CG-CG2 4.27Å; Q424-V765 HydrophobicContact CB-CG1 3.8Å; Q424-V765 HydrophobicContact CG-CG1 4.44Å; L427-V765 HydrophobicContact CD1-CB 4.36Å; L427-V765 HydrophobicContact CD1-CG2 3.77Å; E761-V765 HydrophobicContact CG-CG2 4.38Å; E761-V765 VanDerWaalsContact O-CB 3.31Å; E761-V765 WeakPolarHBondContact O-CB 3.44Å; E761-V765 WeakPolarHBondContact O-CG2 3.15Å; E761-V765 PolarHBondContact O-N 3.32Å; L762-V765 PolarHBondContact O-N 3.44Å; V765-S768 PolarHBondContact O-N 3.24Å; V765-L769 VanDerWaalsContact O-CB 3.31Å; V765-L769 WeakPolarHBondContact O-CB 3.37Å; V765-L769 PolarHBondContact O-N 3.02Å
766E82.6Confident79.6Confident81 Ų8174.8 Ų74.838%0.37937%0.365SS..Hα-helixtrans-62-43.1175.1-76.5176.6171.100112.5Q424 L762 K763 Q764 L769 R770Q424-E766 HydrophobicContact CG-CG 4.39Å; Q424-E766 PolarHBondContact NE2-OE1 3.41Å; L762-E766 WeakPolarHBondContact O-CG 3.43Å; L762-E766 PolarHBondContact O-N 3.45Å; K763-E766 WeakPolarHBondContact O-CB 3.44Å; K763-E766 PolarHBondContact O-N 3.45Å; Q764-E766 VanDerWaalsContact C-N 3.33Å; E766-L769 PolarHBondContact O-N 3.29Å; E766-R770 PolarHBondContact O-N 3.47Å
767E78.8Confident79.8Confident129 Ų12976.7 Ų76.760%0.60337%0.372SS*.Hα-helixtrans-68.5-41174.3-169.3168.5-163.900111.9K763 Q764 L769 R770 N771K763-E767 PolarHBondContact O-N 3.43Å; Q764-E767 PolarHBondContact O-N 2.91Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 2.93Å; E767-R770 WeakPolarHBondContact O-CB 3.5Å; E767-R770 PolarHBondContact O-N 3.47Å; E767-N771 PolarHBondContact O-N 2.82Å; E767-N771 PolarHBondContact O-ND2 3.41Å
768S80.1Confident79.8Confident48 Ų4880.2 Ų80.234%0.33638%0.379SS..Hα-helixtrans-64.2-33.4176.1-61.10000112Q764 V765 N771 A772Q764-S768 WeakPolarHBondContact O-CB 3.38Å; Q764-S768 PolarHBondContact O-N 3.04Å; Q764-S768 PolarHBondContact O-OG 2.89Å; V765-S768 PolarHBondContact O-N 3.24Å; S768-N771 PolarHBondContact O-N 2.99Å; S768-A772 VanDerWaalsContact O-CB 3.25Å; S768-A772 WeakPolarHBondContact O-CB 3.45Å; S768-A772 PolarHBondContact O-N 3.13Å
769L83.8Confident79.6Confident22 Ų2280 Ų8012%0.11538%0.378CS..Hα-helixtrans-64-43.6176.4-150133000110.6L420 K421 V765 E766 E767 A772 E773L420-L769 HydrophobicContact CB-CD1 4.09Å; L420-L769 HydrophobicContact CB-CG 4.5Å; K421-L769 HydrophobicContact CB-CD1 4.47Å; K421-L769 HydrophobicContact CG-CD1 3.74Å; K421-L769 HydrophobicContact CG-CD2 4.36Å; K421-L769 HydrophobicContact CG-CG 4.35Å; V765-L769 VanDerWaalsContact O-CB 3.31Å; V765-L769 WeakPolarHBondContact O-CB 3.37Å; V765-L769 PolarHBondContact O-N 3.02Å; E766-L769 PolarHBondContact O-N 3.29Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 2.93Å; L769-A772 PolarHBondContact O-N 3.11Å; L769-E773 WeakPolarHBondContact O-CG 3.49Å; L769-E773 PolarHBondContact O-N 2.66Å; L769-E773 VanDerWaalsContact O-N 3.1Å
770R78.6Confident79.5Confident189 Ų18977.9 Ų77.971%0.71338%0.375SS*.Hα-helixtrans-61.1-44171.6-86.2-177.3178.8168.91.6112E766 E767 E773 Q774E766-R770 PolarHBondContact O-N 3.47Å; E767-R770 WeakPolarHBondContact O-CB 3.5Å; E767-R770 PolarHBondContact O-N 3.47Å; R770-E773 PolarHBondContact O-N 2.96Å; R770-Q774 PolarHBondContact O-N 2.97Å
771N81.1Confident79.3Confident86 Ų8679.2 Ų79.246%0.4638%0.382SS..Hα-helixtrans-67.5-39.2179.5-68.4-24.6000112E767 S768 E773 Q774 R775E767-N771 PolarHBondContact O-N 2.82Å; E767-N771 PolarHBondContact O-ND2 3.41Å; S768-N771 PolarHBondContact O-N 2.99Å; N771-E773 VanDerWaalsContact C-N 3.34Å; N771-E773 PolarHBondContact O-N 2.65Å; N771-Q774 PolarHBondContact O-N 3.27Å; N771-R775 WeakPolarHBondContact O-CB 3.35Å; N771-R775 PolarHBondContact O-N 3.42Å
772A78.9Confident78.8Confident2 Ų280.7 Ų80.72%0.01739%0.387CS..Hα-helixtrans-65.3-36.4177.600000111.9E416 L417 L420 S768 L769 R775 L776E416-A772 HydrophobicContact CG-CB 4.47Å; L417-A772 HydrophobicContact CD1-CB 4.44Å; L420-A772 HydrophobicContact CD1-CB 3.74Å; S768-A772 VanDerWaalsContact O-CB 3.25Å; S768-A772 WeakPolarHBondContact O-CB 3.45Å; S768-A772 PolarHBondContact O-N 3.13Å; L769-A772 PolarHBondContact O-N 3.11Å; A772-R775 PolarHBondContact O-N 3Å; A772-L776 WeakPolarHBondContact O-CB 3.34Å; A772-L776 PolarHBondContact O-N 3Å
773E79.5Confident78.2Confident89 Ų8980 Ų8042%0.41638%0.384SS..Hα-helixtrans-59.6-47.8172.3-76.5177.1171.400111.5L417 L769 R770 N771 L776 T777L417-E773 HydrophobicContact CD1-CB 4.19Å; L417-E773 HydrophobicContact CD1-CG 3.27Å; L769-E773 WeakPolarHBondContact O-CG 3.49Å; L769-E773 PolarHBondContact O-N 2.66Å; L769-E773 VanDerWaalsContact O-N 3.1Å; R770-E773 PolarHBondContact O-N 2.96Å; N771-E773 VanDerWaalsContact C-N 3.34Å; N771-E773 PolarHBondContact O-N 2.65Å; E773-L776 PolarHBondContact O-N 2.7Å; E773-T777 PolarHBondContact O-N 2.9Å
774Q76.8Confident77.7Confident123 Ų12381.3 Ų81.358%0.57539%0.39SS*.Hα-helixtrans-64.6-42.9175.1-68.3-175.7-6.900111.7R770 N771 L776 T777 Q778R770-Q774 PolarHBondContact O-N 2.97Å; N771-Q774 PolarHBondContact O-N 3.27Å; Q774-L776 VanDerWaalsContact C-N 3.33Å; Q774-L776 PolarHBondContact O-N 2.68Å; Q774-T777 PolarHBondContact O-N 2.92Å; Q774-T777 PolarHBondContact O-OG1 2.83Å; Q774-Q778 PolarHBondContact O-N 3.42Å
775R76.8Confident76.9Confident118 Ų11879.7 Ų79.745%0.44539%0.385SS..Hα-helixtrans-60.2-41179.4-168.8-178.9-174.7174.36.5112.3A413 E416 N771 A772 T777 Q778 A779A413-R775 HydrophobicContact CB-CG 4.49Å; E416-R775 IonicContact OE1-NH1 3.96Å; E416-R775 PolarHBondContact OE1-NH1 3.35Å; E416-R775 IonicContact OE2-CZ 3.99Å; E416-R775 IonicContact OE2-NH1 3.48Å; E416-R775 PolarHBondContact OE2-NH1 3.46Å; N771-R775 WeakPolarHBondContact O-CB 3.35Å; N771-R775 PolarHBondContact O-N 3.42Å; A772-R775 PolarHBondContact O-N 3Å; R775-T777 VanDerWaalsContact C-N 3.31Å; R775-T777 PolarHBondContact O-N 3.35Å; R775-Q778 PolarHBondContact O-N 3.35Å; R775-A779 VanDerWaalsContact O-CB 3.28Å; R775-A779 WeakPolarHBondContact O-CB 3.42Å; R775-A779 PolarHBondContact O-N 3.34Å
776L82.2Confident76Confident39 Ų3979.8 Ų79.820%0.20439%0.387CS..Hα-helixtrans-60.4-41.7177.3-179.362.7000111.6K410 A413 Q414 A772 E773 Q774 S780K410-L776 HydrophobicContact CG-CD1 4.42Å; K410-L776 WeakPolarHBondContact O-CD1 3.26Å; A413-L776 HydrophobicContact CB-CB 4.05Å; A413-L776 HydrophobicContact CB-CD1 3.94Å; Q414-L776 HydrophobicContact CB-CD1 3.86Å; Q414-L776 HydrophobicContact CG-CD1 4.16Å; Q414-L776 HydrophobicContact CG-CD2 4.23Å; A772-L776 WeakPolarHBondContact O-CB 3.34Å; A772-L776 PolarHBondContact O-N 3Å; E773-L776 PolarHBondContact O-N 2.7Å; Q774-L776 VanDerWaalsContact C-N 3.33Å; Q774-L776 PolarHBondContact O-N 2.68Å; L776-S780 WeakPolarHBondContact O-CB 3.5Å; L776-S780 PolarHBondContact O-N 3.12Å
777T77.4Confident75.1Confident91 Ų9181.3 Ų81.356%0.55839%0.394SS*.Hα-helixtrans-63.6-45177.461.40000111.8E773 Q774 R775 S780 L781E773-T777 PolarHBondContact O-N 2.9Å; Q774-T777 PolarHBondContact O-N 2.92Å; Q774-T777 PolarHBondContact O-OG1 2.83Å; R775-T777 VanDerWaalsContact C-N 3.31Å; R775-T777 PolarHBondContact O-N 3.35Å; T777-S780 PolarHBondContact O-N 2.86Å; T777-S780 PolarHBondContact O-OG 3.33Å; T777-L781 PolarHBondContact O-N 3.05Å
778Q76.3Confident74.3Confident126 Ų12682 Ų8259%0.58940%0.397SS*.Hα-helixtrans-66.8-43.8176.9-66.9-178.5-100113.1Q774 R775 S780 L781 K782Q774-Q778 PolarHBondContact O-N 3.42Å; R775-Q778 PolarHBondContact O-N 3.35Å; Q778-S780 VanDerWaalsContact C-N 3.25Å; Q778-S780 PolarHBondContact O-N 3.46Å; Q778-L781 PolarHBondContact O-N 3.47Å; Q778-L781 VanDerWaalsContact O-N 3.14Å; Q778-K782 PolarHBondContact O-N 2.92Å
779A75.5Confident73.2Confident4 Ų484.2 Ų84.23%0.03340%0.401CS..Hα-helixtrans-61.1-36.4178.500000111.7E409 K410 R775 L781 K782 A783E409-A779 HydrophobicContact CB-CB 4.15Å; K410-A779 HydrophobicContact CB-CB 4.48Å; R775-A779 VanDerWaalsContact O-CB 3.28Å; R775-A779 WeakPolarHBondContact O-CB 3.42Å; R775-A779 PolarHBondContact O-N 3.34Å; A779-L781 VanDerWaalsContact C-N 3.3Å; A779-L781 PolarHBondContact O-N 2.85Å; A779-K782 PolarHBondContact O-N 2.9Å; A779-A783 WeakPolarHBondContact O-CB 3.39Å; A779-A783 PolarHBondContact O-N 3.03Å
780S77.1Confident72.1Confident49 Ų4984.4 Ų84.434%0.34341%0.405SS..Hα-helixtrans-64.4-32.217776.60000113.6L776 T777 Q778L776-S780 WeakPolarHBondContact O-CB 3.5Å; L776-S780 PolarHBondContact O-N 3.12Å; T777-S780 PolarHBondContact O-N 2.86Å; T777-S780 PolarHBondContact O-OG 3.33Å; Q778-S780 VanDerWaalsContact C-N 3.25Å; Q778-S780 PolarHBondContact O-N 3.46Å
781L72.2Confident71.3Confident113 Ų11380.7 Ų80.759%0.59240%0.404SS*.Hα-helixtrans-78.8-42177.9-159.8144.4000111.1T777 Q778 A779 A783 K784 L785T777-L781 PolarHBondContact O-N 3.05Å; Q778-L781 PolarHBondContact O-N 3.47Å; Q778-L781 VanDerWaalsContact O-N 3.14Å; A779-L781 VanDerWaalsContact C-N 3.3Å; A779-L781 PolarHBondContact O-N 2.85Å; L781-A783 VanDerWaalsContact C-N 3.33Å; L781-A783 PolarHBondContact O-N 3.4Å; L781-K784 PolarHBondContact O-N 2.93Å; L781-L785 HydrophobicContact CD2-CD1 4.04Å; L781-L785 PolarHBondContact O-N 2.88Å
782K69.1Low70.1Confident94 Ų9482 Ų8241%0.40941%0.41SS..Hα-helixtrans-58.9-40.1172.4-83.1-177.2172.4-179.70113.1Q778 A779 K784 L785 A786Q778-K782 PolarHBondContact O-N 2.92Å; A779-K782 PolarHBondContact O-N 2.9Å; K782-K784 VanDerWaalsContact C-N 3.28Å; K782-K784 PolarHBondContact O-N 3.31Å; K782-L785 PolarHBondContact O-N 3.41Å; K782-A786 WeakPolarHBondContact O-CB 3.42Å; K782-A786 PolarHBondContact O-N 3.42Å
783A70.8Confident69.2Low7 Ų783.1 Ų83.16%0.05842%0.42CS..Hα-helixtrans-61-35.117900000113.2A406 A779 L781 H787A406-A783 VanDerWaalsContact CB-CA 3.47Å; A406-A783 HydrophobicContact CB-CB 3.98Å; A779-A783 WeakPolarHBondContact O-CB 3.39Å; A779-A783 PolarHBondContact O-N 3.03Å; L781-A783 VanDerWaalsContact C-N 3.33Å; L781-A783 PolarHBondContact O-N 3.4Å; A783-H787 PolarHBondContact O-N 3.01Å
784K70.4Confident68.4Low164 Ų16485 Ų8571%0.71344%0.437SS*.Hα-helixtrans-66.6-49.9176.1-73.7-177.5175.6-178.30111.9L781 K782 H787L781-K784 PolarHBondContact O-N 2.93Å; K782-K784 VanDerWaalsContact C-N 3.28Å; K782-K784 PolarHBondContact O-N 3.31Å; K784-H787 WeakPolarHBondContact O-CB 3.33Å; K784-H787 PolarHBondContact O-N 3.46Å
785L63.2Low67.8Low89 Ų8982.8 Ų82.847%0.46644%0.44SS..Hα-helixtrans-65.8-38.3-178.8-69.2167.9000112.7L781 K782 H787 E788 K789L781-L785 HydrophobicContact CD2-CD1 4.04Å; L781-L785 PolarHBondContact O-N 2.88Å; K782-L785 PolarHBondContact O-N 3.41Å; L785-H787 PolarHBondContact O-N 2.57Å; L785-E788 PolarHBondContact O-N 3.42Å; L785-K789 PolarHBondContact O-N 2.99Å
786A65.2Low67.2Low12 Ų1280.8 Ų80.810%0.09944%0.436CS..Hα-helixtrans-62.5-32.617600000112.1Q402 V403 A406 K782 K789 A790Q402-A786 HydrophobicContact CB-CB 4.39Å; V403-A786 HydrophobicContact CG2-CB 4.25Å; V403-A786 WeakPolarHBondContact CG2-O 3.29Å; A406-A786 HydrophobicContact CB-CB 3.95Å; K782-A786 WeakPolarHBondContact O-CB 3.42Å; K782-A786 PolarHBondContact O-N 3.42Å; A786-K789 PolarHBondContact O-N 2.84Å; A786-A790 PolarHBondContact O-N 2.89Å
787H64.4Low66.4Low114 Ų11483.8 Ų83.853%0.52844%0.444SS..Hα-helixtrans-68.8-36.7-179.2-140.86.9000112.6A783 K784 L785A783-H787 PolarHBondContact O-N 3.01Å; K784-H787 WeakPolarHBondContact O-CB 3.33Å; K784-H787 PolarHBondContact O-N 3.46Å; L785-H787 PolarHBondContact O-N 2.57Å
788E60.9Low66Low142 Ų14287.2 Ų87.266%0.66445%0.451SS*.Hα-helixtrans-67-35.3174.9-70.7178.4167.300112.6L785 T791L785-E788 PolarHBondContact O-N 3.42Å; E788-T791 PolarHBondContact O-OG1 3.44Å
789K56.8Low65.8Low96 Ų9686.7 Ų86.742%0.41745%0.447SS..Hα-helixtrans-72.4-37.1177.8-73.1-173.9175.1-176.60112.9L399 L785 A786 T791 N792L399-K789 VanDerWaalsContact CD2-C 3.48Å; L399-K789 HydrophobicContact CD2-CB 3.86Å; L399-K789 VanDerWaalsContact CD2-O 3.24Å; L399-K789 WeakPolarHBondContact CD2-O 3.35Å; L785-K789 PolarHBondContact O-N 2.99Å; A786-K789 PolarHBondContact O-N 2.84Å; K789-T791 VanDerWaalsContact C-N 3.3Å; K789-T791 PolarHBondContact O-N 3.22Å; K789-N792 PolarHBondContact O-N 2.99Å
790A60Low65.8Low26 Ų2687.5 Ų87.522%0.21545%0.45CS..Hα-helixtrans-69.2-21.7-175.200000115V403 A786 N792 A793V403-A790 HydrophobicContact CB-CB 4.49Å; V403-A790 HydrophobicContact CG2-CB 3.33Å; A786-A790 PolarHBondContact O-N 2.89Å; A790-N792 PolarHBondContact O-N 3.38Å; A790-A793 WeakPolarHBondContact O-CB 3.42Å; A790-A793 PolarHBondContact O-N 3.02Å
791T63.8Low65.6Low110 Ų11089 Ų8968%0.67545%0.452SS*.THydrogen-bonded Turntrans-67-19.617652.80000112.7E788 K789E788-T791 PolarHBondContact O-OG1 3.44Å; K789-T791 VanDerWaalsContact C-N 3.3Å; K789-T791 PolarHBondContact O-N 3.22Å
792N55.8Low65.9Low113 Ų11389 Ų8960%0.60445%0.452SS*.THydrogen-bonded Turntrans-116.631.4178-78.9-22000113.9K789 A790 V794 E796K789-N792 PolarHBondContact O-N 2.99Å; A790-N792 PolarHBondContact O-N 3.38Å; N792-V794 PolarHBondContact O-N 3.46Å; N792-E796 PolarHBondContact O-N 3.5Å
793A59Low66.3Low27 Ų2788.9 Ų88.922%0.22345%0.453CS..Hα-helixtrans-64.2-33.4-163.500000117.9L399 A790 R797L399-A793 HydrophobicContact CB-CB 3.81Å; L399-A793 HydrophobicContact CD1-CB 4.04Å; L399-A793 HydrophobicContact CD2-CB 4.18Å; L399-A793 HydrophobicContact CG-CB 4.23Å; A790-A793 WeakPolarHBondContact O-CB 3.42Å; A790-A793 PolarHBondContact O-N 3.02Å; A793-R797 PolarHBondContact O-N 3.11Å
794V62.1Low66.8Low128 Ų12888.6 Ų88.678%0.77645%0.45SS*.Hα-helixtrans-76.5-39.5-174.8177.30000111.7N792N792-V794 PolarHBondContact O-N 3.46Å
795A64.9Low67.3Low76 Ų7684.3 Ų84.363%0.62843%0.433SS*.Hα-helixtrans-68.1-41.7177.900000111.4K799A795-K799 VanDerWaalsContact O-CB 3.32Å; A795-K799 WeakPolarHBondContact O-CB 3.49Å; A795-K799 PolarHBondContact O-N 2.9Å
796E64.9Low68.2Low77 Ų7786.1 Ų86.136%0.3644%0.437SS..Hα-helixtrans-62.6-48.1178.5-81.4-67.2152.500112.5L399 N792 K798 K799 E800L399-E796 HydrophobicContact CD1-CB 4.31Å; N792-E796 PolarHBondContact O-N 3.5Å; E796-K798 PolarHBondContact O-N 2.74Å; E796-K799 WeakPolarHBondContact O-CB 3.32Å; E796-K799 PolarHBondContact O-N 3.43Å; E796-E800 PolarHBondContact O-N 3.2Å
797R64.3Low69Low101 Ų10187.4 Ų87.438%0.38145%0.448SS..Hα-helixtrans-61.7-44.8-177.1-107.9176.6173.6171.5-4114.1G387 S398 L399 A793 K799 E800 Q801G387-R797 PolarHBondContact O-NH2 3.06Å; S398-R797 PolarHBondContact OG-NH2 3.24Å; L399-R797 HydrophobicContact CD1-CG 4.01Å; A793-R797 PolarHBondContact O-N 3.11Å; R797-K799 VanDerWaalsContact C-N 3.27Å; R797-K799 PolarHBondContact O-N 3.4Å; R797-E800 PolarHBondContact O-N 2.99Å; R797-Q801 PolarHBondContact O-N 3.43Å; R797-Q801 VanDerWaalsContact O-N 3.1Å
798K68.6Low70Confident163 Ų16383.7 Ų83.771%0.70943%0.432SS*.Hα-helixtrans-68.6-33.9-178.3-160.2176.7-176.9-178.40110.8E796 L802E796-K798 PolarHBondContact O-N 2.74Å; K798-L802 WeakPolarHBondContact O-CB 3.41Å; K798-L802 PolarHBondContact O-N 2.78Å
799K73.7Confident71.1Confident116 Ų11680 Ų8050%0.50442%0.421SS..Hα-helixtrans-67.8-50.2174.5-174.5-178172.2-1670111.5A795 E796 R797 Q801 L802 E803A795-K799 VanDerWaalsContact O-CB 3.32Å; A795-K799 WeakPolarHBondContact O-CB 3.49Å; A795-K799 PolarHBondContact O-N 2.9Å; E796-K799 WeakPolarHBondContact O-CB 3.32Å; E796-K799 PolarHBondContact O-N 3.43Å; R797-K799 VanDerWaalsContact C-N 3.27Å; R797-K799 PolarHBondContact O-N 3.4Å; K799-Q801 PolarHBondContact O-N 3.05Å; K799-L802 PolarHBondContact O-N 3.17Å; K799-E803 WeakPolarHBondContact CE-OE1 3.08Å; K799-E803 WeakPolarHBondContact CG-OE1 3.43Å; K799-E803 WeakPolarHBondContact O-CB 3.49Å; K799-E803 VanDerWaalsContact O-CG 3.28Å; K799-E803 WeakPolarHBondContact O-CG 3.28Å; K799-E803 PolarHBondContact O-N 3.36Å
800E74.2Confident72.5Confident20 Ų2080.5 Ų80.59%0.09343%0.425CS..Hα-helixtrans-60.4-41179.3-79-173.7163.200113.1V384 S389 E796 R797 A804V384-E800 HydrophobicContact CG1-CB 4.46Å; S389-E800 VanDerWaalsContact CA-OE2 3.27Å; S389-E800 WeakPolarHBondContact CA-OE2 3.42Å; S389-E800 WeakPolarHBondContact CB-OE2 3.45Å; S389-E800 PolarHBondContact OG-OE1 2.79Å; S389-E800 PolarHBondContact OG-OE2 3.22Å; E796-E800 PolarHBondContact O-N 3.2Å; R797-E800 PolarHBondContact O-N 2.99Å; E800-A804 VanDerWaalsContact O-CB 3.28Å; E800-A804 WeakPolarHBondContact O-CB 3.22Å; E800-A804 PolarHBondContact O-N 2.91Å
801Q73.9Confident73.7Confident80 Ų8079.9 Ų79.937%0.37442%0.42SS..Hα-helixtrans-66.4-45.5179.4-174179.7-8.300111.5V384 R797 K799 E803 A804 E805V384-Q801 HydrophobicContact CG1-CB 3.77Å; V384-Q801 HydrophobicContact CG1-CG 4.24Å; R797-Q801 PolarHBondContact O-N 3.43Å; R797-Q801 VanDerWaalsContact O-N 3.1Å; K799-Q801 PolarHBondContact O-N 3.05Å; Q801-E803 VanDerWaalsContact C-N 3.32Å; Q801-E803 PolarHBondContact O-N 3.05Å; Q801-A804 PolarHBondContact O-N 2.86Å; Q801-E805 HydrophobicContact CG-CG 4.47Å; Q801-E805 PolarHBondContact NE2-OE1 3.06Å; Q801-E805 VanDerWaalsContact NE2-OE1 3.14Å; Q801-E805 WeakPolarHBondContact O-CB 3.48Å; Q801-E805 WeakPolarHBondContact O-CG 3.45Å; Q801-E805 PolarHBondContact O-N 3.49Å
802L77.7Confident74.7Confident114 Ų11479.3 Ų79.360%0.59741%0.409SS*.Hα-helixtrans-67.8-36.6-178.7-152.5144.9000110.9K798 K799 K806K798-L802 WeakPolarHBondContact O-CB 3.41Å; K798-L802 PolarHBondContact O-N 2.78Å; K799-L802 PolarHBondContact O-N 3.17Å; L802-K806 WeakPolarHBondContact O-CB 3.47Å; L802-K806 PolarHBondContact O-N 3.24Å
803E78.7Confident76.2Confident91 Ų9178.3 Ų78.343%0.42540%0.403SS..Hα-helixtrans-65.1-43.1171.6-74.3175-177.500112.5K799 Q801 A807K799-E803 WeakPolarHBondContact CE-OE1 3.08Å; K799-E803 WeakPolarHBondContact CG-OE1 3.43Å; K799-E803 WeakPolarHBondContact O-CB 3.49Å; K799-E803 VanDerWaalsContact O-CG 3.28Å; K799-E803 WeakPolarHBondContact O-CG 3.28Å; K799-E803 PolarHBondContact O-N 3.36Å; Q801-E803 VanDerWaalsContact C-N 3.32Å; Q801-E803 PolarHBondContact O-N 3.05Å; E803-A807 VanDerWaalsContact O-CB 3.23Å; E803-A807 WeakPolarHBondContact O-CB 3.34Å; E803-A807 PolarHBondContact O-N 3.3Å
804A80.8Confident77.4Confident1 Ų181.6 Ų81.61%0.00841%0.414CS..Hα-helixtrans-70.2-39.2-18000000112.8R380 L381 V384 E800 Q801 L808R380-A804 HydrophobicContact CG-CB 4.47Å; L381-A804 HydrophobicContact CB-CB 4.42Å; L381-A804 HydrophobicContact CD1-CB 3.9Å; V384-A804 HydrophobicContact CB-CB 4.46Å; V384-A804 HydrophobicContact CG2-CB 4.19Å; E800-A804 VanDerWaalsContact O-CB 3.28Å; E800-A804 WeakPolarHBondContact O-CB 3.22Å; E800-A804 PolarHBondContact O-N 2.91Å; Q801-A804 PolarHBondContact O-N 2.86Å; A804-L808 WeakPolarHBondContact O-CB 3.44Å; A804-L808 PolarHBondContact O-N 3.41Å
805E80.7Confident78.5Confident74 Ų7476.5 Ų76.535%0.34638%0.383SS..Hα-helixtrans-65.5-43.4175.1-73.4-179.4172.800110.8L381 K385 Q801 L808 S809L381-E805 HydrophobicContact CD1-CB 4.35Å; L381-E805 HydrophobicContact CD1-CG 3.38Å; L381-E805 HydrophobicContact CD2-CG 4.09Å; L381-E805 HydrophobicContact CG-CG 4.39Å; K385-E805 WeakPolarHBondContact CE-OE1 3.26Å; K385-E805 IonicContact NZ-OE1 3.74Å; Q801-E805 HydrophobicContact CG-CG 4.47Å; Q801-E805 PolarHBondContact NE2-OE1 3.06Å; Q801-E805 VanDerWaalsContact NE2-OE1 3.14Å; Q801-E805 WeakPolarHBondContact O-CB 3.48Å; Q801-E805 WeakPolarHBondContact O-CG 3.45Å; Q801-E805 PolarHBondContact O-N 3.49Å; E805-L808 PolarHBondContact O-N 2.88Å; E805-S809 PolarHBondContact O-N 3.16Å
806K81Confident79.5Confident127 Ų12778.3 Ų78.355%0.55238%0.378SS*.Hα-helixtrans-62.7-47.9175.8-169.6178.8-179.1-167.80111.6L802 L808 S809 E810L802-K806 WeakPolarHBondContact O-CB 3.47Å; L802-K806 PolarHBondContact O-N 3.24Å; K806-L808 VanDerWaalsContact C-N 3.32Å; K806-L808 PolarHBondContact O-N 2.76Å; K806-S809 PolarHBondContact O-N 3.02Å; K806-E810 WeakPolarHBondContact CE-OE1 3.33Å; K806-E810 IonicContact NZ-OE1 3.68Å; K806-E810 WeakPolarHBondContact O-CB 3.36Å; K806-E810 WeakPolarHBondContact O-CG 3.48Å; K806-E810 PolarHBondContact O-N 3.49Å
807A82.9Confident80.5Confident40 Ų4077.5 Ų77.533%0.33138%0.381SS..Hα-helixtrans-62.2-36.8178.200000112.8E803 A811E803-A807 VanDerWaalsContact O-CB 3.23Å; E803-A807 WeakPolarHBondContact O-CB 3.34Å; E803-A807 PolarHBondContact O-N 3.3Å; A807-A811 VanDerWaalsContact O-CB 3.22Å; A807-A811 WeakPolarHBondContact O-CB 3.47Å; A807-A811 PolarHBondContact O-N 3Å
808L86.1Confident81.7Confident35 Ų3573 Ų7318%0.18337%0.365CS..Hα-helixtrans-67.5-44.1175.4-17765.5000111.7F374 A377 Q378 L381 A804 E805 K806 A811 K812F374-L808 HydrophobicContact CD2-CD1 3.85Å; F374-L808 HydrophobicContact CE2-CD1 3.53Å; F374-L808 HydrophobicContact CE2-CG 4.37Å; F374-L808 HydrophobicContact CZ-CD1 4.3Å; A377-L808 HydrophobicContact CB-CB 4.37Å; A377-L808 HydrophobicContact CB-CD1 4.04Å; Q378-L808 HydrophobicContact CB-CD1 3.82Å; Q378-L808 HydrophobicContact CG-CD1 4.36Å; L381-L808 HydrophobicContact CB-CD2 4.27Å; L381-L808 HydrophobicContact CD2-CB 4.28Å; L381-L808 HydrophobicContact CD2-CD2 3.34Å; L381-L808 HydrophobicContact CD2-CG 4.43Å; L381-L808 HydrophobicContact CG-CD2 4.41Å; A804-L808 WeakPolarHBondContact O-CB 3.44Å; A804-L808 PolarHBondContact O-N 3.41Å; E805-L808 PolarHBondContact O-N 2.88Å; K806-L808 VanDerWaalsContact C-N 3.32Å; K806-L808 PolarHBondContact O-N 2.76Å; L808-A811 PolarHBondContact O-N 2.84Å; L808-K812 WeakPolarHBondContact O-CB 3.41Å; L808-K812 PolarHBondContact O-N 3.46Å
809S84.2Confident82.4Confident64 Ų6467.8 Ų67.845%0.44834%0.344SS..Hα-helixtrans-60-50.9176.7-165.60000110.6E805 K806 A811 K812 D813E805-S809 PolarHBondContact O-N 3.16Å; K806-S809 PolarHBondContact O-N 3.02Å; S809-A811 VanDerWaalsContact C-N 3.35Å; S809-A811 PolarHBondContact O-N 3.49Å; S809-K812 WeakPolarHBondContact O-CB 3.49Å; S809-K812 PolarHBondContact O-N 3.11Å; S809-K812 VanDerWaalsContact O-N 3.13Å; S809-D813 PolarHBondContact O-N 3.37Å
810E84.6Confident82.9Confident107 Ų10765.2 Ų65.250%0.534%0.341SS..Hα-helixtrans-59.2-44.1178.7-72.3173.6176.700111.9K806 K812 D813 Q814K806-E810 WeakPolarHBondContact CE-OE1 3.33Å; K806-E810 IonicContact NZ-OE1 3.68Å; K806-E810 WeakPolarHBondContact O-CB 3.36Å; K806-E810 WeakPolarHBondContact O-CG 3.48Å; K806-E810 PolarHBondContact O-N 3.49Å; E810-K812 VanDerWaalsContact C-N 3.34Å; E810-K812 PolarHBondContact O-N 2.91Å; E810-D813 PolarHBondContact O-N 3.33Å; E810-Q814 WeakPolarHBondContact O-CB 3.46Å; E810-Q814 PolarHBondContact O-N 3.13Å
811A86.6Confident83.5Confident13 Ų1365.9 Ų65.911%0.10735%0.35CS..Hα-helixtrans-66.6-36177.500000112.3F374 A377 A807 L808 S809 Q814 V815F374-A811 HydrophobicContact CB-CB 4.06Å; F374-A811 HydrophobicContact CD2-CB 4.19Å; A377-A811 HydrophobicContact CB-CB 4.26Å; A807-A811 VanDerWaalsContact O-CB 3.22Å; A807-A811 WeakPolarHBondContact O-CB 3.47Å; A807-A811 PolarHBondContact O-N 3Å; L808-A811 PolarHBondContact O-N 2.84Å; S809-A811 VanDerWaalsContact C-N 3.35Å; S809-A811 PolarHBondContact O-N 3.49Å; A811-Q814 PolarHBondContact O-N 2.85Å; A811-V815 WeakPolarHBondContact O-CG2 3.43Å; A811-V815 PolarHBondContact O-N 3.25Å
812K84.8Confident84.2Confident99 Ų9963.5 Ų63.543%0.4334%0.34SS..Hα-helixtrans-66.1-47.5176.7-165.9-172.8172.4-156.20111.1F374 L808 S809 E810 Q814 V815 E816F374-K812 HydrophobicContact CD2-CB 3.93Å; F374-K812 HydrophobicContact CD2-CG 4.41Å; F374-K812 HydrophobicContact CE2-CB 3.63Å; F374-K812 HydrophobicContact CE2-CD 4.49Å; F374-K812 HydrophobicContact CE2-CG 3.8Å; F374-K812 HydrophobicContact CZ-CG 4.41Å; L808-K812 WeakPolarHBondContact O-CB 3.41Å; L808-K812 PolarHBondContact O-N 3.46Å; S809-K812 WeakPolarHBondContact O-CB 3.49Å; S809-K812 PolarHBondContact O-N 3.11Å; S809-K812 VanDerWaalsContact O-N 3.13Å; E810-K812 VanDerWaalsContact C-N 3.34Å; E810-K812 PolarHBondContact O-N 2.91Å; K812-Q814 VanDerWaalsContact C-N 3.26Å; K812-Q814 PolarHBondContact O-N 2.85Å; K812-V815 PolarHBondContact O-N 3.47Å; K812-V815 VanDerWaalsContact O-N 3.13Å; K812-E816 VanDerWaalsContact CE-OE1 3.24Å; K812-E816 WeakPolarHBondContact CE-OE1 3.49Å; K812-E816 IonicContact NZ-OE1 2.64Å; K812-E816 PolarHBondContact O-N 3.28Å
813D85.7Confident84.5Confident92 Ų9267 Ų6749%0.49235%0.345SS..Hα-helixtrans-62.8-36.8178.6-62.6-23.3000110.6S809 E810 S817S809-D813 PolarHBondContact O-N 3.37Å; E810-D813 PolarHBondContact O-N 3.33Å; D813-S817 WeakPolarHBondContact O-CB 3.37Å; D813-S817 PolarHBondContact O-N 3.33Å; D813-S817 PolarHBondContact O-OG 3.07Å
814Q85.4Confident84.7Confident96 Ų9669.1 Ų69.145%0.44936%0.355SS..Hα-helixtrans-66.2-40173.6-162.567.925.200112.4A370 E810 A811 K812 S817 T818A370-Q814 HydrophobicContact CB-CB 4.39Å; A370-Q814 HydrophobicContact CB-CG 3.95Å; E810-Q814 WeakPolarHBondContact O-CB 3.46Å; E810-Q814 PolarHBondContact O-N 3.13Å; A811-Q814 PolarHBondContact O-N 2.85Å; K812-Q814 VanDerWaalsContact C-N 3.26Å; K812-Q814 PolarHBondContact O-N 2.85Å; Q814-S817 WeakPolarHBondContact CA-OG 3.46Å; Q814-S817 PolarHBondContact O-OG 3.37Å; Q814-T818 HydrophobicContact CG-CG2 4.43Å; Q814-T818 WeakPolarHBondContact O-CB 3.29Å; Q814-T818 VanDerWaalsContact O-CG2 3.24Å; Q814-T818 WeakPolarHBondContact O-CG2 3.41Å; Q814-T818 PolarHBondContact O-N 2.91Å; Q814-T818 PolarHBondContact O-OG1 2.65Å
815V85.1Confident85.1Confident20 Ų2072.2 Ų72.212%0.12137%0.368CS..Hα-helixtrans-66.9-46.1176168.90000111.3A370 F374 A811 K812 S817 T818 I819A370-V815 VanDerWaalsContact C-CG2 3.44Å; A370-V815 HydrophobicContact CB-CG2 3.83Å; A370-V815 WeakPolarHBondContact O-CG2 3.34Å; F374-V815 HydrophobicContact CB-CG2 3.7Å; F374-V815 HydrophobicContact CG-CG2 4.26Å; A811-V815 WeakPolarHBondContact O-CG2 3.43Å; A811-V815 PolarHBondContact O-N 3.25Å; K812-V815 PolarHBondContact O-N 3.47Å; K812-V815 VanDerWaalsContact O-N 3.13Å; V815-S817 PolarHBondContact O-N 3.22Å; V815-T818 PolarHBondContact O-N 3.37Å; V815-T818 PolarHBondContact O-OG1 3.3Å; V815-I819 HydrophobicContact CG1-CD1 3.55Å; V815-I819 HydrophobicContact CG1-CG1 4.25Å; V815-I819 WeakPolarHBondContact O-CB 3.23Å; V815-I819 VanDerWaalsContact O-CG1 3.27Å; V815-I819 WeakPolarHBondContact O-CG1 3.4Å; V815-I819 PolarHBondContact O-N 3.36Å
816E85.5Confident85.3Confident114 Ų11471.5 Ų71.553%0.53337%0.366SS..Hα-helixtrans-62.6-43.7179.4-76.9-177.5-171.900111.4K812 S820K812-E816 VanDerWaalsContact CE-OE1 3.24Å; K812-E816 WeakPolarHBondContact CE-OE1 3.49Å; K812-E816 IonicContact NZ-OE1 2.64Å; K812-E816 PolarHBondContact O-N 3.28Å; E816-S820 WeakPolarHBondContact O-CB 3.47Å; E816-S820 PolarHBondContact O-N 3.2Å; E816-S820 VanDerWaalsContact O-N 3.09Å
817S86.8Confident85.4Confident60 Ų6068.9 Ų68.942%0.4236%0.364SS..Hα-helixtrans-66.5-44.5177.557.90000113.1D813 Q814 V815 S820 A821D813-S817 WeakPolarHBondContact O-CB 3.37Å; D813-S817 PolarHBondContact O-N 3.33Å; D813-S817 PolarHBondContact O-OG 3.07Å; Q814-S817 WeakPolarHBondContact CA-OG 3.46Å; Q814-S817 PolarHBondContact O-OG 3.37Å; V815-S817 PolarHBondContact O-N 3.22Å; S817-S820 PolarHBondContact O-N 2.96Å; S817-A821 WeakPolarHBondContact O-CB 3.47Å; S817-A821 PolarHBondContact O-N 3.49Å
818T87.7Confident85.6Confident6 Ų671.2 Ų71.24%0.03737%0.371CS..Hα-helixtrans-69.7-37.1179.252.80000112.8Q366 Q814 V815 A821 L822Q366-T818 HydrophobicContact CB-CG2 4.26Å; Q814-T818 HydrophobicContact CG-CG2 4.43Å; Q814-T818 WeakPolarHBondContact O-CB 3.29Å; Q814-T818 VanDerWaalsContact O-CG2 3.24Å; Q814-T818 WeakPolarHBondContact O-CG2 3.41Å; Q814-T818 PolarHBondContact O-N 2.91Å; Q814-T818 PolarHBondContact O-OG1 2.65Å; V815-T818 PolarHBondContact O-N 3.37Å; V815-T818 PolarHBondContact O-OG1 3.3Å; T818-A821 PolarHBondContact O-N 3.46Å; T818-L822 VanDerWaalsContact O-CB 3.23Å; T818-L822 WeakPolarHBondContact O-CB 3.36Å; T818-L822 PolarHBondContact O-N 2.7Å
819I85.2Confident85.7Confident54 Ų5472 Ų7228%0.27737%0.373SS..Hα-helixtrans-64.4-42173.8-72.6175000110.8V815 L822 R823V815-I819 HydrophobicContact CG1-CD1 3.55Å; V815-I819 HydrophobicContact CG1-CG1 4.25Å; V815-I819 WeakPolarHBondContact O-CB 3.23Å; V815-I819 VanDerWaalsContact O-CG1 3.27Å; V815-I819 WeakPolarHBondContact O-CG1 3.4Å; V815-I819 PolarHBondContact O-N 3.36Å; I819-L822 PolarHBondContact O-N 3.12Å; I819-R823 WeakPolarHBondContact O-CB 2.99Å; I819-R823 WeakPolarHBondContact O-CG 3.27Å; I819-R823 PolarHBondContact O-N 3.06Å
820S83.4Confident85.7Confident62 Ų6272 Ų7243%0.43437%0.365SS..Hα-helixtrans-62.5-49.9176.3-166.50000111.1E816 S817 L822 R823 E824E816-S820 WeakPolarHBondContact O-CB 3.47Å; E816-S820 PolarHBondContact O-N 3.2Å; E816-S820 VanDerWaalsContact O-N 3.09Å; S817-S820 PolarHBondContact O-N 2.96Å; S820-L822 VanDerWaalsContact C-N 3.32Å; S820-L822 PolarHBondContact O-N 2.83Å; S820-R823 PolarHBondContact O-N 2.94Å; S820-E824 PolarHBondContact O-N 2.98Å
821A86.8Confident85.7Confident34 Ų3470 Ų7028%0.28136%0.36SS..Hα-helixtrans-60.7-40.317800000112.3V363 S817 T818 E824 K825V363-A821 HydrophobicContact CG1-CB 4.07Å; S817-A821 WeakPolarHBondContact O-CB 3.47Å; S817-A821 PolarHBondContact O-N 3.49Å; T818-A821 PolarHBondContact O-N 3.46Å; A821-E824 PolarHBondContact O-N 3.44Å; A821-K825 WeakPolarHBondContact O-CB 3.49Å; A821-K825 WeakPolarHBondContact O-CG 3.25Å; A821-K825 PolarHBondContact O-N 3.04Å
822L88.5Confident85.9Confident31 Ų3170.4 Ų70.416%0.16236%0.361CS..Hα-helixtrans-65.2-43.1176.5-175.164.8000111.1Y360 V363 L364 T818 I819 S820 K825 N826Y360-L822 HydrophobicContact CD2-CD1 4.33Å; Y360-L822 HydrophobicContact CE2-CD1 3.71Å; V363-L822 HydrophobicContact CG1-CB 4.09Å; V363-L822 HydrophobicContact CG1-CD1 4.34Å; L364-L822 HydrophobicContact CB-CD1 4.11Å; L364-L822 HydrophobicContact CD1-CD1 4.15Å; T818-L822 VanDerWaalsContact O-CB 3.23Å; T818-L822 WeakPolarHBondContact O-CB 3.36Å; T818-L822 PolarHBondContact O-N 2.7Å; I819-L822 PolarHBondContact O-N 3.12Å; S820-L822 VanDerWaalsContact C-N 3.32Å; S820-L822 PolarHBondContact O-N 2.83Å; L822-K825 PolarHBondContact O-N 3.38Å; L822-N826 WeakPolarHBondContact O-CB 3.4Å; L822-N826 PolarHBondContact O-N 3.01Å
823R83Confident86Confident188 Ų18871 Ų7171%0.70936%0.36SS*.Hα-helixtrans-61.2-44.5176.5-78.2177.3-179.8174.21.9111.9I819 S820 S827I819-R823 WeakPolarHBondContact O-CB 2.99Å; I819-R823 WeakPolarHBondContact O-CG 3.27Å; I819-R823 PolarHBondContact O-N 3.06Å; S820-R823 PolarHBondContact O-N 2.94Å; R823-S827 VanDerWaalsContact O-CB 3.28Å; R823-S827 WeakPolarHBondContact O-CB 3.42Å; R823-S827 PolarHBondContact O-N 2.99Å
824E84.5Confident85.9Confident135 Ų13571.3 Ų71.363%0.63136%0.362SS*.Hα-helixtrans-62.5-49.5177-74.5179.7179.600111.9S820 A821 N826 S827 L828S820-E824 PolarHBondContact O-N 2.98Å; A821-E824 PolarHBondContact O-N 3.44Å; E824-N826 PolarHBondContact O-N 3.31Å; E824-S827 PolarHBondContact O-N 3.01Å; E824-L828 WeakPolarHBondContact O-CB 3.17Å; E824-L828 PolarHBondContact O-N 3.43Å
825K87.6Confident85.9Confident66 Ų6670 Ų7029%0.28736%0.356SS..Hα-helixtrans-65.5-37.9179.1-70.8-79.4-177.4168.80112.1E359 Y360 A821 L822 L828 K829E359-K825 IonicContact OE2-NZ 3.42Å; E359-K825 PolarHBondContact OE2-NZ 3.35Å; Y360-K825 HydrophobicContact CD2-CB 4.03Å; A821-K825 WeakPolarHBondContact O-CB 3.49Å; A821-K825 WeakPolarHBondContact O-CG 3.25Å; A821-K825 PolarHBondContact O-N 3.04Å; L822-K825 PolarHBondContact O-N 3.38Å; K825-L828 PolarHBondContact O-N 3.32Å; K825-K829 WeakPolarHBondContact O-CB 3.13Å; K825-K829 PolarHBondContact O-N 2.88Å
826N85.7Confident86.1Confident58 Ų5869.7 Ų69.731%0.3136%0.355SS..Hα-helixtrans-71-39178.5-150.316.9000111.4Y360 L822 E824 K829 E830Y360-N826 HydrophobicContact CE2-CB 4Å; Y360-N826 PolarHBondContact OH-OD1 3.07Å; L822-N826 WeakPolarHBondContact O-CB 3.4Å; L822-N826 PolarHBondContact O-N 3.01Å; E824-N826 PolarHBondContact O-N 3.31Å; N826-K829 PolarHBondContact O-N 3.2Å; N826-E830 WeakPolarHBondContact O-CG 3.22Å; N826-E830 PolarHBondContact O-N 2.83Å
827S83.1Confident86.1Confident73 Ų7367.8 Ų67.851%0.5135%0.346SS..Hα-helixtrans-58.3-50.7170.2-178.20000110.7R823 E824 K829 E830 T831R823-S827 VanDerWaalsContact O-CB 3.28Å; R823-S827 WeakPolarHBondContact O-CB 3.42Å; R823-S827 PolarHBondContact O-N 2.99Å; E824-S827 PolarHBondContact O-N 3.01Å; S827-K829 VanDerWaalsContact C-N 3.34Å; S827-K829 PolarHBondContact O-N 2.93Å; S827-E830 PolarHBondContact O-N 3.28Å; S827-T831 WeakPolarHBondContact O-CB 3.24Å; S827-T831 PolarHBondContact O-N 3.1Å; S827-T831 PolarHBondContact O-OG1 3.41Å
828L87.7Confident86Confident88 Ų8870.7 Ų70.746%0.46135%0.353SS..Hα-helixtrans-59.8-44.1-179.9-178.165.1000111.9E824 K825 T831 L832E824-L828 WeakPolarHBondContact O-CB 3.17Å; E824-L828 PolarHBondContact O-N 3.43Å; K825-L828 PolarHBondContact O-N 3.32Å; L828-T831 PolarHBondContact O-N 2.76Å; L828-L832 HydrophobicContact CD1-CD1 4.05Å; L828-L832 HydrophobicContact CD1-CG 4.26Å; L828-L832 HydrophobicContact CG-CD1 3.99Å; L828-L832 WeakPolarHBondContact O-CB 3.18Å; L828-L832 VanDerWaalsContact O-CG 3.32Å; L828-L832 WeakPolarHBondContact O-CG 3.29Å; L828-L832 PolarHBondContact O-N 3.19Å
829K86.6Confident86.1Confident52 Ų5271.5 Ų71.523%0.22636%0.357CS..Hα-helixtrans-58.6-51.7176.1177.8-160.7160.8-138.80111.5A355 A356 K825 N826 S827 L832 R833A355-K829 HydrophobicContact CB-CB 4.41Å; A356-K829 HydrophobicContact CB-CD 4.29Å; A356-K829 HydrophobicContact CB-CG 4.27Å; K825-K829 WeakPolarHBondContact O-CB 3.13Å; K825-K829 PolarHBondContact O-N 2.88Å; N826-K829 PolarHBondContact O-N 3.2Å; S827-K829 VanDerWaalsContact C-N 3.34Å; S827-K829 PolarHBondContact O-N 2.93Å; K829-L832 PolarHBondContact O-N 3.12Å; K829-R833 WeakPolarHBondContact O-CB 3.36Å; K829-R833 PolarHBondContact O-N 3.16Å
830E84.2Confident86.3Confident63 Ų6370.9 Ų70.929%0.29436%0.36SS..Hα-helixtrans-68-36.4-178.2-66.4-57136.800111.8N826 S827 R833 L834N826-E830 WeakPolarHBondContact O-CG 3.22Å; N826-E830 PolarHBondContact O-N 2.83Å; S827-E830 PolarHBondContact O-N 3.28Å; E830-R833 PolarHBondContact O-N 2.65Å; E830-R833 IonicContact OE1-NH1 3.32Å; E830-R833 IonicContact OE2-CZ 2.9Å; E830-R833 IonicContact OE2-NH1 2.88Å; E830-R833 PolarHBondContact OE2-NH1 3.42Å; E830-L834 WeakPolarHBondContact O-CB 3Å; E830-L834 WeakPolarHBondContact O-CG 3.2Å; E830-L834 PolarHBondContact O-N 3.11Å
831T86.6Confident86.4Confident65 Ų6574.7 Ų74.740%0.39937%0.369SS..Hα-helixtrans-61.8-50.7173.9-55.70000111.5S827 L828 R833 L834 E835S827-T831 WeakPolarHBondContact O-CB 3.24Å; S827-T831 PolarHBondContact O-N 3.1Å; S827-T831 PolarHBondContact O-OG1 3.41Å; L828-T831 PolarHBondContact O-N 2.76Å; T831-R833 VanDerWaalsContact C-N 3.28Å; T831-R833 PolarHBondContact O-N 2.95Å; T831-L834 PolarHBondContact O-N 2.87Å; T831-E835 WeakPolarHBondContact O-CG 3.34Å; T831-E835 PolarHBondContact O-N 2.86Å
832L89.1Confident86.5Confident22 Ų2277.4 Ų77.412%0.11538%0.376CS..Hα-helixtrans-63.8-34.5179-71.2172.3000112.4K348 A351 A352 A355 L828 K829 A836K348-L832 HydrophobicContact CD-CD2 4.13Å; A351-L832 HydrophobicContact CB-CD1 4.18Å; A351-L832 HydrophobicContact CB-CD2 4.44Å; A352-L832 HydrophobicContact CB-CB 4Å; A355-L832 HydrophobicContact CB-CD1 3.97Å; L828-L832 HydrophobicContact CD1-CD1 4.05Å; L828-L832 HydrophobicContact CD1-CG 4.26Å; L828-L832 HydrophobicContact CG-CD1 3.99Å; L828-L832 WeakPolarHBondContact O-CB 3.18Å; L828-L832 VanDerWaalsContact O-CG 3.32Å; L828-L832 WeakPolarHBondContact O-CG 3.29Å; L828-L832 PolarHBondContact O-N 3.19Å; K829-L832 PolarHBondContact O-N 3.12Å; L832-A836 WeakPolarHBondContact O-CB 3.47Å; L832-A836 PolarHBondContact O-N 3.29Å
833R87Confident86.6Confident112 Ų11276.5 Ų76.542%0.42337%0.371SS..Hα-helixtrans-65.7-47.4176-165.4-168.5114-165.37.5111.6K829 E830 T831 A836 E837K829-R833 WeakPolarHBondContact O-CB 3.36Å; K829-R833 PolarHBondContact O-N 3.16Å; E830-R833 PolarHBondContact O-N 2.65Å; E830-R833 IonicContact OE1-NH1 3.32Å; E830-R833 IonicContact OE2-CZ 2.9Å; E830-R833 IonicContact OE2-NH1 2.88Å; E830-R833 PolarHBondContact OE2-NH1 3.42Å; T831-R833 VanDerWaalsContact C-N 3.28Å; T831-R833 PolarHBondContact O-N 2.95Å; R833-A836 PolarHBondContact O-N 3.29Å; R833-E837 IonicContact CZ-OE1 2.76Å; R833-E837 IonicContact NE-OE1 2.87Å; R833-E837 PolarHBondContact NE-OE1 2.87Å; R833-E837 IonicContact NH2-OE1 3.88Å; R833-E837 PolarHBondContact NH2-OE1 2.58Å; R833-E837 VanDerWaalsContact NH2-OE1 3.15Å; R833-E837 WeakPolarHBondContact O-CG 3.4Å; R833-E837 PolarHBondContact O-N 3.1Å
834L83.4Confident86.9Confident99 Ų9972.3 Ų72.352%0.51836%0.362SS..Hα-helixtrans-64.3-42.5178.2-71.7170.8000111.7E830 T831 A836 E837 E838E830-L834 WeakPolarHBondContact O-CB 3Å; E830-L834 WeakPolarHBondContact O-CG 3.2Å; E830-L834 PolarHBondContact O-N 3.11Å; T831-L834 PolarHBondContact O-N 2.87Å; L834-A836 VanDerWaalsContact C-N 3.34Å; L834-A836 PolarHBondContact O-N 2.89Å; L834-E837 PolarHBondContact O-N 3.15Å; L834-E838 WeakPolarHBondContact O-CB 3.4Å; L834-E838 PolarHBondContact O-N 3.49Å
835E87.1Confident87.1Confident69 Ų6970.3 Ų70.332%0.32236%0.36SS..Hα-helixtrans-60.3-42.4174.8-73.7177.8-176.500111.9K348 T831 E838 L839K348-E835 WeakPolarHBondContact CE-OE2 3.42Å; K348-E835 IonicContact NZ-OE2 2.57Å; K348-E835 PolarHBondContact NZ-OE2 3.39Å; T831-E835 WeakPolarHBondContact O-CG 3.34Å; T831-E835 PolarHBondContact O-N 2.86Å; E835-E838 PolarHBondContact O-N 2.82Å; E835-L839 WeakPolarHBondContact O-CB 3.33Å; E835-L839 VanDerWaalsContact O-CG 3.32Å; E835-L839 WeakPolarHBondContact O-CG 3.41Å; E835-L839 PolarHBondContact O-N 3.04Å
836A88.4Confident87.3Confident13 Ų1368.3 Ų68.311%0.10735%0.352CS..Hα-helixtrans-67-39.9176.700000112.4K348 L832 R833 L834 E838 A840K348-A836 HydrophobicContact CB-CB 4.47Å; L832-A836 WeakPolarHBondContact O-CB 3.47Å; L832-A836 PolarHBondContact O-N 3.29Å; R833-A836 PolarHBondContact O-N 3.29Å; L834-A836 VanDerWaalsContact C-N 3.34Å; L834-A836 PolarHBondContact O-N 2.89Å; A836-E838 VanDerWaalsContact C-N 3.34Å; A836-A840 VanDerWaalsContact O-CB 3.29Å; A836-A840 WeakPolarHBondContact O-CB 3.48Å; A836-A840 PolarHBondContact O-N 3.37Å
837E85.3Confident87.5Confident73 Ų7369.9 Ų69.934%0.34136%0.356SS..Hα-helixtrans-65-36.6174.8-75.3177.7-158.500112.2R833 L834 K841R833-E837 IonicContact CZ-OE1 2.76Å; R833-E837 IonicContact NE-OE1 2.87Å; R833-E837 PolarHBondContact NE-OE1 2.87Å; R833-E837 IonicContact NH2-OE1 3.88Å; R833-E837 PolarHBondContact NH2-OE1 2.58Å; R833-E837 VanDerWaalsContact NH2-OE1 3.15Å; R833-E837 WeakPolarHBondContact O-CG 3.4Å; R833-E837 PolarHBondContact O-N 3.1Å; L834-E837 PolarHBondContact O-N 3.15Å; E837-K841 WeakPolarHBondContact O-CG 3.48Å; E837-K841 PolarHBondContact O-N 3.15Å
838E85.3Confident87.9Confident121 Ų12171 Ų7157%0.56536%0.356SS*.Hα-helixtrans-70.1-49.3177.1-167.6164.1-156.600111.3L834 E835 A836 A840 K841 E842L834-E838 WeakPolarHBondContact O-CB 3.4Å; L834-E838 PolarHBondContact O-N 3.49Å; E835-E838 PolarHBondContact O-N 2.82Å; A836-E838 VanDerWaalsContact C-N 3.34Å; E838-A840 VanDerWaalsContact C-N 3.25Å; E838-A840 PolarHBondContact O-N 2.75Å; E838-K841 WeakPolarHBondContact O-CB 3.43Å; E838-K841 PolarHBondContact O-N 3.3Å; E838-E842 PolarHBondContact O-N 2.97Å
839L89.7Confident87.9Confident24 Ų2468.5 Ų68.513%0.12635%0.345CS..Hα-helixtrans-57.5-37.7173.4-72.7167.4000112.1L341 L345 K348 E835 E842 L843L341-L839 HydrophobicContact CD2-CD2 3.64Å; L345-L839 HydrophobicContact CB-CB 4.38Å; K348-L839 HydrophobicContact CB-CD1 4.3Å; K348-L839 HydrophobicContact CG-CD1 3.92Å; E835-L839 WeakPolarHBondContact O-CB 3.33Å; E835-L839 VanDerWaalsContact O-CG 3.32Å; E835-L839 WeakPolarHBondContact O-CG 3.41Å; E835-L839 PolarHBondContact O-N 3.04Å; L839-E842 PolarHBondContact O-N 2.91Å; L839-L843 VanDerWaalsContact O-CB 3.23Å; L839-L843 WeakPolarHBondContact O-CB 3.36Å; L839-L843 PolarHBondContact O-N 3.07Å
840A88.3Confident88.2Confident41 Ų4167 Ų6734%0.33934%0.34SS..Hα-helixtrans-64.3-40.1176.100000112.6L345 A836 E838 N844L345-A840 VanDerWaalsContact CD1-CA 3.42Å; L345-A840 HydrophobicContact CD1-CB 3.74Å; A836-A840 VanDerWaalsContact O-CB 3.29Å; A836-A840 WeakPolarHBondContact O-CB 3.48Å; A836-A840 PolarHBondContact O-N 3.37Å; E838-A840 VanDerWaalsContact C-N 3.25Å; E838-A840 PolarHBondContact O-N 2.75Å; A840-N844 WeakPolarHBondContact O-CB 3.39Å; A840-N844 PolarHBondContact O-N 3.1Å
841K87Confident88.4Confident141 Ų14170.1 Ų70.161%0.61336%0.355SS*.Hα-helixtrans-66.9-46.7175.3-72.1168.5-173.9166.60110.9E837 E838 N844 T845E837-K841 WeakPolarHBondContact O-CG 3.48Å; E837-K841 PolarHBondContact O-N 3.15Å; E838-K841 WeakPolarHBondContact O-CB 3.43Å; E838-K841 PolarHBondContact O-N 3.3Å; K841-N844 PolarHBondContact O-N 2.73Å; K841-T845 WeakPolarHBondContact O-CG2 3.39Å; K841-T845 PolarHBondContact O-N 2.85Å; K841-T845 PolarHBondContact O-OG1 3.31Å
842E87.5Confident88.5Confident92 Ų9274 Ų7443%0.4337%0.368SS..Hα-helixtrans-58.6-49177.8-71.4-176172.600111.5L341 E838 L839 N844 T845 L846L341-E842 HydrophobicContact CD2-CB 4.44Å; E838-E842 PolarHBondContact O-N 2.97Å; L839-E842 PolarHBondContact O-N 2.91Å; E842-N844 VanDerWaalsContact C-N 3.31Å; E842-N844 PolarHBondContact O-N 3.09Å; E842-T845 WeakPolarHBondContact CA-OG1 3.33Å; E842-T845 PolarHBondContact O-N 3.11Å; E842-T845 PolarHBondContact O-OG1 3.38Å; E842-L846 WeakPolarHBondContact O-CB 3.44Å; E842-L846 PolarHBondContact O-N 3.39Å
843L91.9Very high88.6Confident12 Ų1273.7 Ų73.76%0.06337%0.368CS..Hα-helixtrans-60.8-38.6177.3-180135.8000112.4L341 D342 L839 L846 K847L341-L843 HydrophobicContact CB-CB 4.48Å; L341-L843 HydrophobicContact CB-CD1 3.92Å; D342-L843 VanDerWaalsContact CA-CD1 3.43Å; D342-L843 HydrophobicContact CB-CD1 3.65Å; D342-L843 VanDerWaalsContact N-CD1 3.32Å; L839-L843 VanDerWaalsContact O-CB 3.23Å; L839-L843 WeakPolarHBondContact O-CB 3.36Å; L839-L843 PolarHBondContact O-N 3.07Å; L843-L846 PolarHBondContact O-N 2.69Å; L843-K847 HydrophobicContact CD2-CD 3.87Å; L843-K847 VanDerWaalsContact CD2-CE 3.47Å; L843-K847 WeakPolarHBondContact O-CB 3.23Å; L843-K847 WeakPolarHBondContact O-CG 3.34Å; L843-K847 PolarHBondContact O-N 2.84Å
844N88.7Confident88.8Confident99 Ų9971.6 Ų71.653%0.52937%0.365SS..Hα-helixtrans-68.5-40.2177.4-154.918.1000111.9A840 K841 E842 L846 K847 L848A840-N844 WeakPolarHBondContact O-CB 3.39Å; A840-N844 PolarHBondContact O-N 3.1Å; K841-N844 PolarHBondContact O-N 2.73Å; E842-N844 VanDerWaalsContact C-N 3.31Å; E842-N844 PolarHBondContact O-N 3.09Å; N844-L846 VanDerWaalsContact C-N 3.33Å; N844-L846 PolarHBondContact O-N 3.39Å; N844-K847 PolarHBondContact O-N 3.41Å; N844-L848 PolarHBondContact O-N 3.48Å; N844-L848 VanDerWaalsContact O-N 3.1Å
845T89.4Confident89.1Confident93 Ų9371.4 Ų71.457%0.57136%0.362SS*.Hα-helixtrans-63.9-39.1173.357.70000112.2K841 E842 S849K841-T845 WeakPolarHBondContact O-CG2 3.39Å; K841-T845 PolarHBondContact O-N 2.85Å; K841-T845 PolarHBondContact O-OG1 3.31Å; E842-T845 WeakPolarHBondContact CA-OG1 3.33Å; E842-T845 PolarHBondContact O-N 3.11Å; E842-T845 PolarHBondContact O-OG1 3.38Å; T845-S849 PolarHBondContact O-N 3.34Å; T845-S849 PolarHBondContact O-OG 3.39Å
846L90.7Very high89.2Confident24 Ų2469.7 Ų69.713%0.12636%0.362CS..Hα-helixtrans-67.7-41177.7-167.168.9000111.3M334 Q337 C338 L341 E842 L843 N844 S849 L850M334-L846 HydrophobicContact CE-CD1 4.05Å; Q337-L846 HydrophobicContact CB-CD2 3.66Å; C338-L846 HydrophobicContact CB-CD2 4.35Å; C338-L846 VanDerWaalsContact SG-CD2 3.5Å; L341-L846 HydrophobicContact CD1-CD2 3.69Å; E842-L846 WeakPolarHBondContact O-CB 3.44Å; E842-L846 PolarHBondContact O-N 3.39Å; L843-L846 PolarHBondContact O-N 2.69Å; N844-L846 VanDerWaalsContact C-N 3.33Å; N844-L846 PolarHBondContact O-N 3.39Å; L846-S849 WeakPolarHBondContact CA-OG 3.39Å; L846-S849 CarbonylContact O-C 3.47Å; L846-S849 PolarHBondContact O-N 2.89Å; L846-S849 PolarHBondContact O-OG 3.03Å; L846-L850 WeakPolarHBondContact O-CB 3.26Å; L846-L850 PolarHBondContact O-N 3.34Å
847K91Very high89.4Confident92 Ų9269.9 Ų69.940%0.436%0.362SS..Hα-helixtrans-59.4-47174.5-79.1-179.6178.2176.30112.6L843 N844 S849 L850 E851L843-K847 HydrophobicContact CD2-CD 3.87Å; L843-K847 VanDerWaalsContact CD2-CE 3.47Å; L843-K847 WeakPolarHBondContact O-CB 3.23Å; L843-K847 WeakPolarHBondContact O-CG 3.34Å; L843-K847 PolarHBondContact O-N 2.84Å; N844-K847 PolarHBondContact O-N 3.41Å; K847-S849 VanDerWaalsContact C-N 3.32Å; K847-S849 PolarHBondContact O-N 3.27Å; K847-L850 WeakPolarHBondContact O-CB 3.29Å; K847-L850 PolarHBondContact O-N 3.11Å; K847-L850 VanDerWaalsContact O-N 3.14Å; K847-E851 PolarHBondContact O-N 3.49Å
848L90Very high89.6Confident97 Ų9771.2 Ų71.251%0.50837%0.368SS..Hα-helixtrans-58.2-45174.5-77.6161.7000111.5N844 L850 E851 E852N844-L848 PolarHBondContact O-N 3.48Å; N844-L848 VanDerWaalsContact O-N 3.1Å; L848-L850 VanDerWaalsContact C-N 3.29Å; L848-L850 PolarHBondContact O-N 3.46Å; L848-E851 PolarHBondContact O-N 3.32Å; L848-E852 PolarHBondContact O-N 3.29Å; L848-E852 VanDerWaalsContact O-N 3.13Å
849S88.6Confident89.8Confident34 Ų3470 Ų7024%0.23837%0.366CS..Hα-helixtrans-69.2-26.2177.970.70000113.8M334 T845 L846 K847 A853M334-S849 WeakPolarHBondContact CE-OG 3.36Å; T845-S849 PolarHBondContact O-N 3.34Å; T845-S849 PolarHBondContact O-OG 3.39Å; L846-S849 WeakPolarHBondContact CA-OG 3.39Å; L846-S849 CarbonylContact O-C 3.47Å; L846-S849 PolarHBondContact O-N 2.89Å; L846-S849 PolarHBondContact O-OG 3.03Å; K847-S849 VanDerWaalsContact C-N 3.32Å; K847-S849 PolarHBondContact O-N 3.27Å; S849-A853 WeakPolarHBondContact O-CB 3.41Å; S849-A853 PolarHBondContact O-N 2.85Å
850L92.2Very high89.8Confident22 Ų2269.5 Ų69.512%0.11537%0.365CS..Hα-helixtrans-72.8-41.2173.7175.164.7000110.7V331 M334 E335 L846 K847 L848 E852 A853 I854V331-L850 HydrophobicContact CG1-CD1 4.01Å; M334-L850 HydrophobicContact CB-CD1 3.9Å; E335-L850 HydrophobicContact CG-CD1 3.81Å; E335-L850 HydrophobicContact CG-CD2 3.98Å; L846-L850 WeakPolarHBondContact O-CB 3.26Å; L846-L850 PolarHBondContact O-N 3.34Å; K847-L850 WeakPolarHBondContact O-CB 3.29Å; K847-L850 PolarHBondContact O-N 3.11Å; K847-L850 VanDerWaalsContact O-N 3.14Å; L848-L850 VanDerWaalsContact C-N 3.29Å; L848-L850 PolarHBondContact O-N 3.46Å; L850-E852 VanDerWaalsContact C-N 3.35Å; L850-E852 PolarHBondContact O-N 3.5Å; L850-A853 PolarHBondContact O-N 3.39Å; L850-I854 HydrophobicContact CD1-CD1 4.17Å; L850-I854 HydrophobicContact CD1-CG1 4.25Å; L850-I854 HydrophobicContact CG-CD1 3.96Å; L850-I854 HydrophobicContact CG-CG1 4.48Å; L850-I854 VanDerWaalsContact O-CG1 3.27Å; L850-I854 WeakPolarHBondContact O-CG1 3.46Å; L850-I854 PolarHBondContact O-N 3.36Å
851E89.4Confident90Very high128 Ų12871.6 Ų71.660%0.59837%0.368SS*.Hα-helixtrans-58.7-45.9172.9-72.5175.3-179.800111.3K847 L848 A853 I854 Q855K847-E851 PolarHBondContact O-N 3.49Å; L848-E851 PolarHBondContact O-N 3.32Å; E851-A853 VanDerWaalsContact C-N 3.33Å; E851-A853 PolarHBondContact O-N 3Å; E851-I854 PolarHBondContact O-N 3.11Å; E851-Q855 PolarHBondContact O-N 3.38Å
852E88.6Confident90.1Very high146 Ų14667 Ų6768%0.68236%0.356SS*.Hα-helixtrans-60.9-40.5173.9-69.6178.5172.100112.3L848 L850 Q855 G856L848-E852 PolarHBondContact O-N 3.29Å; L848-E852 VanDerWaalsContact O-N 3.13Å; L850-E852 VanDerWaalsContact C-N 3.35Å; L850-E852 PolarHBondContact O-N 3.5Å; E852-Q855 PolarHBondContact O-N 2.99Å; E852-G856 PolarHBondContact O-N 3.38Å
853A90.8Very high90.2Very high15 Ų1566.6 Ų66.612%0.12435%0.354CS..Hα-helixtrans-69.1-36.4178.400000112.6V331 M334 S849 L850 E851 G856 V857V331-A853 HydrophobicContact CG2-CB 3.83Å; V331-A853 WeakPolarHBondContact CG2-O 3.37Å; M334-A853 HydrophobicContact SD-CB 4.09Å; S849-A853 WeakPolarHBondContact O-CB 3.41Å; S849-A853 PolarHBondContact O-N 2.85Å; L850-A853 PolarHBondContact O-N 3.39Å; E851-A853 VanDerWaalsContact C-N 3.33Å; E851-A853 PolarHBondContact O-N 3Å; A853-G856 PolarHBondContact O-N 3.47Å; A853-V857 PolarHBondContact O-N 3.43Å
854I91.5Very high90.2Very high69 Ų6967.8 Ų67.835%0.35436%0.359SS..Hα-helixtrans-64.2-46.6174.1-70.9165.7000109.7V331 L850 E851 G856 V857 E858V331-I854 HydrophobicContact CG1-CG1 3.95Å; V331-I854 HydrophobicContact CG2-CG1 4.25Å; L850-I854 HydrophobicContact CD1-CD1 4.17Å; L850-I854 HydrophobicContact CD1-CG1 4.25Å; L850-I854 HydrophobicContact CG-CD1 3.96Å; L850-I854 HydrophobicContact CG-CG1 4.48Å; L850-I854 VanDerWaalsContact O-CG1 3.27Å; L850-I854 WeakPolarHBondContact O-CG1 3.46Å; L850-I854 PolarHBondContact O-N 3.36Å; E851-I854 PolarHBondContact O-N 3.11Å; I854-G856 VanDerWaalsContact C-N 3.26Å; I854-G856 PolarHBondContact O-N 3.48Å; I854-V857 WeakPolarHBondContact O-CB 3.25Å; I854-V857 PolarHBondContact O-N 3.04Å; I854-E858 PolarHBondContact O-N 3.11Å; I854-E858 VanDerWaalsContact O-N 3.15Å
855Q88.7Confident90.3Very high95 Ų9569.6 Ų69.644%0.44437%0.365SS..Hα-helixtrans-58.5-41.6174.7-168.261.35700111.4E851 E852 V857 E858 D859E851-Q855 PolarHBondContact O-N 3.38Å; E852-Q855 PolarHBondContact O-N 2.99Å; Q855-V857 VanDerWaalsContact C-N 3.26Å; Q855-V857 PolarHBondContact O-N 3.17Å; Q855-E858 PolarHBondContact NE2-OE2 3.14Å; Q855-E858 WeakPolarHBondContact O-CB 3.47Å; Q855-E858 PolarHBondContact O-N 3.24Å; Q855-E858 VanDerWaalsContact O-N 3.13Å; Q855-D859 PolarHBondContact O-N 2.72Å
856G90.4Very high90.3Very high32 Ų3272.4 Ų72.433%0.3337%0.365SS..Hα-helixtrans-63-27.4175.200000114.3E852 A853 I854 A860E852-G856 PolarHBondContact O-N 3.38Å; A853-G856 PolarHBondContact O-N 3.47Å; I854-G856 VanDerWaalsContact C-N 3.26Å; I854-G856 PolarHBondContact O-N 3.48Å; G856-A860 VanDerWaalsContact O-CB 3.28Å; G856-A860 WeakPolarHBondContact O-CB 3.36Å; G856-A860 PolarHBondContact O-N 3.39Å; G856-A860 VanDerWaalsContact O-N 3.11Å
857V91.6Very high90.3Very high17 Ų1772 Ų7210%0.10336%0.363CS..Hα-helixtrans-70.6-44.8171.3170.30000110.6L324 A327 K328 V331 A853 I854 Q855 D859 A860 Q861L324-V857 HydrophobicContact CD1-CG1 3.99Å; A327-V857 HydrophobicContact CB-CG2 3.7Å; K328-V857 HydrophobicContact CG-CG1 3.92Å; K328-V857 HydrophobicContact CG-CG2 4.32Å; V331-V857 HydrophobicContact CB-CG2 4.48Å; V331-V857 HydrophobicContact CG2-CG2 3.6Å; A853-V857 PolarHBondContact O-N 3.43Å; I854-V857 WeakPolarHBondContact O-CB 3.25Å; I854-V857 PolarHBondContact O-N 3.04Å; Q855-V857 VanDerWaalsContact C-N 3.26Å; Q855-V857 PolarHBondContact O-N 3.17Å; V857-D859 VanDerWaalsContact C-N 3.33Å; V857-D859 PolarHBondContact O-N 3.29Å; V857-A860 PolarHBondContact O-N 3.26Å; V857-Q861 HydrophobicContact CG1-CG 4.32Å; V857-Q861 WeakPolarHBondContact O-CG 3.4Å; V857-Q861 PolarHBondContact O-N 3.02Å
858E89.3Confident90.2Very high102 Ų10271.4 Ų71.448%0.47736%0.364SS..Hα-helixtrans-59.2-45.2177.7-64.8-175.6164.700111.5I854 Q855 A860 Q861 A862I854-E858 PolarHBondContact O-N 3.11Å; I854-E858 VanDerWaalsContact O-N 3.15Å; Q855-E858 PolarHBondContact NE2-OE2 3.14Å; Q855-E858 WeakPolarHBondContact O-CB 3.47Å; Q855-E858 PolarHBondContact O-N 3.24Å; Q855-E858 VanDerWaalsContact O-N 3.13Å; E858-A860 PolarHBondContact O-N 2.83Å; E858-Q861 PolarHBondContact O-N 3.13Å; E858-A862 PolarHBondContact O-N 3.44Å
859D90.4Very high90.2Very high96 Ų9669.9 Ų69.951%0.51336%0.356SS..Hα-helixtrans-62.5-43.1177.2-66.9-20.6000111.5Q855 V857 Q861 A862 E863Q855-D859 PolarHBondContact O-N 2.72Å; V857-D859 VanDerWaalsContact C-N 3.33Å; V857-D859 PolarHBondContact O-N 3.29Å; D859-Q861 VanDerWaalsContact C-N 3.34Å; D859-Q861 PolarHBondContact O-N 3.5Å; D859-A862 PolarHBondContact O-N 2.95Å; D859-E863 WeakPolarHBondContact O-CB 3.41Å; D859-E863 PolarHBondContact O-N 3.38Å
860A90.7Very high90.2Very high13 Ų1370.5 Ų70.511%0.10736%0.364CS..Hα-helixtrans-66.3-34.2176.600000112.6L324 G856 V857 E858 E864L324-A860 HydrophobicContact CB-CB 4.33Å; L324-A860 HydrophobicContact CD1-CB 3.94Å; G856-A860 VanDerWaalsContact O-CB 3.28Å; G856-A860 WeakPolarHBondContact O-CB 3.36Å; G856-A860 PolarHBondContact O-N 3.39Å; G856-A860 VanDerWaalsContact O-N 3.11Å; V857-A860 PolarHBondContact O-N 3.26Å; E858-A860 PolarHBondContact O-N 2.83Å; A860-E864 WeakPolarHBondContact O-CB 3.37Å; A860-E864 PolarHBondContact O-N 3.18Å
861Q90.9Very high90.2Very high85 Ų8570.4 Ų70.440%0.39737%0.365SS..Hα-helixtrans-66.6-46.9173.8-73.2-172.7-67.400111.2L324 V857 E858 D859 E863 E864 E865L324-Q861 HydrophobicContact CD1-CB 4.35Å; L324-Q861 HydrophobicContact CD1-CG 3.31Å; L324-Q861 HydrophobicContact CD2-CG 3.72Å; L324-Q861 HydrophobicContact CG-CG 4.17Å; V857-Q861 HydrophobicContact CG1-CG 4.32Å; V857-Q861 WeakPolarHBondContact O-CG 3.4Å; V857-Q861 PolarHBondContact O-N 3.02Å; E858-Q861 PolarHBondContact O-N 3.13Å; D859-Q861 VanDerWaalsContact C-N 3.34Å; D859-Q861 PolarHBondContact O-N 3.5Å; Q861-E863 VanDerWaalsContact C-N 3.26Å; Q861-E863 PolarHBondContact O-N 2.86Å; Q861-E864 PolarHBondContact O-N 3.48Å; Q861-E865 PolarHBondContact O-N 3.21Å
862A90.2Very high90.2Very high44 Ų4470.9 Ų70.936%0.36436%0.361SS..Hα-helixtrans-63.3-32.8177.600000112.2E858 D859 R866E858-A862 PolarHBondContact O-N 3.44Å; D859-A862 PolarHBondContact O-N 2.95Å; A862-R866 VanDerWaalsContact O-CG 3.31Å; A862-R866 WeakPolarHBondContact O-CG 3.34Å; A862-R866 PolarHBondContact O-N 3.37Å; A862-R866 PolarHBondContact O-NE 2.9Å
863E89.7Confident90.3Very high83 Ų8369 Ų6939%0.38836%0.355SS..Hα-helixtrans-72.5-41.4173.4-170.260.2-149.200112.6D859 Q861 R866 C867D859-E863 WeakPolarHBondContact O-CB 3.41Å; D859-E863 PolarHBondContact O-N 3.38Å; Q861-E863 VanDerWaalsContact C-N 3.26Å; Q861-E863 PolarHBondContact O-N 2.86Å; E863-R866 PolarHBondContact O-N 2.68Å; E863-R866 IonicContact OE2-CZ 2.81Å; E863-R866 IonicContact OE2-NE 3.54Å; E863-R866 IonicContact OE2-NH1 3.36Å; E863-R866 IonicContact OE2-NH2 3.95Å; E863-R866 PolarHBondContact OE2-NH2 3.43Å; E863-C867 WeakPolarHBondContact O-CB 3.39Å; E863-C867 PolarHBondContact O-N 3.3Å; E863-C867 PolarHBondContact O-SG 3.22Å
864E92.4Very high90.3Very high38 Ų3868.8 Ų68.818%0.17835%0.354CS..Hα-helixtrans-61.4-45.9176.3-172-173.2-149.600111.3A320 S321 L324 A860 Q861 R866 C867 I868A320-E864 HydrophobicContact CB-CB 4.17Å; A320-E864 HydrophobicContact CB-CG 4.42Å; S321-E864 WeakPolarHBondContact CA-OE1 3.11Å; S321-E864 WeakPolarHBondContact CB-OE1 3.46Å; S321-E864 PolarHBondContact OG-OE1 3.39Å; L324-E864 WeakPolarHBondContact CD2-OE2 3.46Å; A860-E864 WeakPolarHBondContact O-CB 3.37Å; A860-E864 PolarHBondContact O-N 3.18Å; Q861-E864 PolarHBondContact O-N 3.48Å; E864-R866 PolarHBondContact O-N 3.41Å; E864-C867 PolarHBondContact O-N 3.06Å; E864-I868 HydrophobicContact CG-CD1 3.83Å; E864-I868 HydrophobicContact CG-CG1 4.34Å; E864-I868 WeakPolarHBondContact O-CB 3.4Å; E864-I868 WeakPolarHBondContact O-CG1 3.1Å; E864-I868 PolarHBondContact O-N 2.78Å
865E89.5Confident90.2Very high137 Ų13771.6 Ų71.664%0.6436%0.363SS*.Hα-helixtrans-59.9-46.8178.7-169.2171.4-165.800111.4Q861 C867 I868 D869Q861-E865 PolarHBondContact O-N 3.21Å; E865-C867 VanDerWaalsContact C-N 3.35Å; E865-C867 PolarHBondContact O-N 3.14Å; E865-I868 PolarHBondContact O-N 3.36Å; E865-D869 PolarHBondContact O-N 3.19Å
866R89.3Confident90.2Very high151 Ų15171.5 Ų71.557%0.5736%0.363SS*.Hα-helixtrans-59.5-42.9174.7-76.7-177.8-741612.9112.4A862 E863 E864 A870A862-R866 VanDerWaalsContact O-CG 3.31Å; A862-R866 WeakPolarHBondContact O-CG 3.34Å; A862-R866 PolarHBondContact O-N 3.37Å; A862-R866 PolarHBondContact O-NE 2.9Å; E863-R866 PolarHBondContact O-N 2.68Å; E863-R866 IonicContact OE2-CZ 2.81Å; E863-R866 IonicContact OE2-NE 3.54Å; E863-R866 IonicContact OE2-NH1 3.36Å; E863-R866 IonicContact OE2-NH2 3.95Å; E863-R866 PolarHBondContact OE2-NH2 3.43Å; E864-R866 PolarHBondContact O-N 3.41Å; R866-A870 WeakPolarHBondContact O-CB 3.16Å; R866-A870 PolarHBondContact O-N 2.8Å
867C91.5Very high90.2Very high15 Ų1571.9 Ų71.910%0.10136%0.363CS..Hα-helixtrans-69.2-37.7179.3-74.10000112.9A320 E863 E864 E865 A870 S871A320-C867 HydrophobicContact CB-CB 4.18Å; E863-C867 WeakPolarHBondContact O-CB 3.39Å; E863-C867 PolarHBondContact O-N 3.3Å; E863-C867 PolarHBondContact O-SG 3.22Å; E864-C867 PolarHBondContact O-N 3.06Å; E865-C867 VanDerWaalsContact C-N 3.35Å; E865-C867 PolarHBondContact O-N 3.14Å; C867-A870 PolarHBondContact O-N 2.95Å; C867-S871 WeakPolarHBondContact O-CB 3.18Å; C867-S871 PolarHBondContact O-N 3.05Å
868I89.2Confident90.2Very high80 Ų8071.5 Ų71.541%0.4136%0.36SS..Hα-helixtrans-63.3-46.2175.5-73.6171.3000110.2S317 E864 E865 S871 R872S317-I868 WeakPolarHBondContact OG-CG1 3.5Å; E864-I868 HydrophobicContact CG-CD1 3.83Å; E864-I868 HydrophobicContact CG-CG1 4.34Å; E864-I868 WeakPolarHBondContact O-CB 3.4Å; E864-I868 WeakPolarHBondContact O-CG1 3.1Å; E864-I868 PolarHBondContact O-N 2.78Å; E865-I868 PolarHBondContact O-N 3.36Å; I868-S871 PolarHBondContact O-N 3.12Å; I868-R872 PolarHBondContact O-N 2.81Å
869D88.6Confident90.3Very high65 Ų6569.7 Ų69.735%0.34836%0.357SS..Hα-helixtrans-62.9-43.3177.8-92.5-20.8000112.3E865 S871 R872 L873E865-D869 PolarHBondContact O-N 3.19Å; D869-S871 VanDerWaalsContact C-N 3.32Å; D869-S871 PolarHBondContact O-N 3.05Å; D869-R872 PolarHBondContact O-N 3.46Å; D869-R872 IonicContact OD1-CZ 3.67Å; D869-R872 IonicContact OD1-NE 3.79Å; D869-R872 IonicContact OD1-NH2 3.49Å; D869-R872 PolarHBondContact OD1-NH2 2.72Å; D869-L873 WeakPolarHBondContact O-CG 3.44Å; D869-L873 PolarHBondContact O-N 3.08Å
870A90.1Very high90.2Very high48 Ų4872 Ų7240%0.39736%0.362SS..Hα-helixtrans-60.3-41.917400000111.9R866 C867 L873 A874R866-A870 WeakPolarHBondContact O-CB 3.16Å; R866-A870 PolarHBondContact O-N 2.8Å; C867-A870 PolarHBondContact O-N 2.95Å; A870-L873 PolarHBondContact O-N 3.29Å; A870-A874 WeakPolarHBondContact O-CB 3.37Å; A870-A874 PolarHBondContact O-N 3.21Å
871S90.7Very high90.1Very high20 Ų2072 Ų7214%0.1436%0.362CS..Hα-helixtrans-65.3-37.8176.5-173.50000112.4C867 I868 D869 K875C867-S871 WeakPolarHBondContact O-CB 3.18Å; C867-S871 PolarHBondContact O-N 3.05Å; I868-S871 PolarHBondContact O-N 3.12Å; D869-S871 VanDerWaalsContact C-N 3.32Å; D869-S871 PolarHBondContact O-N 3.05Å; S871-K875 WeakPolarHBondContact O-CB 3.41Å; S871-K875 PolarHBondContact O-N 2.97Å; S871-K875 VanDerWaalsContact O-N 3.11Å
872R90Very high90Very high137 Ų13773.5 Ų73.552%0.51736%0.364SS..Hα-helixtrans-64.2-50.7175.9-177.8-177.662-176.4-7.6111.1I868 D869 A874 K875 E876I868-R872 PolarHBondContact O-N 2.81Å; D869-R872 PolarHBondContact O-N 3.46Å; D869-R872 IonicContact OD1-CZ 3.67Å; D869-R872 IonicContact OD1-NE 3.79Å; D869-R872 IonicContact OD1-NH2 3.49Å; D869-R872 PolarHBondContact OD1-NH2 2.72Å; R872-A874 VanDerWaalsContact C-N 3.35Å; R872-A874 PolarHBondContact O-N 2.94Å; R872-K875 WeakPolarHBondContact O-CB 3.16Å; R872-K875 PolarHBondContact O-N 3.03Å; R872-E876 PolarHBondContact O-N 3Å
873L90.5Very high90Very high106 Ų10677.7 Ų77.756%0.55538%0.376SS*.Hα-helixtrans-61.2-42179.8-70.7171.7000112.1D869 A870 K875 E876 A877D869-L873 WeakPolarHBondContact O-CG 3.44Å; D869-L873 PolarHBondContact O-N 3.08Å; A870-L873 PolarHBondContact O-N 3.29Å; L873-K875 VanDerWaalsContact C-N 3.33Å; L873-K875 PolarHBondContact O-N 3.05Å; L873-E876 PolarHBondContact O-N 3.28Å; L873-A877 PolarHBondContact O-N 2.86Å
874A90.4Very high89.9Confident12 Ų1275.4 Ų75.410%0.09937%0.372CS..Hα-helixtrans-63.9-38.7177.100000112.2E310 A313 A870 R872 A877 L878E310-A874 HydrophobicContact CB-CB 4.16Å; A313-A874 HydrophobicContact CB-CB 4.15Å; A870-A874 WeakPolarHBondContact O-CB 3.37Å; A870-A874 PolarHBondContact O-N 3.21Å; R872-A874 VanDerWaalsContact C-N 3.35Å; R872-A874 PolarHBondContact O-N 2.94Å; A874-A877 PolarHBondContact O-N 3.46Å; A874-L878 WeakPolarHBondContact O-CB 3.49Å; A874-L878 PolarHBondContact O-N 3.43Å
875K90Very high89.7Confident127 Ų12773.9 Ų73.955%0.55237%0.365SS*.Hα-helixtrans-65.3-42.5176.6-172178.6179.7-175.90112.3E310 S871 R872 L873 L878 T879E310-K875 HydrophobicContact CG-CB 4.23Å; S871-K875 WeakPolarHBondContact O-CB 3.41Å; S871-K875 PolarHBondContact O-N 2.97Å; S871-K875 VanDerWaalsContact O-N 3.11Å; R872-K875 WeakPolarHBondContact O-CB 3.16Å; R872-K875 PolarHBondContact O-N 3.03Å; L873-K875 VanDerWaalsContact C-N 3.33Å; L873-K875 PolarHBondContact O-N 3.05Å; K875-L878 PolarHBondContact O-N 3.43Å; K875-T879 PolarHBondContact O-N 3.39Å; K875-T879 PolarHBondContact O-OG1 3.24Å
876E89.2Confident89.6Confident93 Ų9373.3 Ų73.344%0.43537%0.365SS..Hα-helixtrans-64.9-38.6176.1-71.7176.8-171.900112.6R872 L873 T879 K880R872-E876 PolarHBondContact O-N 3Å; L873-E876 PolarHBondContact O-N 3.28Å; E876-T879 WeakPolarHBondContact CA-OG1 3.45Å; E876-T879 PolarHBondContact O-N 3.11Å; E876-T879 PolarHBondContact O-OG1 3Å; E876-K880 WeakPolarHBondContact O-CG 3.49Å; E876-K880 PolarHBondContact O-N 3.24Å
877A90.3Very high89.5Confident41 Ų4173.6 Ų73.634%0.33937%0.37SS..Hα-helixtrans-63.4-43.117400000111.2L873 A874 T879 K880 A881L873-A877 PolarHBondContact O-N 2.86Å; A874-A877 PolarHBondContact O-N 3.46Å; A877-T879 PolarHBondContact O-N 2.91Å; A877-K880 PolarHBondContact O-N 2.98Å; A877-A881 WeakPolarHBondContact O-CB 3.49Å; A877-A881 PolarHBondContact O-N 3.27Å
878L92.1Very high89.3Confident8 Ų874.3 Ų74.34%0.04237%0.372CS..Hα-helixtrans-63-41.1177.217658.6000112.6M303 C306 Q307 E310 A874 K875 A881 R882M303-L878 HydrophobicContact CG-CD1 4.21Å; C306-L878 HydrophobicContact CB-CB 4.23Å; C306-L878 HydrophobicContact CB-CD1 4.17Å; Q307-L878 HydrophobicContact CB-CD1 4.3Å; Q307-L878 HydrophobicContact CG-CD1 3.31Å; Q307-L878 HydrophobicContact CG-CD2 4.11Å; Q307-L878 HydrophobicContact CG-CG 4.37Å; E310-L878 HydrophobicContact CB-CD2 4.09Å; E310-L878 HydrophobicContact CG-CD2 4.13Å; A874-L878 WeakPolarHBondContact O-CB 3.49Å; A874-L878 PolarHBondContact O-N 3.43Å; K875-L878 PolarHBondContact O-N 3.43Å; L878-A881 PolarHBondContact O-N 3.34Å; L878-R882 HydrophobicContact CD1-CG 4.12Å; L878-R882 WeakPolarHBondContact O-CB 3.09Å; L878-R882 WeakPolarHBondContact O-CG 3.43Å; L878-R882 PolarHBondContact O-N 2.79Å
879T89.8Confident89.2Confident65 Ų6576.6 Ų76.640%0.39938%0.375SS..Hα-helixtrans-63.2-44.1177.648.20000111.5K875 E876 A877 A881 R882 E883K875-T879 PolarHBondContact O-N 3.39Å; K875-T879 PolarHBondContact O-OG1 3.24Å; E876-T879 WeakPolarHBondContact CA-OG1 3.45Å; E876-T879 PolarHBondContact O-N 3.11Å; E876-T879 PolarHBondContact O-OG1 3Å; A877-T879 PolarHBondContact O-N 2.91Å; T879-A881 PolarHBondContact O-N 2.95Å; T879-R882 PolarHBondContact O-N 2.81Å; T879-E883 WeakPolarHBondContact O-CG 3.29Å; T879-E883 PolarHBondContact O-N 3.5Å
880K88.7Confident89.1Confident144 Ų14475.1 Ų75.163%0.62638%0.375SS*.Hα-helixtrans-63.2-43.1176.9-71.8178.1-179.5175.10112.4E876 A877 R882 E883 A884E876-K880 WeakPolarHBondContact O-CG 3.49Å; E876-K880 PolarHBondContact O-N 3.24Å; A877-K880 PolarHBondContact O-N 2.98Å; K880-R882 VanDerWaalsContact C-N 3.35Å; K880-R882 PolarHBondContact O-N 3.05Å; K880-E883 PolarHBondContact O-N 3.29Å; K880-A884 PolarHBondContact O-N 2.8Å; K880-A884 VanDerWaalsContact O-N 3.11Å
881A89.1Confident88.9Confident12 Ų1275.8 Ų75.810%0.09937%0.372CS..Hα-helixtrans-63.2-41.4177.600000111.8M303 A877 L878 T879 A884 V885M303-A881 HydrophobicContact CB-CB 4.13Å; M303-A881 HydrophobicContact CG-CB 4.47Å; A877-A881 WeakPolarHBondContact O-CB 3.49Å; A877-A881 PolarHBondContact O-N 3.27Å; L878-A881 PolarHBondContact O-N 3.34Å; T879-A881 PolarHBondContact O-N 2.95Å; A881-A884 PolarHBondContact O-N 3.24Å; A881-V885 WeakPolarHBondContact O-CG2 3.27Å; A881-V885 PolarHBondContact O-N 3.17Å; A881-V885 VanDerWaalsContact O-N 3.11Å
882R89.2Confident88.6Confident117 Ų11775.2 Ų75.244%0.44237%0.368SS..Hα-helixtrans-61.6-44.9175.7-78.7177.4174.5178.52112.5M303 L878 T879 K880 A884 V885 I886M303-R882 HydrophobicContact CG-CG 4.03Å; M303-R882 HydrophobicContact SD-CG 3.73Å; L878-R882 HydrophobicContact CD1-CG 4.12Å; L878-R882 WeakPolarHBondContact O-CB 3.09Å; L878-R882 WeakPolarHBondContact O-CG 3.43Å; L878-R882 PolarHBondContact O-N 2.79Å; T879-R882 PolarHBondContact O-N 2.81Å; K880-R882 VanDerWaalsContact C-N 3.35Å; K880-R882 PolarHBondContact O-N 3.05Å; R882-A884 VanDerWaalsContact C-N 3.32Å; R882-A884 PolarHBondContact O-N 2.84Å; R882-V885 PolarHBondContact O-N 3.05Å; R882-I886 WeakPolarHBondContact O-CG1 3.4Å; R882-I886 PolarHBondContact O-N 2.88Å
883E89Confident88.4Confident132 Ų13273.2 Ų73.262%0.61737%0.367SS*.Hα-helixtrans-61-41.1177.6-73.8173.2179.900112T879 K880 I886 K887T879-E883 WeakPolarHBondContact O-CG 3.29Å; T879-E883 PolarHBondContact O-N 3.5Å; K880-E883 PolarHBondContact O-N 3.29Å; E883-I886 PolarHBondContact O-N 2.88Å; E883-K887 WeakPolarHBondContact O-CB 3.45Å; E883-K887 PolarHBondContact O-N 3.22Å
884A88.8Confident88.1Confident36 Ų3674 Ų7430%0.29837%0.368SS..Hα-helixtrans-63-43.9177.100000112.4L299 K880 A881 R882 K887 Q888L299-A884 HydrophobicContact CD2-CB 3.83Å; K880-A884 PolarHBondContact O-N 2.8Å; K880-A884 VanDerWaalsContact O-N 3.11Å; A881-A884 PolarHBondContact O-N 3.24Å; R882-A884 VanDerWaalsContact C-N 3.32Å; R882-A884 PolarHBondContact O-N 2.84Å; A884-K887 PolarHBondContact O-N 2.99Å; A884-Q888 PolarHBondContact O-N 3.42Å
885V88.8Confident87.9Confident6 Ų674 Ų744%0.03637%0.367CS..Hα-helixtrans-62.3-44.9176.1173.10000111.3L299 E300 M303 A881 R882 K887 Q888 R889L299-V885 HydrophobicContact CB-CG2 3.86Å; L299-V885 WeakPolarHBondContact O-CG2 3.22Å; E300-V885 HydrophobicContact CG-CG1 4.26Å; E300-V885 HydrophobicContact CG-CG2 4.42Å; M303-V885 HydrophobicContact CB-CG2 4.14Å; M303-V885 HydrophobicContact SD-CG2 4.24Å; A881-V885 WeakPolarHBondContact O-CG2 3.27Å; A881-V885 PolarHBondContact O-N 3.17Å; A881-V885 VanDerWaalsContact O-N 3.11Å; R882-V885 PolarHBondContact O-N 3.05Å; V885-K887 VanDerWaalsContact C-N 3.34Å; V885-K887 PolarHBondContact O-N 2.86Å; V885-Q888 PolarHBondContact O-N 3.41Å; V885-R889 HydrophobicContact CG1-CG 4.44Å; V885-R889 WeakPolarHBondContact O-CG 3.48Å; V885-R889 PolarHBondContact O-N 3.31Å
886I87.1Confident87.7Confident124 Ų12471.5 Ų71.564%0.63636%0.359SS*.Hα-helixtrans-60.5-45.5178.8-69.5167.4000110.6R882 E883 Q888 R889 G890R882-I886 WeakPolarHBondContact O-CG1 3.4Å; R882-I886 PolarHBondContact O-N 2.88Å; E883-I886 PolarHBondContact O-N 2.88Å; I886-Q888 PolarHBondContact O-N 2.84Å; I886-R889 PolarHBondContact O-N 3.46Å; I886-G890 PolarHBondContact O-N 3.47Å; I886-G890 VanDerWaalsContact O-N 3.11Å
887K86.5Confident87.5Confident158 Ų15875.1 Ų75.169%0.68737%0.368SS*.Hα-helixtrans-60.8-44.1178.2-173.7-179.4178.1-176.20111.8E883 A884 V885 G890 L891E883-K887 WeakPolarHBondContact O-CB 3.45Å; E883-K887 PolarHBondContact O-N 3.22Å; A884-K887 PolarHBondContact O-N 2.99Å; V885-K887 VanDerWaalsContact C-N 3.34Å; V885-K887 PolarHBondContact O-N 2.86Å; K887-G890 PolarHBondContact O-N 3.23Å; K887-L891 PolarHBondContact O-N 3.2Å
888Q87.9Confident87.3Confident30 Ų3075.2 Ų75.214%0.1437%0.369CS..Hα-helixtrans-66-42.7-179.5-165.271.2-2.200111.9H291 T295 L296 L299 A884 V885 I886 G890 L891 I892H291-Q888 PolarHBondContact O-NE2 3.18Å; T295-Q888 PolarHBondContact OG1-NE2 3.42Å; L296-Q888 HydrophobicContact CD1-CB 4.28Å; L296-Q888 HydrophobicContact CD1-CG 4.17Å; L299-Q888 HydrophobicContact CD1-CB 3.9Å; L299-Q888 HydrophobicContact CD1-CG 4.06Å; A884-Q888 PolarHBondContact O-N 3.42Å; V885-Q888 PolarHBondContact O-N 3.41Å; I886-Q888 PolarHBondContact O-N 2.84Å; Q888-G890 VanDerWaalsContact C-N 3.29Å; Q888-G890 PolarHBondContact O-N 3.38Å; Q888-L891 PolarHBondContact O-N 3.02Å; Q888-I892 WeakPolarHBondContact O-CG1 3.21Å; Q888-I892 PolarHBondContact O-N 2.98Å
889R86.9Confident87.1Confident127 Ų12775.3 Ų75.348%0.47937%0.369SS..Hα-helixtrans-60.3-37.9175.3-73.9-178.2174.8-162.6-1.4112.4L296 E300 V885 I886 L891 I892 D893L296-R889 HydrophobicContact CD1-CG 4.11Å; E300-R889 IonicContact OE1-CZ 3.15Å; E300-R889 IonicContact OE1-NE 2.72Å; E300-R889 PolarHBondContact OE1-NE 3.2Å; E300-R889 IonicContact OE1-NH2 2.82Å; E300-R889 PolarHBondContact OE1-NH2 3.39Å; V885-R889 HydrophobicContact CG1-CG 4.44Å; V885-R889 WeakPolarHBondContact O-CG 3.48Å; V885-R889 PolarHBondContact O-N 3.31Å; I886-R889 PolarHBondContact O-N 3.46Å; R889-L891 VanDerWaalsContact C-N 3.35Å; R889-L891 PolarHBondContact O-N 3.07Å; R889-I892 PolarHBondContact O-N 3.41Å; R889-D893 PolarHBondContact O-N 3.41Å
890G85.6Confident86.9Confident34 Ų3474.7 Ų74.735%0.35137%0.371SS..Hα-helixtrans-58.6-41.7174.700000113.8I886 K887 Q888 D893 E894I886-G890 PolarHBondContact O-N 3.47Å; I886-G890 VanDerWaalsContact O-N 3.11Å; K887-G890 PolarHBondContact O-N 3.23Å; Q888-G890 VanDerWaalsContact C-N 3.29Å; Q888-G890 PolarHBondContact O-N 3.38Å; G890-D893 PolarHBondContact O-N 3.46Å; G890-E894 PolarHBondContact O-N 3.33Å
891L86.7Confident86.8Confident63 Ų6370.8 Ų70.833%0.3337%0.366SS..Hα-helixtrans-66.7-37.8176.7-66.2171000112.1K887 Q888 R889 E894 T895K887-L891 PolarHBondContact O-N 3.2Å; Q888-L891 PolarHBondContact O-N 3.02Å; R889-L891 VanDerWaalsContact C-N 3.35Å; R889-L891 PolarHBondContact O-N 3.07Å; L891-E894 PolarHBondContact O-N 2.99Å; L891-T895 PolarHBondContact O-N 3.43Å; L891-T895 VanDerWaalsContact O-N 3.11Å; L891-T895 PolarHBondContact O-OG1 3.28Å
892I85.2Confident86.7Confident8 Ų870.6 Ų70.64%0.04136%0.364CS..Hα-helixtrans-64.3-45176.2-63.7166000110.3H291 Q292 L296 Q888 R889 E894 T895 I896H291-I892 HydrophobicContact CB-CG1 3.76Å; Q292-I892 HydrophobicContact CB-CD1 4.03Å; Q292-I892 HydrophobicContact CB-CG1 4.34Å; Q292-I892 HydrophobicContact CG-CD1 4.18Å; L296-I892 HydrophobicContact CB-CD1 4.49Å; L296-I892 HydrophobicContact CD1-CD1 4.48Å; L296-I892 HydrophobicContact CD2-CD1 3.78Å; L296-I892 HydrophobicContact CG-CD1 4.48Å; Q888-I892 WeakPolarHBondContact O-CG1 3.21Å; Q888-I892 PolarHBondContact O-N 2.98Å; R889-I892 PolarHBondContact O-N 3.41Å; I892-E894 VanDerWaalsContact C-N 3.27Å; I892-E894 PolarHBondContact O-N 3.05Å; I892-T895 WeakPolarHBondContact CA-OG1 3.42Å; I892-T895 PolarHBondContact O-N 3.3Å; I892-T895 PolarHBondContact O-OG1 3.28Å; I892-I896 HydrophobicContact CG2-CD1 3.59Å; I892-I896 HydrophobicContact CG2-CG1 4.15Å; I892-I896 WeakPolarHBondContact O-CB 3.43Å; I892-I896 WeakPolarHBondContact O-CG1 3.44Å; I892-I896 PolarHBondContact O-N 2.69Å
893D84.7Confident86.5Confident95 Ų9569.8 Ų69.851%0.50837%0.365SS..Hα-helixtrans-64.7-30.3-180-73.1-17.3000113.1R889 G890 R897R889-D893 PolarHBondContact O-N 3.41Å; G890-D893 PolarHBondContact O-N 3.46Å; D893-R897 WeakPolarHBondContact O-CG 3.49Å; D893-R897 PolarHBondContact O-N 3.21Å; D893-R897 PolarHBondContact O-NE 2.89Å
894E84.3Confident86.3Confident121 Ų12170.8 Ų70.857%0.56537%0.368SS*.Hα-helixtrans-70.6-45.5172.3-74.8-178.9174.800112.2G890 L891 I892 R897 A898G890-E894 PolarHBondContact O-N 3.33Å; L891-E894 PolarHBondContact O-N 2.99Å; I892-E894 VanDerWaalsContact C-N 3.27Å; I892-E894 PolarHBondContact O-N 3.05Å; E894-R897 PolarHBondContact O-N 2.92Å; E894-A898 PolarHBondContact O-N 3.08Å; E894-A898 VanDerWaalsContact O-N 3.16Å
895T86.6Confident86.1Confident14 Ų1474.1 Ų74.19%0.08638%0.377CS..Hα-helixtrans-67.4-39.7179.252.50000112.6Q287 L891 I892 R897 A898 L899Q287-T895 HydrophobicContact CB-CG2 4.38Å; L891-T895 PolarHBondContact O-N 3.43Å; L891-T895 VanDerWaalsContact O-N 3.11Å; L891-T895 PolarHBondContact O-OG1 3.28Å; I892-T895 WeakPolarHBondContact CA-OG1 3.42Å; I892-T895 PolarHBondContact O-N 3.3Å; I892-T895 PolarHBondContact O-OG1 3.28Å; T895-R897 VanDerWaalsContact C-N 3.31Å; T895-R897 PolarHBondContact O-N 2.85Å; T895-A898 PolarHBondContact O-N 3.1Å; T895-L899 VanDerWaalsContact O-CB 3.29Å; T895-L899 WeakPolarHBondContact O-CB 3.36Å; T895-L899 PolarHBondContact O-N 3.32Å
896I85.8Confident85.9Confident73 Ų7374.3 Ų74.337%0.37438%0.38SS..Hα-helixtrans-59.2-42.7175-71.2173.1000110.9I892 L899 A900I892-I896 HydrophobicContact CG2-CD1 3.59Å; I892-I896 HydrophobicContact CG2-CG1 4.15Å; I892-I896 WeakPolarHBondContact O-CB 3.43Å; I892-I896 WeakPolarHBondContact O-CG1 3.44Å; I892-I896 PolarHBondContact O-N 2.69Å; I896-L899 PolarHBondContact O-N 3.35Å; I896-A900 WeakPolarHBondContact O-CB 3.22Å; I896-A900 PolarHBondContact O-N 3.37Å
897R84.8Confident85.7Confident169 Ų16970 Ų7064%0.63837%0.366SS*.Hα-helixtrans-63.7-42177.4-80.6-177.2-77.2163.4-4.1112.3D893 E894 T895 A901D893-R897 WeakPolarHBondContact O-CG 3.49Å; D893-R897 PolarHBondContact O-N 3.21Å; D893-R897 PolarHBondContact O-NE 2.89Å; E894-R897 PolarHBondContact O-N 2.92Å; T895-R897 VanDerWaalsContact C-N 3.31Å; T895-R897 PolarHBondContact O-N 2.85Å; R897-A901 PolarHBondContact O-N 3.28Å
898A86.4Confident85.6Confident43 Ų4368 Ų6836%0.35536%0.359SS..Hα-helixtrans-65.6-40.4176.700000112.2L284 E894 T895 A901 A902L284-A898 HydrophobicContact CD1-CB 4.14Å; L284-A898 HydrophobicContact CD2-CB 4.12Å; E894-A898 PolarHBondContact O-N 3.08Å; E894-A898 VanDerWaalsContact O-N 3.16Å; T895-A898 PolarHBondContact O-N 3.1Å; A898-A901 PolarHBondContact O-N 2.81Å; A898-A902 PolarHBondContact O-N 3.1Å; A898-A902 VanDerWaalsContact O-N 3.16Å
899L88.4Confident85.5Confident10 Ų1068.1 Ų68.15%0.05236%0.36CS..Hα-helixtrans-66.6-44.9-179.9-170149.3000111.5L284 C285 T895 I896 A901 A902 E903L284-L899 HydrophobicContact CB-CB 4.39Å; L284-L899 HydrophobicContact CB-CD1 4.21Å; C285-L899 HydrophobicContact CB-CD1 4.4Å; C285-L899 VanDerWaalsContact SG-CD1 3.58Å; T895-L899 VanDerWaalsContact O-CB 3.29Å; T895-L899 WeakPolarHBondContact O-CB 3.36Å; T895-L899 PolarHBondContact O-N 3.32Å; I896-L899 PolarHBondContact O-N 3.35Å; L899-A901 VanDerWaalsContact C-N 3.26Å; L899-A901 PolarHBondContact O-N 3.11Å; L899-A902 PolarHBondContact O-N 3.42Å; L899-A902 VanDerWaalsContact O-N 3.14Å; L899-E903 HydrophobicContact CD2-CG 3.92Å; L899-E903 VanDerWaalsContact CD2-OE1 3.28Å; L899-E903 WeakPolarHBondContact CD2-OE1 3.44Å; L899-E903 WeakPolarHBondContact O-CG 3.43Å; L899-E903 PolarHBondContact O-N 2.88Å
900A85.4Confident85.4Confident53 Ų5364.3 Ų64.344%0.43835%0.351SS..Hα-helixtrans-59.6-35.6175.900000112.8I896 K904I896-A900 WeakPolarHBondContact O-CB 3.22Å; I896-A900 PolarHBondContact O-N 3.37Å; A900-K904 WeakPolarHBondContact O-CB 3.47Å; A900-K904 PolarHBondContact O-N 2.96Å
901A85.5Confident85.2Confident62 Ų6268.9 Ų68.951%0.51236%0.363SS..Hα-helixtrans-66.9-45.3175.300000111.8R897 A898 L899 K904 E905R897-A901 PolarHBondContact O-N 3.28Å; A898-A901 PolarHBondContact O-N 2.81Å; L899-A901 VanDerWaalsContact C-N 3.26Å; L899-A901 PolarHBondContact O-N 3.11Å; A901-K904 PolarHBondContact O-N 3.11Å; A901-E905 PolarHBondContact O-N 2.75Å
902A86.9Confident85Confident8 Ų868.1 Ų68.17%0.06636%0.363CS..Hα-helixtrans-67.6-41.1179.200000112.7M277 I281 L284 A898 L899 K904 E905 A906M277-A902 HydrophobicContact CE-CB 3.95Å; I281-A902 HydrophobicContact CD1-CB 4.46Å; I281-A902 HydrophobicContact CG1-CB 3.75Å; L284-A902 HydrophobicContact CD1-CB 4.3Å; A898-A902 PolarHBondContact O-N 3.1Å; A898-A902 VanDerWaalsContact O-N 3.16Å; L899-A902 PolarHBondContact O-N 3.42Å; L899-A902 VanDerWaalsContact O-N 3.14Å; A902-K904 VanDerWaalsContact C-N 3.32Å; A902-K904 PolarHBondContact O-N 2.93Å; A902-E905 PolarHBondContact O-N 3.09Å; A902-A906 WeakPolarHBondContact O-CB 3.16Å; A902-A906 PolarHBondContact O-N 3.18Å
903E85.9Confident84.9Confident99 Ų9968.6 Ų68.646%0.46337%0.366SS..Hα-helixtrans-61.5-39.1176.3-76.1-176155.300112.2I281 L899 E905 A906 G907I281-E903 HydrophobicContact CD1-CG 4.17Å; I281-E903 HydrophobicContact CG1-CG 4.48Å; L899-E903 HydrophobicContact CD2-CG 3.92Å; L899-E903 VanDerWaalsContact CD2-OE1 3.28Å; L899-E903 WeakPolarHBondContact CD2-OE1 3.44Å; L899-E903 WeakPolarHBondContact O-CG 3.43Å; L899-E903 PolarHBondContact O-N 2.88Å; E903-E905 VanDerWaalsContact C-N 3.32Å; E903-E905 PolarHBondContact O-N 2.95Å; E903-A906 PolarHBondContact O-N 3.27Å; E903-G907 PolarHBondContact O-N 3.36Å
904K85Confident84.8Confident153 Ų15368.2 Ų68.267%0.66536%0.364SS*.Hα-helixtrans-60.8-43.4176.8-175.5-178.7178.1-176.20111.6A900 A901 A902 G907 Q908A900-K904 WeakPolarHBondContact O-CB 3.47Å; A900-K904 PolarHBondContact O-N 2.96Å; A901-K904 PolarHBondContact O-N 3.11Å; A902-K904 VanDerWaalsContact C-N 3.32Å; A902-K904 PolarHBondContact O-N 2.93Å; K904-G907 PolarHBondContact O-N 3.21Å; K904-Q908 WeakPolarHBondContact O-CG 3.4Å; K904-Q908 PolarHBondContact O-N 2.98Å
905E82.9Confident84.6Confident107 Ų10768.7 Ų68.750%0.537%0.366SS..Hα-helixtrans-72.2-41.2-179.8-173.8172.5-157.700111.6M277 A901 A902 E903 G907 Q908 L909M277-E905 HydrophobicContact CE-CB 3.85Å; M277-E905 HydrophobicContact CE-CG 3.96Å; M277-E905 VanDerWaalsContact CE-OE2 3.22Å; M277-E905 WeakPolarHBondContact CE-OE2 3.37Å; A901-E905 PolarHBondContact O-N 2.75Å; A902-E905 PolarHBondContact O-N 3.09Å; E903-E905 VanDerWaalsContact C-N 3.32Å; E903-E905 PolarHBondContact O-N 2.95Å; E905-G907 VanDerWaalsContact C-N 3.31Å; E905-G907 PolarHBondContact O-N 2.82Å; E905-Q908 PolarHBondContact O-N 3.04Å; E905-L909 PolarHBondContact O-N 2.95Å
906A84.6Confident84.4Confident10 Ų1068.4 Ų68.48%0.08336%0.364CS..Hα-helixtrans-61.1-38.8171.400000112.3M277 I281 A902 E903 Q908 L909 V910M277-A906 HydrophobicContact CB-CB 4.24Å; I281-A906 HydrophobicContact CD1-CB 3.57Å; A902-A906 WeakPolarHBondContact O-CB 3.16Å; A902-A906 PolarHBondContact O-N 3.18Å; E903-A906 PolarHBondContact O-N 3.27Å; A906-Q908 VanDerWaalsContact C-N 3.31Å; A906-Q908 PolarHBondContact O-N 2.74Å; A906-L909 WeakPolarHBondContact O-CB 3.17Å; A906-L909 PolarHBondContact O-N 2.88Å; A906-L909 VanDerWaalsContact O-N 3.17Å; A906-V910 WeakPolarHBondContact O-CG2 3.27Å; A906-V910 PolarHBondContact O-N 3.21Å
907G83.8Confident84.1Confident34 Ų3466.8 Ų66.835%0.35136%0.356SS..Hα-helixtrans-59.9-39.1175.800000112.9E903 K904 E905 V910 Q911E903-G907 PolarHBondContact O-N 3.36Å; K904-G907 PolarHBondContact O-N 3.21Å; E905-G907 VanDerWaalsContact C-N 3.31Å; E905-G907 PolarHBondContact O-N 2.82Å; G907-V910 PolarHBondContact O-N 3.24Å; G907-Q911 WeakPolarHBondContact O-CG 3.31Å; G907-Q911 PolarHBondContact O-N 2.83Å
908Q84.7Confident83.6Confident114 Ų11461.5 Ų61.553%0.53335%0.345SS..Hα-helixtrans-66.6-38.1175-69.1176.1-12.600112.2K904 E905 A906 Q911 S912K904-Q908 WeakPolarHBondContact O-CG 3.4Å; K904-Q908 PolarHBondContact O-N 2.98Å; E905-Q908 PolarHBondContact O-N 3.04Å; A906-Q908 VanDerWaalsContact C-N 3.31Å; A906-Q908 PolarHBondContact O-N 2.74Å; Q908-Q911 PolarHBondContact O-N 3.5Å; Q908-S912 PolarHBondContact O-N 2.9Å; Q908-S912 VanDerWaalsContact O-N 3.16Å; Q908-S912 PolarHBondContact O-OG 2.8Å; Q908-S912 VanDerWaalsContact O-OG 3.08Å
909L86.1Confident83.1Confident33 Ų3363.8 Ų63.817%0.17335%0.349CS..Hα-helixtrans-67.4-41.7175.2-70.8170.2000112L270 K274 M277 E905 A906 S912 L913L270-L909 HydrophobicContact CD2-CD2 4.24Å; K274-L909 HydrophobicContact CB-CB 4.48Å; M277-L909 HydrophobicContact CB-CD1 4.46Å; M277-L909 HydrophobicContact CG-CD1 3.95Å; E905-L909 PolarHBondContact O-N 2.95Å; A906-L909 WeakPolarHBondContact O-CB 3.17Å; A906-L909 PolarHBondContact O-N 2.88Å; A906-L909 VanDerWaalsContact O-N 3.17Å; L909-S912 PolarHBondContact O-N 3.1Å; L909-L913 VanDerWaalsContact O-CB 3.29Å; L909-L913 WeakPolarHBondContact O-CB 3.35Å; L909-L913 PolarHBondContact O-N 2.89Å
910V83.4Confident82.7Confident47 Ų4763.6 Ų63.629%0.28535%0.348SS..Hα-helixtrans-63.4-41.6176170.40000111.2K274 A906 G907 S912 L913 N914K274-V910 HydrophobicContact CD-CG2 4.02Å; A906-V910 WeakPolarHBondContact O-CG2 3.27Å; A906-V910 PolarHBondContact O-N 3.21Å; G907-V910 PolarHBondContact O-N 3.24Å; V910-S912 VanDerWaalsContact C-N 3.34Å; V910-S912 PolarHBondContact O-N 3.29Å; V910-L913 PolarHBondContact O-N 3.18Å; V910-N914 WeakPolarHBondContact CG1-ND2 3.23Å; V910-N914 VanDerWaalsContact O-CB 3.3Å; V910-N914 WeakPolarHBondContact O-CB 3.4Å; V910-N914 PolarHBondContact O-N 3.4Å; V910-N914 PolarHBondContact O-ND2 3.45Å
911Q81.5Confident82.1Confident130 Ų13064.9 Ų64.961%0.60735%0.347SS*.Hα-helixtrans-59.3-47.1175.6-77.1-178.45.100111.5G907 Q908 N914 Q915G907-Q911 WeakPolarHBondContact O-CG 3.31Å; G907-Q911 PolarHBondContact O-N 2.83Å; Q908-Q911 PolarHBondContact O-N 3.5Å; Q911-N914 PolarHBondContact O-N 3.05Å; Q911-Q915 WeakPolarHBondContact O-CG 3.42Å; Q911-Q915 PolarHBondContact O-N 3.24Å
912S82.5Confident81.5Confident48 Ų4868.4 Ų68.434%0.33635%0.351SS..Hα-helixtrans-61.4-46.3176.4-57.90000111.5Q908 L909 V910 N914 Q915 T916Q908-S912 PolarHBondContact O-N 2.9Å; Q908-S912 VanDerWaalsContact O-N 3.16Å; Q908-S912 PolarHBondContact O-OG 2.8Å; Q908-S912 VanDerWaalsContact O-OG 3.08Å; L909-S912 PolarHBondContact O-N 3.1Å; V910-S912 VanDerWaalsContact C-N 3.34Å; V910-S912 PolarHBondContact O-N 3.29Å; S912-N914 PolarHBondContact O-N 2.87Å; S912-Q915 WeakPolarHBondContact O-CB 3.46Å; S912-Q915 PolarHBondContact O-N 3.03Å; S912-T916 PolarHBondContact O-N 3.21Å; S912-T916 PolarHBondContact O-OG1 3.06Å
913L84.3Confident80.8Confident18 Ų1869.2 Ų69.29%0.09435%0.354CS..Hα-helixtrans-65.8-37.9-178.9-166.9148.1000112.1L270 R271 K274 L909 V910 T916 N917L270-L913 HydrophobicContact CB-CB 4.33Å; L270-L913 HydrophobicContact CB-CD1 4.08Å; L270-L913 HydrophobicContact CB-CG 4.43Å; R271-L913 HydrophobicContact CB-CD1 4.34Å; R271-L913 HydrophobicContact CG-CD1 3.58Å; K274-L913 HydrophobicContact CD-CD1 4.09Å; L909-L913 VanDerWaalsContact O-CB 3.29Å; L909-L913 WeakPolarHBondContact O-CB 3.35Å; L909-L913 PolarHBondContact O-N 2.89Å; V910-L913 PolarHBondContact O-N 3.18Å; L913-T916 PolarHBondContact O-N 2.69Å; L913-N917 WeakPolarHBondContact O-CB 3.29Å; L913-N917 PolarHBondContact O-N 3.28Å
914N82.1Confident80.1Confident87 Ų8766.2 Ų66.247%0.46534%0.344SS..Hα-helixtrans-67-38.6175.2-73.5-13.9000111.7V910 Q911 S912 S918V910-N914 WeakPolarHBondContact CG1-ND2 3.23Å; V910-N914 VanDerWaalsContact O-CB 3.3Å; V910-N914 WeakPolarHBondContact O-CB 3.4Å; V910-N914 PolarHBondContact O-N 3.4Å; V910-N914 PolarHBondContact O-ND2 3.45Å; Q911-N914 PolarHBondContact O-N 3.05Å; S912-N914 PolarHBondContact O-N 2.87Å; N914-S918 WeakPolarHBondContact O-CB 3.44Å; N914-S918 PolarHBondContact O-N 2.99Å; N914-S918 PolarHBondContact O-OG 3.48Å
915Q80Confident79.3Confident131 Ų13164 Ų6461%0.61234%0.336SS*.Hα-helixtrans-62.2-46.4174.6-74.2175.42.200110.8Q911 S912 Q919Q911-Q915 WeakPolarHBondContact O-CG 3.42Å; Q911-Q915 PolarHBondContact O-N 3.24Å; S912-Q915 WeakPolarHBondContact O-CB 3.46Å; S912-Q915 PolarHBondContact O-N 3.03Å; Q915-Q919 WeakPolarHBondContact O-CG 3.34Å; Q915-Q919 PolarHBondContact O-N 2.88Å
916T81.6Confident78.6Confident8 Ų863.6 Ų63.65%0.04933%0.334CS..Hα-helixtrans-68.5-44.1178.5-46.10000112H266 M267 S912 L913 S918 Q919 V920H266-T916 HydrophobicContact CB-CG2 4.2Å; H266-T916 PolarHBondContact CD2-OG1 3.2Å; M267-T916 HydrophobicContact CB-CG2 3.94Å; S912-T916 PolarHBondContact O-N 3.21Å; S912-T916 PolarHBondContact O-OG1 3.06Å; L913-T916 PolarHBondContact O-N 2.69Å; T916-S918 VanDerWaalsContact C-N 3.32Å; T916-S918 PolarHBondContact O-N 3.04Å; T916-Q919 WeakPolarHBondContact O-CA 3.34Å; T916-Q919 WeakPolarHBondContact O-CB 3.34Å; T916-Q919 PolarHBondContact O-N 3.2Å; T916-V920 WeakPolarHBondContact O-CG2 3.42Å; T916-V920 PolarHBondContact O-N 3.37Å
917N80Confident77.6Confident39 Ų3964.2 Ų64.221%0.20934%0.336CS..Hα-helixtrans-64.7-37.9177.9-166.872.4000111.3M267 L913 Q919 V920 D921M267-N917 HydrophobicContact SD-CB 4.2Å; M267-N917 PolarHBondContact SD-OD1 2.78Å; L913-N917 WeakPolarHBondContact O-CB 3.29Å; L913-N917 PolarHBondContact O-N 3.28Å; N917-Q919 PolarHBondContact O-N 2.97Å; N917-V920 PolarHBondContact O-N 2.9Å; N917-V920 VanDerWaalsContact O-N 3.15Å; N917-D921 PolarHBondContact ND2-OD2 3.21Å; N917-D921 WeakPolarHBondContact O-CB 3.31Å; N917-D921 VanDerWaalsContact O-CG 3.32Å; N917-D921 PolarHBondContact O-N 2.9Å
918S75.4Confident76.6Confident58 Ų5867 Ų6741%0.40634%0.339SS..Hα-helixtrans-60.8-31.5172.5-63.10000112.1N914 T916 K922N914-S918 WeakPolarHBondContact O-CB 3.44Å; N914-S918 PolarHBondContact O-N 2.99Å; N914-S918 PolarHBondContact O-OG 3.48Å; T916-S918 VanDerWaalsContact C-N 3.32Å; T916-S918 PolarHBondContact O-N 3.04Å; S918-K922 WeakPolarHBondContact O-CB 3.13Å; S918-K922 VanDerWaalsContact O-CD 3.27Å; S918-K922 WeakPolarHBondContact O-CD 3.41Å; S918-K922 WeakPolarHBondContact O-CG 3.3Å; S918-K922 PolarHBondContact O-N 3.31Å
919Q75.7Confident75.7Confident90 Ų9064.7 Ų64.742%0.42133%0.33SS..Hα-helixtrans-74.5-42.8174.5-67.9173.3-100111Q263 Q915 T916 N917 K922 L923Q263-Q919 HydrophobicContact CG-CB 4.22Å; Q263-Q919 VanDerWaalsContact NE2-OE1 3.12Å; Q263-Q919 VanDerWaalsContact OE1-OE1 3.05Å; Q915-Q919 WeakPolarHBondContact O-CG 3.34Å; Q915-Q919 PolarHBondContact O-N 2.88Å; T916-Q919 WeakPolarHBondContact O-CA 3.34Å; T916-Q919 WeakPolarHBondContact O-CB 3.34Å; T916-Q919 PolarHBondContact O-N 3.2Å; N917-Q919 PolarHBondContact O-N 2.97Å; Q919-K922 PolarHBondContact O-N 2.74Å; Q919-L923 WeakPolarHBondContact O-CB 3.35Å; Q919-L923 WeakPolarHBondContact O-CD1 3.5Å; Q919-L923 WeakPolarHBondContact O-CG 3.48Å; Q919-L923 PolarHBondContact O-N 3.08Å; Q919-L923 VanDerWaalsContact O-N 3.12Å
920V78.8Confident74.6Confident7 Ų764.9 Ų64.94%0.04233%0.33CS..Hα-helixtrans-60.5-48.8175.3175.20000111.4L260 Q263 K264 M267 T916 N917 K922 L923 S924L260-V920 HydrophobicContact CD1-CB 4.44Å; L260-V920 HydrophobicContact CD1-CG1 3.73Å; L260-V920 WeakPolarHBondContact CD1-O 3.47Å; Q263-V920 HydrophobicContact CB-CG2 3.49Å; Q263-V920 VanDerWaalsContact CB-CG2 3.49Å; K264-V920 HydrophobicContact CG-CG1 4.18Å; M267-V920 HydrophobicContact CE-CB 4.42Å; M267-V920 HydrophobicContact CE-CG1 4.07Å; M267-V920 HydrophobicContact CE-CG2 3.92Å; M267-V920 HydrophobicContact SD-CG2 4.28Å; T916-V920 WeakPolarHBondContact O-CG2 3.42Å; T916-V920 PolarHBondContact O-N 3.37Å; N917-V920 PolarHBondContact O-N 2.9Å; N917-V920 VanDerWaalsContact O-N 3.15Å; V920-K922 PolarHBondContact O-N 3.01Å; V920-L923 PolarHBondContact O-N 3.26Å; V920-S924 WeakPolarHBondContact O-CB 3.44Å; V920-S924 PolarHBondContact O-N 3.23Å; V920-S924 PolarHBondContact O-OG 3.16Å
921D72.3Confident73.5Confident79 Ų7965.3 Ų65.342%0.42233%0.332SS..Hα-helixtrans-64.7-40.4-178.6-71.7-18.4000111.4N917 L923 S924 H925N917-D921 PolarHBondContact ND2-OD2 3.21Å; N917-D921 WeakPolarHBondContact O-CB 3.31Å; N917-D921 VanDerWaalsContact O-CG 3.32Å; N917-D921 PolarHBondContact O-N 2.9Å; D921-L923 VanDerWaalsContact C-N 3.28Å; D921-L923 PolarHBondContact O-N 2.84Å; D921-S924 WeakPolarHBondContact CA-OG 3.47Å; D921-S924 PolarHBondContact O-OG 3.33Å; D921-H925 WeakPolarHBondContact O-CA 3.42Å; D921-H925 WeakPolarHBondContact O-CB 3.2Å; D921-H925 PolarHBondContact O-N 3.36Å
922K73.9Confident72.5Confident136 Ų13663.2 Ų63.259%0.59132%0.321SS*.Hα-helixtrans-58-45.8173.8-78.8170.7-172.6-179.20110.8S918 Q919 V920 Q926S918-K922 WeakPolarHBondContact O-CB 3.13Å; S918-K922 VanDerWaalsContact O-CD 3.27Å; S918-K922 WeakPolarHBondContact O-CD 3.41Å; S918-K922 WeakPolarHBondContact O-CG 3.3Å; S918-K922 PolarHBondContact O-N 3.31Å; Q919-K922 PolarHBondContact O-N 2.74Å; V920-K922 PolarHBondContact O-N 3.01Å; K922-Q926 VanDerWaalsContact O-CB 3.25Å; K922-Q926 WeakPolarHBondContact O-CB 3.27Å; K922-Q926 VanDerWaalsContact O-CD 3.27Å; K922-Q926 WeakPolarHBondContact O-CG 3.26Å; K922-Q926 PolarHBondContact O-N 3.42Å; K922-Q926 PolarHBondContact O-OE1 3.11Å
923L73.1Confident71.5Confident26 Ų2664.9 Ų64.914%0.13632%0.324CS..Hα-helixtrans-73.4-40.7-177.3-67.2166.8000112.2L256 S259 L260 Q263 Q919 V920 D921 I927L256-L923 HydrophobicContact CD2-CD2 4.03Å; L256-L923 WeakPolarHBondContact CD2-O 3.35Å; S259-L923 WeakPolarHBondContact OG-CD1 3.46Å; L260-L923 HydrophobicContact CB-CB 4.2Å; L260-L923 HydrophobicContact CD1-CB 3.94Å; Q263-L923 HydrophobicContact CG-CD1 4.2Å; Q919-L923 WeakPolarHBondContact O-CB 3.35Å; Q919-L923 WeakPolarHBondContact O-CD1 3.5Å; Q919-L923 WeakPolarHBondContact O-CG 3.48Å; Q919-L923 PolarHBondContact O-N 3.08Å; Q919-L923 VanDerWaalsContact O-N 3.12Å; V920-L923 PolarHBondContact O-N 3.26Å; D921-L923 VanDerWaalsContact C-N 3.28Å; D921-L923 PolarHBondContact O-N 2.84Å; L923-I927 WeakPolarHBondContact O-CD1 3.34Å; L923-I927 VanDerWaalsContact O-CG1 3.26Å; L923-I927 WeakPolarHBondContact O-CG1 3.48Å; L923-I927 PolarHBondContact O-N 3.27Å
924S70.4Confident70.3Confident35 Ų3566.2 Ų66.225%0.24534%0.335CS..Hα-helixtrans-70.8-42.2178.764.90000111.7V920 D921 Q926 I927 E928V920-S924 WeakPolarHBondContact O-CB 3.44Å; V920-S924 PolarHBondContact O-N 3.23Å; V920-S924 PolarHBondContact O-OG 3.16Å; D921-S924 WeakPolarHBondContact CA-OG 3.47Å; D921-S924 PolarHBondContact O-OG 3.33Å; S924-Q926 VanDerWaalsContact C-N 3.32Å; S924-Q926 PolarHBondContact O-N 3.21Å; S924-I927 PolarHBondContact O-N 3.31Å; S924-I927 VanDerWaalsContact O-N 3.14Å; S924-E928 WeakPolarHBondContact O-CB 3.46Å; S924-E928 PolarHBondContact O-N 3.31Å
925H68.2Low69.2Low108 Ų10869.2 Ų69.250%0.535%0.346SS..Hα-helixtrans-63.4-41.6175.7-175.155.3000110.6D921 I927 E928 M929D921-H925 WeakPolarHBondContact O-CA 3.42Å; D921-H925 WeakPolarHBondContact O-CB 3.2Å; D921-H925 PolarHBondContact O-N 3.36Å; H925-I927 VanDerWaalsContact C-N 3.25Å; H925-I927 PolarHBondContact O-N 3.4Å; H925-E928 PolarHBondContact O-N 3.11Å; H925-M929 WeakPolarHBondContact CE1-CG 3.49Å; H925-M929 PolarHBondContact CE1-SD 3.49Å; H925-M929 VanDerWaalsContact ND1-CG 3.32Å; H925-M929 WeakPolarHBondContact ND1-CG 3.35Å; H925-M929 WeakPolarHBondContact O-CA 3.43Å; H925-M929 WeakPolarHBondContact O-CB 3.08Å; H925-M929 WeakPolarHBondContact O-CG 3.1Å; H925-M929 PolarHBondContact O-N 2.92Å
926Q67.4Low68.4Low97 Ų9765.8 Ų65.845%0.45333%0.33SS..Hα-helixtrans-61.4-33.5175.2-78169.4-20.800112.3L256 K922 S924 Q930L256-Q926 HydrophobicContact CD1-CB 3.93Å; L256-Q926 HydrophobicContact CD2-CB 3.23Å; L256-Q926 HydrophobicContact CD2-CG 4.2Å; L256-Q926 VanDerWaalsContact CD2-OE1 3.29Å; L256-Q926 HydrophobicContact CG-CB 4.22Å; K922-Q926 VanDerWaalsContact O-CB 3.25Å; K922-Q926 WeakPolarHBondContact O-CB 3.27Å; K922-Q926 VanDerWaalsContact O-CD 3.27Å; K922-Q926 WeakPolarHBondContact O-CG 3.26Å; K922-Q926 PolarHBondContact O-N 3.42Å; K922-Q926 PolarHBondContact O-OE1 3.11Å; S924-Q926 VanDerWaalsContact C-N 3.32Å; S924-Q926 PolarHBondContact O-N 3.21Å; Q926-Q930 WeakPolarHBondContact O-CG 3.18Å; Q926-Q930 PolarHBondContact O-N 2.89Å
927I65.4Low67.5Low23 Ų2365.5 Ų65.512%0.11833%0.328CS..Hα-helixtrans-76.1-47.8175.8-64.5159.9000111.8L253 L256 E257 L260 L923 S924 H925 Q930 T931L253-I927 HydrophobicContact CD2-CG2 4.31Å; L256-I927 HydrophobicContact CB-CD1 4.07Å; L256-I927 HydrophobicContact CB-CG1 3.49Å; L256-I927 VanDerWaalsContact CB-CG1 3.49Å; L256-I927 HydrophobicContact CD2-CG1 4.18Å; L256-I927 HydrophobicContact CG-CG1 4.39Å; E257-I927 HydrophobicContact CB-CD1 4.44Å; E257-I927 HydrophobicContact CG-CD1 4.01Å; E257-I927 HydrophobicContact CG-CG1 4.36Å; E257-I927 HydrophobicContact CG-CG2 4.35Å; L260-I927 HydrophobicContact CB-CD1 4.15Å; L260-I927 HydrophobicContact CD2-CD1 3.72Å; L923-I927 WeakPolarHBondContact O-CD1 3.34Å; L923-I927 VanDerWaalsContact O-CG1 3.26Å; L923-I927 WeakPolarHBondContact O-CG1 3.48Å; L923-I927 PolarHBondContact O-N 3.27Å; S924-I927 PolarHBondContact O-N 3.31Å; S924-I927 VanDerWaalsContact O-N 3.14Å; H925-I927 VanDerWaalsContact C-N 3.25Å; H925-I927 PolarHBondContact O-N 3.4Å; I927-Q930 PolarHBondContact O-N 3.22Å; I927-T931 WeakPolarHBondContact O-CG2 3.21Å; I927-T931 PolarHBondContact O-N 2.96Å; I927-T931 PolarHBondContact O-OG1 3.13Å
928E63Low66.7Low92 Ų9267 Ų6743%0.4334%0.336SS..Hα-helixtrans-67.1-41.8-177.8-173.9178.6179.500111S924 H925 Q930 T931 K932S924-E928 WeakPolarHBondContact O-CB 3.46Å; S924-E928 PolarHBondContact O-N 3.31Å; H925-E928 PolarHBondContact O-N 3.11Å; E928-Q930 VanDerWaalsContact C-N 3.34Å; E928-Q930 PolarHBondContact O-N 3.04Å; E928-T931 VanDerWaalsContact CA-OG1 3.3Å; E928-T931 WeakPolarHBondContact CA-OG1 3.31Å; E928-T931 PolarHBondContact O-N 3.45Å; E928-T931 PolarHBondContact O-OG1 3.44Å; E928-K932 HydrophobicContact CG-CD 4Å; E928-K932 WeakPolarHBondContact O-CB 3.49Å; E928-K932 PolarHBondContact O-N 3.38Å; E928-K932 IonicContact OE1-NZ 2.59Å; E928-K932 PolarHBondContact OE1-NZ 2.89Å
929M64.3Low66.3Low67 Ų6767.3 Ų67.333%0.3334%0.339SS..Hα-helixtrans-59-48176.4-76-59.1-5500110.6H925 T931 E933H925-M929 WeakPolarHBondContact CE1-CG 3.49Å; H925-M929 PolarHBondContact CE1-SD 3.49Å; H925-M929 VanDerWaalsContact ND1-CG 3.32Å; H925-M929 WeakPolarHBondContact ND1-CG 3.35Å; H925-M929 WeakPolarHBondContact O-CA 3.43Å; H925-M929 WeakPolarHBondContact O-CB 3.08Å; H925-M929 WeakPolarHBondContact O-CG 3.1Å; H925-M929 PolarHBondContact O-N 2.92Å; M929-T931 VanDerWaalsContact C-N 3.33Å; M929-T931 PolarHBondContact O-N 3.17Å; M929-E933 VanDerWaalsContact CE-CD 3.46Å; M929-E933 HydrophobicContact CE-CG 3.71Å; M929-E933 WeakPolarHBondContact CE-OE1 3.44Å; M929-E933 WeakPolarHBondContact O-CB 3.32Å; M929-E933 WeakPolarHBondContact O-CG 3.5Å; M929-E933 PolarHBondContact O-N 2.96Å
930Q63Low66Low37 Ų3766.5 Ų66.517%0.17333%0.333CS..Hα-helixtrans-69.5-31-178.5-71-150.1-5.900113.7T249 D252 L253 Q926 I927 E928T249-Q930 HydrophobicContact CG2-CB 4.01Å; T249-Q930 HydrophobicContact CG2-CG 4.22Å; T249-Q930 WeakPolarHBondContact CG2-O 3.46Å; D252-Q930 VanDerWaalsContact CB-OE1 3.27Å; D252-Q930 PolarHBondContact OD2-NE2 3.33Å; L253-Q930 HydrophobicContact CD1-CB 3.89Å; L253-Q930 HydrophobicContact CG-CB 4.41Å; Q926-Q930 WeakPolarHBondContact O-CG 3.18Å; Q926-Q930 PolarHBondContact O-N 2.89Å; I927-Q930 PolarHBondContact O-N 3.22Å; E928-Q930 VanDerWaalsContact C-N 3.34Å; E928-Q930 PolarHBondContact O-N 3.04Å
931T61.3Low65.5Low55 Ų5567.7 Ų67.734%0.33734%0.339SS..Hα-helixtrans-75.3-50.3176.143.70000112.4L253 I927 E928 M929 S934L253-T931 HydrophobicContact CD1-CG2 3.5Å; L253-T931 VanDerWaalsContact CD1-CG2 3.5Å; L253-T931 HydrophobicContact CD2-CG2 3.47Å; L253-T931 VanDerWaalsContact CD2-CG2 3.47Å; L253-T931 HydrophobicContact CG-CG2 3.92Å; I927-T931 WeakPolarHBondContact O-CG2 3.21Å; I927-T931 PolarHBondContact O-N 2.96Å; I927-T931 PolarHBondContact O-OG1 3.13Å; E928-T931 VanDerWaalsContact CA-OG1 3.3Å; E928-T931 WeakPolarHBondContact CA-OG1 3.31Å; E928-T931 PolarHBondContact O-N 3.45Å; E928-T931 PolarHBondContact O-OG1 3.44Å; M929-T931 VanDerWaalsContact C-N 3.33Å; M929-T931 PolarHBondContact O-N 3.17Å; T931-S934 PolarHBondContact O-N 3.43Å
932K60.9Low65.4Low86 Ų8670.8 Ų70.837%0.37435%0.351SS..Hα-helixtrans-70.5-38.6178.7-92.8177170.5166.90113.6E928 S934 E935 E936E928-K932 HydrophobicContact CG-CD 4Å; E928-K932 WeakPolarHBondContact O-CB 3.49Å; E928-K932 PolarHBondContact O-N 3.38Å; E928-K932 IonicContact OE1-NZ 2.59Å; E928-K932 PolarHBondContact OE1-NZ 2.89Å; K932-S934 PolarHBondContact O-N 2.94Å; K932-S934 VanDerWaalsContact O-N 3.13Å; K932-E935 PolarHBondContact O-N 2.99Å; K932-E935 VanDerWaalsContact O-N 3.15Å; K932-E936 HydrophobicContact CB-CG 4.12Å; K932-E936 VanDerWaalsContact CD-OE1 3.27Å; K932-E936 WeakPolarHBondContact CD-OE1 3.5Å; K932-E936 WeakPolarHBondContact CE-OE1 3.44Å; K932-E936 HydrophobicContact CG-CG 4.18Å; K932-E936 WeakPolarHBondContact O-CA 3.46Å; K932-E936 WeakPolarHBondContact O-CB 3.47Å; K932-E936 WeakPolarHBondContact O-CG 3.4Å; K932-E936 PolarHBondContact O-N 3.4Å
933E60.5Low65.4Low84 Ų8471.8 Ų71.839%0.39335%0.351SS..Hα-helixtrans-57.3-31178.4-80.9179.4156.800111.5T249 M929 A937T249-E933 HydrophobicContact CG2-CB 4.36Å; M929-E933 VanDerWaalsContact CE-CD 3.46Å; M929-E933 HydrophobicContact CE-CG 3.71Å; M929-E933 WeakPolarHBondContact CE-OE1 3.44Å; M929-E933 WeakPolarHBondContact O-CB 3.32Å; M929-E933 WeakPolarHBondContact O-CG 3.5Å; M929-E933 PolarHBondContact O-N 2.96Å; E933-A937 WeakPolarHBondContact O-CB 3.39Å; E933-A937 PolarHBondContact O-N 2.91Å
934S59Low65.6Low46 Ų4671.9 Ų71.932%0.32235%0.351SS..Hα-helixtrans-74.4-40.6176.8-168.20000113.6T931 K932T931-S934 PolarHBondContact O-N 3.43Å; K932-S934 PolarHBondContact O-N 2.94Å; K932-S934 VanDerWaalsContact O-N 3.13Å
935E59.5Low65.8Low149 Ų14972.7 Ų72.770%0.69635%0.353SS*.Hα-helixtrans-88.2-35.3-176-65.7-178.916900112.9K932 S939K932-E935 PolarHBondContact O-N 2.99Å; K932-E935 VanDerWaalsContact O-N 3.15Å; E935-S939 PolarHBondContact O-N 3.37Å; E935-S939 PolarHBondContact O-OG 2.96Å
936E63.7Low66.1Low60 Ų6075.1 Ų75.128%0.2836%0.364SS..Hα-helixtrans-76.3-29178.3-65.9-173.7166.100112.3K932 D938 S939 K940K932-E936 HydrophobicContact CB-CG 4.12Å; K932-E936 VanDerWaalsContact CD-OE1 3.27Å; K932-E936 WeakPolarHBondContact CD-OE1 3.5Å; K932-E936 WeakPolarHBondContact CE-OE1 3.44Å; K932-E936 HydrophobicContact CG-CG 4.18Å; K932-E936 WeakPolarHBondContact O-CA 3.46Å; K932-E936 WeakPolarHBondContact O-CB 3.47Å; K932-E936 WeakPolarHBondContact O-CG 3.4Å; K932-E936 PolarHBondContact O-N 3.4Å; E936-D938 VanDerWaalsContact C-N 3.27Å; E936-D938 PolarHBondContact O-N 3.32Å; E936-S939 WeakPolarHBondContact CA-OG 3.34Å; E936-S939 PolarHBondContact O-OG 3.49Å; E936-K940 HydrophobicContact CB-CD 4.09Å; E936-K940 HydrophobicContact CB-CG 4.49Å; E936-K940 WeakPolarHBondContact O-CB 3.5Å; E936-K940 WeakPolarHBondContact O-CD 3.49Å; E936-K940 WeakPolarHBondContact O-CG 3.38Å; E936-K940 PolarHBondContact O-N 3.26Å; E936-K940 WeakPolarHBondContact OE2-CE 3.49Å; E936-K940 IonicContact OE2-NZ 2.69Å; E936-K940 PolarHBondContact OE2-NZ 3.41Å
937A62.1Low66.6Low2 Ų275.2 Ų75.22%0.01737%0.372CS..Hα-helixtrans-57.3-44.2174.200000111.3L242 E933 M941L242-A937 HydrophobicContact CD2-CB 4.39Å; E933-A937 WeakPolarHBondContact O-CB 3.39Å; E933-A937 PolarHBondContact O-N 2.91Å; A937-M941 WeakPolarHBondContact O-CG 3.23Å; A937-M941 PolarHBondContact O-N 3.29Å
938D62.4Low67.3Low69 Ų6975.5 Ų75.537%0.36937%0.374SS..Hα-helixtrans-68.5-50.6-179.2-83.4-6.4000112.5K246 E936K246-D938 WeakPolarHBondContact CD-OD1 3.04Å; K246-D938 WeakPolarHBondContact CE-OD1 3.47Å; K246-D938 VanDerWaalsContact NZ-CG 3.28Å; K246-D938 IonicContact NZ-OD1 2.63Å; K246-D938 PolarHBondContact NZ-OD1 3.48Å; K246-D938 IonicContact NZ-OD2 3.23Å; K246-D938 PolarHBondContact NZ-OD2 2.87Å; E936-D938 VanDerWaalsContact C-N 3.27Å; E936-D938 PolarHBondContact O-N 3.32Å
939S67.2Low67.9Low66 Ų6675.3 Ų75.346%0.46238%0.38SS..Hα-helixtrans-70.4-35.2-178.353.40000114E935 E936 R943E935-S939 PolarHBondContact O-N 3.37Å; E935-S939 PolarHBondContact O-OG 2.96Å; E936-S939 WeakPolarHBondContact CA-OG 3.34Å; E936-S939 PolarHBondContact O-OG 3.49Å; S939-R943 PolarHBondContact O-N 3.38Å
940K69.5Low68.8Low72 Ų7273.9 Ų73.931%0.31337%0.371SS..Hα-helixtrans-71.6-33.9179-71.6172.7-178.1164.10112.1L242 E936 R943 L944L242-K940 HydrophobicContact CD1-CB 3.64Å; L242-K940 HydrophobicContact CD2-CB 4.1Å; L242-K940 HydrophobicContact CD2-CD 4.02Å; E936-K940 HydrophobicContact CB-CD 4.09Å; E936-K940 HydrophobicContact CB-CG 4.49Å; E936-K940 WeakPolarHBondContact O-CB 3.5Å; E936-K940 WeakPolarHBondContact O-CD 3.49Å; E936-K940 WeakPolarHBondContact O-CG 3.38Å; E936-K940 PolarHBondContact O-N 3.26Å; E936-K940 WeakPolarHBondContact OE2-CE 3.49Å; E936-K940 IonicContact OE2-NZ 2.69Å; E936-K940 PolarHBondContact OE2-NZ 3.41Å; K940-R943 PolarHBondContact O-N 2.66Å; K940-L944 WeakPolarHBondContact O-CB 3.37Å; K940-L944 WeakPolarHBondContact O-CG 3.29Å; K940-L944 PolarHBondContact O-N 3.37Å
941M67.8Low69.6Low32 Ų3272.1 Ų72.116%0.15836%0.363CS..Hα-helixtrans-60.9-45.6175.2-81.7-173.673.200111.3Y239 L242 E243 A937 L944 L945Y239-M941 HydrophobicContact CE2-CE 4.38Å; L242-M941 HydrophobicContact CB-CG 3.51Å; L242-M941 HydrophobicContact CB-SD 4.12Å; L242-M941 HydrophobicContact CD1-CG 4.21Å; L242-M941 HydrophobicContact CG-CG 4.49Å; E243-M941 HydrophobicContact CB-CE 4.09Å; E243-M941 HydrophobicContact CB-SD 4.28Å; E243-M941 HydrophobicContact CG-CE 4.35Å; A937-M941 WeakPolarHBondContact O-CG 3.23Å; A937-M941 PolarHBondContact O-N 3.29Å; M941-L944 PolarHBondContact O-N 2.91Å; M941-L945 WeakPolarHBondContact O-CG 3.07Å; M941-L945 PolarHBondContact O-N 3.29Å
942E71.7Confident70.2Confident144 Ų14476 Ų7667%0.67338%0.377SS*.Hα-helixtrans-61.6-47.6178-70.6-177.416700111.7L944 L945 E946E942-L944 PolarHBondContact O-N 3.18Å; E942-L945 WeakPolarHBondContact O-CB 3.26Å; E942-L945 PolarHBondContact O-N 3.29Å; E942-E946 PolarHBondContact O-N 2.81Å
943R73.8Confident71Confident158 Ų15879.5 Ų79.560%0.59640%0.395SS*.Hα-helixtrans-65.3-37-179.2-170179.368.7169.30.9113.9S939 K940 L945 E946 T947S939-R943 PolarHBondContact O-N 3.38Å; K940-R943 PolarHBondContact O-N 2.66Å; R943-L945 VanDerWaalsContact C-N 3.26Å; R943-L945 PolarHBondContact O-N 2.98Å; R943-E946 PolarHBondContact O-N 3.15Å; R943-T947 PolarHBondContact O-N 2.49Å; R943-T947 VanDerWaalsContact O-N 3.09Å; R943-T947 PolarHBondContact O-OG1 2.94Å; R943-T947 VanDerWaalsContact O-OG1 3.06Å
944L77.2Confident72.1Confident27 Ų2777.7 Ų77.714%0.14139%0.386CS..Hα-helixtrans-61.6-38.8177.7-80.5176.7000111.1V235 D238 Y239 L242 K940 M941 E942 N948 I951V235-L944 HydrophobicContact CG1-CD2 4.37Å; D238-L944 HydrophobicContact CB-CD1 4.1Å; Y239-L944 HydrophobicContact CD2-CB 4.45Å; L242-L944 HydrophobicContact CD1-CD1 3.69Å; K940-L944 WeakPolarHBondContact O-CB 3.37Å; K940-L944 WeakPolarHBondContact O-CG 3.29Å; K940-L944 PolarHBondContact O-N 3.37Å; M941-L944 PolarHBondContact O-N 2.91Å; E942-L944 PolarHBondContact O-N 3.18Å; L944-N948 PolarHBondContact O-N 2.98Å; L944-I951 HydrophobicContact CB-CD1 4.33Å; L944-I951 WeakPolarHBondContact O-CD1 3.33Å
945L73.9Confident72.9Confident52 Ų5279.5 Ų79.527%0.27239%0.388SS..Hα-helixtrans-65.7-38.5177.5-67.8163.9000112.1Y239 M941 E942 R943 I951Y239-L945 HydrophobicContact CD2-CD2 4.42Å; Y239-L945 HydrophobicContact CE2-CD1 4.11Å; Y239-L945 HydrophobicContact CE2-CD2 3.56Å; Y239-L945 HydrophobicContact CE2-CG 3.75Å; M941-L945 WeakPolarHBondContact O-CG 3.07Å; M941-L945 PolarHBondContact O-N 3.29Å; E942-L945 WeakPolarHBondContact O-CB 3.26Å; E942-L945 PolarHBondContact O-N 3.29Å; R943-L945 VanDerWaalsContact C-N 3.26Å; R943-L945 PolarHBondContact O-N 2.98Å; L945-I951 HydrophobicContact CD2-CG2 4.03Å
946E75.3Confident73.7Confident160 Ų16080.7 Ų80.775%0.74839%0.394SS*.Hα-helixtrans-69.2-44.3176.9-71.5-174.5157.900113.4E942 R943E942-E946 PolarHBondContact O-N 2.81Å; R943-E946 PolarHBondContact O-N 3.15Å
947T76Confident74.5Confident98 Ų9881.6 Ų81.660%0.60140%0.4SS*.Hα-helixtrans-78.8-24.2-170.5-520000112.8R943 P949R943-T947 PolarHBondContact O-N 2.49Å; R943-T947 VanDerWaalsContact O-N 3.09Å; R943-T947 PolarHBondContact O-OG1 2.94Å; R943-T947 VanDerWaalsContact O-OG1 3.06Å; T947-P949 WeakPolarHBondContact O-CD 3.44Å
948N81.1Confident75.5Confident30 Ų3082.7 Ų82.716%0.1641%0.405CS..  trans-126.277-173.4-64.7-80.2000110V235 L944 W950 I951V235-N948 HydrophobicContact CG1-CB 4.15Å; L944-N948 PolarHBondContact O-N 2.98Å; N948-W950 HydrophobicContact CB-CZ2 4.48Å; N948-W950 PolarHBondContact O-N 3.1Å; N948-W950 VanDerWaalsContact O-N 3.09Å; N948-W950 PolarHBondContact OD1-NE1 3.48Å; N948-I951 HydrophobicContact CB-CD1 3.56Å; N948-I951 HydrophobicContact CB-CG1 3.69Å; N948-I951 VanDerWaalsContact O-CB 3.28Å; N948-I951 WeakPolarHBondContact O-CB 3.34Å; N948-I951 WeakPolarHBondContact O-CG1 3.37Å; N948-I951 PolarHBondContact O-N 3.32Å
949P75.7Confident76Confident88 Ų8881.3 Ų81.357%0.57141%0.406SS*.THydrogen-bonded Turntrans-56.9-31.1-177.2-24.633.2000113.1T947 I951 H952T947-P949 WeakPolarHBondContact O-CD 3.44Å; P949-I951 PolarHBondContact O-N 2.92Å; P949-I951 VanDerWaalsContact O-N 3.09Å; P949-H952 PolarHBondContact O-N 3.06Å
950W82.1Confident76.3Confident36 Ų3682 Ų8214%0.13640%0.404CS..Hα-helixtrans-58.5-20.4175.668.2-94.4000113.3K232 V235 A236 N948 H952 E953 E954 F958 Y965K232-W950 HydrophobicContact CB-CH2 4.2Å; K232-W950 HydrophobicContact CB-CZ2 4.18Å; K232-W950 HydrophobicContact CG-CZ2 4.17Å; K232-W950 WeakPolarHBondContact O-CH2 3.19Å; V235-W950 HydrophobicContact CB-CH2 4.25Å; V235-W950 HydrophobicContact CB-CZ2 3.82Å; V235-W950 HydrophobicContact CG1-CH2 4.02Å; V235-W950 HydrophobicContact CG1-CZ2 3.51Å; A236-W950 HydrophobicContact CB-CH2 4.44Å; N948-W950 HydrophobicContact CB-CZ2 4.48Å; N948-W950 PolarHBondContact O-N 3.1Å; N948-W950 VanDerWaalsContact O-N 3.09Å; N948-W950 PolarHBondContact OD1-NE1 3.48Å; W950-H952 VanDerWaalsContact C-N 3.26Å; W950-H952 PolarHBondContact O-N 2.92Å; W950-E953 PolarHBondContact O-N 3.48Å; W950-E953 VanDerWaalsContact O-N 3.16Å; W950-E954 HydrophobicContact CE3-CB 4.04Å; W950-E954 HydrophobicContact CE3-CG 4.28Å; W950-E954 HydrophobicContact CZ3-CB 4.3Å; W950-E954 PolarHBondContact O-N 3.01Å; W950-F958 HydrophobicContact CH2-CE1 4.34Å; W950-F958 AromaticContact CH2-CZ 3.99Å; W950-F958 HydrophobicContact CH2-CZ 3.99Å; W950-F958 AromaticContact CZ3-CE1 3.75Å; W950-F958 HydrophobicContact CZ3-CE1 3.75Å; W950-F958 AromaticContact CZ3-CZ 3.63Å; W950-F958 HydrophobicContact CZ3-CZ 3.63Å; W950-Y965 HydrophobicContact CH2-CE1 4.48Å; W950-Y965 HydrophobicContact CZ3-CE1 4.39Å; W950-Y965 HydrophobicContact CZ3-CE2 4.37Å; W950-Y965 AromaticContact CZ3-CZ 3.86Å
951I79.8Confident76.4Confident0 Ų085.8 Ų85.80%042%0.423CS..Hα-helixtrans-59.1-38.7172.3-66.2176.1000110.3V235 Y239 L944 L945 N948 P949 E953 E954 K955 F958V235-I951 HydrophobicContact CG1-CD1 3.62Å; V235-I951 HydrophobicContact CG1-CG1 4.09Å; Y239-I951 HydrophobicContact CD2-CG2 4.47Å; L944-I951 HydrophobicContact CB-CD1 4.33Å; L944-I951 WeakPolarHBondContact O-CD1 3.33Å; L945-I951 HydrophobicContact CD2-CG2 4.03Å; N948-I951 HydrophobicContact CB-CD1 3.56Å; N948-I951 HydrophobicContact CB-CG1 3.69Å; N948-I951 VanDerWaalsContact O-CB 3.28Å; N948-I951 WeakPolarHBondContact O-CB 3.34Å; N948-I951 WeakPolarHBondContact O-CG1 3.37Å; N948-I951 PolarHBondContact O-N 3.32Å; P949-I951 PolarHBondContact O-N 2.92Å; P949-I951 VanDerWaalsContact O-N 3.09Å; I951-E953 PolarHBondContact O-N 3.23Å; I951-E954 PolarHBondContact O-N 3.12Å; I951-K955 HydrophobicContact CG2-CB 4.22Å; I951-K955 WeakPolarHBondContact O-CA 3.45Å; I951-K955 WeakPolarHBondContact O-CB 3.22Å; I951-K955 PolarHBondContact O-N 3.47Å; I951-F958 HydrophobicContact CB-CZ 4.46Å; I951-F958 HydrophobicContact CG1-CE2 4.43Å; I951-F958 HydrophobicContact CG1-CZ 4.2Å; I951-F958 HydrophobicContact CG2-CE2 3.94Å; I951-F958 HydrophobicContact CG2-CZ 4.21Å
952H75.4Confident76.7Confident137 Ų13791.9 Ų91.963%0.63446%0.456SS*.Hα-helixtrans-63.3-33.9178.4-78.418.1000112.6P949 W950P949-H952 PolarHBondContact O-N 3.06Å; W950-H952 VanDerWaalsContact C-N 3.26Å; W950-H952 PolarHBondContact O-N 2.92Å
953E77.9Confident77Confident159 Ų15986.4 Ų86.474%0.74344%0.438SS*.Hα-helixtrans-79-37.9-179.6-60.8175.7177.800111.6W950 I951W950-E953 PolarHBondContact O-N 3.48Å; W950-E953 VanDerWaalsContact O-N 3.16Å; I951-E953 PolarHBondContact O-N 3.23Å
954E82.3Confident77.1Confident47 Ų4783.8 Ų83.822%0.2244%0.44CS..Hα-helixtrans-109.4-4-169.5-61.2-175.5-168.200114.4W950 I951 Q956 L957 F958 Y965W950-E954 HydrophobicContact CE3-CB 4.04Å; W950-E954 HydrophobicContact CE3-CG 4.28Å; W950-E954 HydrophobicContact CZ3-CB 4.3Å; W950-E954 PolarHBondContact O-N 3.01Å; I951-E954 PolarHBondContact O-N 3.12Å; E954-Q956 PolarHBondContact O-N 2.98Å; E954-L957 HydrophobicContact CB-CD1 4.22Å; E954-L957 HydrophobicContact CG-CD1 4.35Å; E954-L957 WeakPolarHBondContact O-CA 3.34Å; E954-L957 VanDerWaalsContact O-CB 3.25Å; E954-L957 WeakPolarHBondContact O-CB 3.4Å; E954-L957 PolarHBondContact O-N 3.3Å; E954-F958 HydrophobicContact CB-CE1 4.19Å; E954-F958 WeakPolarHBondContact O-CD1 3.43Å; E954-F958 WeakPolarHBondContact O-CE1 3.4Å; E954-Y965 HydrophobicContact CB-CE2 4.29Å; E954-Y965 WeakPolarHBondContact OE2-CE2 3.23Å; E954-Y965 PolarHBondContact OE2-OH 2.91Å
955K75.3Confident77.3Confident83 Ų8383.1 Ų83.136%0.36144%0.435SS..G310 helixtrans-53.2-32.1-178.1171174.1173.91720112.8Y239 I951 L957 F958Y239-K955 HydrophobicContact CE1-CD 3.66Å; Y239-K955 VanDerWaalsContact CE1-CE 3.45Å; Y239-K955 HydrophobicContact CE1-CG 4.28Å; Y239-K955 PolarHBondContact OH-NZ 3.1Å; I951-K955 HydrophobicContact CG2-CB 4.22Å; I951-K955 WeakPolarHBondContact O-CA 3.45Å; I951-K955 WeakPolarHBondContact O-CB 3.22Å; I951-K955 PolarHBondContact O-N 3.47Å; K955-L957 PolarHBondContact O-N 3.02Å; K955-F958 HydrophobicContact CB-CE2 4.43Å; K955-F958 WeakPolarHBondContact O-CB 3.4Å; K955-F958 PolarHBondContact O-N 2.9Å
956Q76.5Confident77.6Confident174 Ų17480.8 Ų80.881%0.81342%0.423SS*.G310 helixtrans-65-21.5177.4-55.8-168.610.800112.8E954 I960E954-Q956 PolarHBondContact O-N 2.98Å; Q956-I960 VanDerWaalsContact O-CD1 3.23Å; Q956-I960 WeakPolarHBondContact O-CD1 3.34Å
957L80.6Confident77.9Confident80 Ų8074.9 Ų74.942%0.41940%0.395SS..G310 helixtrans-86.6-7.3179.2-55.6174.6000113.3E954 K955 G959 I960 Y965E954-L957 HydrophobicContact CB-CD1 4.22Å; E954-L957 HydrophobicContact CG-CD1 4.35Å; E954-L957 WeakPolarHBondContact O-CA 3.34Å; E954-L957 VanDerWaalsContact O-CB 3.25Å; E954-L957 WeakPolarHBondContact O-CB 3.4Å; E954-L957 PolarHBondContact O-N 3.3Å; K955-L957 PolarHBondContact O-N 3.02Å; L957-G959 PolarHBondContact O-N 3.25Å; L957-I960 HydrophobicContact CD2-CD1 4.25Å; L957-Y965 HydrophobicContact CB-CD2 3.99Å
958F83.1Confident77.9Confident25 Ų2575.8 Ų75.811%0.1140%0.401CS..BIsolated β-bridgetrans-75125.1-173.5-66.32.6000110.2A236 Y239 W950 I951 E954 K955 I960 Y965 F967A236-F958 HydrophobicContact CB-CD1 3.59Å; A236-F958 HydrophobicContact CB-CD2 3.93Å; A236-F958 HydrophobicContact CB-CE1 3.49Å; A236-F958 VanDerWaalsContact CB-CE1 3.49Å; A236-F958 HydrophobicContact CB-CE2 3.83Å; A236-F958 HydrophobicContact CB-CG 3.83Å; A236-F958 HydrophobicContact CB-CZ 3.61Å; Y239-F958 HydrophobicContact CD1-CD2 4.29Å; Y239-F958 HydrophobicContact CD1-CE2 4.4Å; W950-F958 HydrophobicContact CH2-CE1 4.34Å; W950-F958 AromaticContact CH2-CZ 3.99Å; W950-F958 HydrophobicContact CH2-CZ 3.99Å; W950-F958 AromaticContact CZ3-CE1 3.75Å; W950-F958 HydrophobicContact CZ3-CE1 3.75Å; W950-F958 AromaticContact CZ3-CZ 3.63Å; W950-F958 HydrophobicContact CZ3-CZ 3.63Å; I951-F958 HydrophobicContact CB-CZ 4.46Å; I951-F958 HydrophobicContact CG1-CE2 4.43Å; I951-F958 HydrophobicContact CG1-CZ 4.2Å; I951-F958 HydrophobicContact CG2-CE2 3.94Å; I951-F958 HydrophobicContact CG2-CZ 4.21Å; E954-F958 HydrophobicContact CB-CE1 4.19Å; E954-F958 WeakPolarHBondContact O-CD1 3.43Å; E954-F958 WeakPolarHBondContact O-CE1 3.4Å; K955-F958 HydrophobicContact CB-CE2 4.43Å; K955-F958 WeakPolarHBondContact O-CB 3.4Å; K955-F958 PolarHBondContact O-N 2.9Å; F958-I960 VanDerWaalsContact C-N 3.26Å; F958-I960 PolarHBondContact O-N 3.48Å; F958-Y965 AromaticContact CD1-CD2 3.75Å; F958-Y965 HydrophobicContact CD1-CD2 3.75Å; F958-Y965 HydrophobicContact CD1-CE2 4.36Å; F958-Y965 HydrophobicContact CD1-CG 4.02Å; F958-Y965 AromaticContact CE1-CD2 3.88Å; F958-Y965 HydrophobicContact CE1-CD2 3.88Å; F958-Y965 HydrophobicContact CE1-CE2 4.02Å; F958-Y965 HydrophobicContact CE1-CG 4.26Å; F958-F967 HydrophobicContact CB-CE2 4.32Å; F958-F967 HydrophobicContact CB-CZ 3.99Å
959G72.7Confident77.7Confident39 Ų3978.8 Ų78.840%0.40242%0.424SS..THydrogen-bonded Turntrans76.25.6179.800000115.2L957 E961 Y965 F967L957-G959 PolarHBondContact O-N 3.25Å; G959-E961 PolarHBondContact O-N 2.92Å; G959-Y965 PolarHBondContact N-O 2.82Å; G959-Y965 VanDerWaalsContact N-O 3.15Å; G959-F967 VanDerWaalsContact CA-CE2 3.47Å
960I74.5Confident77.7Confident80 Ų8078.9 Ų78.941%0.4141%0.413SS..  trans-67.5125.4173.2-62-171.3000109.7Q956 L957 F958 N962 G963 C966Q956-I960 VanDerWaalsContact O-CD1 3.23Å; Q956-I960 WeakPolarHBondContact O-CD1 3.34Å; L957-I960 HydrophobicContact CD2-CD1 4.25Å; F958-I960 VanDerWaalsContact C-N 3.26Å; F958-I960 PolarHBondContact O-N 3.48Å; I960-N962 PolarHBondContact O-N 2.92Å; I960-G963 PolarHBondContact O-N 3.01Å; I960-C966 WeakPolarHBondContact O-CB 3.44Å
961E72.1Confident77.7Confident152 Ų15280.9 Ų80.971%0.7143%0.426SS*.THydrogen-bonded Turntrans-58.1131173.8-73.3-171.9157.600111.2G959 G963G959-E961 PolarHBondContact O-N 2.92Å; E961-G963 PolarHBondContact O-N 3.14Å
962N73.3Confident77.8Confident161 Ų16181.4 Ų81.486%0.86143%0.429SS*.THydrogen-bonded Turntrans62.810.6-172.9-54.5-40.5000115.7I960 C966I960-N962 PolarHBondContact O-N 2.92Å; N962-C966 PolarHBondContact N-SG 2.95Å
963G77.5Confident78.1Confident28 Ų2879.6 Ų79.629%0.28942%0.423SS..SBendtrans-81.5171.9171.800000114.2I960 E961 Y965 C966I960-G963 PolarHBondContact O-N 3.01Å; E961-G963 PolarHBondContact O-N 3.14Å; G963-Y965 PolarHBondContact O-N 3.05Å; G963-C966 WeakPolarHBondContact O-CB 3.17Å; G963-C966 PolarHBondContact O-N 3.42Å; G963-C966 VanDerWaalsContact O-N 3.15Å
964V76.2Confident78.3Confident104 Ų10478.5 Ų78.563%0.6342%0.418SS*.THydrogen-bonded Turntrans-62.3-25.6178.5-171.80000112.2
965Y81.8Confident78.5Confident13 Ų1376.7 Ų76.75%0.05141%0.411CS..BIsolated β-bridgetrans-112.839.5176.2-54.5-66.7000112.1K232 F233 A236 W950 E954 L957 F958 G959 G963 F967K232-Y965 HydrophobicContact CB-CE1 4.19Å; F233-Y965 HydrophobicContact CD2-CD1 4.38Å; A236-Y965 HydrophobicContact CB-CD1 3.69Å; A236-Y965 HydrophobicContact CB-CE1 4.25Å; A236-Y965 HydrophobicContact CB-CG 3.95Å; W950-Y965 HydrophobicContact CH2-CE1 4.48Å; W950-Y965 HydrophobicContact CZ3-CE1 4.39Å; W950-Y965 HydrophobicContact CZ3-CE2 4.37Å; W950-Y965 AromaticContact CZ3-CZ 3.86Å; E954-Y965 HydrophobicContact CB-CE2 4.29Å; E954-Y965 WeakPolarHBondContact OE2-CE2 3.23Å; E954-Y965 PolarHBondContact OE2-OH 2.91Å; L957-Y965 HydrophobicContact CB-CD2 3.99Å; F958-Y965 AromaticContact CD1-CD2 3.75Å; F958-Y965 HydrophobicContact CD1-CD2 3.75Å; F958-Y965 HydrophobicContact CD1-CE2 4.36Å; F958-Y965 HydrophobicContact CD1-CG 4.02Å; F958-Y965 AromaticContact CE1-CD2 3.88Å; F958-Y965 HydrophobicContact CE1-CD2 3.88Å; F958-Y965 HydrophobicContact CE1-CE2 4.02Å; F958-Y965 HydrophobicContact CE1-CG 4.26Å; G959-Y965 PolarHBondContact N-O 2.82Å; G959-Y965 VanDerWaalsContact N-O 3.15Å; G963-Y965 PolarHBondContact O-N 3.05Å; Y965-F967 VanDerWaalsContact O-CD1 3.3Å; Y965-F967 WeakPolarHBondContact O-CD1 3.48Å; Y965-F967 VanDerWaalsContact O-CE1 3.27Å; Y965-F967 WeakPolarHBondContact O-CE1 2.92Å; Y965-F967 PolarHBondContact O-N 3.41Å
966C80.6Confident78.9Confident2 Ų278.9 Ų78.91%0.01442%0.416CS..  trans-75.9102.3178.3179.40000111.2I960 N962 G963 T968 S969I960-C966 WeakPolarHBondContact O-CB 3.44Å; N962-C966 PolarHBondContact N-SG 2.95Å; G963-C966 WeakPolarHBondContact O-CB 3.17Å; G963-C966 PolarHBondContact O-N 3.42Å; G963-C966 VanDerWaalsContact O-N 3.15Å; C966-T968 VanDerWaalsContact C-N 3.26Å; C966-T968 PolarHBondContact O-N 2.85Å; C966-T968 PolarHBondContact SG-OG1 2.97Å; C966-S969 WeakPolarHBondContact CB-OG 3.45Å; C966-S969 PolarHBondContact O-N 3.47Å; C966-S969 PolarHBondContact O-OG 3.07Å
967F80.7Confident79.4Confident37 Ų3779.3 Ų79.316%0.16241%0.411CS..THydrogen-bonded Turntrans-70.5-18.3-175.3-50.8-42.1000114.2F233 A236 Y237 T240 F958 G959 Y965F233-F967 HydrophobicContact CE2-CD1 4Å; F233-F967 HydrophobicContact CE2-CE1 4.46Å; F233-F967 AromaticContact CZ-CD1 3.93Å; F233-F967 HydrophobicContact CZ-CD1 3.93Å; A236-F967 HydrophobicContact CB-CE1 4.13Å; A236-F967 HydrophobicContact CB-CZ 4.17Å; Y237-F967 HydrophobicContact CD2-CB 4.15Å; Y237-F967 AromaticContact CD2-CD1 3.89Å; Y237-F967 HydrophobicContact CD2-CD1 3.89Å; Y237-F967 HydrophobicContact CD2-CD2 4.09Å; Y237-F967 HydrophobicContact CD2-CE1 4.32Å; Y237-F967 HydrophobicContact CD2-CE2 4.49Å; Y237-F967 AromaticContact CD2-CG 3.78Å; Y237-F967 HydrophobicContact CD2-CG 3.78Å; Y237-F967 HydrophobicContact CG-CD1 4.41Å; T240-F967 HydrophobicContact CG2-CE2 4.21Å; T240-F967 WeakPolarHBondContact OG1-CE2 3.41Å; F958-F967 HydrophobicContact CB-CE2 4.32Å; F958-F967 HydrophobicContact CB-CZ 3.99Å; G959-F967 VanDerWaalsContact CA-CE2 3.47Å; Y965-F967 VanDerWaalsContact O-CD1 3.3Å; Y965-F967 WeakPolarHBondContact O-CD1 3.48Å; Y965-F967 VanDerWaalsContact O-CE1 3.27Å; Y965-F967 WeakPolarHBondContact O-CE1 2.92Å; Y965-F967 PolarHBondContact O-N 3.41Å
968T77.4Confident79.7Confident117 Ų11781.3 Ų81.372%0.71841%0.413SS*.THydrogen-bonded Turntrans-79.8-33174.650.80000112.3C966C966-T968 VanDerWaalsContact C-N 3.26Å; C966-T968 PolarHBondContact O-N 2.85Å; C966-T968 PolarHBondContact SG-OG1 2.97Å
969S75.4Confident79.9Confident92 Ų9280.5 Ų80.564%0.64341%0.41SS*.THydrogen-bonded Turntrans-77.4-23.2-178.869.90000114.2C966C966-S969 WeakPolarHBondContact CB-OG 3.45Å; C966-S969 PolarHBondContact O-N 3.47Å; C966-S969 PolarHBondContact O-OG 3.07Å
970R77.3Confident80.6Confident91 Ų9184.1 Ų84.134%0.34342%0.416SS..SBendtrans-139.9115.7-174.6-176.7-179.4-128.1162.87.8109.4H229 F233 P972 T975H229-R970 PolarHBondContact NE2-NH1 3.1Å; F233-R970 HydrophobicContact CE1-CB 4.26Å; F233-R970 HydrophobicContact CE1-CG 3.98Å; F233-R970 HydrophobicContact CE2-CB 4.07Å; F233-R970 HydrophobicContact CE2-CG 4.43Å; F233-R970 HydrophobicContact CZ-CB 3.72Å; F233-R970 HydrophobicContact CZ-CG 3.95Å; F233-R970 WeakPolarHBondContact CZ-O 3.43Å; R970-P972 WeakPolarHBondContact O-CD 3.38Å; R970-T975 WeakPolarHBondContact CG-OG1 3.27Å
971D82.1Confident81.1Confident78 Ų7882.9 Ų82.942%0.41741%0.414SS..  trans-64.4118179.4179.42.4000110.7I973 E974 T975D971-I973 VanDerWaalsContact C-N 3.34Å; D971-I973 PolarHBondContact O-N 3.31Å; D971-I973 WeakPolarHBondContact OD1-CB 3.2Å; D971-I973 PolarHBondContact OD1-N 2.84Å; D971-E974 HydrophobicContact CB-CB 3.95Å; D971-T975 WeakPolarHBondContact O-CB 3.46Å; D971-T975 PolarHBondContact O-N 3.14Å; D971-T975 PolarHBondContact O-OG1 2.91Å
972P82.1Confident82Confident10 Ų1076 Ų767%0.06538%0.382CS..Hα-helixtrans-64.7-32.8178.6-22.235.8000114.4F233 Y237 R970 T975 R976F233-P972 HydrophobicContact CE1-CB 4.16Å; F233-P972 HydrophobicContact CE1-CG 4.02Å; F233-P972 HydrophobicContact CZ-CG 4.27Å; Y237-P972 HydrophobicContact CD1-CB 3.23Å; Y237-P972 HydrophobicContact CD1-CG 3.73Å; Y237-P972 HydrophobicContact CD2-CB 3.88Å; Y237-P972 HydrophobicContact CD2-CG 3.35Å; Y237-P972 HydrophobicContact CE1-CB 3.47Å; Y237-P972 VanDerWaalsContact CE1-CB 3.47Å; Y237-P972 HydrophobicContact CE1-CG 3.84Å; Y237-P972 HydrophobicContact CE2-CB 4.09Å; Y237-P972 HydrophobicContact CE2-CG 3.48Å; Y237-P972 VanDerWaalsContact CE2-CG 3.48Å; Y237-P972 HydrophobicContact CG-CB 3.41Å; Y237-P972 VanDerWaalsContact CG-CB 3.41Å; Y237-P972 HydrophobicContact CG-CG 3.44Å; Y237-P972 VanDerWaalsContact CG-CG 3.44Å; R970-P972 WeakPolarHBondContact O-CD 3.38Å; P972-T975 PolarHBondContact O-N 3.45Å; P972-R976 PolarHBondContact O-N 3.28Å
973I81.5Confident82.7Confident99 Ų9971.7 Ų71.751%0.50836%0.356SS..Hα-helixtrans-68-49.1179.4-61.2174.8000109.2D971 T975 R976 R977D971-I973 VanDerWaalsContact C-N 3.34Å; D971-I973 PolarHBondContact O-N 3.31Å; D971-I973 WeakPolarHBondContact OD1-CB 3.2Å; D971-I973 PolarHBondContact OD1-N 2.84Å; I973-T975 VanDerWaalsContact C-N 3.28Å; I973-T975 PolarHBondContact O-N 2.87Å; I973-R976 PolarHBondContact O-N 2.81Å; I973-R977 PolarHBondContact O-N 3.13Å; I973-R977 VanDerWaalsContact O-N 3.17Å
974E81Confident83.1Confident137 Ų13774.2 Ų74.264%0.6436%0.36SS*.Hα-helixtrans-59.5-42175.3-164.1-176.9-17600111D971 R976 R977 R978D971-E974 HydrophobicContact CB-CB 3.95Å; E974-R976 PolarHBondContact O-N 3.36Å; E974-R977 PolarHBondContact O-N 3.23Å; E974-R978 WeakPolarHBondContact O-CB 3.48Å; E974-R978 PolarHBondContact O-N 3.43Å
975T86.1Confident83.5Confident9 Ų975.4 Ų75.46%0.05535%0.353CS..Hα-helixtrans-63.1-40.1178.7-58.80000112.8L230 F233 I234 R970 D971 P972 I973 R978 V979L230-T975 HydrophobicContact CB-CG2 3.92Å; L230-T975 HydrophobicContact CD1-CG2 4.32Å; L230-T975 HydrophobicContact CD2-CG2 3.77Å; L230-T975 HydrophobicContact CG-CG2 4.2Å; F233-T975 HydrophobicContact CD1-CG2 3.86Å; F233-T975 HydrophobicContact CE1-CG2 4.46Å; I234-T975 HydrophobicContact CD1-CG2 4.15Å; I234-T975 HydrophobicContact CG1-CG2 3.93Å; R970-T975 WeakPolarHBondContact CG-OG1 3.27Å; D971-T975 WeakPolarHBondContact O-CB 3.46Å; D971-T975 PolarHBondContact O-N 3.14Å; D971-T975 PolarHBondContact O-OG1 2.91Å; P972-T975 PolarHBondContact O-N 3.45Å; I973-T975 VanDerWaalsContact C-N 3.28Å; I973-T975 PolarHBondContact O-N 2.87Å; T975-R978 WeakPolarHBondContact O-CB 3.3Å; T975-R978 PolarHBondContact O-N 3.14Å; T975-V979 PolarHBondContact O-N 3Å
976R85.5Confident83.8Confident128 Ų12878.5 Ų78.548%0.48337%0.365SS..Hα-helixtrans-67-43.7177.5-173.2-177.3-79.2166.9-14.7112.3I234 D238 P972 I973 E974 R978 V979 H980I234-R976 HydrophobicContact CD1-CB 4.03Å; I234-R976 HydrophobicContact CD1-CG 4.36Å; I234-R976 HydrophobicContact CG1-CB 4.39Å; D238-R976 IonicContact OD1-CZ 3.7Å; D238-R976 IonicContact OD1-NH2 2.98Å; D238-R976 PolarHBondContact OD1-NH2 3.49Å; D238-R976 IonicContact OD2-CZ 2.85Å; D238-R976 IonicContact OD2-NH2 3.52Å; D238-R976 PolarHBondContact OD2-NH2 3.11Å; P972-R976 PolarHBondContact O-N 3.28Å; I973-R976 PolarHBondContact O-N 2.81Å; E974-R976 PolarHBondContact O-N 3.36Å; R976-R978 PolarHBondContact O-N 2.85Å; R976-V979 PolarHBondContact O-N 3.38Å; R976-H980 PolarHBondContact O-N 3.36Å
977R85.4Confident84.1Confident184 Ų18481.7 Ų81.769%0.69438%0.382SS*.Hα-helixtrans-57.5-42.2172.3-70.3178.5178.8176.51110.5I973 E974 H980 S981I973-R977 PolarHBondContact O-N 3.13Å; I973-R977 VanDerWaalsContact O-N 3.17Å; E974-R977 PolarHBondContact O-N 3.23Å; R977-H980 PolarHBondContact O-N 2.9Å; R977-S981 WeakPolarHBondContact O-CB 3.36Å; R977-S981 PolarHBondContact O-N 3.46Å; R977-S981 PolarHBondContact O-OG 3.37Å
978R87Confident84.1Confident122 Ų12288 Ų8846%0.4640%0.404SS..Hα-helixtrans-60.2-51.3176.5-175.461.7176.1-174.30.8111.8E226 L230 E974 T975 R976 H980 S981 L982E226-R978 IonicContact OE1-CZ 2.64Å; E226-R978 IonicContact OE1-NE 2.56Å; E226-R978 PolarHBondContact OE1-NE 3.46Å; E226-R978 IonicContact OE1-NH2 2.73Å; E226-R978 PolarHBondContact OE1-NH2 2.9Å; E226-R978 VanDerWaalsContact OE1-NH2 3.08Å; E226-R978 IonicContact OE2-NH2 3.42Å; L230-R978 HydrophobicContact CD1-CB 4.31Å; L230-R978 HydrophobicContact CD1-CG 3.74Å; E974-R978 WeakPolarHBondContact O-CB 3.48Å; E974-R978 PolarHBondContact O-N 3.43Å; T975-R978 WeakPolarHBondContact O-CB 3.3Å; T975-R978 PolarHBondContact O-N 3.14Å; R976-R978 PolarHBondContact O-N 2.85Å; R978-H980 PolarHBondContact O-N 3.29Å; R978-S981 PolarHBondContact O-N 3.32Å; R978-S981 PolarHBondContact O-OG 3.01Å; R978-L982 HydrophobicContact CG-CD1 3.92Å; R978-L982 HydrophobicContact CG-CG 4.42Å; R978-L982 WeakPolarHBondContact O-CB 3.32Å; R978-L982 VanDerWaalsContact O-CG 3.22Å; R978-L982 WeakPolarHBondContact O-CG 3.39Å; R978-L982 PolarHBondContact O-N 3.41Å
979V88Confident84.4Confident8 Ų883.2 Ų83.25%0.04837%0.374CS..Hα-helixtrans-58.9-45.3178.5170.10000112.5I227 L230 E231 I234 T975 R976 S981 L982 K983I227-V979 HydrophobicContact CG2-CG1 4.47Å; L230-V979 HydrophobicContact CB-CG2 3.23Å; L230-V979 HydrophobicContact CD1-CG2 3.83Å; L230-V979 HydrophobicContact CG-CG2 4.17Å; E231-V979 HydrophobicContact CG-CG1 3.83Å; I234-V979 HydrophobicContact CD1-CB 3.95Å; I234-V979 HydrophobicContact CD1-CG2 3.57Å; T975-V979 PolarHBondContact O-N 3Å; R976-V979 PolarHBondContact O-N 3.38Å; V979-S981 PolarHBondContact O-N 3.16Å; V979-L982 PolarHBondContact O-N 3.44Å; V979-K983 HydrophobicContact CG1-CD 4.39Å; V979-K983 HydrophobicContact CG1-CG 4.46Å; V979-K983 PolarHBondContact O-N 2.96Å
980H86.6Confident84.6Confident115 Ų11581.7 Ų81.753%0.53236%0.364SS..Hα-helixtrans-61.2-47.6179-173.766000111.2R976 R977 R978 L982 K983 E984R976-H980 PolarHBondContact O-N 3.36Å; R977-H980 PolarHBondContact O-N 2.9Å; R978-H980 PolarHBondContact O-N 3.29Å; H980-L982 VanDerWaalsContact C-N 3.25Å; H980-L982 PolarHBondContact O-N 3.39Å; H980-K983 PolarHBondContact O-N 2.95Å; H980-K983 VanDerWaalsContact O-N 3.15Å; H980-E984 IonicContact NE2-OE1 2.71Å; H980-E984 PolarHBondContact O-N 3.29Å; H980-E984 VanDerWaalsContact O-N 3.08Å
981S86.1Confident84.6Confident54 Ų5487.9 Ų87.938%0.37839%0.387SS..Hα-helixtrans-58.9-37.7175.775.90000112.4R977 R978 V979 R985R977-S981 WeakPolarHBondContact O-CB 3.36Å; R977-S981 PolarHBondContact O-N 3.46Å; R977-S981 PolarHBondContact O-OG 3.37Å; R978-S981 PolarHBondContact O-N 3.32Å; R978-S981 PolarHBondContact O-OG 3.01Å; V979-S981 PolarHBondContact O-N 3.16Å; S981-R985 VanDerWaalsContact O-CB 3.27Å; S981-R985 WeakPolarHBondContact O-CB 3.08Å; S981-R985 PolarHBondContact O-N 3.22Å; S981-R985 VanDerWaalsContact O-N 3.1Å
982L89.8Confident84.2Confident6 Ų688.9 Ų88.93%0.03140%0.396CS..Hα-helixtrans-70.5-38.8177.4-72.3172000112V223 E226 I227 L230 R978 V979 H980 R985 R986V223-L982 HydrophobicContact CB-CD2 4.45Å; V223-L982 HydrophobicContact CG1-CB 4.04Å; V223-L982 HydrophobicContact CG1-CD2 4.12Å; V223-L982 WeakPolarHBondContact CG1-O 3.32Å; V223-L982 HydrophobicContact CG2-CD2 4.01Å; E226-L982 HydrophobicContact CB-CD1 4.07Å; E226-L982 HydrophobicContact CG-CD1 3.73Å; I227-L982 HydrophobicContact CD1-CB 3.98Å; I227-L982 HydrophobicContact CG1-CB 3.58Å; I227-L982 HydrophobicContact CG1-CD1 4.33Å; L230-L982 HydrophobicContact CD1-CD1 4.02Å; R978-L982 HydrophobicContact CG-CD1 3.92Å; R978-L982 HydrophobicContact CG-CG 4.42Å; R978-L982 WeakPolarHBondContact O-CB 3.32Å; R978-L982 VanDerWaalsContact O-CG 3.22Å; R978-L982 WeakPolarHBondContact O-CG 3.39Å; R978-L982 PolarHBondContact O-N 3.41Å; V979-L982 PolarHBondContact O-N 3.44Å; H980-L982 VanDerWaalsContact C-N 3.25Å; H980-L982 PolarHBondContact O-N 3.39Å; L982-R985 CarbonylContact O-C 3.56Å; L982-R985 WeakPolarHBondContact O-CB 3.31Å; L982-R985 PolarHBondContact O-N 3.48Å; L982-R986 WeakPolarHBondContact O-CB 3.29Å; L982-R986 PolarHBondContact O-N 2.77Å
983K87.9Confident84Confident72 Ų7289.5 Ų89.531%0.31340%0.4SS..Hα-helixtrans-64.6-47.8177-80.5-176.1176.2179.50112.3I227 E231 V979 H980 R985 R986 D987I227-K983 HydrophobicContact CD1-CG 3.99Å; I227-K983 HydrophobicContact CG1-CG 4.44Å; I227-K983 HydrophobicContact CG2-CG 4.32Å; E231-K983 WeakPolarHBondContact OE1-CE 3.29Å; E231-K983 IonicContact OE1-NZ 2.69Å; E231-K983 PolarHBondContact OE1-NZ 3.41Å; V979-K983 HydrophobicContact CG1-CD 4.39Å; V979-K983 HydrophobicContact CG1-CG 4.46Å; V979-K983 PolarHBondContact O-N 2.96Å; H980-K983 PolarHBondContact O-N 2.95Å; H980-K983 VanDerWaalsContact O-N 3.15Å; K983-R985 PolarHBondContact O-N 3.37Å; K983-R986 WeakPolarHBondContact O-CB 3.44Å; K983-R986 PolarHBondContact O-N 2.99Å; K983-R986 VanDerWaalsContact O-N 3.16Å; K983-D987 PolarHBondContact O-N 2.97Å
984E86.7Confident83.9Confident80 Ų8087 Ų8737%0.37439%0.387SS..Hα-helixtrans-58.1-40.2173.8-68.6-167.216200110.8H980 D987 R988H980-E984 IonicContact NE2-OE1 2.71Å; H980-E984 PolarHBondContact O-N 3.29Å; H980-E984 VanDerWaalsContact O-N 3.08Å; E984-D987 PolarHBondContact O-N 3.29Å; E984-R988 WeakPolarHBondContact O-CB 3.28Å; E984-R988 WeakPolarHBondContact O-CG 3.46Å; E984-R988 PolarHBondContact O-N 3.26Å; E984-R988 IonicContact OE2-CZ 3.97Å; E984-R988 IonicContact OE2-NH2 2.7Å; E984-R988 PolarHBondContact OE2-NH2 3.44Å
985R84.7Confident83.7Confident130 Ų13086.7 Ų86.749%0.49139%0.388SS..Hα-helixtrans-65.2-42.6177-164.7156.3-176.8130.90.3111.8E219 S981 L982 K983 D987 R988 L989E219-R985 IonicContact OE1-CZ 2.6Å; E219-R985 IonicContact OE1-NE 3.56Å; E219-R985 PolarHBondContact OE1-NE 3.34Å; E219-R985 IonicContact OE1-NH2 3.79Å; E219-R985 PolarHBondContact OE1-NH2 2.76Å; E219-R985 IonicContact OE2-NH2 3.51Å; S981-R985 VanDerWaalsContact O-CB 3.27Å; S981-R985 WeakPolarHBondContact O-CB 3.08Å; S981-R985 PolarHBondContact O-N 3.22Å; S981-R985 VanDerWaalsContact O-N 3.1Å; L982-R985 CarbonylContact O-C 3.56Å; L982-R985 WeakPolarHBondContact O-CB 3.31Å; L982-R985 PolarHBondContact O-N 3.48Å; K983-R985 PolarHBondContact O-N 3.37Å; R985-D987 PolarHBondContact O-N 2.96Å; R985-R988 PolarHBondContact O-N 3.44Å; R985-L989 HydrophobicContact CG-CD1 3.95Å; R985-L989 VanDerWaalsContact O-CB 3.29Å; R985-L989 WeakPolarHBondContact O-CB 3.49Å; R985-L989 WeakPolarHBondContact O-CD1 3.37Å; R985-L989 WeakPolarHBondContact O-CG 3.42Å; R985-L989 PolarHBondContact O-N 3.34Å
986R88.6Confident83.3Confident78 Ų7895.2 Ų95.229%0.29442%0.419SS..Hα-helixtrans-56.8-47.7173179.6-155.866.8-168.7-3.5111.2Y220 V223 V224 I227 L982 K983 L989 S990Y220-R986 HydrophobicContact CD2-CG 4.18Å; Y220-R986 HydrophobicContact CE2-CG 3.66Å; V223-R986 HydrophobicContact CG1-CB 3.89Å; V224-R986 HydrophobicContact CG2-CG 3.94Å; I227-R986 HydrophobicContact CD1-CB 4.1Å; L982-R986 WeakPolarHBondContact O-CB 3.29Å; L982-R986 PolarHBondContact O-N 2.77Å; K983-R986 WeakPolarHBondContact O-CB 3.44Å; K983-R986 PolarHBondContact O-N 2.99Å; K983-R986 VanDerWaalsContact O-N 3.16Å; R986-L989 PolarHBondContact O-N 3.44Å; R986-S990 WeakPolarHBondContact O-CB 3.25Å; R986-S990 PolarHBondContact O-N 3.2Å
987D85.5Confident83Confident69 Ų6989.2 Ų89.237%0.36940%0.396SS..Hα-helixtrans-70.9-35.5-175-68.4-16.8000112.4K983 E984 R985K983-D987 PolarHBondContact O-N 2.97Å; E984-D987 PolarHBondContact O-N 3.29Å; R985-D987 PolarHBondContact O-N 2.96Å
988R82Confident82.6Confident168 Ų16884.7 Ų84.763%0.63438%0.384SS*.Hα-helixtrans-64.9-44.3170.5-68.4177.7-141.1-158.57.1111.3E984 R985 T992E984-R988 WeakPolarHBondContact O-CB 3.28Å; E984-R988 WeakPolarHBondContact O-CG 3.46Å; E984-R988 PolarHBondContact O-N 3.26Å; E984-R988 IonicContact OE2-CZ 3.97Å; E984-R988 IonicContact OE2-NH2 2.7Å; E984-R988 PolarHBondContact OE2-NH2 3.44Å; R985-R988 PolarHBondContact O-N 3.44Å; R988-T992 PolarHBondContact O-OG1 2.61Å
989L82.8Confident82.2Confident17 Ų1785 Ų859%0.08940%0.395CS..Hα-helixtrans-68.5-41.3179.7-72.8168.4000112.1E219 Y220 R985 R986 R991 T992 V993E219-L989 HydrophobicContact CB-CD1 4.36Å; E219-L989 HydrophobicContact CG-CD1 3.96Å; Y220-L989 HydrophobicContact CD2-CB 4Å; R985-L989 HydrophobicContact CG-CD1 3.95Å; R985-L989 VanDerWaalsContact O-CB 3.29Å; R985-L989 WeakPolarHBondContact O-CB 3.49Å; R985-L989 WeakPolarHBondContact O-CD1 3.37Å; R985-L989 WeakPolarHBondContact O-CG 3.42Å; R985-L989 PolarHBondContact O-N 3.34Å; R986-L989 PolarHBondContact O-N 3.44Å; L989-R991 PolarHBondContact O-N 2.94Å; L989-R991 VanDerWaalsContact O-N 3.15Å; L989-T992 PolarHBondContact O-N 3.46Å; L989-T992 PolarHBondContact O-OG1 3.12Å; L989-T992 VanDerWaalsContact O-OG1 3.08Å; L989-V993 HydrophobicContact CB-CG2 4.18Å; L989-V993 VanDerWaalsContact O-CB 3.26Å; L989-V993 WeakPolarHBondContact O-CB 2.86Å; L989-V993 WeakPolarHBondContact O-CG2 3.41Å; L989-V993 PolarHBondContact O-N 3.12Å
990S79.5Confident81.9Confident60 Ų6088.7 Ų88.742%0.4241%0.413SS..Hα-helixtrans-61.1-31.9-173.988.50000113.2R986 T992R986-S990 WeakPolarHBondContact O-CB 3.25Å; R986-S990 PolarHBondContact O-N 3.2Å; S990-T992 VanDerWaalsContact C-N 3.32Å; S990-T992 PolarHBondContact O-N 3.11Å
991R78.5Confident81.9Confident222 Ų22283.3 Ų83.384%0.83839%0.388SS*.THydrogen-bonded Turntrans-70.9-25.2178.3-66.7178.6-178.7176.31.1113.8L989L989-R991 PolarHBondContact O-N 2.94Å; L989-R991 VanDerWaalsContact O-N 3.15Å
992T73.1Confident81.8Confident98 Ų9882.2 Ų82.260%0.60139%0.385SS*.THydrogen-bonded Turntrans-110.9-16.4-170.547.60000113.2R988 L989 S990 N994R988-T992 PolarHBondContact O-OG1 2.61Å; L989-T992 PolarHBondContact O-N 3.46Å; L989-T992 PolarHBondContact O-OG1 3.12Å; L989-T992 VanDerWaalsContact O-OG1 3.08Å; S990-T992 VanDerWaalsContact C-N 3.32Å; S990-T992 PolarHBondContact O-N 3.11Å; T992-N994 PolarHBondContact O-N 2.88Å
993V78.3Confident81.6Confident23 Ų2386.7 Ų86.714%0.13941%0.409CS..  trans-77.2115-170.4159.60000112.2Y217 L989Y217-V993 HydrophobicContact CD2-CG1 3.46Å; Y217-V993 VanDerWaalsContact CD2-CG1 3.46Å; Y217-V993 HydrophobicContact CE2-CG1 4.47Å; Y217-V993 HydrophobicContact CG-CG1 4.16Å; L989-V993 HydrophobicContact CB-CG2 4.18Å; L989-V993 VanDerWaalsContact O-CB 3.26Å; L989-V993 WeakPolarHBondContact O-CB 2.86Å; L989-V993 WeakPolarHBondContact O-CG2 3.41Å; L989-V993 PolarHBondContact O-N 3.12Å
994N78.5Confident81.5Confident47 Ų4783.7 Ų83.725%0.25140%0.397SS..  trans-86.9109.5172.5178.82.5000111.1E213 T992 R996 A997E213-N994 HydrophobicContact CB-CB 4.44Å; E213-N994 HydrophobicContact CG-CB 4.43Å; E213-N994 WeakPolarHBondContact OE2-CB 3.43Å; E213-N994 PolarHBondContact OE2-ND2 2.98Å; T992-N994 PolarHBondContact O-N 2.88Å; N994-R996 PolarHBondContact O-N 3.02Å; N994-R996 PolarHBondContact OD1-N 3.44Å; N994-A997 HydrophobicContact CB-CB 4.38Å; N994-A997 WeakPolarHBondContact O-CB 3.49Å; N994-A997 PolarHBondContact O-N 3.4Å
995M76.4Confident81.6Confident131 Ų13183 Ų8365%0.64539%0.394SS*.THydrogen-bonded Turntrans-67.9-15.8-178.9-64.7-162.5159.900114.5Y217Y217-M995 HydrophobicContact CD2-CG 4.23Å; Y217-M995 HydrophobicContact CE2-CB 4.29Å; Y217-M995 HydrophobicContact CE2-CE 4.17Å; Y217-M995 HydrophobicContact CE2-CG 3.81Å; Y217-M995 HydrophobicContact CE2-SD 4.43Å
996R78.6Confident81.7Confident188 Ų18883.8 Ų83.871%0.70940%0.401SS*.THydrogen-bonded Turntrans-94-1.8178.4-67.9-175.8-178.6179.41.5113.8N994 M998 N999 M1000N994-R996 PolarHBondContact O-N 3.02Å; N994-R996 PolarHBondContact OD1-N 3.44Å; R996-M998 PolarHBondContact O-N 3.47Å; R996-M998 VanDerWaalsContact O-N 3.1Å; R996-N999 PolarHBondContact O-N 3.31Å; R996-N999 VanDerWaalsContact O-N 3.16Å; R996-M1000 HydrophobicContact CB-CE 3.75Å; R996-M1000 PolarHBondContact O-N 3.17Å
997A79.6Confident81.6Confident1 Ų185.2 Ų85.21%0.00841%0.411CS..Hα-helixtrans-54.7-33.4-174.500000113.3E213 N994 N999 M1000 L1001E213-A997 HydrophobicContact CB-CB 3.77Å; N994-A997 HydrophobicContact CB-CB 4.38Å; N994-A997 WeakPolarHBondContact O-CB 3.49Å; N994-A997 PolarHBondContact O-N 3.4Å; A997-N999 PolarHBondContact O-N 3.27Å; A997-M1000 PolarHBondContact O-N 3.33Å; A997-L1001 VanDerWaalsContact O-CB 3.25Å; A997-L1001 WeakPolarHBondContact O-CB 3.39Å; A997-L1001 PolarHBondContact O-N 3.12Å
998M76.2Confident81.8Confident90 Ų9086.1 Ų86.144%0.44341%0.41SS..Hα-helixtrans-60.3-42.7-179.5-144.6106.2169.200113R214 R996 G1002R214-M998 HydrophobicContact CG-SD 4.08Å; R996-M998 PolarHBondContact O-N 3.47Å; R996-M998 VanDerWaalsContact O-N 3.1Å; M998-G1002 PolarHBondContact O-N 2.97Å
999N79Confident82.2Confident129 Ų12981.5 Ų81.569%0.6940%0.404SS*.Hα-helixtrans-77.9-39.8-178.8-71.8-12.2000111.8R996 A997 L1001 G1002 N1003R996-N999 PolarHBondContact O-N 3.31Å; R996-N999 VanDerWaalsContact O-N 3.16Å; A997-N999 PolarHBondContact O-N 3.27Å; N999-L1001 VanDerWaalsContact C-N 3.35Å; N999-G1002 PolarHBondContact O-N 3.1Å; N999-N1003 PolarHBondContact O-N 2.94Å
1000M81.4Confident82.5Confident84 Ų8485.7 Ų85.741%0.41442%0.422SS..Hα-helixtrans-65.6-40.1178.8-62.8-165.7-149.400111.4L210 R996 A997 G1002 N1003 A1004L210-M1000 HydrophobicContact CD1-CB 3.98Å; L210-M1000 HydrophobicContact CD2-CB 3.78Å; L210-M1000 HydrophobicContact CD2-SD 4.41Å; R996-M1000 HydrophobicContact CB-CE 3.75Å; R996-M1000 PolarHBondContact O-N 3.17Å; A997-M1000 PolarHBondContact O-N 3.33Å; M1000-G1002 VanDerWaalsContact C-N 3.34Å; M1000-G1002 PolarHBondContact O-N 3.16Å; M1000-N1003 PolarHBondContact O-N 2.91Å; M1000-A1004 PolarHBondContact O-N 3.37Å
1001L86.7Confident83Confident3 Ų384 Ų842%0.01641%0.409CS..Hα-helixtrans-59.6-44.3176.9-177.864.4000111.3I207 L210 R211 A997 N999 N1003 A1004 E1005I207-L1001 HydrophobicContact CG2-CD1 4.34Å; L210-L1001 HydrophobicContact CB-CB 4.15Å; L210-L1001 HydrophobicContact CB-CD1 3.82Å; R211-L1001 HydrophobicContact CG-CD1 3.75Å; R211-L1001 HydrophobicContact CG-CD2 4.08Å; A997-L1001 VanDerWaalsContact O-CB 3.25Å; A997-L1001 WeakPolarHBondContact O-CB 3.39Å; A997-L1001 PolarHBondContact O-N 3.12Å; N999-L1001 VanDerWaalsContact C-N 3.35Å; L1001-N1003 VanDerWaalsContact C-N 3.27Å; L1001-N1003 PolarHBondContact O-N 3.35Å; L1001-A1004 PolarHBondContact O-N 3.27Å; L1001-E1005 HydrophobicContact CD1-CG 4.14Å; L1001-E1005 HydrophobicContact CG-CG 4.32Å; L1001-E1005 WeakPolarHBondContact O-CB 3.38Å; L1001-E1005 WeakPolarHBondContact O-CG 3.27Å; L1001-E1005 PolarHBondContact O-N 3.07Å
1002G83Confident83.6Confident30 Ų3075.3 Ų75.331%0.30938%0.379SS..Hα-helixtrans-61.2-32.8178.400000113.8M998 N999 M1000 K1006M998-G1002 PolarHBondContact O-N 2.97Å; N999-G1002 PolarHBondContact O-N 3.1Å; M1000-G1002 VanDerWaalsContact C-N 3.34Å; M1000-G1002 PolarHBondContact O-N 3.16Å; G1002-K1006 WeakPolarHBondContact O-CG 3.43Å; G1002-K1006 PolarHBondContact O-N 3.25Å
1003N85.9Confident84.5Confident101 Ų10179 Ų7954%0.5438%0.381SS..Hα-helixtrans-74.9-42.2175.1-72.6-15.2000112.1N999 M1000 L1001 K1006 Q1007N999-N1003 PolarHBondContact O-N 2.94Å; M1000-N1003 PolarHBondContact O-N 2.91Å; L1001-N1003 VanDerWaalsContact C-N 3.27Å; L1001-N1003 PolarHBondContact O-N 3.35Å; N1003-K1006 WeakPolarHBondContact O-CB 3.4Å; N1003-K1006 PolarHBondContact O-N 3.17Å; N1003-Q1007 PolarHBondContact O-N 3.49Å; N1003-Q1007 VanDerWaalsContact O-N 3.11Å
1004A85.7Confident85Confident8 Ų884.3 Ų84.37%0.06640%0.399CS..Hα-helixtrans-63.8-41177.200000111.7I207 L210 M1000 L1001 K1006 Q1007 Y1008I207-A1004 HydrophobicContact CD1-CB 4.5Å; I207-A1004 HydrophobicContact CG1-CB 3.79Å; L210-A1004 HydrophobicContact CD1-CB 4.05Å; M1000-A1004 PolarHBondContact O-N 3.37Å; L1001-A1004 PolarHBondContact O-N 3.27Å; A1004-K1006 VanDerWaalsContact C-N 3.33Å; A1004-K1006 PolarHBondContact O-N 2.92Å; A1004-Q1007 PolarHBondContact O-N 2.89Å; A1004-Y1008 WeakPolarHBondContact O-CB 3.15Å; A1004-Y1008 PolarHBondContact O-N 3.27Å
1005E88.8Confident85.6Confident67 Ų6784 Ų8431%0.31340%0.396SS..Hα-helixtrans-64.2-35.7176.2-72.9-177.7153.100112.3I207 R211 L1001 S1009I207-E1005 HydrophobicContact CD1-CG 4.36Å; R211-E1005 IonicContact CZ-OE1 3.08Å; R211-E1005 IonicContact NE-OE1 3.51Å; R211-E1005 PolarHBondContact NE-OE1 2.93Å; R211-E1005 IonicContact NH2-OE1 3.85Å; R211-E1005 PolarHBondContact NH2-OE1 3.38Å; L1001-E1005 HydrophobicContact CD1-CG 4.14Å; L1001-E1005 HydrophobicContact CG-CG 4.32Å; L1001-E1005 WeakPolarHBondContact O-CB 3.38Å; L1001-E1005 WeakPolarHBondContact O-CG 3.27Å; L1001-E1005 PolarHBondContact O-N 3.07Å; E1005-S1009 PolarHBondContact O-N 3.23Å; E1005-S1009 PolarHBondContact O-OG 3.01Å
1006K87.8Confident86.4Confident145 Ų14583.3 Ų83.363%0.6339%0.391SS*.Hα-helixtrans-62.6-49.4171.6-77.7177.2-178.7178.70111.9G1002 N1003 A1004 Y1008 S1009 E1010G1002-K1006 WeakPolarHBondContact O-CG 3.43Å; G1002-K1006 PolarHBondContact O-N 3.25Å; N1003-K1006 WeakPolarHBondContact O-CB 3.4Å; N1003-K1006 PolarHBondContact O-N 3.17Å; A1004-K1006 VanDerWaalsContact C-N 3.33Å; A1004-K1006 PolarHBondContact O-N 2.92Å; K1006-Y1008 VanDerWaalsContact C-N 3.32Å; K1006-Y1008 PolarHBondContact O-N 3.32Å; K1006-S1009 PolarHBondContact O-N 3.4Å; K1006-S1009 PolarHBondContact O-OG 3.44Å; K1006-E1010 PolarHBondContact O-N 3.46Å
1007Q85.7Confident87Confident109 Ų10978.7 Ų78.751%0.50938%0.379SS..Hα-helixtrans-60.8-42178.7-72.3-178.7-14.400112I203 N1003 A1004 E1010 L1011I203-Q1007 HydrophobicContact CD1-CB 4.27Å; N1003-Q1007 PolarHBondContact O-N 3.49Å; N1003-Q1007 VanDerWaalsContact O-N 3.11Å; A1004-Q1007 PolarHBondContact O-N 2.89Å; Q1007-E1010 PolarHBondContact O-N 2.84Å; Q1007-L1011 PolarHBondContact O-N 3.45Å
1008Y90.6Very high87.4Confident88 Ų8879.3 Ų79.335%0.34538%0.383SS..Hα-helixtrans-57.6-49.4173.7178.5-95.7000111.9L199 I203 N204 I207 A1004 K1006 E1010 L1011 I1012L199-Y1008 HydrophobicContact CD2-CD2 3.57Å; L199-Y1008 HydrophobicContact CD2-CE2 3.75Å; I203-Y1008 HydrophobicContact CG2-CD2 3.92Å; I203-Y1008 HydrophobicContact CG2-CG 4.34Å; N204-Y1008 VanDerWaalsContact OD1-CE2 3.22Å; N204-Y1008 WeakPolarHBondContact OD1-CE2 3.41Å; I207-Y1008 HydrophobicContact CD1-CD2 4.05Å; I207-Y1008 HydrophobicContact CD1-CG 3.83Å; A1004-Y1008 WeakPolarHBondContact O-CB 3.15Å; A1004-Y1008 PolarHBondContact O-N 3.27Å; K1006-Y1008 VanDerWaalsContact C-N 3.32Å; K1006-Y1008 PolarHBondContact O-N 3.32Å; Y1008-E1010 VanDerWaalsContact C-N 3.26Å; Y1008-E1010 PolarHBondContact O-N 3.4Å; Y1008-L1011 PolarHBondContact O-N 3.45Å; Y1008-I1012 HydrophobicContact CD1-CG1 4.13Å; Y1008-I1012 HydrophobicContact CD2-CG1 4.41Å; Y1008-I1012 HydrophobicContact CE1-CD1 4.42Å; Y1008-I1012 HydrophobicContact CE1-CG1 3.74Å; Y1008-I1012 HydrophobicContact CE2-CD1 4.17Å; Y1008-I1012 HydrophobicContact CE2-CG1 4.04Å; Y1008-I1012 HydrophobicContact CG-CG1 4.45Å; Y1008-I1012 WeakPolarHBondContact O-CG1 3.43Å; Y1008-I1012 PolarHBondContact O-N 3.3Å
1009S89.2Confident88.1Confident71 Ų7178.9 Ų78.950%0.49738%0.382SS..Hα-helixtrans-61.1-34.7179.270.70000113E1005 K1006 R1013E1005-S1009 PolarHBondContact O-N 3.23Å; E1005-S1009 PolarHBondContact O-OG 3.01Å; K1006-S1009 PolarHBondContact O-N 3.4Å; K1006-S1009 PolarHBondContact O-OG 3.44Å; S1009-R1013 WeakPolarHBondContact O-CB 3.34Å; S1009-R1013 PolarHBondContact O-N 3.24Å; S1009-R1013 VanDerWaalsContact O-N 3.14Å
1010E90.3Very high88.7Confident104 Ų10475 Ų7549%0.48637%0.368SS..Hα-helixtrans-71-42.5177.1-165.7-176163.900112.1K1006 Q1007 Y1008 R1013 R1014K1006-E1010 PolarHBondContact O-N 3.46Å; Q1007-E1010 PolarHBondContact O-N 2.84Å; Y1008-E1010 VanDerWaalsContact C-N 3.26Å; Y1008-E1010 PolarHBondContact O-N 3.4Å; E1010-R1013 PolarHBondContact O-N 2.93Å; E1010-R1014 WeakPolarHBondContact O-CG 3.47Å; E1010-R1014 PolarHBondContact O-N 3.47Å; E1010-R1014 IonicContact OE1-CZ 3.52Å; E1010-R1014 IonicContact OE1-NE 2.96Å; E1010-R1014 IonicContact OE1-NH2 3.26Å; E1010-R1014 PolarHBondContact OE1-NH2 3.26Å
1011L89.5Confident89.1Confident26 Ų2673.5 Ų73.514%0.13636%0.362CS..Hα-helixtrans-67-42.5178.1-74.7172000112.3I198 L199 I203 Q1007 Y1008 R1013 R1014 Q1015I198-L1011 HydrophobicContact CG2-CD1 3.82Å; L199-L1011 HydrophobicContact CD1-CB 4.41Å; L199-L1011 HydrophobicContact CD2-CB 3.96Å; L199-L1011 HydrophobicContact CD2-CD1 4.29Å; L199-L1011 HydrophobicContact CG-CB 4.13Å; L199-L1011 HydrophobicContact CG-CD1 4.37Å; I203-L1011 HydrophobicContact CD1-CD1 4.48Å; I203-L1011 HydrophobicContact CG1-CD1 3.8Å; Q1007-L1011 PolarHBondContact O-N 3.45Å; Y1008-L1011 PolarHBondContact O-N 3.45Å; L1011-R1013 VanDerWaalsContact C-N 3.35Å; L1011-R1013 PolarHBondContact O-N 3.37Å; L1011-R1014 PolarHBondContact O-N 2.92Å; L1011-R1014 VanDerWaalsContact O-N 3.17Å; L1011-Q1015 PolarHBondContact O-N 3.02Å
1012I91.6Very high89.2Confident39 Ų3976.4 Ų76.420%0.237%0.374CS..Hα-helixtrans-58.9-47.2174.1-69.7-66.8000110.4L199 Y1008 R1014 Q1015 E1016L199-I1012 HydrophobicContact CD1-CD1 3.93Å; L199-I1012 HydrophobicContact CD2-CD1 4.24Å; L199-I1012 HydrophobicContact CD2-CG1 4.36Å; Y1008-I1012 HydrophobicContact CD1-CG1 4.13Å; Y1008-I1012 HydrophobicContact CD2-CG1 4.41Å; Y1008-I1012 HydrophobicContact CE1-CD1 4.42Å; Y1008-I1012 HydrophobicContact CE1-CG1 3.74Å; Y1008-I1012 HydrophobicContact CE2-CD1 4.17Å; Y1008-I1012 HydrophobicContact CE2-CG1 4.04Å; Y1008-I1012 HydrophobicContact CG-CG1 4.45Å; Y1008-I1012 WeakPolarHBondContact O-CG1 3.43Å; Y1008-I1012 PolarHBondContact O-N 3.3Å; I1012-R1014 VanDerWaalsContact C-N 3.28Å; I1012-R1014 PolarHBondContact O-N 2.75Å; I1012-Q1015 WeakPolarHBondContact O-CB 3.48Å; I1012-Q1015 PolarHBondContact O-N 3.39Å; I1012-Q1015 VanDerWaalsContact O-N 3.1Å; I1012-E1016 WeakPolarHBondContact O-CG 3.42Å; I1012-E1016 PolarHBondContact O-N 3.41Å
1013R91.2Very high89.6Confident175 Ų17581.2 Ų81.266%0.6639%0.388SS*.Hα-helixtrans-58.9-38.8176.3-173.4-179.4178.2-177.70.7112.4S1009 E1010 L1011 I1017S1009-R1013 WeakPolarHBondContact O-CB 3.34Å; S1009-R1013 PolarHBondContact O-N 3.24Å; S1009-R1013 VanDerWaalsContact O-N 3.14Å; E1010-R1013 PolarHBondContact O-N 2.93Å; L1011-R1013 VanDerWaalsContact C-N 3.35Å; L1011-R1013 PolarHBondContact O-N 3.37Å; R1013-I1017 HydrophobicContact CG-CD1 4.38Å; R1013-I1017 WeakPolarHBondContact O-CD1 3.35Å; R1013-I1017 VanDerWaalsContact O-CG1 3.29Å; R1013-I1017 WeakPolarHBondContact O-CG1 3.33Å; R1013-I1017 PolarHBondContact O-N 3.41Å
1014R89.9Confident89.9Confident135 Ų13582.8 Ų82.851%0.50939%0.391SS..Hα-helixtrans-67.5-41.3175.3-72.8-179.9-172.5-170.74.7112I195 E1010 L1011 I1012 E1016 I1017 V1018I195-R1014 HydrophobicContact CD1-CB 4.33Å; E1010-R1014 WeakPolarHBondContact O-CG 3.47Å; E1010-R1014 PolarHBondContact O-N 3.47Å; E1010-R1014 IonicContact OE1-CZ 3.52Å; E1010-R1014 IonicContact OE1-NE 2.96Å; E1010-R1014 IonicContact OE1-NH2 3.26Å; E1010-R1014 PolarHBondContact OE1-NH2 3.26Å; L1011-R1014 PolarHBondContact O-N 2.92Å; L1011-R1014 VanDerWaalsContact O-N 3.17Å; I1012-R1014 VanDerWaalsContact C-N 3.28Å; I1012-R1014 PolarHBondContact O-N 2.75Å; R1014-E1016 VanDerWaalsContact C-N 3.35Å; R1014-I1017 PolarHBondContact O-N 3.16Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.36Å; R1014-V1018 PolarHBondContact O-N 3.46Å
1015Q90.7Very high90Very high40 Ų4084.2 Ų84.219%0.18740%0.397CS..Hα-helixtrans-58.3-47.4175.9-167.4-165.530.400110.6L192 I195 D196 L1011 I1012 I1017 V1018 L1019L192-Q1015 HydrophobicContact CD1-CG 4.45Å; I195-Q1015 HydrophobicContact CG2-CB 3.99Å; I195-Q1015 HydrophobicContact CG2-CG 4.35Å; D196-Q1015 PolarHBondContact OD1-NE2 2.85Å; L1011-Q1015 PolarHBondContact O-N 3.02Å; I1012-Q1015 WeakPolarHBondContact O-CB 3.48Å; I1012-Q1015 PolarHBondContact O-N 3.39Å; I1012-Q1015 VanDerWaalsContact O-N 3.1Å; Q1015-I1017 PolarHBondContact O-N 3.1Å; Q1015-V1018 PolarHBondContact O-N 3.37Å; Q1015-L1019 HydrophobicContact CG-CD1 4.21Å; Q1015-L1019 WeakPolarHBondContact O-CB 3.37Å; Q1015-L1019 WeakPolarHBondContact O-CG 3.31Å; Q1015-L1019 PolarHBondContact O-N 2.96Å
1016E91.9Very high90.1Very high116 Ų11684.4 Ų84.454%0.54240%0.398SS..Hα-helixtrans-58.5-43.5177-71.5173172.900112.4I1012 R1014 L1019 A1020I1012-E1016 WeakPolarHBondContact O-CG 3.42Å; I1012-E1016 PolarHBondContact O-N 3.41Å; R1014-E1016 VanDerWaalsContact C-N 3.35Å; E1016-L1019 PolarHBondContact O-N 3Å; E1016-A1020 WeakPolarHBondContact O-CB 3.41Å; E1016-A1020 PolarHBondContact O-N 2.8Å
1017I91.3Very high90.2Very high91 Ų9180 Ų8047%0.46738%0.383SS..Hα-helixtrans-63.1-45177.2-67.8163.9000110.9R1013 R1014 Q1015 A1020 D1021R1013-I1017 HydrophobicContact CG-CD1 4.38Å; R1013-I1017 WeakPolarHBondContact O-CD1 3.35Å; R1013-I1017 VanDerWaalsContact O-CG1 3.29Å; R1013-I1017 WeakPolarHBondContact O-CG1 3.33Å; R1013-I1017 PolarHBondContact O-N 3.41Å; R1014-I1017 PolarHBondContact O-N 3.16Å; Q1015-I1017 PolarHBondContact O-N 3.1Å; I1017-A1020 PolarHBondContact O-N 3.09Å; I1017-D1021 WeakPolarHBondContact O-CB 3.37Å; I1017-D1021 PolarHBondContact O-N 3.27Å
1018V90.1Very high90.2Very high14 Ų1478.7 Ų78.79%0.08538%0.382CS..Hα-helixtrans-65.5-40.8179.7174.80000111.1K188 L192 I195 R1014 Q1015 D1021 K1022K188-V1018 HydrophobicContact CB-CG1 4.31Å; K188-V1018 HydrophobicContact CD-CG1 4.19Å; L192-V1018 HydrophobicContact CB-CG1 4.34Å; L192-V1018 HydrophobicContact CD1-CG1 4.11Å; I195-V1018 HydrophobicContact CD1-CG2 4.34Å; R1014-V1018 WeakPolarHBondContact O-CG2 3.36Å; R1014-V1018 PolarHBondContact O-N 3.46Å; Q1015-V1018 PolarHBondContact O-N 3.37Å; V1018-D1021 PolarHBondContact O-N 3.42Å; V1018-K1022 WeakPolarHBondContact O-CB 3.4Å; V1018-K1022 PolarHBondContact O-N 3.01Å
1019L90.8Very high90.1Very high81 Ų8174.6 Ų74.642%0.42437%0.366SS..Hα-helixtrans-62.8-46174.7-77.3169000112L192 Q1015 E1016 D1021 K1022 H1023L192-L1019 HydrophobicContact CD1-CD1 4.35Å; L192-L1019 HydrophobicContact CD1-CD2 3.45Å; L192-L1019 VanDerWaalsContact CD1-CD2 3.45Å; L192-L1019 HydrophobicContact CD1-CG 3.51Å; Q1015-L1019 HydrophobicContact CG-CD1 4.21Å; Q1015-L1019 WeakPolarHBondContact O-CB 3.37Å; Q1015-L1019 WeakPolarHBondContact O-CG 3.31Å; Q1015-L1019 PolarHBondContact O-N 2.96Å; E1016-L1019 PolarHBondContact O-N 3Å; L1019-D1021 VanDerWaalsContact C-N 3.35Å; L1019-D1021 PolarHBondContact O-N 3.29Å; L1019-K1022 PolarHBondContact O-N 3.42Å; L1019-H1023 WeakPolarHBondContact O-CB 3.34Å; L1019-H1023 PolarHBondContact O-N 2.68Å
1020A90.6Very high90.1Very high48 Ų4874.6 Ų74.640%0.39736%0.36SS..Hα-helixtrans-62.1-42178.200000111.9E1016 I1017 H1023 K1024E1016-A1020 WeakPolarHBondContact O-CB 3.41Å; E1016-A1020 PolarHBondContact O-N 2.8Å; I1017-A1020 PolarHBondContact O-N 3.09Å; A1020-H1023 PolarHBondContact O-N 3.36Å; A1020-K1024 WeakPolarHBondContact O-CG 3.42Å; A1020-K1024 PolarHBondContact O-N 3.02Å
1021D89.1Confident90Very high53 Ų5373.2 Ų73.228%0.28336%0.356SS..Hα-helixtrans-63.8-45.2174.5-82.5-1.7000112.1K188 I1017 V1018 L1019 H1023 K1024 I1025K188-D1021 IonicContact NZ-OD2 3.87Å; K188-D1021 PolarHBondContact NZ-OD2 3.26Å; I1017-D1021 WeakPolarHBondContact O-CB 3.37Å; I1017-D1021 PolarHBondContact O-N 3.27Å; V1018-D1021 PolarHBondContact O-N 3.42Å; L1019-D1021 VanDerWaalsContact C-N 3.35Å; L1019-D1021 PolarHBondContact O-N 3.29Å; D1021-H1023 VanDerWaalsContact C-N 3.31Å; D1021-H1023 PolarHBondContact O-N 3.32Å; D1021-K1024 PolarHBondContact O-N 3.01Å; D1021-I1025 WeakPolarHBondContact O-CG1 3.49Å; D1021-I1025 PolarHBondContact O-N 3.05Å
1022K90.1Very high89.7Confident63 Ų6373.2 Ų73.227%0.27436%0.357SS..Hα-helixtrans-58.1-46.8176.6178.8-178.4174.6175.70110.4I185 D189 V1018 L1019 K1024 I1025 Q1026I185-K1022 HydrophobicContact CG2-CD 4.49Å; I185-K1022 HydrophobicContact CG2-CG 4.36Å; D189-K1022 VanDerWaalsContact CG-NZ 3.28Å; D189-K1022 WeakPolarHBondContact OD1-CD 3.49Å; D189-K1022 VanDerWaalsContact OD1-CE 3.3Å; D189-K1022 WeakPolarHBondContact OD1-CE 3.42Å; D189-K1022 IonicContact OD1-NZ 3.27Å; D189-K1022 PolarHBondContact OD1-NZ 2.8Å; D189-K1022 IonicContact OD2-NZ 3.56Å; D189-K1022 PolarHBondContact OD2-NZ 2.65Å; D189-K1022 VanDerWaalsContact OD2-NZ 3.11Å; V1018-K1022 WeakPolarHBondContact O-CB 3.4Å; V1018-K1022 PolarHBondContact O-N 3.01Å; L1019-K1022 PolarHBondContact O-N 3.42Å; K1022-K1024 VanDerWaalsContact C-N 3.34Å; K1022-K1024 PolarHBondContact O-N 2.94Å; K1022-I1025 PolarHBondContact O-N 3.45Å; K1022-Q1026 PolarHBondContact O-N 2.82Å
1023H91.1Very high89.5Confident131 Ų13173.9 Ų73.961%0.60636%0.36SS*.Hα-helixtrans-60.4-43178-170.8-61000111.5L1019 A1020 D1021 I1025 Q1026 T1027L1019-H1023 WeakPolarHBondContact O-CB 3.34Å; L1019-H1023 PolarHBondContact O-N 2.68Å; A1020-H1023 PolarHBondContact O-N 3.36Å; D1021-H1023 VanDerWaalsContact C-N 3.31Å; D1021-H1023 PolarHBondContact O-N 3.32Å; H1023-I1025 VanDerWaalsContact C-N 3.34Å; H1023-I1025 PolarHBondContact O-N 3.44Å; H1023-Q1026 PolarHBondContact O-N 3.32Å; H1023-T1027 PolarHBondContact CE1-OG1 3.5Å; H1023-T1027 PolarHBondContact ND1-OG1 3.16Å; H1023-T1027 PolarHBondContact O-N 3.08Å; H1023-T1027 PolarHBondContact O-OG1 3.33Å
1024K91.1Very high89.3Confident135 Ų13571.5 Ų71.559%0.58736%0.355SS*.Hα-helixtrans-60-43.5175.9-73.2170.8-174171.70112.2A1020 D1021 K1022 Q1026 T1027 V1028A1020-K1024 WeakPolarHBondContact O-CG 3.42Å; A1020-K1024 PolarHBondContact O-N 3.02Å; D1021-K1024 PolarHBondContact O-N 3.01Å; K1022-K1024 VanDerWaalsContact C-N 3.34Å; K1022-K1024 PolarHBondContact O-N 2.94Å; K1024-Q1026 VanDerWaalsContact C-N 3.33Å; K1024-T1027 PolarHBondContact O-N 3.5Å; K1024-V1028 WeakPolarHBondContact O-CG2 3.33Å; K1024-V1028 PolarHBondContact O-N 3.17Å
1025I88.8Confident89Confident37 Ų3771.9 Ų71.919%0.1936%0.356CS..Hα-helixtrans-64.9-41.2177.7-61.1165.5000110.1A181 T184 I185 D1021 K1022 H1023 V1028 I1029A181-I1025 HydrophobicContact CB-CG2 3.99Å; T184-I1025 HydrophobicContact CG2-CD1 3.92Å; I185-I1025 HydrophobicContact CD1-CB 4.39Å; I185-I1025 HydrophobicContact CD1-CG2 3.87Å; I185-I1025 HydrophobicContact CG1-CB 4.15Å; I185-I1025 HydrophobicContact CG1-CG2 3.68Å; D1021-I1025 WeakPolarHBondContact O-CG1 3.49Å; D1021-I1025 PolarHBondContact O-N 3.05Å; K1022-I1025 PolarHBondContact O-N 3.45Å; H1023-I1025 VanDerWaalsContact C-N 3.34Å; H1023-I1025 PolarHBondContact O-N 3.44Å; I1025-V1028 WeakPolarHBondContact O-CB 3.3Å; I1025-V1028 PolarHBondContact O-N 2.88Å; I1025-I1029 HydrophobicContact CG2-CD1 4.33Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.22Å; I1025-I1029 PolarHBondContact O-N 3.2Å
1026Q90.8Very high88.7Confident72 Ų7271.2 Ų71.234%0.33635%0.353SS..Hα-helixtrans-61.4-45.8175.8-171.46146.400111.7K1022 H1023 K1024 V1028 I1029 D1030K1022-Q1026 PolarHBondContact O-N 2.82Å; H1023-Q1026 PolarHBondContact O-N 3.32Å; K1024-Q1026 VanDerWaalsContact C-N 3.33Å; Q1026-V1028 VanDerWaalsContact C-N 3.27Å; Q1026-V1028 PolarHBondContact O-N 2.84Å; Q1026-I1029 WeakPolarHBondContact O-CA 3.49Å; Q1026-I1029 WeakPolarHBondContact O-CB 3.33Å; Q1026-I1029 PolarHBondContact O-N 3.47Å; Q1026-D1030 PolarHBondContact NE2-OD1 3.35Å; Q1026-D1030 PolarHBondContact O-N 2.84Å
1027T90.2Very high88.5Confident53 Ų5369.8 Ų69.833%0.32535%0.346SS..Hα-helixtrans-58.4-39.9175.2-520000111.8H1023 K1024 D1030 D1031H1023-T1027 PolarHBondContact CE1-OG1 3.5Å; H1023-T1027 PolarHBondContact ND1-OG1 3.16Å; H1023-T1027 PolarHBondContact O-N 3.08Å; H1023-T1027 PolarHBondContact O-OG1 3.33Å; K1024-T1027 PolarHBondContact O-N 3.5Å; T1027-D1030 PolarHBondContact O-N 3.32Å; T1027-D1031 WeakPolarHBondContact O-CB 3.38Å; T1027-D1031 PolarHBondContact O-N 3.35Å
1028V85.7Confident88.3Confident80 Ų8071.6 Ų71.649%0.48535%0.353SS..Hα-helixtrans-64.1-40.3174.3171.80000111.4K1024 I1025 Q1026 D1031 L1032K1024-V1028 WeakPolarHBondContact O-CG2 3.33Å; K1024-V1028 PolarHBondContact O-N 3.17Å; I1025-V1028 WeakPolarHBondContact O-CB 3.3Å; I1025-V1028 PolarHBondContact O-N 2.88Å; Q1026-V1028 VanDerWaalsContact C-N 3.27Å; Q1026-V1028 PolarHBondContact O-N 2.84Å; V1028-D1031 PolarHBondContact O-N 2.83Å; V1028-L1032 HydrophobicContact CG1-CD1 3.92Å; V1028-L1032 HydrophobicContact CG1-CG 4.28Å; V1028-L1032 WeakPolarHBondContact O-CB 3.42Å; V1028-L1032 WeakPolarHBondContact O-CG 3.35Å; V1028-L1032 PolarHBondContact O-N 3.48Å
1029I87.9Confident88Confident3 Ų373.5 Ų73.52%0.01536%0.364CS..Hα-helixtrans-62.4-47.4175.6-69170.2000110.4K178 A181 L182 I185 I1025 Q1026 D1031 L1032 D1033K178-I1029 HydrophobicContact CD-CG2 4.22Å; K178-I1029 HydrophobicContact CG-CG2 4.07Å; A181-I1029 HydrophobicContact CB-CD1 3.85Å; A181-I1029 HydrophobicContact CB-CG1 3.8Å; L182-I1029 HydrophobicContact CD2-CD1 4Å; L182-I1029 HydrophobicContact CG-CD1 4.25Å; I185-I1029 HydrophobicContact CD1-CD1 3.53Å; I1025-I1029 HydrophobicContact CG2-CD1 4.33Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.22Å; I1025-I1029 PolarHBondContact O-N 3.2Å; Q1026-I1029 WeakPolarHBondContact O-CA 3.49Å; Q1026-I1029 WeakPolarHBondContact O-CB 3.33Å; Q1026-I1029 PolarHBondContact O-N 3.47Å; I1029-D1031 VanDerWaalsContact C-N 3.31Å; I1029-D1031 PolarHBondContact O-N 3.14Å; I1029-L1032 WeakPolarHBondContact O-CB 3.28Å; I1029-L1032 PolarHBondContact O-N 2.92Å; I1029-L1032 VanDerWaalsContact O-N 3.14Å; I1029-D1033 PolarHBondContact O-N 3.17Å
1030D89.7Confident87.9Confident70 Ų7069.7 Ų69.737%0.37434%0.344SS..Hα-helixtrans-63-39.5-179.5-57.7-19.2000111.2Q1026 T1027 D1033 K1034Q1026-D1030 PolarHBondContact NE2-OD1 3.35Å; Q1026-D1030 PolarHBondContact O-N 2.84Å; T1027-D1030 PolarHBondContact O-N 3.32Å; D1030-D1033 PolarHBondContact O-N 3.47Å; D1030-K1034 WeakPolarHBondContact O-CG 3.33Å; D1030-K1034 PolarHBondContact O-N 2.97Å
1031D87.2Confident87.9Confident75 Ų7570.6 Ų70.640%0.40134%0.342SS..Hα-helixtrans-67-37.3174.4-77.8-10.5000112.4T1027 V1028 I1029 R1035T1027-D1031 WeakPolarHBondContact O-CB 3.38Å; T1027-D1031 PolarHBondContact O-N 3.35Å; V1028-D1031 PolarHBondContact O-N 2.83Å; I1029-D1031 VanDerWaalsContact C-N 3.31Å; I1029-D1031 PolarHBondContact O-N 3.14Å; D1031-R1035 WeakPolarHBondContact O-CB 3.37Å; D1031-R1035 VanDerWaalsContact O-CG 3.29Å; D1031-R1035 WeakPolarHBondContact O-CG 3.34Å; D1031-R1035 PolarHBondContact O-N 3.32Å
1032L84.6Confident87.8Confident27 Ų2771.5 Ų71.514%0.14135%0.353CS..Hα-helixtrans-67.9-39.1174.9-70.9170.7000111.2Y174 K177 V1028 I1029 R1035 K1036Y174-L1032 HydrophobicContact CD1-CB 4.1Å; Y174-L1032 HydrophobicContact CD1-CD2 3.46Å; Y174-L1032 VanDerWaalsContact CD1-CD2 3.46Å; Y174-L1032 HydrophobicContact CD1-CG 4.34Å; Y174-L1032 HydrophobicContact CE1-CD2 3.74Å; K177-L1032 HydrophobicContact CB-CD1 4.47Å; V1028-L1032 HydrophobicContact CG1-CD1 3.92Å; V1028-L1032 HydrophobicContact CG1-CG 4.28Å; V1028-L1032 WeakPolarHBondContact O-CB 3.42Å; V1028-L1032 WeakPolarHBondContact O-CG 3.35Å; V1028-L1032 PolarHBondContact O-N 3.48Å; I1029-L1032 WeakPolarHBondContact O-CB 3.28Å; I1029-L1032 PolarHBondContact O-N 2.92Å; I1029-L1032 VanDerWaalsContact O-N 3.14Å; L1032-R1035 PolarHBondContact O-N 3.24Å; L1032-K1036 VanDerWaalsContact O-CB 3.32Å; L1032-K1036 WeakPolarHBondContact O-CB 3.48Å; L1032-K1036 PolarHBondContact O-N 3.17Å
1033D86.1Confident87.7Confident52 Ų5268.5 Ų68.528%0.27834%0.34SS..Hα-helixtrans-66.8-44.9177-79-23000111.3K178 I1029 D1030 R1035 K1036 E1037K178-D1033 WeakPolarHBondContact CD-OD1 3.34Å; K178-D1033 IonicContact NZ-OD1 2.72Å; K178-D1033 PolarHBondContact NZ-OD1 3.49Å; K178-D1033 IonicContact NZ-OD2 3.49Å; K178-D1033 PolarHBondContact NZ-OD2 3.11Å; I1029-D1033 PolarHBondContact O-N 3.17Å; D1030-D1033 PolarHBondContact O-N 3.47Å; D1033-R1035 PolarHBondContact O-N 3.44Å; D1033-K1036 WeakPolarHBondContact O-CB 3.39Å; D1033-K1036 PolarHBondContact O-N 3.46Å; D1033-E1037 PolarHBondContact O-N 3.18Å
1034K88.2Confident87.7Confident125 Ų12563 Ų6354%0.54331%0.314SS..Hα-helixtrans-59.1-46.6173.7-74.2174.4-176.4171.80112D1030 K1036 E1037 E1038D1030-K1034 WeakPolarHBondContact O-CG 3.33Å; D1030-K1034 PolarHBondContact O-N 2.97Å; K1034-K1036 VanDerWaalsContact C-N 3.32Å; K1034-K1036 PolarHBondContact O-N 2.93Å; K1034-E1037 PolarHBondContact O-N 2.99Å; K1034-E1038 WeakPolarHBondContact O-CG 3.3Å; K1034-E1038 PolarHBondContact O-N 3.3Å
1035R82.8Confident87.8Confident143 Ų14361.2 Ų61.254%0.5431%0.311SS..Hα-helixtrans-64.4-37.1176.4-74.2179.1-177.1-174.93.9112.1Y174 D1031 L1032 D1033 V1039Y174-R1035 HydrophobicContact CE1-CB 4.19Å; D1031-R1035 WeakPolarHBondContact O-CB 3.37Å; D1031-R1035 VanDerWaalsContact O-CG 3.29Å; D1031-R1035 WeakPolarHBondContact O-CG 3.34Å; D1031-R1035 PolarHBondContact O-N 3.32Å; L1032-R1035 PolarHBondContact O-N 3.24Å; D1033-R1035 PolarHBondContact O-N 3.44Å; R1035-V1039 WeakPolarHBondContact O-CB 3.29Å; R1035-V1039 WeakPolarHBondContact O-CG2 3.5Å; R1035-V1039 PolarHBondContact O-N 3.38Å
1036K84.6Confident87.8Confident27 Ų2764.8 Ų64.812%0.11733%0.325CS..Hα-helixtrans-59-51.4173.8176.3-176.4-179.5-1670109.6E166 T171 E175 L1032 D1033 K1034 V1039 L1040E166-K1036 WeakPolarHBondContact OE1-CE 3.4Å; E166-K1036 IonicContact OE1-NZ 2.73Å; E166-K1036 PolarHBondContact OE1-NZ 2.88Å; T171-K1036 HydrophobicContact CG2-CG 4.38Å; E175-K1036 IonicContact OE1-NZ 2.74Å; E175-K1036 PolarHBondContact OE1-NZ 3.44Å; L1032-K1036 VanDerWaalsContact O-CB 3.32Å; L1032-K1036 WeakPolarHBondContact O-CB 3.48Å; L1032-K1036 PolarHBondContact O-N 3.17Å; D1033-K1036 WeakPolarHBondContact O-CB 3.39Å; D1033-K1036 PolarHBondContact O-N 3.46Å; K1034-K1036 VanDerWaalsContact C-N 3.32Å; K1034-K1036 PolarHBondContact O-N 2.93Å; K1036-V1039 PolarHBondContact O-N 3.21Å; K1036-L1040 WeakPolarHBondContact O-CB 2.78Å; K1036-L1040 PolarHBondContact O-N 3.01Å
1037E87.1Confident87.8Confident86 Ų8661.4 Ų61.440%0.40231%0.309SS..Hα-helixtrans-61.2-47.4-179.2-175.6176.1-17400111.8D1033 K1034 V1039 L1040 L1041 L1075D1033-E1037 PolarHBondContact O-N 3.18Å; K1034-E1037 PolarHBondContact O-N 2.99Å; E1037-V1039 PolarHBondContact O-N 2.99Å; E1037-L1040 PolarHBondContact O-N 3.08Å; E1037-L1041 HydrophobicContact CG-CD1 3.81Å; E1037-L1041 HydrophobicContact CG-CG 4.41Å; E1037-L1041 WeakPolarHBondContact O-CB 3.48Å; E1037-L1041 WeakPolarHBondContact O-CG 3.34Å; E1037-L1041 PolarHBondContact O-N 3.35Å; E1037-L1075 HydrophobicContact CG-CD1 4.18Å; E1037-L1075 HydrophobicContact CG-CD2 4.38Å
1038E87Confident88Confident129 Ų12960.8 Ų60.860%0.60330%0.304SS*.Hα-helixtrans-58.8-48.1177-74.2173.3-177.300112.4K1034 L1040 S1042K1034-E1038 WeakPolarHBondContact O-CG 3.3Å; K1034-E1038 PolarHBondContact O-N 3.3Å; E1038-L1040 VanDerWaalsContact C-N 3.33Å; E1038-S1042 VanDerWaalsContact O-CB 3.28Å; E1038-S1042 WeakPolarHBondContact O-CB 3.2Å; E1038-S1042 PolarHBondContact O-N 3.16Å
1039V85.6Confident88.3Confident53 Ų5362.6 Ų62.632%0.32131%0.307SS..Hα-helixtrans-66.1-38.8178.9172.20000110.7A169 T171 R1035 K1036 E1037 A1043A169-V1039 HydrophobicContact CB-CG1 4.21Å; T171-V1039 HydrophobicContact CG2-CB 4.06Å; T171-V1039 HydrophobicContact CG2-CG1 3.67Å; R1035-V1039 WeakPolarHBondContact O-CB 3.29Å; R1035-V1039 WeakPolarHBondContact O-CG2 3.5Å; R1035-V1039 PolarHBondContact O-N 3.38Å; K1036-V1039 PolarHBondContact O-N 3.21Å; E1037-V1039 PolarHBondContact O-N 2.99Å; V1039-A1043 VanDerWaalsContact O-CB 3.25Å; V1039-A1043 WeakPolarHBondContact O-CB 3.39Å; V1039-A1043 PolarHBondContact O-N 3.08Å
1040L88.1Confident88.3Confident1 Ų165.2 Ų65.21%0.00532%0.319CS..Hα-helixtrans-71.3-41.6-179.2-169.464.2000112.3L162 L165 E166 K1036 E1037 E1038 A1043 H1044 L1075L162-L1040 HydrophobicContact CD1-CD1 4.28Å; L162-L1040 HydrophobicContact CD1-CD2 3.83Å; L162-L1040 HydrophobicContact CD1-CG 4.38Å; L165-L1040 HydrophobicContact CD2-CD1 3.84Å; L165-L1040 HydrophobicContact CD2-CG 4.47Å; L165-L1040 HydrophobicContact CG-CD1 4.02Å; E166-L1040 HydrophobicContact CB-CD1 4.42Å; E166-L1040 HydrophobicContact CG-CD1 3.65Å; E166-L1040 HydrophobicContact CG-CD2 4.12Å; K1036-L1040 WeakPolarHBondContact O-CB 2.78Å; K1036-L1040 PolarHBondContact O-N 3.01Å; E1037-L1040 PolarHBondContact O-N 3.08Å; E1038-L1040 VanDerWaalsContact C-N 3.33Å; L1040-A1043 PolarHBondContact O-N 2.92Å; L1040-H1044 VanDerWaalsContact O-CB 3.29Å; L1040-H1044 WeakPolarHBondContact O-CB 3.47Å; L1040-H1044 PolarHBondContact O-N 2.99Å; L1040-L1075 HydrophobicContact CD2-CD2 3.69Å
1041L89.6Confident88.4Confident67 Ų6761.9 Ų61.935%0.35130%0.301SS..Hα-helixtrans-64.5-42.6174.5-76.3167.6000111.3E1037 A1043 H1044 N1045 V1074E1037-L1041 HydrophobicContact CG-CD1 3.81Å; E1037-L1041 HydrophobicContact CG-CG 4.41Å; E1037-L1041 WeakPolarHBondContact O-CB 3.48Å; E1037-L1041 WeakPolarHBondContact O-CG 3.34Å; E1037-L1041 PolarHBondContact O-N 3.35Å; L1041-A1043 VanDerWaalsContact C-N 3.35Å; L1041-H1044 PolarHBondContact O-N 3.45Å; L1041-N1045 WeakPolarHBondContact O-CB 3.28Å; L1041-N1045 VanDerWaalsContact O-CG 3.32Å; L1041-N1045 PolarHBondContact O-N 3.16Å; L1041-N1045 PolarHBondContact O-ND2 2.77Å; L1041-N1045 VanDerWaalsContact O-ND2 3.16Å; L1041-V1074 HydrophobicContact CD2-CB 4.3Å; L1041-V1074 HydrophobicContact CD2-CG2 4.28Å
1042S87.7Confident88.6Confident73 Ų7360.5 Ų60.551%0.5130%0.297SS..Hα-helixtrans-61.1-44.2173.9-176.90000111.6E1038 K1046E1038-S1042 VanDerWaalsContact O-CB 3.28Å; E1038-S1042 WeakPolarHBondContact O-CB 3.2Å; E1038-S1042 PolarHBondContact O-N 3.16Å; S1042-K1046 WeakPolarHBondContact O-CB 3.13Å; S1042-K1046 PolarHBondContact O-N 2.92Å; S1042-K1046 VanDerWaalsContact O-N 3.1Å
1043A87.8Confident88.7Confident0 Ų063 Ų630%031%0.311CS..Hα-helixtrans-63.8-45.2175.700000112.3L165 A169 V1039 L1040 L1041 K1046 V1047 F1114L165-A1043 HydrophobicContact CD1-CB 4.24Å; L165-A1043 HydrophobicContact CG-CB 4.44Å; A169-A1043 HydrophobicContact CB-CB 3.71Å; V1039-A1043 VanDerWaalsContact O-CB 3.25Å; V1039-A1043 WeakPolarHBondContact O-CB 3.39Å; V1039-A1043 PolarHBondContact O-N 3.08Å; L1040-A1043 PolarHBondContact O-N 2.92Å; L1041-A1043 VanDerWaalsContact C-N 3.35Å; A1043-K1046 PolarHBondContact O-N 3.48Å; A1043-V1047 VanDerWaalsContact O-CB 3.28Å; A1043-V1047 WeakPolarHBondContact O-CB 3.49Å; A1043-V1047 VanDerWaalsContact O-CG2 3.23Å; A1043-V1047 WeakPolarHBondContact O-CG2 3.36Å; A1043-V1047 PolarHBondContact O-N 3.08Å; A1043-F1114 HydrophobicContact CB-CE1 3.8Å; A1043-F1114 HydrophobicContact CB-CE2 3.91Å; A1043-F1114 HydrophobicContact CB-CZ 3.36Å
1044H92.4Very high88.8Confident16 Ų1660.8 Ų60.87%0.07430%0.299CS..Hα-helixtrans-57.8-50.9177.5170.9-108.3000111L165 L1040 L1041 K1046 V1047 N1048 L1066 V1074L165-H1044 HydrophobicContact CD2-CB 3.68Å; L1040-H1044 VanDerWaalsContact O-CB 3.29Å; L1040-H1044 WeakPolarHBondContact O-CB 3.47Å; L1040-H1044 PolarHBondContact O-N 2.99Å; L1041-H1044 PolarHBondContact O-N 3.45Å; H1044-K1046 PolarHBondContact O-N 3.48Å; H1044-V1047 PolarHBondContact O-N 3.03Å; H1044-N1048 WeakPolarHBondContact O-CB 3.48Å; H1044-N1048 PolarHBondContact O-N 3.15Å; H1044-L1066 PolarHBondContact NE2-O 3.23Å; H1044-V1074 HydrophobicContact CB-CG1 4.09Å
1045N91.9Very high88.9Confident97 Ų9754.9 Ų54.952%0.51927%0.273SS..Hα-helixtrans-59-47.2179.4-74.6-34.1000111.8L1041 N1048 E1049L1041-N1045 WeakPolarHBondContact O-CB 3.28Å; L1041-N1045 VanDerWaalsContact O-CG 3.32Å; L1041-N1045 PolarHBondContact O-N 3.16Å; L1041-N1045 PolarHBondContact O-ND2 2.77Å; L1041-N1045 VanDerWaalsContact O-ND2 3.16Å; N1045-N1048 PolarHBondContact O-N 3.28Å; N1045-E1049 WeakPolarHBondContact O-CB 3.06Å; N1045-E1049 PolarHBondContact O-N 3.48Å
1046K89.6Confident89Confident112 Ų11249.4 Ų49.449%0.48726%0.261SS..Hα-helixtrans-69.5-43-177.4-162.8169.4-174.6-176.60112.3S1042 A1043 H1044 N1048 E1049 E1050 F1114S1042-K1046 WeakPolarHBondContact O-CB 3.13Å; S1042-K1046 PolarHBondContact O-N 2.92Å; S1042-K1046 VanDerWaalsContact O-N 3.1Å; A1043-K1046 PolarHBondContact O-N 3.48Å; H1044-K1046 PolarHBondContact O-N 3.48Å; K1046-N1048 VanDerWaalsContact C-N 3.34Å; K1046-E1049 PolarHBondContact O-N 2.93Å; K1046-E1050 WeakPolarHBondContact O-CG 3.33Å; K1046-E1050 PolarHBondContact O-N 2.79Å; K1046-E1050 VanDerWaalsContact O-N 3.07Å; K1046-F1114 HydrophobicContact CB-CD2 3.89Å; K1046-F1114 HydrophobicContact CB-CE2 4.04Å; K1046-F1114 HydrophobicContact CD-CD2 3.83Å; K1046-F1114 HydrophobicContact CD-CE2 3.95Å; K1046-F1114 HydrophobicContact CG-CD2 3.99Å; K1046-F1114 HydrophobicContact CG-CE2 4.39Å
1047V91Very high88.9Confident0 Ų052.2 Ų52.20%028%0.281CS..Hα-helixtrans-65.6-39.2175171.20000110.8L165 A1043 H1044 E1050 F1051 L1107 A1110 L1111 F1114L165-V1047 HydrophobicContact CD1-CB 3.87Å; L165-V1047 HydrophobicContact CD1-CG1 4.14Å; L165-V1047 HydrophobicContact CD1-CG2 3.62Å; A1043-V1047 VanDerWaalsContact O-CB 3.28Å; A1043-V1047 WeakPolarHBondContact O-CB 3.49Å; A1043-V1047 VanDerWaalsContact O-CG2 3.23Å; A1043-V1047 WeakPolarHBondContact O-CG2 3.36Å; A1043-V1047 PolarHBondContact O-N 3.08Å; H1044-V1047 PolarHBondContact O-N 3.03Å; V1047-E1050 PolarHBondContact O-N 3.1Å; V1047-F1051 WeakPolarHBondContact O-CB 3.26Å; V1047-F1051 PolarHBondContact O-N 3.02Å; V1047-L1107 HydrophobicContact CG1-CD1 4.21Å; V1047-A1110 HydrophobicContact CG1-CB 4.25Å; V1047-L1111 HydrophobicContact CG1-CD2 3.82Å; V1047-L1111 HydrophobicContact CG1-CG 4.13Å; V1047-L1111 HydrophobicContact CG2-CD2 4.01Å; V1047-F1114 HydrophobicContact CG2-CB 3.51Å; V1047-F1114 HydrophobicContact CG2-CD1 4.13Å; V1047-F1114 HydrophobicContact CG2-CD2 3.97Å; V1047-F1114 HydrophobicContact CG2-CG 3.59Å
1048N92.9Very high88.7Confident40 Ų4048.1 Ų48.121%0.21426%0.262CS..Hα-helixtrans-65.5-40.3177.8-18062.1000112.1H1044 N1045 K1046 F1051 C1052 R1065 L1066H1044-N1048 WeakPolarHBondContact O-CB 3.48Å; H1044-N1048 PolarHBondContact O-N 3.15Å; N1045-N1048 PolarHBondContact O-N 3.28Å; K1046-N1048 VanDerWaalsContact C-N 3.34Å; N1048-F1051 PolarHBondContact O-N 3.27Å; N1048-C1052 WeakPolarHBondContact O-CB 3.29Å; N1048-C1052 PolarHBondContact O-N 2.75Å; N1048-R1065 VanDerWaalsContact OD1-CA 3.24Å; N1048-R1065 WeakPolarHBondContact OD1-CA 3.4Å; N1048-R1065 WeakPolarHBondContact OD1-CB 3.41Å; N1048-L1066 HydrophobicContact CB-CB 4.48Å; N1048-L1066 PolarHBondContact OD1-N 3.47Å
1049E91.8Very high88.5Confident118 Ų11843.1 Ų43.155%0.55124%0.239SC*.Hα-helixtrans-61.6-51.4174-174.1178.8-17900111.3N1045 K1046 F1051 C1052 N1053N1045-E1049 WeakPolarHBondContact O-CB 3.06Å; N1045-E1049 PolarHBondContact O-N 3.48Å; K1046-E1049 PolarHBondContact O-N 2.93Å; E1049-F1051 VanDerWaalsContact C-N 3.3Å; E1049-F1051 PolarHBondContact O-N 3.39Å; E1049-C1052 PolarHBondContact O-N 2.7Å; E1049-N1053 VanDerWaalsContact O-CG 3.23Å; E1049-N1053 PolarHBondContact O-N 3.22Å; E1049-N1053 PolarHBondContact O-ND2 3.44Å
1050E89.3Confident88.3Confident58 Ų5845.8 Ų45.827%0.27126%0.257SS..Hα-helixtrans-63-37.4177.2-67.5-59.9164.700112.2K1046 V1047 N1053 I1054 A1110K1046-E1050 WeakPolarHBondContact O-CG 3.33Å; K1046-E1050 PolarHBondContact O-N 2.79Å; K1046-E1050 VanDerWaalsContact O-N 3.07Å; V1047-E1050 PolarHBondContact O-N 3.1Å; E1050-N1053 PolarHBondContact O-N 2.87Å; E1050-I1054 WeakPolarHBondContact O-CB 3.27Å; E1050-I1054 WeakPolarHBondContact O-CD1 3.48Å; E1050-I1054 VanDerWaalsContact O-CG1 3.26Å; E1050-I1054 WeakPolarHBondContact O-CG1 3.22Å; E1050-I1054 PolarHBondContact O-N 2.75Å; E1050-A1110 HydrophobicContact CB-CB 3.87Å
1051F92.4Very high88.1Confident0 Ų048.9 Ų48.90%029%0.289CS..Hα-helixtrans-62.6-45176.9176.2-136.4000111.5V1047 N1048 E1049 F1055 A1064 L1066 I1080 A1103 L1107 A1110V1047-F1051 WeakPolarHBondContact O-CB 3.26Å; V1047-F1051 PolarHBondContact O-N 3.02Å; N1048-F1051 PolarHBondContact O-N 3.27Å; E1049-F1051 VanDerWaalsContact C-N 3.3Å; E1049-F1051 PolarHBondContact O-N 3.39Å; F1051-F1055 WeakPolarHBondContact O-CB 3.22Å; F1051-F1055 PolarHBondContact O-N 3.41Å; F1051-A1064 HydrophobicContact CD1-CB 4.21Å; F1051-A1064 HydrophobicContact CE1-CB 3.58Å; F1051-A1064 HydrophobicContact CE2-CB 4Å; F1051-A1064 HydrophobicContact CZ-CB 3.46Å; F1051-A1064 VanDerWaalsContact CZ-CB 3.46Å; F1051-L1066 HydrophobicContact CD1-CB 4.4Å; F1051-I1080 HydrophobicContact CE1-CG2 4.07Å; F1051-I1080 HydrophobicContact CZ-CG2 3.76Å; F1051-A1103 VanDerWaalsContact CE2-O 3.27Å; F1051-A1103 WeakPolarHBondContact CE2-O 3.44Å; F1051-L1107 HydrophobicContact CD1-CD1 4.45Å; F1051-L1107 VanDerWaalsContact CD2-CA 3.48Å; F1051-L1107 HydrophobicContact CD2-CB 3.91Å; F1051-L1107 HydrophobicContact CD2-CD1 4.46Å; F1051-L1107 VanDerWaalsContact CD2-N 3.34Å; F1051-L1107 HydrophobicContact CE2-CB 3.77Å; F1051-L1107 HydrophobicContact CG-CD1 4.27Å; F1051-L1107 HydrophobicContact CZ-CB 4.26Å; F1051-A1110 HydrophobicContact CB-CB 3.83Å
1052C89.6Confident88Confident46 Ų4646 Ų4631%0.31128%0.275SS..Hα-helixtrans-61.8-46.2175.3-170.70000111.3N1048 E1049 F1055 G1056 A1064N1048-C1052 WeakPolarHBondContact O-CB 3.29Å; N1048-C1052 PolarHBondContact O-N 2.75Å; E1049-C1052 PolarHBondContact O-N 2.7Å; C1052-F1055 PolarHBondContact O-N 3.26Å; C1052-G1056 PolarHBondContact O-N 3.06Å; C1052-A1064 WeakPolarHBondContact CA-O 3.17Å; C1052-A1064 WeakPolarHBondContact CB-O 3.44Å
1053N88.1Confident88Confident80 Ų8047 Ų4743%0.42827%0.27SS..Hα-helixtrans-64.1-47.5-179.2-69-21.6000112.3E1049 E1050 T1057E1049-N1053 VanDerWaalsContact O-CG 3.23Å; E1049-N1053 PolarHBondContact O-N 3.22Å; E1049-N1053 PolarHBondContact O-ND2 3.44Å; E1050-N1053 PolarHBondContact O-N 2.87Å; N1053-T1057 WeakPolarHBondContact O-CB 3.21Å; N1053-T1057 PolarHBondContact O-N 3.49Å; N1053-T1057 PolarHBondContact O-OG1 3.44Å
1054I88.2Confident88.2Confident6 Ų647 Ų473%0.03127%0.27CS..Hα-helixtrans-63.1-48.4178.2-71.2162.4000110.1E1050 G1056 T1057 L1058 L1109 A1110 L1113 L1140E1050-I1054 WeakPolarHBondContact O-CB 3.27Å; E1050-I1054 WeakPolarHBondContact O-CD1 3.48Å; E1050-I1054 VanDerWaalsContact O-CG1 3.26Å; E1050-I1054 WeakPolarHBondContact O-CG1 3.22Å; E1050-I1054 PolarHBondContact O-N 2.75Å; I1054-G1056 PolarHBondContact O-N 2.95Å; I1054-T1057 PolarHBondContact O-N 3.01Å; I1054-L1058 HydrophobicContact CG2-CD1 3.88Å; I1054-L1058 HydrophobicContact CG2-CG 4.34Å; I1054-L1058 WeakPolarHBondContact O-CG 3.41Å; I1054-L1058 PolarHBondContact O-N 3.03Å; I1054-L1109 HydrophobicContact CD1-CB 3.79Å; I1054-L1109 HydrophobicContact CG2-CB 4.36Å; I1054-L1109 HydrophobicContact CG2-CD1 4.18Å; I1054-A1110 HydrophobicContact CD1-CB 3.97Å; I1054-L1113 HydrophobicContact CD1-CD1 3.69Å; I1054-L1113 HydrophobicContact CG1-CD1 4.36Å; I1054-L1140 HydrophobicContact CG1-CD1 4.45Å; I1054-L1140 HydrophobicContact CG2-CD1 3.8Å
1055F88.9Confident88.1Confident1 Ų151 Ų510%0.00428%0.284CS..Hα-helixtrans-63.6-44.1-177.9-170.5-99.5000111.7F1051 C1052 T1057 L1058 L1059 S1062 A1064 V1082 L1102 A1103F1051-F1055 WeakPolarHBondContact O-CB 3.22Å; F1051-F1055 PolarHBondContact O-N 3.41Å; C1052-F1055 PolarHBondContact O-N 3.26Å; F1055-T1057 VanDerWaalsContact C-N 3.29Å; F1055-T1057 PolarHBondContact O-N 3.4Å; F1055-L1058 PolarHBondContact O-N 2.96Å; F1055-L1059 PolarHBondContact O-N 3.44Å; F1055-S1062 WeakPolarHBondContact CD1-OG 3.49Å; F1055-S1062 WeakPolarHBondContact CE1-OG 3.29Å; F1055-A1064 HydrophobicContact CB-CB 3.81Å; F1055-A1064 HydrophobicContact CD1-CB 3.47Å; F1055-A1064 VanDerWaalsContact CD1-CB 3.47Å; F1055-A1064 HydrophobicContact CD2-CB 4.19Å; F1055-A1064 HydrophobicContact CE1-CB 4.02Å; F1055-A1064 HydrophobicContact CG-CB 3.55Å; F1055-V1082 HydrophobicContact CE1-CG1 3.64Å; F1055-V1082 HydrophobicContact CZ-CG1 3.6Å; F1055-V1082 HydrophobicContact CZ-CG2 4.35Å; F1055-L1102 HydrophobicContact CE2-CB 4.33Å; F1055-A1103 HydrophobicContact CD2-CB 4.35Å; F1055-A1103 HydrophobicContact CE2-CB 3.78Å
1056G85.6Confident88.1Confident28 Ų2846.6 Ų46.629%0.28926%0.261SS..Hα-helixtrans-65.3-30.3176.300000113.7C1052 I1054 L1059C1052-G1056 PolarHBondContact O-N 3.06Å; I1054-G1056 PolarHBondContact O-N 2.95Å; G1056-L1059 CarbonylContact O-C 3.59Å
1057T83.1Confident88.1Confident85 Ų8542 Ų4252%0.52124%0.243SC..Hα-helixtrans-71.5-40.5173.3-58.20000111.5N1053 I1054 F1055N1053-T1057 WeakPolarHBondContact O-CB 3.21Å; N1053-T1057 PolarHBondContact O-N 3.49Å; N1053-T1057 PolarHBondContact O-OG1 3.44Å; I1054-T1057 PolarHBondContact O-N 3.01Å; F1055-T1057 VanDerWaalsContact C-N 3.29Å; F1055-T1057 PolarHBondContact O-N 3.4Å
1058L82.7Confident88.1Confident1 Ų143.9 Ų43.91%0.00526%0.255CS..Hα-helixtrans-74.3-34.7-179-69.8179.5000112.6I1054 F1055 L1102 S1106 N1136 I1137 L1140I1054-L1058 HydrophobicContact CG2-CD1 3.88Å; I1054-L1058 HydrophobicContact CG2-CG 4.34Å; I1054-L1058 WeakPolarHBondContact O-CG 3.41Å; I1054-L1058 PolarHBondContact O-N 3.03Å; F1055-L1058 PolarHBondContact O-N 2.96Å; L1058-L1102 HydrophobicContact CB-CD2 4.05Å; L1058-L1102 HydrophobicContact CD1-CD2 3.96Å; L1058-S1106 WeakPolarHBondContact CD1-OG 3.42Å; L1058-N1136 HydrophobicContact CD2-CB 3.85Å; L1058-I1137 HydrophobicContact CD1-CG1 4.02Å; L1058-I1137 HydrophobicContact CD2-CG1 3.63Å; L1058-I1137 HydrophobicContact CG-CG1 4.5Å; L1058-L1140 HydrophobicContact CD1-CD1 4.39Å; L1058-L1140 HydrophobicContact CD2-CD1 3.89Å; L1058-L1140 HydrophobicContact CG-CD1 4.02Å
1059L83Confident87.9Confident24 Ų2442.8 Ų42.813%0.12625%0.25CS..SBendtrans-133.291.7179.3-158.1151.2000110.3F1055 G1056 S1062 F1084 Q1099 L1102F1055-L1059 PolarHBondContact O-N 3.44Å; G1056-L1059 CarbonylContact O-C 3.59Å; L1059-S1062 WeakPolarHBondContact CD2-OG 3.49Å; L1059-S1062 PolarHBondContact O-N 3.39Å; L1059-S1062 PolarHBondContact O-OG 3.39Å; L1059-F1084 HydrophobicContact CD2-CD1 4.22Å; L1059-F1084 HydrophobicContact CD2-CE1 4.07Å; L1059-Q1099 HydrophobicContact CD1-CG 4.24Å; L1059-L1102 HydrophobicContact CD1-CD1 4.03Å
1060P80.7Confident87.6Confident108 Ų10845.6 Ų45.670%0.70126%0.263SS*.THydrogen-bonded Turntrans-57139.1-177.6-2634.5000113.1S1062P1060-S1062 VanDerWaalsContact C-N 3.31Å
1061G84Confident87.4Confident66 Ų6647.2 Ų47.268%0.6830%0.296SS*.THydrogen-bonded Turntrans81.26.4-178.400000114.9G1085G1061-G1085 PolarHBondContact O-N 2.71Å
1062S87Confident87.2Confident6 Ų652.3 Ų52.34%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-116.1157.817474.50000111.9F1055 L1059 P1060 A1083F1055-S1062 WeakPolarHBondContact CD1-OG 3.49Å; F1055-S1062 WeakPolarHBondContact CE1-OG 3.29Å; L1059-S1062 WeakPolarHBondContact CD2-OG 3.49Å; L1059-S1062 PolarHBondContact O-N 3.39Å; L1059-S1062 PolarHBondContact O-OG 3.39Å; P1060-S1062 VanDerWaalsContact C-N 3.31Å; S1062-A1083 CarbonylContact C-O 3.57Å; S1062-A1083 VanDerWaalsContact CA-O 3.28Å; S1062-A1083 WeakPolarHBondContact CA-O 3.14Å; S1062-A1083 WeakPolarHBondContact CB-O 3.5Å
1063K89.1Confident87.2Confident95 Ų9552.5 Ų52.541%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-130.6145.5178-63.1170.8-174.5159.10108.4V1082 A1083 D1086 W1088K1063-V1082 WeakPolarHBondContact O-CA 3.4Å; K1063-A1083 HydrophobicContact CB-CB 4.43Å; K1063-A1083 PolarHBondContact N-O 3.3Å; K1063-A1083 PolarHBondContact O-N 3.34Å; K1063-D1086 IonicContact NZ-OD1 2.8Å; K1063-D1086 PolarHBondContact NZ-OD1 3.27Å; K1063-W1088 HydrophobicContact CB-CH2 4.2Å
1064A91Very high87.1Confident0 Ų049.5 Ų49.50%031%0.307CS..EExtended strand (participates in β ladder)trans-131.7149.4169.400000109.9F1051 C1052 F1055 K1081 V1082F1051-A1064 HydrophobicContact CD1-CB 4.21Å; F1051-A1064 HydrophobicContact CE1-CB 3.58Å; F1051-A1064 HydrophobicContact CE2-CB 4Å; F1051-A1064 HydrophobicContact CZ-CB 3.46Å; F1051-A1064 VanDerWaalsContact CZ-CB 3.46Å; C1052-A1064 WeakPolarHBondContact CA-O 3.17Å; C1052-A1064 WeakPolarHBondContact CB-O 3.44Å; F1055-A1064 HydrophobicContact CB-CB 3.81Å; F1055-A1064 HydrophobicContact CD1-CB 3.47Å; F1055-A1064 VanDerWaalsContact CD1-CB 3.47Å; F1055-A1064 HydrophobicContact CD2-CB 4.19Å; F1055-A1064 HydrophobicContact CE1-CB 4.02Å; F1055-A1064 HydrophobicContact CG-CB 3.55Å; A1064-K1081 CarbonylContact C-O 3.51Å; A1064-K1081 VanDerWaalsContact CA-O 3.3Å; A1064-K1081 WeakPolarHBondContact CA-O 3.42Å; A1064-V1082 HydrophobicContact CB-CG2 4.38Å
1065R91.3Very high87Confident100 Ų10052.7 Ų52.738%0.37732%0.324SS..EExtended strand (participates in β ladder)trans-144.8154.6174.870.7-176.1175.1173.7-1.3110.9N1048 K1081 W1088N1048-R1065 VanDerWaalsContact OD1-CA 3.24Å; N1048-R1065 WeakPolarHBondContact OD1-CA 3.4Å; N1048-R1065 WeakPolarHBondContact OD1-CB 3.41Å; R1065-K1081 HydrophobicContact CG-CB 4.03Å; R1065-K1081 PolarHBondContact N-O 3.41Å; R1065-K1081 PolarHBondContact O-N 2.91Å; R1065-W1088 HydrophobicContact CB-CH2 4.11Å; R1065-W1088 HydrophobicContact CB-CZ3 4.37Å; R1065-W1088 HydrophobicContact CG-CE3 4.48Å; R1065-W1088 HydrophobicContact CG-CH2 3.64Å; R1065-W1088 HydrophobicContact CG-CZ3 3.62Å
1066L91Very high87Confident5 Ų556.8 Ų56.83%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-102107.1172.1-165.663.7000107.2I161 H1044 N1048 F1051 L1078 I1080 L1107I161-L1066 HydrophobicContact CG2-CD1 3.84Å; H1044-L1066 PolarHBondContact NE2-O 3.23Å; N1048-L1066 HydrophobicContact CB-CB 4.48Å; N1048-L1066 PolarHBondContact OD1-N 3.47Å; F1051-L1066 HydrophobicContact CD1-CB 4.4Å; L1066-L1078 HydrophobicContact CD1-CB 3.94Å; L1066-L1078 HydrophobicContact CD2-CB 4.43Å; L1066-L1078 HydrophobicContact CD2-CD1 3.72Å; L1066-L1078 HydrophobicContact CG-CB 3.95Å; L1066-L1078 HydrophobicContact CG-CD1 4.01Å; L1066-L1078 HydrophobicContact CG-CD2 4.23Å; L1066-L1078 HydrophobicContact CG-CG 4.29Å; L1066-I1080 HydrophobicContact CD1-CG1 4.28Å; L1066-L1107 HydrophobicContact CD1-CD1 4.41Å; L1066-L1107 HydrophobicContact CD1-CD2 4.48Å; L1066-L1107 HydrophobicContact CD2-CD1 4.12Å
1067S89.9Confident87.2Confident16 Ų1655.4 Ų55.411%0.11233%0.332CS..EExtended strand (participates in β ladder)trans-119.4152.5-177.855.60000110.9E1079 K1081S1067-E1079 PolarHBondContact N-O 3.45Å; S1067-E1079 WeakPolarHBondContact O-CG 3.3Å; S1067-E1079 PolarHBondContact O-N 3.46Å; S1067-K1081 WeakPolarHBondContact OG-CD 3.24Å
1068P91.2Very high87.6Confident38 Ų3851.4 Ų51.425%0.24731%0.307CS..PPolyproline II helixtrans-66.4154.6167.629.8-34.3000110.8S1073 V1074 G1077P1068-S1073 WeakPolarHBondContact CB-O 3.3Å; P1068-V1074 HydrophobicContact CG-CG2 4.47Å; P1068-G1077 WeakPolarHBondContact CA-O 3.38Å
1069P88.8Confident88Confident18 Ų1853.8 Ų53.812%0.11732%0.318CS..PPolyproline II helixtrans-56.6159.3170.3-2333.3000112.4P158 G1071 M1072 G1077P158-P1069 HydrophobicContact CB-CG 3.7Å; P158-P1069 HydrophobicContact CG-CG 3.94Å; P1069-G1071 PolarHBondContact O-N 3.27Å; P1069-M1072 HydrophobicContact CB-CB 4.28Å; P1069-M1072 HydrophobicContact CB-CG 4.29Å; P1069-M1072 HydrophobicContact CB-SD 3.89Å; P1069-M1072 HydrophobicContact CG-SD 4.02Å; P1069-M1072 PolarHBondContact O-N 3.2Å; P1069-M1072 VanDerWaalsContact O-N 3.08Å; P1069-G1077 WeakPolarHBondContact CD-O 3.48Å
1070E84.3Confident88.3Confident176 Ų17653.1 Ų53.182%0.82232%0.315SS*.THydrogen-bonded Turntrans-58.8130.2178.7-70.1-170.4169.500112.1M1072E1070-M1072 VanDerWaalsContact C-N 3.26Å; E1070-M1072 PolarHBondContact O-N 3.3Å
1071G85.5Confident88.7Confident93 Ų9349.8 Ų49.896%0.95929%0.289SS*.THydrogen-bonded Turntrans76.84-178.400000115.3P1069P1069-G1071 PolarHBondContact O-N 3.27Å
1072M89.2Confident89Confident107 Ų10746.7 Ų46.753%0.52726%0.257SS..  trans-115.5163.5-177.6-64.2-171.9-178.900112.6P1069 E1070 D1076P1069-M1072 HydrophobicContact CB-CB 4.28Å; P1069-M1072 HydrophobicContact CB-CG 4.29Å; P1069-M1072 HydrophobicContact CB-SD 3.89Å; P1069-M1072 HydrophobicContact CG-SD 4.02Å; P1069-M1072 PolarHBondContact O-N 3.2Å; P1069-M1072 VanDerWaalsContact O-N 3.08Å; E1070-M1072 VanDerWaalsContact C-N 3.26Å; E1070-M1072 PolarHBondContact O-N 3.3Å; M1072-D1076 HydrophobicContact CB-CB 3.95Å; M1072-D1076 HydrophobicContact CG-CB 4.37Å; M1072-D1076 HydrophobicContact SD-CB 4.19Å
1073S88.7Confident89.1Confident49 Ų4946.4 Ų46.434%0.34326%0.255SS..  trans-95.6169.4174.676.80000111.9P1068 L1075 D1076P1068-S1073 WeakPolarHBondContact CB-O 3.3Å; S1073-L1075 PolarHBondContact O-N 3.41Å; S1073-L1075 PolarHBondContact OG-N 2.87Å; S1073-D1076 WeakPolarHBondContact CA-OD2 3.33Å; S1073-D1076 WeakPolarHBondContact CB-OD2 3.2Å; S1073-D1076 PolarHBondContact N-OD2 3.42Å; S1073-D1076 PolarHBondContact O-N 3.34Å; S1073-D1076 VanDerWaalsContact O-N 3.08Å; S1073-D1076 PolarHBondContact OG-OD2 3.29Å
1074V87Confident88.9Confident18 Ų1844.8 Ų44.811%0.10925%0.248CC..THydrogen-bonded Turntrans-58.6-27.6173.6172.50000111.9L162 L1041 H1044 P1068 D1076 L1078L162-V1074 WeakPolarHBondContact CD1-O 3.35Å; L162-V1074 WeakPolarHBondContact CD2-O 3.43Å; L1041-V1074 HydrophobicContact CD2-CB 4.3Å; L1041-V1074 HydrophobicContact CD2-CG2 4.28Å; H1044-V1074 HydrophobicContact CB-CG1 4.09Å; P1068-V1074 HydrophobicContact CG-CG2 4.47Å; V1074-D1076 VanDerWaalsContact C-N 3.29Å; V1074-D1076 PolarHBondContact O-N 3.08Å; V1074-L1078 HydrophobicContact CG1-CD2 4.18Å; V1074-L1078 HydrophobicContact CG2-CD2 4.42Å
1075L85.9Confident88.5Confident73 Ų7346.6 Ų46.638%0.38227%0.267SS..THydrogen-bonded Turntrans-75.3-17.6179.8-61.1168.5000113L162 E1037 L1040 S1073L162-L1075 VanDerWaalsContact CD2-C 3.48Å; L162-L1075 WeakPolarHBondContact CD2-O 3.33Å; E1037-L1075 HydrophobicContact CG-CD1 4.18Å; E1037-L1075 HydrophobicContact CG-CD2 4.38Å; L1040-L1075 HydrophobicContact CD2-CD2 3.69Å; S1073-L1075 PolarHBondContact O-N 3.41Å; S1073-L1075 PolarHBondContact OG-N 2.87Å
1076D87.8Confident88Confident86 Ų8648.4 Ų48.446%0.4628%0.284SS..THydrogen-bonded Turntrans-91.4-26.7-177.6-58.2-56.7000112.1M1072 S1073 V1074M1072-D1076 HydrophobicContact CB-CB 3.95Å; M1072-D1076 HydrophobicContact CG-CB 4.37Å; M1072-D1076 HydrophobicContact SD-CB 4.19Å; S1073-D1076 WeakPolarHBondContact CA-OD2 3.33Å; S1073-D1076 WeakPolarHBondContact CB-OD2 3.2Å; S1073-D1076 PolarHBondContact N-OD2 3.42Å; S1073-D1076 PolarHBondContact O-N 3.34Å; S1073-D1076 VanDerWaalsContact O-N 3.08Å; S1073-D1076 PolarHBondContact OG-OD2 3.29Å; V1074-D1076 VanDerWaalsContact C-N 3.29Å; V1074-D1076 PolarHBondContact O-N 3.08Å
1077G90.3Very high87.6Confident0 Ų052.8 Ų52.80%031%0.311CS..  trans162.2168.2179.300000113.2P158 P1068 P1069P158-G1077 WeakPolarHBondContact O-CA 3.39Å; P1068-G1077 WeakPolarHBondContact CA-O 3.38Å; P1069-G1077 WeakPolarHBondContact CD-O 3.48Å
1078L91.7Very high87.6Confident0 Ų056.6 Ų56.60%032%0.323CS..  trans-134.7140.1177.9-70.1172.7000110.9P158 I161 L162 L165 L1066 V1074P158-L1078 VanDerWaalsContact CA-O 3.25Å; P158-L1078 WeakPolarHBondContact CA-O 3.44Å; P158-L1078 PolarHBondContact O-N 3.32Å; I161-L1078 HydrophobicContact CB-CB 4.45Å; I161-L1078 WeakPolarHBondContact CB-O 3.49Å; I161-L1078 HydrophobicContact CG2-CB 4Å; L162-L1078 HydrophobicContact CB-CG 4.46Å; L162-L1078 HydrophobicContact CD1-CD1 3.93Å; L162-L1078 HydrophobicContact CD1-CG 4.27Å; L165-L1078 HydrophobicContact CB-CD1 4.39Å; L165-L1078 HydrophobicContact CD2-CD1 3.62Å; L1066-L1078 HydrophobicContact CD1-CB 3.94Å; L1066-L1078 HydrophobicContact CD2-CB 4.43Å; L1066-L1078 HydrophobicContact CD2-CD1 3.72Å; L1066-L1078 HydrophobicContact CG-CB 3.95Å; L1066-L1078 HydrophobicContact CG-CD1 4.01Å; L1066-L1078 HydrophobicContact CG-CD2 4.23Å; L1066-L1078 HydrophobicContact CG-CG 4.29Å; V1074-L1078 HydrophobicContact CG1-CD2 4.18Å; V1074-L1078 HydrophobicContact CG2-CD2 4.42Å
1079E90.3Very high87.2Confident52 Ų5258 Ų5824%0.24333%0.325CS..EExtended strand (participates in β ladder)trans-125.9147.417754.1176.1-168.700111.2S1067 K1081S1067-E1079 PolarHBondContact N-O 3.45Å; S1067-E1079 WeakPolarHBondContact O-CG 3.3Å; S1067-E1079 PolarHBondContact O-N 3.46Å; E1079-K1081 WeakPolarHBondContact OE1-CE 3.27Å; E1079-K1081 IonicContact OE1-NZ 3.09Å; E1079-K1081 PolarHBondContact OE1-NZ 2.96Å
1080I90.4Very high86.7Confident10 Ų1066.4 Ų66.45%0.05136%0.363CS..EExtended strand (participates in β ladder)trans-84.2121177.1-59.2169.9000108.1I161 F1051 L1066 V1082 L1092 A1103 L1107I161-I1080 HydrophobicContact CD1-CD1 4.49Å; I161-I1080 HydrophobicContact CD1-CG1 4.33Å; F1051-I1080 HydrophobicContact CE1-CG2 4.07Å; F1051-I1080 HydrophobicContact CZ-CG2 3.76Å; L1066-I1080 HydrophobicContact CD1-CG1 4.28Å; I1080-V1082 HydrophobicContact CG2-CG2 4.14Å; I1080-L1092 HydrophobicContact CB-CD1 4.22Å; I1080-L1092 HydrophobicContact CB-CD2 4.35Å; I1080-L1092 HydrophobicContact CG2-CD2 4.13Å; I1080-A1103 HydrophobicContact CG2-CB 4.48Å; I1080-L1107 HydrophobicContact CD1-CD2 3.71Å; I1080-L1107 HydrophobicContact CG1-CD2 3.99Å
1081K89.2Confident86.4Confident37 Ų3761.1 Ų61.116%0.16135%0.346CS..EExtended strand (participates in β ladder)trans-112.2137.3169.2-68.2-168.3176.2163.80110.2A1064 R1065 S1067 E1079 W1088A1064-K1081 CarbonylContact C-O 3.51Å; A1064-K1081 VanDerWaalsContact CA-O 3.3Å; A1064-K1081 WeakPolarHBondContact CA-O 3.42Å; R1065-K1081 HydrophobicContact CG-CB 4.03Å; R1065-K1081 PolarHBondContact N-O 3.41Å; R1065-K1081 PolarHBondContact O-N 2.91Å; S1067-K1081 WeakPolarHBondContact OG-CD 3.24Å; E1079-K1081 WeakPolarHBondContact OE1-CE 3.27Å; E1079-K1081 IonicContact OE1-NZ 3.09Å; E1079-K1081 PolarHBondContact OE1-NZ 2.96Å; K1081-W1088 HydrophobicContact CB-CE3 3.86Å; K1081-W1088 HydrophobicContact CB-CZ3 4.05Å
1082V90Very high86.1Confident2 Ų258.6 Ų58.61%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-123.6140.5179.2-178.10000109F1055 K1063 A1064 I1080 F1084 K1089 L1092 L1095 A1103F1055-V1082 HydrophobicContact CE1-CG1 3.64Å; F1055-V1082 HydrophobicContact CZ-CG1 3.6Å; F1055-V1082 HydrophobicContact CZ-CG2 4.35Å; K1063-V1082 WeakPolarHBondContact O-CA 3.4Å; A1064-V1082 HydrophobicContact CB-CG2 4.38Å; I1080-V1082 HydrophobicContact CG2-CG2 4.14Å; V1082-F1084 HydrophobicContact CG1-CE1 4.49Å; V1082-F1084 HydrophobicContact CG1-CE2 4.25Å; V1082-F1084 HydrophobicContact CG1-CZ 4.1Å; V1082-K1089 PolarHBondContact O-N 2.95Å; V1082-L1092 HydrophobicContact CG2-CD2 4.24Å; V1082-L1095 HydrophobicContact CB-CD1 4.35Å; V1082-L1095 HydrophobicContact CB-CD2 4.5Å; V1082-L1095 HydrophobicContact CG1-CD2 4.32Å; V1082-L1095 HydrophobicContact CG2-CD1 4.08Å; V1082-A1103 HydrophobicContact CG2-CB 4.14Å
1083A87.7Confident85.5Confident0 Ų056.1 Ų56.10%031%0.312CS..EExtended strand (participates in β ladder)trans-125.7140.4172.200000110.9S1062 K1063 V1087 W1088S1062-A1083 CarbonylContact C-O 3.57Å; S1062-A1083 VanDerWaalsContact CA-O 3.28Å; S1062-A1083 WeakPolarHBondContact CA-O 3.14Å; S1062-A1083 WeakPolarHBondContact CB-O 3.5Å; K1063-A1083 HydrophobicContact CB-CB 4.43Å; K1063-A1083 PolarHBondContact N-O 3.3Å; K1063-A1083 PolarHBondContact O-N 3.34Å; A1083-V1087 VanDerWaalsContact CA-O 3.23Å; A1083-V1087 WeakPolarHBondContact CA-O 3.09Å; A1083-V1087 WeakPolarHBondContact CB-O 3.36Å; A1083-W1088 HydrophobicContact CB-CD2 3.62Å; A1083-W1088 HydrophobicContact CB-CE3 3.63Å; A1083-W1088 HydrophobicContact CB-CG 4.07Å; A1083-W1088 HydrophobicContact CB-CH2 4.24Å; A1083-W1088 HydrophobicContact CB-CZ2 4.25Å; A1083-W1088 HydrophobicContact CB-CZ3 3.94Å
1084F84.9Confident85.1Confident61 Ų6159.2 Ų59.227%0.26832%0.321SS..EExtended strand (participates in β ladder)trans-111.5118.6168.6-58.5-78.1000108L1059 V1082 D1086 V1087 L1095 Q1099L1059-F1084 HydrophobicContact CD2-CD1 4.22Å; L1059-F1084 HydrophobicContact CD2-CE1 4.07Å; V1082-F1084 HydrophobicContact CG1-CE1 4.49Å; V1082-F1084 HydrophobicContact CG1-CE2 4.25Å; V1082-F1084 HydrophobicContact CG1-CZ 4.1Å; F1084-D1086 PolarHBondContact O-N 3.45Å; F1084-V1087 PolarHBondContact N-O 3.06Å; F1084-L1095 HydrophobicContact CE2-CD2 3.28Å; F1084-L1095 HydrophobicContact CZ-CD2 3.43Å; F1084-L1095 VanDerWaalsContact CZ-CD2 3.43Å; F1084-Q1099 HydrophobicContact CZ-CG 4.3Å
1085G82.8Confident84.9Confident38 Ų3858.9 Ų58.939%0.39232%0.318SS..THydrogen-bonded Turntrans65-120.7-163.400000110.8G1061G1061-G1085 PolarHBondContact O-N 2.71Å
1086D80.7Confident84.6Confident137 Ų13758.5 Ų58.573%0.73332%0.322SS*.THydrogen-bonded Turntrans-111.35.7-178-64-44.1000114K1063 F1084K1063-D1086 IonicContact NZ-OD1 2.8Å; K1063-D1086 PolarHBondContact NZ-OD1 3.27Å; F1084-D1086 PolarHBondContact O-N 3.45Å
1087V84.5Confident84.2Confident98 Ų9857 Ų5759%0.59433%0.326SS*.EExtended strand (participates in β ladder)trans-100.6114.7-179.1-175.70000110.7A1083 F1084A1083-V1087 VanDerWaalsContact CA-O 3.23Å; A1083-V1087 WeakPolarHBondContact CA-O 3.09Å; A1083-V1087 WeakPolarHBondContact CB-O 3.36Å; F1084-V1087 PolarHBondContact N-O 3.06Å
1088W87.9Confident83.7Confident95 Ų9557.8 Ų57.836%0.3634%0.335SS..EExtended strand (participates in β ladder)trans-79.4134.4173.4-67.293.9000111.1K1063 R1065 K1081 A1083K1063-W1088 HydrophobicContact CB-CH2 4.2Å; R1065-W1088 HydrophobicContact CB-CH2 4.11Å; R1065-W1088 HydrophobicContact CB-CZ3 4.37Å; R1065-W1088 HydrophobicContact CG-CE3 4.48Å; R1065-W1088 HydrophobicContact CG-CH2 3.64Å; R1065-W1088 HydrophobicContact CG-CZ3 3.62Å; K1081-W1088 HydrophobicContact CB-CE3 3.86Å; K1081-W1088 HydrophobicContact CB-CZ3 4.05Å; A1083-W1088 HydrophobicContact CB-CD2 3.62Å; A1083-W1088 HydrophobicContact CB-CE3 3.63Å; A1083-W1088 HydrophobicContact CB-CG 4.07Å; A1083-W1088 HydrophobicContact CB-CH2 4.24Å; A1083-W1088 HydrophobicContact CB-CZ2 4.25Å; A1083-W1088 HydrophobicContact CB-CZ3 3.94Å
1089K84.6Confident83.4Confident68 Ų6860.3 Ų60.330%0.29635%0.347SS..  trans-85.3136.1176.9-61.8-54.4-157.61550111.1V1082 E1094V1082-K1089 PolarHBondContact O-N 2.95Å; K1089-E1094 WeakPolarHBondContact CD-OE2 3.38Å; K1089-E1094 WeakPolarHBondContact CE-OE2 3.38Å; K1089-E1094 IonicContact NZ-OE2 3.73Å; K1089-E1094 PolarHBondContact NZ-OE2 3.41Å
1090E76.5Confident83.1Confident194 Ų19461 Ų6191%0.90735%0.347SS*.SBendtrans-74-36.1176.5-69.5-170.2172.500112
1091S79Confident82.9Confident66 Ų6660.9 Ų60.946%0.46235%0.347SS..  trans-125.6135.7-179-179.40000112.4G1093 E1094S1091-G1093 PolarHBondContact O-N 3.4Å; S1091-G1093 PolarHBondContact OG-N 3.29Å; S1091-G1093 VanDerWaalsContact OG-N 3.12Å; S1091-E1094 PolarHBondContact O-N 3.42Å
1092L78.9Confident82.7Confident39 Ų3959.1 Ų59.120%0.20434%0.34CS..G310 helixtrans-63.8-14.4169.8-64.9172.7000112.6I1080 V1082 E1094 L1095 R1100I1080-L1092 HydrophobicContact CB-CD1 4.22Å; I1080-L1092 HydrophobicContact CB-CD2 4.35Å; I1080-L1092 HydrophobicContact CG2-CD2 4.13Å; V1082-L1092 HydrophobicContact CG2-CD2 4.24Å; L1092-E1094 PolarHBondContact O-N 2.91Å; L1092-L1095 HydrophobicContact CB-CD1 4.36Å; L1092-L1095 HydrophobicContact CD2-CD1 3.57Å; L1092-L1095 WeakPolarHBondContact O-CB 3.5Å; L1092-L1095 PolarHBondContact O-N 2.68Å; L1092-R1100 WeakPolarHBondContact O-CD 3.22Å
1093G77.3Confident82.6Confident55 Ų5559 Ų5957%0.56734%0.339SS*.G310 helixtrans-66.2-22.5176.700000113.9S1091 L1095S1091-G1093 PolarHBondContact O-N 3.4Å; S1091-G1093 PolarHBondContact OG-N 3.29Å; S1091-G1093 VanDerWaalsContact OG-N 3.12Å; G1093-L1095 VanDerWaalsContact C-N 3.26Å; G1093-L1095 PolarHBondContact O-N 3.28Å
1094E80.3Confident82.6Confident115 Ų11559 Ų5954%0.53734%0.339SS..G310 helixtrans-76.9-11.5176.7-65.4-176.2-15800113.7K1089 S1091 L1092K1089-E1094 WeakPolarHBondContact CD-OE2 3.38Å; K1089-E1094 WeakPolarHBondContact CE-OE2 3.38Å; K1089-E1094 IonicContact NZ-OE2 3.73Å; K1089-E1094 PolarHBondContact NZ-OE2 3.41Å; S1091-E1094 PolarHBondContact O-N 3.42Å; L1092-E1094 PolarHBondContact O-N 2.91Å
1095L81.3Confident82.6Confident11 Ų1156.3 Ų56.36%0.05833%0.327CS..SBendtrans-81.8143-178.8-61.9175.4000110.9V1082 F1084 L1092 G1093 Q1099 R1100V1082-L1095 HydrophobicContact CB-CD1 4.35Å; V1082-L1095 HydrophobicContact CB-CD2 4.5Å; V1082-L1095 HydrophobicContact CG1-CD2 4.32Å; V1082-L1095 HydrophobicContact CG2-CD1 4.08Å; F1084-L1095 HydrophobicContact CE2-CD2 3.28Å; F1084-L1095 HydrophobicContact CZ-CD2 3.43Å; F1084-L1095 VanDerWaalsContact CZ-CD2 3.43Å; L1092-L1095 HydrophobicContact CB-CD1 4.36Å; L1092-L1095 HydrophobicContact CD2-CD1 3.57Å; L1092-L1095 WeakPolarHBondContact O-CB 3.5Å; L1092-L1095 PolarHBondContact O-N 2.68Å; G1093-L1095 VanDerWaalsContact C-N 3.26Å; G1093-L1095 PolarHBondContact O-N 3.28Å; L1095-Q1099 HydrophobicContact CB-CB 4.2Å; L1095-Q1099 HydrophobicContact CD2-CB 4.47Å; L1095-R1100 HydrophobicContact CB-CG 3.44Å; L1095-R1100 VanDerWaalsContact CB-CG 3.44Å; L1095-R1100 HydrophobicContact CD1-CG 4.13Å; L1095-R1100 HydrophobicContact CG-CG 4.4Å
1096S81.3Confident82.8Confident65 Ų6554.5 Ų54.546%0.45531%0.308SS..  trans-62.8155.8171.1820000110.9G1098 Q1099 R1100S1096-G1098 VanDerWaalsContact C-N 3.25Å; S1096-G1098 PolarHBondContact O-N 2.91Å; S1096-Q1099 PolarHBondContact O-N 2.86Å; S1096-Q1099 VanDerWaalsContact OG-CG 3.31Å; S1096-Q1099 WeakPolarHBondContact OG-CG 3.47Å; S1096-Q1099 PolarHBondContact OG-N 3.15Å; S1096-R1100 WeakPolarHBondContact O-CG 3.36Å; S1096-R1100 PolarHBondContact O-N 3.2Å
1097G78.5Confident83.2Confident53 Ų5348.1 Ų48.155%0.54627%0.274SS..Hα-helixtrans-52.6-42.6179.900000113.3R1100 S1101G1097-R1100 PolarHBondContact O-N 3.29Å; G1097-S1101 PolarHBondContact O-N 2.93Å; G1097-S1101 VanDerWaalsContact O-N 3.07Å; G1097-S1101 PolarHBondContact O-OG 3.31Å
1098G80.2Confident83.3Confident18 Ų1844 Ų4419%0.18625%0.249CC..Hα-helixtrans-66.3-40.2176.300000113.6S1096 S1101 L1102S1096-G1098 VanDerWaalsContact C-N 3.25Å; S1096-G1098 PolarHBondContact O-N 2.91Å; G1098-S1101 PolarHBondContact O-N 3.25Å; G1098-L1102 WeakPolarHBondContact O-CG 3.41Å; G1098-L1102 PolarHBondContact O-N 3.25Å
1099Q84.4Confident83.1Confident53 Ų5339.5 Ų39.525%0.24823%0.232CC..Hα-helixtrans-65.8-41176.8-72.9169.4-14.400112.1L1059 F1084 L1095 S1096 L1102 A1103L1059-Q1099 HydrophobicContact CD1-CG 4.24Å; F1084-Q1099 HydrophobicContact CZ-CG 4.3Å; L1095-Q1099 HydrophobicContact CB-CB 4.2Å; L1095-Q1099 HydrophobicContact CD2-CB 4.47Å; S1096-Q1099 PolarHBondContact O-N 2.86Å; S1096-Q1099 VanDerWaalsContact OG-CG 3.31Å; S1096-Q1099 WeakPolarHBondContact OG-CG 3.47Å; S1096-Q1099 PolarHBondContact OG-N 3.15Å; Q1099-L1102 WeakPolarHBondContact O-CB 3.33Å; Q1099-L1102 PolarHBondContact O-N 2.89Å; Q1099-A1103 PolarHBondContact O-N 2.94Å
1100R85.3Confident83.3Confident65 Ų6536.2 Ų36.225%0.24522%0.218CC..Hα-helixtrans-60-48.9173.7-68.6-17758.9-178-2.3110.5L154 N155 L1092 L1095 S1096 G1097 L1102 A1103 A1104L154-R1100 HydrophobicContact CD1-CB 3.68Å; L154-R1100 HydrophobicContact CD2-CB 4.17Å; L154-R1100 VanDerWaalsContact CD2-O 3.31Å; L154-R1100 WeakPolarHBondContact CD2-O 3.45Å; N155-R1100 PolarHBondContact OD1-NH2 3.5Å; L1092-R1100 WeakPolarHBondContact O-CD 3.22Å; L1095-R1100 HydrophobicContact CB-CG 3.44Å; L1095-R1100 VanDerWaalsContact CB-CG 3.44Å; L1095-R1100 HydrophobicContact CD1-CG 4.13Å; L1095-R1100 HydrophobicContact CG-CG 4.4Å; S1096-R1100 WeakPolarHBondContact O-CG 3.36Å; S1096-R1100 PolarHBondContact O-N 3.2Å; G1097-R1100 PolarHBondContact O-N 3.29Å; R1100-L1102 VanDerWaalsContact C-N 3.28Å; R1100-L1102 PolarHBondContact O-N 3.44Å; R1100-A1103 PolarHBondContact O-N 2.92Å; R1100-A1103 VanDerWaalsContact O-N 3.16Å; R1100-A1104 PolarHBondContact O-N 3.38Å
1101S84.6Confident83.7Confident9 Ų927.7 Ų27.76%0.06318%0.178CC..Hα-helixtrans-59.5-39177.6-68.70000112.4G1097 G1098 L1105 A1128G1097-S1101 PolarHBondContact O-N 2.93Å; G1097-S1101 VanDerWaalsContact O-N 3.07Å; G1097-S1101 PolarHBondContact O-OG 3.31Å; G1098-S1101 PolarHBondContact O-N 3.25Å; S1101-L1105 WeakPolarHBondContact O-CB 3.18Å; S1101-L1105 PolarHBondContact O-N 3.39Å; S1101-A1128 WeakPolarHBondContact OG-CB 3.37Å
1102L85.9Confident83.7Confident0 Ų024.7 Ų24.70%016%0.157CC..Hα-helixtrans-62-45.1173.1-84164.4000112.8F1055 L1058 L1059 G1098 Q1099 R1100 L1105 S1106 L1129 H1133 I1137F1055-L1102 HydrophobicContact CE2-CB 4.33Å; L1058-L1102 HydrophobicContact CB-CD2 4.05Å; L1058-L1102 HydrophobicContact CD1-CD2 3.96Å; L1059-L1102 HydrophobicContact CD1-CD1 4.03Å; G1098-L1102 WeakPolarHBondContact O-CG 3.41Å; G1098-L1102 PolarHBondContact O-N 3.25Å; Q1099-L1102 WeakPolarHBondContact O-CB 3.33Å; Q1099-L1102 PolarHBondContact O-N 2.89Å; R1100-L1102 VanDerWaalsContact C-N 3.28Å; R1100-L1102 PolarHBondContact O-N 3.44Å; L1102-L1105 PolarHBondContact O-N 3.31Å; L1102-S1106 VanDerWaalsContact O-CB 3.26Å; L1102-S1106 WeakPolarHBondContact O-CB 3.43Å; L1102-S1106 PolarHBondContact O-N 3.17Å; L1102-S1106 PolarHBondContact O-OG 3.38Å; L1102-L1129 HydrophobicContact CD2-CD2 4.41Å; L1102-L1129 HydrophobicContact CG-CD2 3.87Å; L1102-H1133 HydrophobicContact CD1-CB 4.25Å; L1102-H1133 HydrophobicContact CD2-CB 4.21Å; L1102-I1137 HydrophobicContact CD2-CD1 4.15Å
1103A88Confident83.8Confident0 Ų024.9 Ų24.90%016%0.158CC..Hα-helixtrans-61.8-48.6179.500000111.2F1051 F1055 I1080 V1082 Q1099 R1100 S1106 L1107F1051-A1103 VanDerWaalsContact CE2-O 3.27Å; F1051-A1103 WeakPolarHBondContact CE2-O 3.44Å; F1055-A1103 HydrophobicContact CD2-CB 4.35Å; F1055-A1103 HydrophobicContact CE2-CB 3.78Å; I1080-A1103 HydrophobicContact CG2-CB 4.48Å; V1082-A1103 HydrophobicContact CG2-CB 4.14Å; Q1099-A1103 PolarHBondContact O-N 2.94Å; R1100-A1103 PolarHBondContact O-N 2.92Å; R1100-A1103 VanDerWaalsContact O-N 3.16Å; A1103-S1106 PolarHBondContact O-N 3.47Å; A1103-L1107 PolarHBondContact O-N 3Å
1104A86.7Confident84Confident0 Ų024.5 Ų24.50%014%0.141CC..Hα-helixtrans-65-42.317700000112.6I150 I153 L154 R1100 S1106 L1107 I1108I150-A1104 HydrophobicContact CG2-CB 3.81Å; I153-A1104 HydrophobicContact CG2-CB 4.25Å; L154-A1104 HydrophobicContact CD1-CB 4.15Å; L154-A1104 HydrophobicContact CD2-CB 3.67Å; L154-A1104 HydrophobicContact CG-CB 3.59Å; R1100-A1104 PolarHBondContact O-N 3.38Å; A1104-S1106 VanDerWaalsContact C-N 3.32Å; A1104-S1106 PolarHBondContact O-N 3.03Å; A1104-L1107 PolarHBondContact O-N 3.08Å; A1104-I1108 VanDerWaalsContact O-CG1 3.25Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.16Å; A1104-I1108 PolarHBondContact O-N 3.47Å
1105L85.1Confident83.8Confident3 Ų322.8 Ų22.82%0.01613%0.131CC..Hα-helixtrans-63.7-39.5177.9-174.463.6000111.8I150 S1101 L1102 L1107 I1108 L1109 V1125 L1129 I1137I150-L1105 HydrophobicContact CD1-CD1 4.25Å; S1101-L1105 WeakPolarHBondContact O-CB 3.18Å; S1101-L1105 PolarHBondContact O-N 3.39Å; L1102-L1105 PolarHBondContact O-N 3.31Å; L1105-L1107 VanDerWaalsContact C-N 3.35Å; L1105-I1108 PolarHBondContact O-N 3.49Å; L1105-L1109 HydrophobicContact CG-CD1 4.21Å; L1105-L1109 HydrophobicContact CG-CG 4.49Å; L1105-L1109 VanDerWaalsContact O-CG 3.3Å; L1105-L1109 WeakPolarHBondContact O-CG 3.34Å; L1105-L1109 PolarHBondContact O-N 3.15Å; L1105-V1125 HydrophobicContact CD1-CB 4.44Å; L1105-L1129 HydrophobicContact CD2-CD1 4.06Å; L1105-I1137 HydrophobicContact CD2-CD1 3.38Å; L1105-I1137 HydrophobicContact CD2-CG1 4Å; L1105-I1137 HydrophobicContact CD2-CG2 4.06Å
1106S88Confident83.6Confident0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-62.1-42.8175.9-58.40000111.6L1058 L1102 A1103 A1104 I1108 L1109 A1110L1058-S1106 WeakPolarHBondContact CD1-OG 3.42Å; L1102-S1106 VanDerWaalsContact O-CB 3.26Å; L1102-S1106 WeakPolarHBondContact O-CB 3.43Å; L1102-S1106 PolarHBondContact O-N 3.17Å; L1102-S1106 PolarHBondContact O-OG 3.38Å; A1103-S1106 PolarHBondContact O-N 3.47Å; A1104-S1106 VanDerWaalsContact C-N 3.32Å; A1104-S1106 PolarHBondContact O-N 3.03Å; S1106-I1108 VanDerWaalsContact C-N 3.33Å; S1106-I1108 PolarHBondContact O-N 2.83Å; S1106-L1109 PolarHBondContact O-N 2.95Å; S1106-A1110 WeakPolarHBondContact O-CB 3.49Å; S1106-A1110 PolarHBondContact O-N 2.77Å
1107L89.2Confident83.5Confident3 Ų323 Ų232%0.01613%0.133CC..Hα-helixtrans-62.5-42.7175.217762.1000111.1I153 I161 V1047 F1051 L1066 I1080 A1103 A1104 L1105 A1110 L1111I153-L1107 HydrophobicContact CG2-CD2 4.45Å; I161-L1107 HydrophobicContact CG2-CD2 4.38Å; V1047-L1107 HydrophobicContact CG1-CD1 4.21Å; F1051-L1107 HydrophobicContact CD1-CD1 4.45Å; F1051-L1107 VanDerWaalsContact CD2-CA 3.48Å; F1051-L1107 HydrophobicContact CD2-CB 3.91Å; F1051-L1107 HydrophobicContact CD2-CD1 4.46Å; F1051-L1107 VanDerWaalsContact CD2-N 3.34Å; F1051-L1107 HydrophobicContact CE2-CB 3.77Å; F1051-L1107 HydrophobicContact CG-CD1 4.27Å; F1051-L1107 HydrophobicContact CZ-CB 4.26Å; L1066-L1107 HydrophobicContact CD1-CD1 4.41Å; L1066-L1107 HydrophobicContact CD1-CD2 4.48Å; L1066-L1107 HydrophobicContact CD2-CD1 4.12Å; I1080-L1107 HydrophobicContact CD1-CD2 3.71Å; I1080-L1107 HydrophobicContact CG1-CD2 3.99Å; A1103-L1107 PolarHBondContact O-N 3Å; A1104-L1107 PolarHBondContact O-N 3.08Å; L1105-L1107 VanDerWaalsContact C-N 3.35Å; L1107-A1110 PolarHBondContact O-N 3.43Å; L1107-L1111 HydrophobicContact CG-CD1 4.34Å; L1107-L1111 WeakPolarHBondContact O-CG 3.41Å; L1107-L1111 PolarHBondContact O-N 3.2Å
1108I85.5Confident83.7Confident11 Ų1121.5 Ų21.56%0.05611%0.113CC..Hα-helixtrans-63.7-49.2178.1-57.8158.9000110I145 I150 I153 A1104 L1105 S1106 A1110 L1111 L1112I145-I1108 HydrophobicContact CD1-CB 3.98Å; I145-I1108 HydrophobicContact CD1-CD1 3.87Å; I145-I1108 HydrophobicContact CD1-CG1 4.41Å; I145-I1108 HydrophobicContact CD1-CG2 3.2Å; I145-I1108 HydrophobicContact CG1-CG2 4.03Å; I145-I1108 HydrophobicContact CG2-CD1 4.27Å; I150-I1108 HydrophobicContact CG1-CD1 4.2Å; I153-I1108 HydrophobicContact CD1-CD1 3.44Å; I153-I1108 VanDerWaalsContact CD1-CD1 3.44Å; I153-I1108 HydrophobicContact CD1-CG1 3.57Å; A1104-I1108 VanDerWaalsContact O-CG1 3.25Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.16Å; A1104-I1108 PolarHBondContact O-N 3.47Å; L1105-I1108 PolarHBondContact O-N 3.49Å; S1106-I1108 VanDerWaalsContact C-N 3.33Å; S1106-I1108 PolarHBondContact O-N 2.83Å; I1108-A1110 PolarHBondContact O-N 3.23Å; I1108-L1111 WeakPolarHBondContact O-CA 3.3Å; I1108-L1111 WeakPolarHBondContact O-CB 2.78Å; I1108-L1111 PolarHBondContact O-N 3.47Å; I1108-L1112 HydrophobicContact CG2-CD1 4.31Å; I1108-L1112 HydrophobicContact CG2-CD2 4.45Å; I1108-L1112 HydrophobicContact CG2-CG 4.18Å; I1108-L1112 VanDerWaalsContact O-CG 3.31Å; I1108-L1112 WeakPolarHBondContact O-CG 3.4Å; I1108-L1112 PolarHBondContact O-N 3.44Å
1109L84.8Confident84.1Confident1 Ų120.8 Ų20.81%0.00511%0.105CC..Hα-helixtrans-57-38.3177.6-69.7171.5000112I1054 L1105 S1106 L1112 L1113 L1140 F1145I1054-L1109 HydrophobicContact CD1-CB 3.79Å; I1054-L1109 HydrophobicContact CG2-CB 4.36Å; I1054-L1109 HydrophobicContact CG2-CD1 4.18Å; L1105-L1109 HydrophobicContact CG-CD1 4.21Å; L1105-L1109 HydrophobicContact CG-CG 4.49Å; L1105-L1109 VanDerWaalsContact O-CG 3.3Å; L1105-L1109 WeakPolarHBondContact O-CG 3.34Å; L1105-L1109 PolarHBondContact O-N 3.15Å; S1106-L1109 PolarHBondContact O-N 2.95Å; L1109-L1112 HydrophobicContact CD2-CD1 4.38Å; L1109-L1112 PolarHBondContact O-N 3.27Å; L1109-L1113 PolarHBondContact O-N 3.02Å; L1109-L1140 HydrophobicContact CD1-CD2 4.14Å; L1109-F1145 HydrophobicContact CD2-CE2 3.99Å; L1109-F1145 HydrophobicContact CD2-CZ 4.11Å
1110A87.5Confident84.3Confident0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-63.8-42.6174.900000112.4V1047 E1050 F1051 I1054 S1106 L1107 I1108 L1112 L1113 F1114V1047-A1110 HydrophobicContact CG1-CB 4.25Å; E1050-A1110 HydrophobicContact CB-CB 3.87Å; F1051-A1110 HydrophobicContact CB-CB 3.83Å; I1054-A1110 HydrophobicContact CD1-CB 3.97Å; S1106-A1110 WeakPolarHBondContact O-CB 3.49Å; S1106-A1110 PolarHBondContact O-N 2.77Å; L1107-A1110 PolarHBondContact O-N 3.43Å; I1108-A1110 PolarHBondContact O-N 3.23Å; A1110-L1112 VanDerWaalsContact C-N 3.3Å; A1110-L1112 PolarHBondContact O-N 3.18Å; A1110-L1113 PolarHBondContact O-N 3.08Å; A1110-F1114 PolarHBondContact O-N 3.41Å
1111L85.3Confident84.5Confident14 Ų1415.2 Ų15.27%0.0738%0.082CC..Hα-helixtrans-62.1-38.2172.7-70.4166.2000111.7L164 L165 A168 V1047 L1107 I1108 F1114 K1115L164-L1111 HydrophobicContact CB-CD1 4.29Å; L165-L1111 HydrophobicContact CD1-CD2 3.92Å; A168-L1111 HydrophobicContact CB-CD2 3.96Å; V1047-L1111 HydrophobicContact CG1-CD2 3.82Å; V1047-L1111 HydrophobicContact CG1-CG 4.13Å; V1047-L1111 HydrophobicContact CG2-CD2 4.01Å; L1107-L1111 HydrophobicContact CG-CD1 4.34Å; L1107-L1111 WeakPolarHBondContact O-CG 3.41Å; L1107-L1111 PolarHBondContact O-N 3.2Å; I1108-L1111 WeakPolarHBondContact O-CA 3.3Å; I1108-L1111 WeakPolarHBondContact O-CB 2.78Å; I1108-L1111 PolarHBondContact O-N 3.47Å; L1111-F1114 PolarHBondContact O-N 3.44Å; L1111-K1115 PolarHBondContact O-N 3.34Å
1112L80.1Confident84.7Confident3 Ų314.9 Ų14.92%0.0168%0.08CC..Hα-helixtrans-67.9-37.6176.8-59.2-177.8000112.2H142 I1108 L1109 A1110 K1115 P1116 Y1120 F1145H142-L1112 HydrophobicContact CB-CD2 4.43Å; H142-L1112 VanDerWaalsContact O-CD2 3.23Å; H142-L1112 WeakPolarHBondContact O-CD2 3.31Å; I1108-L1112 HydrophobicContact CG2-CD1 4.31Å; I1108-L1112 HydrophobicContact CG2-CD2 4.45Å; I1108-L1112 HydrophobicContact CG2-CG 4.18Å; I1108-L1112 VanDerWaalsContact O-CG 3.31Å; I1108-L1112 WeakPolarHBondContact O-CG 3.4Å; I1108-L1112 PolarHBondContact O-N 3.44Å; L1109-L1112 HydrophobicContact CD2-CD1 4.38Å; L1109-L1112 PolarHBondContact O-N 3.27Å; A1110-L1112 VanDerWaalsContact C-N 3.3Å; A1110-L1112 PolarHBondContact O-N 3.18Å; L1112-K1115 CarbonylContact O-C 3.17Å; L1112-P1116 WeakPolarHBondContact O-CA 3.11Å; L1112-Y1120 HydrophobicContact CB-CE1 3.85Å; L1112-Y1120 HydrophobicContact CD1-CD1 3.71Å; L1112-Y1120 HydrophobicContact CD1-CE1 3.75Å; L1112-Y1120 HydrophobicContact CD1-CG 4.32Å; L1112-Y1120 HydrophobicContact CD2-CD1 3.77Å; L1112-Y1120 HydrophobicContact CD2-CE1 3.24Å; L1112-Y1120 HydrophobicContact CG-CD1 4.19Å; L1112-Y1120 HydrophobicContact CG-CE1 3.74Å; L1112-Y1120 PolarHBondContact O-OH 3.37Å; L1112-F1145 HydrophobicContact CB-CE1 3.89Å; L1112-F1145 HydrophobicContact CB-CZ 4.14Å
1113L81.3Confident84.9Confident43 Ų4314.9 Ų14.923%0.2258%0.08CC..Hα-helixtrans-68.5-37174.3-73.8178.6000112.3I1054 L1109 A1110 K1115 F1145I1054-L1113 HydrophobicContact CD1-CD1 3.69Å; I1054-L1113 HydrophobicContact CG1-CD1 4.36Å; L1109-L1113 PolarHBondContact O-N 3.02Å; A1110-L1113 PolarHBondContact O-N 3.08Å; L1113-K1115 VanDerWaalsContact C-N 3.33Å; L1113-K1115 PolarHBondContact O-N 3.35Å; L1113-F1145 HydrophobicContact CD2-CD1 4.05Å; L1113-F1145 HydrophobicContact CD2-CE1 3.51Å; L1113-F1145 HydrophobicContact CD2-CE2 4.03Å; L1113-F1145 HydrophobicContact CD2-CZ 3.5Å; L1113-F1145 HydrophobicContact CG-CE1 3.93Å; L1113-F1145 HydrophobicContact CG-CE2 4.33Å; L1113-F1145 HydrophobicContact CG-CZ 3.61Å
1114F81.1Confident84.8Confident48 Ų4816.1 Ų16.121%0.2119%0.085CC..Hα-helixtrans-62.9-41.1177.8176.5-99.7000112.1A168 A169 A1043 K1046 V1047 A1110 L1111A168-F1114 HydrophobicContact CB-CD1 4.45Å; A169-F1114 HydrophobicContact CB-CE1 4.35Å; A1043-F1114 HydrophobicContact CB-CE1 3.8Å; A1043-F1114 HydrophobicContact CB-CE2 3.91Å; A1043-F1114 HydrophobicContact CB-CZ 3.36Å; K1046-F1114 HydrophobicContact CB-CD2 3.89Å; K1046-F1114 HydrophobicContact CB-CE2 4.04Å; K1046-F1114 HydrophobicContact CD-CD2 3.83Å; K1046-F1114 HydrophobicContact CD-CE2 3.95Å; K1046-F1114 HydrophobicContact CG-CD2 3.99Å; K1046-F1114 HydrophobicContact CG-CE2 4.39Å; V1047-F1114 HydrophobicContact CG2-CB 3.51Å; V1047-F1114 HydrophobicContact CG2-CD1 4.13Å; V1047-F1114 HydrophobicContact CG2-CD2 3.97Å; V1047-F1114 HydrophobicContact CG2-CG 3.59Å; A1110-F1114 PolarHBondContact O-N 3.41Å; L1111-F1114 PolarHBondContact O-N 3.44Å
1115K75.9Confident84.6Confident78 Ų7816.5 Ų16.534%0.3399%0.088SC..SBendtrans-127.887175.1-170.6159.1-176.9160.40111.3A168 S170 L1111 L1112 L1113 A1117 Y1120A168-K1115 WeakPolarHBondContact O-CD 2.98Å; S170-K1115 PolarHBondContact OG-NZ 3.47Å; L1111-K1115 PolarHBondContact O-N 3.34Å; L1112-K1115 CarbonylContact O-C 3.17Å; L1113-K1115 VanDerWaalsContact C-N 3.33Å; L1113-K1115 PolarHBondContact O-N 3.35Å; K1115-A1117 PolarHBondContact O-N 3.18Å; K1115-Y1120 PolarHBondContact O-OH 3Å
1116P76.7Confident84.5Confident72 Ų7216.6 Ų16.647%0.4689%0.088SC..  trans-67.4126.8-176.525-31.6000111.2Q135 L1112 Y1120Q135-P1116 PolarHBondContact OE1-O 3.27Å; L1112-P1116 WeakPolarHBondContact O-CA 3.11Å; P1116-Y1120 VanDerWaalsContact CA-OH 3.26Å; P1116-Y1120 WeakPolarHBondContact CA-OH 3.32Å
1117A80.6Confident84.1Confident10 Ų1019.5 Ų19.58%0.08311%0.112CC..  trans-101.4152.9172.500000109.5L136 F143 K1115 L1119 Y1120 S1148L136-A1117 HydrophobicContact CD2-CB 4.26Å; F143-A1117 HydrophobicContact CB-CB 4.25Å; K1115-A1117 PolarHBondContact O-N 3.18Å; A1117-L1119 PolarHBondContact O-N 3.23Å; A1117-Y1120 HydrophobicContact CB-CE1 3.8Å; A1117-Y1120 HydrophobicContact CB-CE2 4.49Å; A1117-Y1120 PolarHBondContact N-OH 3.41Å; A1117-Y1120 WeakPolarHBondContact O-CE2 3.4Å; A1117-S1148 VanDerWaalsContact O-CB 3.22Å; A1117-S1148 WeakPolarHBondContact O-CB 3.42Å; A1117-S1148 PolarHBondContact O-OG 2.84Å
1118P82.2Confident83.6Confident20 Ų2022.1 Ų22.113%0.1313%0.134CC..SBendtrans-69.1-20.4178.626.1-34.1000113.4M1 V134 L136 Q1149M1-P1118 WeakPolarHBondContact O-CB 3.07Å; V134-P1118 VanDerWaalsContact O-CD 3.27Å; V134-P1118 WeakPolarHBondContact O-CD 3.46Å; V134-P1118 WeakPolarHBondContact O-CG 3.25Å; L136-P1118 HydrophobicContact CD1-CG 3.98Å; L136-P1118 HydrophobicContact CD2-CG 4.06Å; L136-P1118 HydrophobicContact CG-CG 3.78Å; P1118-Q1149 WeakPolarHBondContact O-CB 3.4Å; P1118-Q1149 PolarHBondContact O-N 3.45Å
1119L87.9Confident83.4Confident4 Ų422 Ų222%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-137.6138.9-176.4174.167.4000109.5I3 I45 L49 L136 F143 A1117 I1121 Q1149 I1151I3-L1119 HydrophobicContact CD1-CD1 4.13Å; I3-L1119 HydrophobicContact CD1-CD2 3.69Å; I3-L1119 HydrophobicContact CG1-CD2 4.39Å; I45-L1119 HydrophobicContact CG2-CD2 4.31Å; L49-L1119 HydrophobicContact CD1-CD2 4.27Å; L136-L1119 HydrophobicContact CD2-CB 4.16Å; F143-L1119 WeakPolarHBondContact CB-O 3.5Å; A1117-L1119 PolarHBondContact O-N 3.23Å; L1119-I1121 HydrophobicContact CD1-CG1 4.47Å; L1119-I1121 HydrophobicContact CD2-CD1 4.31Å; L1119-I1121 HydrophobicContact CG-CG1 4.33Å; L1119-Q1149 CarbonylContact C-O 3.48Å; L1119-Q1149 VanDerWaalsContact CA-O 3.32Å; L1119-Q1149 WeakPolarHBondContact CA-O 3.37Å; L1119-Q1149 HydrophobicContact CD1-CB 4.26Å; L1119-Q1149 HydrophobicContact CD1-CG 4.24Å; L1119-I1151 HydrophobicContact CD1-CD1 3.75Å; L1119-I1151 HydrophobicContact CD1-CG1 4.03Å
1120Y88.9Confident83.2Confident1 Ų125.4 Ų25.40%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-132.5135.6173.2-67-67.5000110.6F143 L1112 K1115 P1116 A1117 F1145 S1148 Q1149 F1150 I1151F143-Y1120 HydrophobicContact CB-CD1 3.78Å; F143-Y1120 HydrophobicContact CB-CE1 4.1Å; F143-Y1120 CarbonylContact O-C 3.49Å; F143-Y1120 WeakPolarHBondContact O-CA 3.36Å; L1112-Y1120 HydrophobicContact CB-CE1 3.85Å; L1112-Y1120 HydrophobicContact CD1-CD1 3.71Å; L1112-Y1120 HydrophobicContact CD1-CE1 3.75Å; L1112-Y1120 HydrophobicContact CD1-CG 4.32Å; L1112-Y1120 HydrophobicContact CD2-CD1 3.77Å; L1112-Y1120 HydrophobicContact CD2-CE1 3.24Å; L1112-Y1120 HydrophobicContact CG-CD1 4.19Å; L1112-Y1120 HydrophobicContact CG-CE1 3.74Å; L1112-Y1120 PolarHBondContact O-OH 3.37Å; K1115-Y1120 PolarHBondContact O-OH 3Å; P1116-Y1120 VanDerWaalsContact CA-OH 3.26Å; P1116-Y1120 WeakPolarHBondContact CA-OH 3.32Å; A1117-Y1120 HydrophobicContact CB-CE1 3.8Å; A1117-Y1120 HydrophobicContact CB-CE2 4.49Å; A1117-Y1120 PolarHBondContact N-OH 3.41Å; A1117-Y1120 WeakPolarHBondContact O-CE2 3.4Å; Y1120-F1145 HydrophobicContact CE2-CD1 4.04Å; Y1120-F1145 HydrophobicContact CE2-CE1 4.3Å; Y1120-S1148 VanDerWaalsContact CE2-CB 3.42Å; Y1120-S1148 WeakPolarHBondContact CE2-OG 3.3Å; Y1120-Q1149 PolarHBondContact N-O 3.45Å; Y1120-F1150 AromaticContact CD2-CD2 3.94Å; Y1120-F1150 HydrophobicContact CD2-CD2 3.94Å; Y1120-F1150 HydrophobicContact CD2-CE1 4.07Å; Y1120-F1150 AromaticContact CD2-CE2 3.24Å; Y1120-F1150 HydrophobicContact CD2-CE2 3.24Å; Y1120-F1150 AromaticContact CD2-CZ 3.34Å; Y1120-F1150 HydrophobicContact CD2-CZ 3.34Å; Y1120-F1150 AromaticContact CE2-CE2 3.91Å; Y1120-F1150 HydrophobicContact CE2-CE2 3.91Å; Y1120-F1150 AromaticContact CE2-CZ 3.97Å; Y1120-F1150 HydrophobicContact CE2-CZ 3.97Å; Y1120-F1150 HydrophobicContact CG-CE1 4.03Å; Y1120-F1150 HydrophobicContact CG-CE2 4.01Å; Y1120-F1150 AromaticContact CG-CZ 3.75Å; Y1120-F1150 HydrophobicContact CG-CZ 3.75Å; Y1120-F1150 CarbonylContact O-C 3.54Å; Y1120-F1150 WeakPolarHBondContact O-CA 3.43Å; Y1120-I1151 PolarHBondContact O-N 3.3Å
1121I89.3Confident82.9Confident0 Ų030.7 Ų30.70%018%0.18CC..EExtended strand (participates in β ladder)trans-123.9120.4-178.6-61.1172000108.6L42 I45 L49 F143 L144 I145 L1119 I1151L42-I1121 HydrophobicContact CB-CG2 4.06Å; L42-I1121 HydrophobicContact CD1-CG2 3.68Å; L42-I1121 HydrophobicContact CD2-CG2 3.57Å; L42-I1121 HydrophobicContact CG-CG2 3.96Å; I45-I1121 HydrophobicContact CB-CD1 4.16Å; I45-I1121 HydrophobicContact CG2-CD1 3.58Å; L49-I1121 HydrophobicContact CD1-CD1 4.48Å; F143-I1121 PolarHBondContact O-N 3.47Å; L144-I1121 HydrophobicContact CD1-CB 3.62Å; L144-I1121 HydrophobicContact CD1-CD1 4.35Å; L144-I1121 HydrophobicContact CD1-CG2 3.5Å; I145-I1121 PolarHBondContact N-O 3.22Å; L1119-I1121 HydrophobicContact CD1-CG1 4.47Å; L1119-I1121 HydrophobicContact CD2-CD1 4.31Å; L1119-I1121 HydrophobicContact CG-CG1 4.33Å; I1121-I1151 WeakPolarHBondContact CA-O 3.37Å
1122L88.6Confident82.6Confident2 Ų233.4 Ų33.41%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-123115.6-177.5-55.2-178.1000109.3I145 V1125 I1141 F1150 I1151 V1152 V1153I145-L1122 HydrophobicContact CB-CD2 3.68Å; I145-L1122 HydrophobicContact CD1-CD2 3.3Å; I145-L1122 HydrophobicContact CG1-CD2 3.54Å; L1122-V1125 HydrophobicContact CB-CG1 3.94Å; L1122-V1125 HydrophobicContact CB-CG2 3.91Å; L1122-V1125 HydrophobicContact CD1-CG2 4.24Å; L1122-V1125 HydrophobicContact CD2-CG1 4.26Å; L1122-I1141 HydrophobicContact CD1-CD1 4Å; L1122-F1150 HydrophobicContact CD1-CD1 3.83Å; L1122-F1150 HydrophobicContact CD1-CE1 3.98Å; L1122-F1150 HydrophobicContact CG-CD1 4.38Å; L1122-I1151 PolarHBondContact N-O 3.15Å; L1122-V1152 HydrophobicContact CB-CB 4.37Å; L1122-V1152 HydrophobicContact CB-CG1 4.07Å; L1122-V1152 HydrophobicContact CB-CG2 4.05Å; L1122-V1152 HydrophobicContact CD1-CG2 3.86Å; L1122-V1152 HydrophobicContact CG-CG2 4.19Å; L1122-V1152 CarbonylContact O-C 3.42Å; L1122-V1152 WeakPolarHBondContact O-CA 3.32Å; L1122-V1153 PolarHBondContact O-N 3.2Å
1123D89.7Confident82.7Confident0 Ų034.9 Ų34.90%021%0.206CC..EExtended strand (participates in β ladder)trans-105.5108.4179.2-159.49.2000110.4L42 R58 I145 M146 Q147 V1125 V1153L42-D1123 HydrophobicContact CD1-CB 3.59Å; R58-D1123 IonicContact CZ-OD2 2.7Å; R58-D1123 VanDerWaalsContact CZ-OD2 3.31Å; R58-D1123 IonicContact NH1-OD2 2.68Å; R58-D1123 PolarHBondContact NH1-OD2 3.32Å; R58-D1123 IonicContact NH2-OD2 3.99Å; R58-D1123 PolarHBondContact NH2-OD2 3.21Å; I145-D1123 PolarHBondContact O-N 3.45Å; M146-D1123 HydrophobicContact CE-CB 4.48Å; M146-D1123 HydrophobicContact SD-CB 4.33Å; Q147-D1123 WeakPolarHBondContact CA-O 3.35Å; Q147-D1123 PolarHBondContact N-O 3.17Å; D1123-V1125 PolarHBondContact O-N 3.48Å; D1123-V1125 VanDerWaalsContact O-N 3.12Å; D1123-V1153 WeakPolarHBondContact OD1-CB 3.46Å
1124E85.9Confident82.8Confident26 Ų2632.8 Ų32.812%0.12120%0.196CC..SBendtrans53.234.7174.2-59-171.6178.600114.2K38 Q147 D1126 A1127 V1153K38-E1124 WeakPolarHBondContact CE-OE1 3.2Å; K38-E1124 IonicContact NZ-OE1 3.19Å; K38-E1124 PolarHBondContact NZ-OE1 3.2Å; Q147-E1124 HydrophobicContact CB-CB 4.47Å; Q147-E1124 HydrophobicContact CG-CB 4.25Å; Q147-E1124 PolarHBondContact NE2-OE2 3.4Å; Q147-E1124 PolarHBondContact OE1-OE2 3.05Å; E1124-D1126 PolarHBondContact O-N 2.94Å; E1124-A1127 WeakPolarHBondContact O-CB 3.23Å; E1124-A1127 PolarHBondContact O-N 3.18Å; E1124-V1153 WeakPolarHBondContact CA-O 3.49Å; E1124-V1153 HydrophobicContact CG-CG1 3.96Å; E1124-V1153 PolarHBondContact N-O 3.14Å
1125V82.3Confident83Confident8 Ų833.4 Ų33.45%0.04820%0.199CC..THydrogen-bonded Turntrans-64.6-21.1-178.6-69.10000114.1I145 I150 L1105 L1122 D1123I145-V1125 HydrophobicContact CB-CG1 3.99Å; I145-V1125 HydrophobicContact CG2-CG1 3.62Å; I150-V1125 HydrophobicContact CD1-CB 3.64Å; I150-V1125 HydrophobicContact CD1-CG1 3.91Å; I150-V1125 WeakPolarHBondContact CD1-O 3.34Å; L1105-V1125 HydrophobicContact CD1-CB 4.44Å; L1122-V1125 HydrophobicContact CB-CG1 3.94Å; L1122-V1125 HydrophobicContact CB-CG2 3.91Å; L1122-V1125 HydrophobicContact CD1-CG2 4.24Å; L1122-V1125 HydrophobicContact CD2-CG1 4.26Å; D1123-V1125 PolarHBondContact O-N 3.48Å; D1123-V1125 VanDerWaalsContact O-N 3.12Å
1126D83.5Confident83.3Confident4 Ų432.4 Ų32.42%0.02120%0.197CC..THydrogen-bonded Turntrans-98.14.2-176.863.1-23.9000113.4E1124 A1128 L1129 T1134 S1154 K1156 M1159E1124-D1126 PolarHBondContact O-N 2.94Å; D1126-A1128 VanDerWaalsContact C-N 3.3Å; D1126-A1128 PolarHBondContact O-N 3.2Å; D1126-L1129 HydrophobicContact CB-CD1 4.3Å; D1126-L1129 PolarHBondContact O-N 3.3Å; D1126-L1129 VanDerWaalsContact O-N 3.08Å; D1126-T1134 HydrophobicContact CB-CG2 4.05Å; D1126-T1134 WeakPolarHBondContact OD2-CG2 3.3Å; D1126-S1154 PolarHBondContact OD1-OG 3.33Å; D1126-S1154 WeakPolarHBondContact OD2-CB 3.2Å; D1126-S1154 PolarHBondContact OD2-OG 3.43Å; D1126-K1156 WeakPolarHBondContact O-CE 3.34Å; D1126-K1156 PolarHBondContact O-NZ 3.25Å; D1126-M1159 HydrophobicContact CB-CE 3.96Å
1127A80Confident83.7Confident61 Ų6129 Ų2950%0.50418%0.175SC..THydrogen-bonded Turntrans-54.4-41.8-175.300000113.3E1124 K1156E1124-A1127 WeakPolarHBondContact O-CB 3.23Å; E1124-A1127 PolarHBondContact O-N 3.18Å; A1127-K1156 PolarHBondContact O-NZ 3.03Å
1128A78.1Confident84Confident59 Ų5928.5 Ų28.549%0.48817%0.171SC..THydrogen-bonded Turntrans-88-1.6-178.200000115S1101 D1126S1101-A1128 WeakPolarHBondContact OG-CB 3.37Å; D1126-A1128 VanDerWaalsContact C-N 3.3Å; D1126-A1128 PolarHBondContact O-N 3.2Å
1129L80.8Confident84.1Confident7 Ų731.6 Ų31.64%0.03718%0.184CC..SBendtrans-92.7151.7-174.6-57.3-176.9000111.9L1102 L1105 D1126 H1133 I1137 K1156L1102-L1129 HydrophobicContact CD2-CD2 4.41Å; L1102-L1129 HydrophobicContact CG-CD2 3.87Å; L1105-L1129 HydrophobicContact CD2-CD1 4.06Å; D1126-L1129 HydrophobicContact CB-CD1 4.3Å; D1126-L1129 PolarHBondContact O-N 3.3Å; D1126-L1129 VanDerWaalsContact O-N 3.08Å; L1129-H1133 HydrophobicContact CB-CB 4.47Å; L1129-I1137 HydrophobicContact CD1-CD1 3.11Å; L1129-K1156 PolarHBondContact O-NZ 2.94Å
1130D82Confident84Confident74 Ų7431.7 Ų31.740%0.39619%0.185SC..  trans-77.9169.8169.762.245.4000111.8S1132 H1133 T1134D1130-S1132 VanDerWaalsContact C-N 3.33Å; D1130-S1132 PolarHBondContact O-N 3.26Å; D1130-S1132 PolarHBondContact OD1-N 3.06Å; D1130-S1132 PolarHBondContact OD1-OG 3.49Å; D1130-H1133 PolarHBondContact O-N 2.77Å; D1130-H1133 WeakPolarHBondContact OD1-CB 3.09Å; D1130-H1133 IonicContact OD1-CE1 3.13Å; D1130-H1133 IonicContact OD1-CG 3.81Å; D1130-H1133 PolarHBondContact OD1-N 3.12Å; D1130-H1133 IonicContact OD1-ND1 2.71Å; D1130-H1133 PolarHBondContact OD1-ND1 3.19Å; D1130-H1133 IonicContact OD2-CE1 3.6Å; D1130-H1133 PolarHBondContact OD2-CE1 2.84Å; D1130-H1133 IonicContact OD2-CG 2.91Å; D1130-H1133 IonicContact OD2-ND1 3.77Å; D1130-H1133 PolarHBondContact OD2-ND1 3.41Å; D1130-T1134 WeakPolarHBondContact O-CB 3.27Å; D1130-T1134 PolarHBondContact O-N 3.22Å; D1130-T1134 PolarHBondContact O-OG1 2.6Å
1131L79.8Confident83.8Confident111 Ų11131.8 Ų31.858%0.58119%0.185SC*.Hα-helixtrans-60.9-39.2-175.7-173.765.1000112.9T1134 Q1135L1131-T1134 PolarHBondContact O-N 3.48Å; L1131-Q1135 WeakPolarHBondContact O-CB 3.33Å; L1131-Q1135 PolarHBondContact O-N 3.15Å
1132S80.1Confident83.5Confident70 Ų7035.6 Ų35.649%0.4920%0.202SC..Hα-helixtrans-63.5-47.9177.933.60000112.1D1130 Q1135 N1136D1130-S1132 VanDerWaalsContact C-N 3.33Å; D1130-S1132 PolarHBondContact O-N 3.26Å; D1130-S1132 PolarHBondContact OD1-N 3.06Å; D1130-S1132 PolarHBondContact OD1-OG 3.49Å; S1132-Q1135 WeakPolarHBondContact O-CB 3.34Å; S1132-Q1135 PolarHBondContact O-N 3.22Å; S1132-N1136 VanDerWaalsContact O-CG 3.3Å; S1132-N1136 PolarHBondContact O-N 3.36Å; S1132-N1136 PolarHBondContact O-OD1 3.45Å
1133H81.3Confident83.3Confident34 Ų3440.1 Ų40.116%0.15723%0.226CC..Hα-helixtrans-66.9-40.5178.4-66.4132.9000111.3L1102 L1129 D1130 Q1135 N1136 I1137L1102-H1133 HydrophobicContact CD1-CB 4.25Å; L1102-H1133 HydrophobicContact CD2-CB 4.21Å; L1129-H1133 HydrophobicContact CB-CB 4.47Å; D1130-H1133 PolarHBondContact O-N 2.77Å; D1130-H1133 WeakPolarHBondContact OD1-CB 3.09Å; D1130-H1133 IonicContact OD1-CE1 3.13Å; D1130-H1133 IonicContact OD1-CG 3.81Å; D1130-H1133 PolarHBondContact OD1-N 3.12Å; D1130-H1133 IonicContact OD1-ND1 2.71Å; D1130-H1133 PolarHBondContact OD1-ND1 3.19Å; D1130-H1133 IonicContact OD2-CE1 3.6Å; D1130-H1133 PolarHBondContact OD2-CE1 2.84Å; D1130-H1133 IonicContact OD2-CG 2.91Å; D1130-H1133 IonicContact OD2-ND1 3.77Å; D1130-H1133 PolarHBondContact OD2-ND1 3.41Å; H1133-Q1135 VanDerWaalsContact C-N 3.32Å; H1133-Q1135 PolarHBondContact O-N 3.37Å; H1133-N1136 PolarHBondContact O-N 3.38Å; H1133-I1137 WeakPolarHBondContact O-CD1 3.34Å; H1133-I1137 VanDerWaalsContact O-CG1 3.32Å; H1133-I1137 WeakPolarHBondContact O-CG1 3.45Å; H1133-I1137 PolarHBondContact O-N 2.51Å
1134T84.8Confident82.8Confident0 Ų045 Ų450%025%0.248CC..Hα-helixtrans-58.4-43.1173.5-62.50000111.8D1126 D1130 L1131 I1137 G1138 K1156 M1159D1126-T1134 HydrophobicContact CB-CG2 4.05Å; D1126-T1134 WeakPolarHBondContact OD2-CG2 3.3Å; D1130-T1134 WeakPolarHBondContact O-CB 3.27Å; D1130-T1134 PolarHBondContact O-N 3.22Å; D1130-T1134 PolarHBondContact O-OG1 2.6Å; L1131-T1134 PolarHBondContact O-N 3.48Å; T1134-I1137 PolarHBondContact O-N 3.35Å; T1134-G1138 PolarHBondContact O-N 3.15Å; T1134-K1156 HydrophobicContact CG2-CB 3.9Å; T1134-K1156 HydrophobicContact CG2-CD 4.24Å; T1134-M1159 HydrophobicContact CG2-CB 3.71Å; T1134-M1159 HydrophobicContact CG2-CE 4.03Å
1135Q84.5Confident82.5Confident61 Ų6144.2 Ų44.229%0.28525%0.245SC..Hα-helixtrans-62.1-45.5175.9-173.672.817.500111.5L1131 S1132 H1133 I1137 G1138 Q1139 G1158 N1162L1131-Q1135 WeakPolarHBondContact O-CB 3.33Å; L1131-Q1135 PolarHBondContact O-N 3.15Å; S1132-Q1135 WeakPolarHBondContact O-CB 3.34Å; S1132-Q1135 PolarHBondContact O-N 3.22Å; H1133-Q1135 VanDerWaalsContact C-N 3.32Å; H1133-Q1135 PolarHBondContact O-N 3.37Å; Q1135-I1137 VanDerWaalsContact C-N 3.32Å; Q1135-I1137 PolarHBondContact O-N 3.44Å; Q1135-G1138 PolarHBondContact O-N 3.36Å; Q1135-Q1139 WeakPolarHBondContact O-CG 3Å; Q1135-Q1139 PolarHBondContact O-N 3.44Å; Q1135-G1158 PolarHBondContact OE1-O 3.21Å; Q1135-G1158 VanDerWaalsContact OE1-O 3.14Å; Q1135-N1162 PolarHBondContact NE2-ND2 3.13Å
1136N83.2Confident82.4Confident56 Ų5649.5 Ų49.530%0.29927%0.267SS..Hα-helixtrans-61.2-41.3178.8-69.6-9.2000111.5L1058 S1132 H1133 Q1139 L1140L1058-N1136 HydrophobicContact CD2-CB 3.85Å; S1132-N1136 VanDerWaalsContact O-CG 3.3Å; S1132-N1136 PolarHBondContact O-N 3.36Å; S1132-N1136 PolarHBondContact O-OD1 3.45Å; H1133-N1136 PolarHBondContact O-N 3.38Å; N1136-Q1139 PolarHBondContact O-N 3.45Å; N1136-L1140 WeakPolarHBondContact O-CB 3.16Å; N1136-L1140 PolarHBondContact O-N 3.36Å
1137I84.6Confident82.2Confident1 Ų157.1 Ų57.11%0.00530%0.302CS..Hα-helixtrans-66.2-44.1176.1-66.7155.8000111L1058 L1102 L1105 L1129 H1133 T1134 Q1135 Q1139 L1140 I1141 M1159L1058-I1137 HydrophobicContact CD1-CG1 4.02Å; L1058-I1137 HydrophobicContact CD2-CG1 3.63Å; L1058-I1137 HydrophobicContact CG-CG1 4.5Å; L1102-I1137 HydrophobicContact CD2-CD1 4.15Å; L1105-I1137 HydrophobicContact CD2-CD1 3.38Å; L1105-I1137 HydrophobicContact CD2-CG1 4Å; L1105-I1137 HydrophobicContact CD2-CG2 4.06Å; L1129-I1137 HydrophobicContact CD1-CD1 3.11Å; H1133-I1137 WeakPolarHBondContact O-CD1 3.34Å; H1133-I1137 VanDerWaalsContact O-CG1 3.32Å; H1133-I1137 WeakPolarHBondContact O-CG1 3.45Å; H1133-I1137 PolarHBondContact O-N 2.51Å; T1134-I1137 PolarHBondContact O-N 3.35Å; Q1135-I1137 VanDerWaalsContact C-N 3.32Å; Q1135-I1137 PolarHBondContact O-N 3.44Å; I1137-Q1139 VanDerWaalsContact C-N 3.28Å; I1137-Q1139 PolarHBondContact O-N 2.9Å; I1137-L1140 WeakPolarHBondContact O-CB 3.4Å; I1137-L1140 PolarHBondContact O-N 3.01Å; I1137-L1140 VanDerWaalsContact O-N 3.1Å; I1137-I1141 HydrophobicContact CG2-CD1 3.92Å; I1137-I1141 HydrophobicContact CG2-CG1 4.34Å; I1137-I1141 WeakPolarHBondContact O-CG1 3.44Å; I1137-I1141 PolarHBondContact O-N 3.15Å; I1137-M1159 HydrophobicContact CB-CE 4.06Å; I1137-M1159 HydrophobicContact CG2-CE 3.69Å
1138G86.4Confident82.6Confident0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-57.9-42.1176.200000112T1134 Q1135 K1142T1134-G1138 PolarHBondContact O-N 3.15Å; Q1135-G1138 PolarHBondContact O-N 3.36Å; G1138-K1142 WeakPolarHBondContact O-CB 3.09Å; G1138-K1142 PolarHBondContact O-N 3.18Å; G1138-K1142 VanDerWaalsContact O-N 3.16Å
1139Q85.2Confident83.2Confident84 Ų8451.8 Ų51.839%0.39326%0.257SS..Hα-helixtrans-66.7-39.8173.4-71.9-179.6-7.400112.5Q1135 N1136 I1137 K1142 N1143 N1162Q1135-Q1139 WeakPolarHBondContact O-CG 3Å; Q1135-Q1139 PolarHBondContact O-N 3.44Å; N1136-Q1139 PolarHBondContact O-N 3.45Å; I1137-Q1139 VanDerWaalsContact C-N 3.28Å; I1137-Q1139 PolarHBondContact O-N 2.9Å; Q1139-K1142 PolarHBondContact O-N 3.05Å; Q1139-N1143 VanDerWaalsContact O-CB 3.27Å; Q1139-N1143 WeakPolarHBondContact O-CB 3.49Å; Q1139-N1143 PolarHBondContact O-N 2.86Å; Q1139-N1143 PolarHBondContact O-ND2 3.38Å; Q1139-N1162 WeakPolarHBondContact CG-OD1 3.13Å
1140L84.1Confident83.7Confident7 Ų751.4 Ų51.44%0.03726%0.255CS..Hα-helixtrans-61.6-50.4178.6-168.3159.8000110.7I1054 L1058 L1109 N1136 I1137 K1142 N1143 H1144 F1145I1054-L1140 HydrophobicContact CG1-CD1 4.45Å; I1054-L1140 HydrophobicContact CG2-CD1 3.8Å; L1058-L1140 HydrophobicContact CD1-CD1 4.39Å; L1058-L1140 HydrophobicContact CD2-CD1 3.89Å; L1058-L1140 HydrophobicContact CG-CD1 4.02Å; L1109-L1140 HydrophobicContact CD1-CD2 4.14Å; N1136-L1140 WeakPolarHBondContact O-CB 3.16Å; N1136-L1140 PolarHBondContact O-N 3.36Å; I1137-L1140 WeakPolarHBondContact O-CB 3.4Å; I1137-L1140 PolarHBondContact O-N 3.01Å; I1137-L1140 VanDerWaalsContact O-N 3.1Å; L1140-K1142 VanDerWaalsContact C-N 3.33Å; L1140-K1142 PolarHBondContact O-N 3.47Å; L1140-N1143 PolarHBondContact O-N 3.46Å; L1140-H1144 HydrophobicContact CD2-CB 4.26Å; L1140-H1144 WeakPolarHBondContact O-CB 3.26Å; L1140-H1144 PolarHBondContact O-N 3.21Å; L1140-H1144 PolarHBondContact O-ND1 3.05Å; L1140-F1145 HydrophobicContact CD2-CE2 4.04Å
1141I85.4Confident84.3Confident2 Ų247.9 Ų47.91%0.0124%0.237CC..Hα-helixtrans-54.8-51.3176.5-68.6170.9000110F27 L1122 I1137 N1143 F1145 F1150 M1159F27-I1141 HydrophobicContact CD1-CG2 4.08Å; F27-I1141 HydrophobicContact CD2-CG2 4.26Å; F27-I1141 HydrophobicContact CE1-CB 4.39Å; F27-I1141 HydrophobicContact CE1-CG2 4.16Å; F27-I1141 HydrophobicContact CE2-CG2 4.37Å; F27-I1141 HydrophobicContact CG-CG2 4.15Å; F27-I1141 HydrophobicContact CZ-CG2 4.33Å; L1122-I1141 HydrophobicContact CD1-CD1 4Å; I1137-I1141 HydrophobicContact CG2-CD1 3.92Å; I1137-I1141 HydrophobicContact CG2-CG1 4.34Å; I1137-I1141 WeakPolarHBondContact O-CG1 3.44Å; I1137-I1141 PolarHBondContact O-N 3.15Å; I1141-N1143 VanDerWaalsContact C-N 3.31Å; I1141-N1143 PolarHBondContact O-N 3.34Å; I1141-F1145 PolarHBondContact O-N 2.64Å; I1141-F1150 HydrophobicContact CD1-CD1 4.26Å; I1141-F1150 HydrophobicContact CD1-CE1 4.39Å; I1141-F1150 HydrophobicContact CG1-CD1 4.41Å; I1141-F1150 HydrophobicContact CG1-CE1 4.25Å; I1141-F1150 HydrophobicContact CG2-CB 4.06Å; I1141-F1150 HydrophobicContact CG2-CD1 3.66Å; I1141-F1150 HydrophobicContact CG2-CD2 3.85Å; I1141-F1150 HydrophobicContact CG2-CE1 4.04Å; I1141-F1150 HydrophobicContact CG2-CE2 4.25Å; I1141-F1150 HydrophobicContact CG2-CG 3.55Å; I1141-F1150 HydrophobicContact CG2-CZ 4.32Å; I1141-M1159 HydrophobicContact CD1-SD 4.17Å
1142K83.9Confident84.9Confident81 Ų8142.6 Ų42.635%0.35221%0.209SC..Hα-helixtrans-59-39.5-179.5-170.5179-164.3148.30113.3F27 G1138 Q1139 L1140 N1162F27-K1142 HydrophobicContact CD1-CB 4.23Å; G1138-K1142 WeakPolarHBondContact O-CB 3.09Å; G1138-K1142 PolarHBondContact O-N 3.18Å; G1138-K1142 VanDerWaalsContact O-N 3.16Å; Q1139-K1142 PolarHBondContact O-N 3.05Å; L1140-K1142 VanDerWaalsContact C-N 3.33Å; L1140-K1142 PolarHBondContact O-N 3.47Å; K1142-N1162 WeakPolarHBondContact CD-O 3.08Å; K1142-N1162 WeakPolarHBondContact CE-O 3.5Å; K1142-N1162 PolarHBondContact NZ-O 3.16Å
1143N83.7Confident85.4Confident96 Ų9639.3 Ų39.351%0.51319%0.186SC..Hα-helixtrans-87.5-38.2-172.8-70-20.3000113.3Q1139 L1140 I1141 K1146Q1139-N1143 VanDerWaalsContact O-CB 3.27Å; Q1139-N1143 WeakPolarHBondContact O-CB 3.49Å; Q1139-N1143 PolarHBondContact O-N 2.86Å; Q1139-N1143 PolarHBondContact O-ND2 3.38Å; L1140-N1143 PolarHBondContact O-N 3.46Å; I1141-N1143 VanDerWaalsContact C-N 3.31Å; I1141-N1143 PolarHBondContact O-N 3.34Å; N1143-K1146 WeakPolarHBondContact O-CE 3.34Å
1144H78.7Confident85.7Confident103 Ų10337.7 Ų37.748%0.47718%0.178SC..Hα-helixtrans-93.5-27.2-170.6-65.678.7000113.3L1140L1140-H1144 HydrophobicContact CD2-CB 4.26Å; L1140-H1144 WeakPolarHBondContact O-CB 3.26Å; L1140-H1144 PolarHBondContact O-N 3.21Å; L1140-H1144 PolarHBondContact O-ND1 3.05Å
1145F80.3Confident85.7Confident10 Ų1041.6 Ų41.64%0.04420%0.198CC..  trans-109.955.3-174.9-63.4-94.8000113.3L1109 L1112 L1113 Y1120 L1140 I1141 H1147 S1148 F1150L1109-F1145 HydrophobicContact CD2-CE2 3.99Å; L1109-F1145 HydrophobicContact CD2-CZ 4.11Å; L1112-F1145 HydrophobicContact CB-CE1 3.89Å; L1112-F1145 HydrophobicContact CB-CZ 4.14Å; L1113-F1145 HydrophobicContact CD2-CD1 4.05Å; L1113-F1145 HydrophobicContact CD2-CE1 3.51Å; L1113-F1145 HydrophobicContact CD2-CE2 4.03Å; L1113-F1145 HydrophobicContact CD2-CZ 3.5Å; L1113-F1145 HydrophobicContact CG-CE1 3.93Å; L1113-F1145 HydrophobicContact CG-CE2 4.33Å; L1113-F1145 HydrophobicContact CG-CZ 3.61Å; Y1120-F1145 HydrophobicContact CE2-CD1 4.04Å; Y1120-F1145 HydrophobicContact CE2-CE1 4.3Å; L1140-F1145 HydrophobicContact CD2-CE2 4.04Å; I1141-F1145 PolarHBondContact O-N 2.64Å; F1145-H1147 PolarHBondContact O-N 2.56Å; F1145-S1148 PolarHBondContact O-N 3.25Å; F1145-F1150 HydrophobicContact CB-CD2 4.04Å; F1145-F1150 HydrophobicContact CB-CE2 3.25Å; F1145-F1150 HydrophobicContact CB-CZ 3.95Å; F1145-F1150 AromaticContact CD1-CE2 3.68Å; F1145-F1150 HydrophobicContact CD1-CE2 3.68Å; F1145-F1150 AromaticContact CD1-CZ 3.68Å; F1145-F1150 HydrophobicContact CD1-CZ 3.68Å; F1145-F1150 HydrophobicContact CD2-CE2 4.05Å; F1145-F1150 AromaticContact CD2-CZ 3.85Å; F1145-F1150 HydrophobicContact CD2-CZ 3.85Å; F1145-F1150 HydrophobicContact CE1-CE2 4.48Å; F1145-F1150 HydrophobicContact CE1-CZ 4.05Å; F1145-F1150 HydrophobicContact CE2-CZ 4.21Å; F1145-F1150 AromaticContact CG-CE2 3.4Å; F1145-F1150 HydrophobicContact CG-CE2 3.4Å; F1145-F1150 VanDerWaalsContact CG-CE2 3.4Å; F1145-F1150 AromaticContact CG-CZ 3.56Å; F1145-F1150 HydrophobicContact CG-CZ 3.56Å; F1145-F1150 HydrophobicContact CZ-CZ 4.29Å
1146K79.9Confident85.7Confident119 Ų11941.1 Ų41.152%0.51720%0.195SC..THydrogen-bonded Turntrans-68.9-13.8-178.2-66.3-178.2-178.1174.50115Q26 N1143Q26-K1146 PolarHBondContact NE2-O 3.37Å; N1143-K1146 WeakPolarHBondContact O-CE 3.34Å
1147H79.8Confident85.7Confident164 Ų16443 Ų4376%0.75921%0.206SC*.THydrogen-bonded Turntrans-111.28.2-175.9-59.6-63.6000113.4F1145F1145-H1147 PolarHBondContact O-N 2.56Å
1148S87.5Confident85.6Confident6 Ų643 Ų434%0.04221%0.206CC..SBendtrans-131.5138.7-178-59.70000109.9Q26 A1117 Y1120 F1145Q26-S1148 VanDerWaalsContact O-O 3.09Å; A1117-S1148 VanDerWaalsContact O-CB 3.22Å; A1117-S1148 WeakPolarHBondContact O-CB 3.42Å; A1117-S1148 PolarHBondContact O-OG 2.84Å; Y1120-S1148 VanDerWaalsContact CE2-CB 3.42Å; Y1120-S1148 WeakPolarHBondContact CE2-OG 3.3Å; F1145-S1148 PolarHBondContact O-N 3.25Å
1149Q91.2Very high85.6Confident1 Ų143 Ų431%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-83.8117.4176.4-174.8178.351.400110.3I3 D24 P25 Q26 P1118 L1119 Y1120 I1151I3-Q1149 PolarHBondContact O-NE2 2.79Å; D24-Q1149 PolarHBondContact O-NE2 3.42Å; P25-Q1149 VanDerWaalsContact O-CA 3.3Å; P25-Q1149 WeakPolarHBondContact O-CA 2.99Å; P25-Q1149 WeakPolarHBondContact O-CB 3.25Å; P25-Q1149 PolarHBondContact O-N 3.43Å; Q26-Q1149 CarbonylContact O-C 3.21Å; Q26-Q1149 WeakPolarHBondContact O-CA 3.46Å; P1118-Q1149 WeakPolarHBondContact O-CB 3.4Å; P1118-Q1149 PolarHBondContact O-N 3.45Å; L1119-Q1149 CarbonylContact C-O 3.48Å; L1119-Q1149 VanDerWaalsContact CA-O 3.32Å; L1119-Q1149 WeakPolarHBondContact CA-O 3.37Å; L1119-Q1149 HydrophobicContact CD1-CB 4.26Å; L1119-Q1149 HydrophobicContact CD1-CG 4.24Å; Y1120-Q1149 PolarHBondContact N-O 3.45Å; Q1149-I1151 HydrophobicContact CG-CG1 4.47Å
1150F92.2Very high85.5Confident0 Ų040.1 Ų40.10%019%0.192CC..EExtended strand (participates in β ladder)trans-94.7134170.9-80.6-104.2000110.2Q26 F27 N28 Y1120 L1122 I1141 F1145 V1152Q26-F1150 PolarHBondContact O-N 3.32Å; F27-F1150 HydrophobicContact CD2-CB 3.93Å; N28-F1150 WeakPolarHBondContact CA-O 3.18Å; N28-F1150 WeakPolarHBondContact CB-O 3.49Å; N28-F1150 PolarHBondContact N-O 3.03Å; N28-F1150 PolarHBondContact ND2-O 2.71Å; N28-F1150 VanDerWaalsContact ND2-O 3.15Å; Y1120-F1150 AromaticContact CD2-CD2 3.94Å; Y1120-F1150 HydrophobicContact CD2-CD2 3.94Å; Y1120-F1150 HydrophobicContact CD2-CE1 4.07Å; Y1120-F1150 AromaticContact CD2-CE2 3.24Å; Y1120-F1150 HydrophobicContact CD2-CE2 3.24Å; Y1120-F1150 AromaticContact CD2-CZ 3.34Å; Y1120-F1150 HydrophobicContact CD2-CZ 3.34Å; Y1120-F1150 AromaticContact CE2-CE2 3.91Å; Y1120-F1150 HydrophobicContact CE2-CE2 3.91Å; Y1120-F1150 AromaticContact CE2-CZ 3.97Å; Y1120-F1150 HydrophobicContact CE2-CZ 3.97Å; Y1120-F1150 HydrophobicContact CG-CE1 4.03Å; Y1120-F1150 HydrophobicContact CG-CE2 4.01Å; Y1120-F1150 AromaticContact CG-CZ 3.75Å; Y1120-F1150 HydrophobicContact CG-CZ 3.75Å; Y1120-F1150 CarbonylContact O-C 3.54Å; Y1120-F1150 WeakPolarHBondContact O-CA 3.43Å; L1122-F1150 HydrophobicContact CD1-CD1 3.83Å; L1122-F1150 HydrophobicContact CD1-CE1 3.98Å; L1122-F1150 HydrophobicContact CG-CD1 4.38Å; I1141-F1150 HydrophobicContact CD1-CD1 4.26Å; I1141-F1150 HydrophobicContact CD1-CE1 4.39Å; I1141-F1150 HydrophobicContact CG1-CD1 4.41Å; I1141-F1150 HydrophobicContact CG1-CE1 4.25Å; I1141-F1150 HydrophobicContact CG2-CB 4.06Å; I1141-F1150 HydrophobicContact CG2-CD1 3.66Å; I1141-F1150 HydrophobicContact CG2-CD2 3.85Å; I1141-F1150 HydrophobicContact CG2-CE1 4.04Å; I1141-F1150 HydrophobicContact CG2-CE2 4.25Å; I1141-F1150 HydrophobicContact CG2-CG 3.55Å; I1141-F1150 HydrophobicContact CG2-CZ 4.32Å; F1145-F1150 HydrophobicContact CB-CD2 4.04Å; F1145-F1150 HydrophobicContact CB-CE2 3.25Å; F1145-F1150 HydrophobicContact CB-CZ 3.95Å; F1145-F1150 AromaticContact CD1-CE2 3.68Å; F1145-F1150 HydrophobicContact CD1-CE2 3.68Å; F1145-F1150 AromaticContact CD1-CZ 3.68Å; F1145-F1150 HydrophobicContact CD1-CZ 3.68Å; F1145-F1150 HydrophobicContact CD2-CE2 4.05Å; F1145-F1150 AromaticContact CD2-CZ 3.85Å; F1145-F1150 HydrophobicContact CD2-CZ 3.85Å; F1145-F1150 HydrophobicContact CE1-CE2 4.48Å; F1145-F1150 HydrophobicContact CE1-CZ 4.05Å; F1145-F1150 HydrophobicContact CE2-CZ 4.21Å; F1145-F1150 AromaticContact CG-CE2 3.4Å; F1145-F1150 HydrophobicContact CG-CE2 3.4Å; F1145-F1150 VanDerWaalsContact CG-CE2 3.4Å; F1145-F1150 AromaticContact CG-CZ 3.56Å; F1145-F1150 HydrophobicContact CG-CZ 3.56Å; F1145-F1150 HydrophobicContact CZ-CZ 4.29Å; F1150-V1152 HydrophobicContact CB-CG2 4.17Å; F1150-V1152 HydrophobicContact CD1-CG2 4.37Å
1151I93.3Very high85.6Confident0 Ų044.2 Ų44.20%021%0.214CC..EExtended strand (participates in β ladder)trans-123.2105.5168.6-54.3179000107.3I3 F23 N28 I30 L42 I45 L1119 Y1120 I1121 L1122 Q1149I3-I1151 HydrophobicContact CD1-CD1 4.11Å; F23-I1151 HydrophobicContact CD1-CD1 4.12Å; F23-I1151 HydrophobicContact CD1-CG1 4.42Å; F23-I1151 HydrophobicContact CE1-CD1 3.79Å; F23-I1151 HydrophobicContact CE1-CG1 4.28Å; F23-I1151 HydrophobicContact CE1-CG2 4.48Å; N28-I1151 HydrophobicContact CB-CG1 4.41Å; N28-I1151 WeakPolarHBondContact O-CA 3.28Å; I30-I1151 HydrophobicContact CD1-CG2 3.65Å; I30-I1151 HydrophobicContact CG1-CG2 4.27Å; L42-I1151 HydrophobicContact CD2-CB 4.41Å; L42-I1151 HydrophobicContact CD2-CG2 3.6Å; I45-I1151 HydrophobicContact CD1-CD1 3.67Å; L1119-I1151 HydrophobicContact CD1-CD1 3.75Å; L1119-I1151 HydrophobicContact CD1-CG1 4.03Å; Y1120-I1151 PolarHBondContact O-N 3.3Å; I1121-I1151 WeakPolarHBondContact CA-O 3.37Å; L1122-I1151 PolarHBondContact N-O 3.15Å; Q1149-I1151 HydrophobicContact CG-CG1 4.47Å
1152V92.2Very high85.6Confident0 Ų044.7 Ų44.70%022%0.217CC..EExtended strand (participates in β ladder)trans-115.9122.6-170.8-175.40000110.5F27 N28 A29 I30 L1122 F1150 M1159F27-V1152 HydrophobicContact CD2-CG2 4.31Å; F27-V1152 HydrophobicContact CE2-CB 4.07Å; F27-V1152 HydrophobicContact CE2-CG2 3.61Å; F27-V1152 HydrophobicContact CZ-CG2 4.49Å; N28-V1152 PolarHBondContact O-N 2.62Å; A29-V1152 CarbonylContact C-O 3.45Å; A29-V1152 VanDerWaalsContact CA-O 3.24Å; A29-V1152 WeakPolarHBondContact CA-O 3.42Å; I30-V1152 PolarHBondContact N-O 2.81Å; L1122-V1152 HydrophobicContact CB-CB 4.37Å; L1122-V1152 HydrophobicContact CB-CG1 4.07Å; L1122-V1152 HydrophobicContact CB-CG2 4.05Å; L1122-V1152 HydrophobicContact CD1-CG2 3.86Å; L1122-V1152 HydrophobicContact CG-CG2 4.19Å; L1122-V1152 CarbonylContact O-C 3.42Å; L1122-V1152 WeakPolarHBondContact O-CA 3.32Å; F1150-V1152 HydrophobicContact CB-CG2 4.17Å; F1150-V1152 HydrophobicContact CD1-CG2 4.37Å; V1152-M1159 HydrophobicContact CG1-CG 3.91Å; V1152-M1159 HydrophobicContact CG1-SD 4.33Å
1153V91.5Very high85.9Confident0 Ų041 Ų410%020%0.201CC..EExtended strand (participates in β ladder)trans-87.4121.9166173.30000108.4I30 K38 L42 L1122 D1123 E1124I30-V1153 HydrophobicContact CB-CG2 3.92Å; I30-V1153 HydrophobicContact CD1-CG2 4.34Å; I30-V1153 HydrophobicContact CG2-CG2 4.27Å; I30-V1153 WeakPolarHBondContact O-CA 3.27Å; K38-V1153 HydrophobicContact CB-CG1 4.29Å; K38-V1153 HydrophobicContact CD-CG1 3.96Å; K38-V1153 HydrophobicContact CG-CG1 4.33Å; L42-V1153 HydrophobicContact CD1-CB 4.1Å; L42-V1153 HydrophobicContact CD1-CG2 3.4Å; L42-V1153 HydrophobicContact CD2-CG2 4.24Å; L42-V1153 HydrophobicContact CG-CG2 3.68Å; L1122-V1153 PolarHBondContact O-N 3.2Å; D1123-V1153 WeakPolarHBondContact OD1-CB 3.46Å; E1124-V1153 WeakPolarHBondContact CA-O 3.49Å; E1124-V1153 HydrophobicContact CG-CG1 3.96Å; E1124-V1153 PolarHBondContact N-O 3.14Å
1154S88Confident86.3Confident0 Ų038.3 Ų38.30%019%0.187CC..  trans-147148.5176.41690000111.5I30 T31 D1126 K1156 M1159I30-S1154 PolarHBondContact O-N 3.14Å; I30-S1154 VanDerWaalsContact O-N 3.13Å; T31-S1154 WeakPolarHBondContact CB-O 3.49Å; T31-S1154 PolarHBondContact OG1-O 3.46Å; D1126-S1154 PolarHBondContact OD1-OG 3.33Å; D1126-S1154 WeakPolarHBondContact OD2-CB 3.2Å; D1126-S1154 PolarHBondContact OD2-OG 3.43Å; S1154-K1156 PolarHBondContact OG-N 3.36Å; S1154-K1156 PolarHBondContact OG-O 2.79Å; S1154-M1159 WeakPolarHBondContact OG-CB 3.35Å
1155L83.8Confident86.9Confident82 Ų8233.6 Ų33.643%0.42917%0.165SC..SBendtrans-101.12.7173.7-60.5177.6000112.6G32 K38G32-L1155 WeakPolarHBondContact O-CD2 3.36Å; K38-L1155 HydrophobicContact CD-CD2 4.25Å
1156K84.7Confident87.5Confident51 Ų5133.6 Ų33.622%0.22217%0.166CC..  trans-111.7127.1-172.9-66.3-177.7179.3173.10111.6D1126 A1127 L1129 T1134 S1154 G1158 M1159 F1160D1126-K1156 WeakPolarHBondContact O-CE 3.34Å; D1126-K1156 PolarHBondContact O-NZ 3.25Å; A1127-K1156 PolarHBondContact O-NZ 3.03Å; L1129-K1156 PolarHBondContact O-NZ 2.94Å; T1134-K1156 HydrophobicContact CG2-CB 3.9Å; T1134-K1156 HydrophobicContact CG2-CD 4.24Å; S1154-K1156 PolarHBondContact OG-N 3.36Å; S1154-K1156 PolarHBondContact OG-O 2.79Å; K1156-G1158 PolarHBondContact O-N 3.38Å; K1156-G1158 VanDerWaalsContact O-N 3.11Å; K1156-M1159 PolarHBondContact O-N 2.79Å; K1156-F1160 VanDerWaalsContact C-CE1 3.43Å; K1156-F1160 WeakPolarHBondContact O-CD1 3.07Å; K1156-F1160 PolarHBondContact O-N 3.21Å
1157D83.3Confident88.2Confident96 Ų9628.1 Ų28.151%0.51314%0.142SC..Hα-helixtrans-50.6-39.3179.6-64.25.1000112.5M1159 F1160 N1161D1157-M1159 PolarHBondContact O-N 3.41Å; D1157-F1160 VanDerWaalsContact CA-CE1 3.42Å; D1157-F1160 VanDerWaalsContact CA-CZ 3.44Å; D1157-F1160 HydrophobicContact CB-CE1 4.38Å; D1157-F1160 HydrophobicContact CB-CE2 4.43Å; D1157-F1160 HydrophobicContact CB-CZ 4.02Å; D1157-F1160 PolarHBondContact O-N 3.16Å; D1157-F1160 WeakPolarHBondContact OD1-CE1 3.36Å; D1157-F1160 WeakPolarHBondContact OD1-CZ 3.5Å; D1157-N1161 WeakPolarHBondContact O-CB 3.16Å; D1157-N1161 PolarHBondContact O-N 3.36Å; D1157-N1161 PolarHBondContact O-ND2 3.05Å; D1157-N1161 VanDerWaalsContact O-ND2 3.16Å
1158G81.7Confident88.8Confident2 Ų224.4 Ų24.42%0.02112%0.123CC..Hα-helixtrans-63.3-27.5-177.900000114.8Q1135 K1156 N1162Q1135-G1158 PolarHBondContact OE1-O 3.21Å; Q1135-G1158 VanDerWaalsContact OE1-O 3.14Å; K1156-G1158 PolarHBondContact O-N 3.38Å; K1156-G1158 VanDerWaalsContact O-N 3.11Å; G1158-N1162 PolarHBondContact O-ND2 3.37Å
1159M86.3Confident89Confident0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-81.6-53.4178-175.262.763.800110.4F27 D1126 T1134 I1137 I1141 V1152 S1154 K1156 D1157 N1161 N1162F27-M1159 HydrophobicContact CZ-CG 4.46Å; F27-M1159 HydrophobicContact CZ-SD 4.02Å; D1126-M1159 HydrophobicContact CB-CE 3.96Å; T1134-M1159 HydrophobicContact CG2-CB 3.71Å; T1134-M1159 HydrophobicContact CG2-CE 4.03Å; I1137-M1159 HydrophobicContact CB-CE 4.06Å; I1137-M1159 HydrophobicContact CG2-CE 3.69Å; I1141-M1159 HydrophobicContact CD1-SD 4.17Å; V1152-M1159 HydrophobicContact CG1-CG 3.91Å; V1152-M1159 HydrophobicContact CG1-SD 4.33Å; S1154-M1159 WeakPolarHBondContact OG-CB 3.35Å; K1156-M1159 PolarHBondContact O-N 2.79Å; D1157-M1159 PolarHBondContact O-N 3.41Å; M1159-N1161 PolarHBondContact O-N 3.19Å; M1159-N1162 PolarHBondContact O-N 3.35Å
1160F84Confident89Confident23 Ų2330.4 Ų30.410%0.10115%0.149CC..Hα-helixtrans-78.2-21.5-171.465.8-113000113.7A29 K1156 D1157 N1162 A1163 L1166A29-F1160 HydrophobicContact CB-CB 3.54Å; K1156-F1160 VanDerWaalsContact C-CE1 3.43Å; K1156-F1160 WeakPolarHBondContact O-CD1 3.07Å; K1156-F1160 PolarHBondContact O-N 3.21Å; D1157-F1160 VanDerWaalsContact CA-CE1 3.42Å; D1157-F1160 VanDerWaalsContact CA-CZ 3.44Å; D1157-F1160 HydrophobicContact CB-CE1 4.38Å; D1157-F1160 HydrophobicContact CB-CE2 4.43Å; D1157-F1160 HydrophobicContact CB-CZ 4.02Å; D1157-F1160 PolarHBondContact O-N 3.16Å; D1157-F1160 WeakPolarHBondContact OD1-CE1 3.36Å; D1157-F1160 WeakPolarHBondContact OD1-CZ 3.5Å; F1160-N1162 PolarHBondContact O-N 3.44Å; F1160-A1163 WeakPolarHBondContact O-CB 3.08Å; F1160-A1163 PolarHBondContact O-N 3.32Å; F1160-A1163 VanDerWaalsContact O-N 3.14Å; F1160-L1166 HydrophobicContact CB-CD1 3.78Å; F1160-L1166 HydrophobicContact CD2-CD1 4.29Å; F1160-L1166 HydrophobicContact CD2-CD2 3.8Å; F1160-L1166 HydrophobicContact CE2-CD2 4.17Å; F1160-L1166 HydrophobicContact CG-CD1 4.13Å; F1160-L1166 HydrophobicContact CG-CD2 4.45Å
1161N85.6Confident88.8Confident92 Ų9236 Ų3649%0.49217%0.174SC..THydrogen-bonded Turntrans-65.9-22.3171.5-74.6-20.5000112.4D1157 M1159D1157-N1161 WeakPolarHBondContact O-CB 3.16Å; D1157-N1161 PolarHBondContact O-N 3.36Å; D1157-N1161 PolarHBondContact O-ND2 3.05Å; D1157-N1161 VanDerWaalsContact O-ND2 3.16Å; M1159-N1161 PolarHBondContact O-N 3.19Å
1162N86.9Confident88.3Confident13 Ų1339.1 Ų39.17%0.0719%0.193CC..THydrogen-bonded Turntrans-82.9-20174.6-75.5-65.5000112.9F27 Q1135 Q1139 K1142 G1158 M1159 F1160F27-N1162 HydrophobicContact CE1-CB 3.86Å; Q1135-N1162 PolarHBondContact NE2-ND2 3.13Å; Q1139-N1162 WeakPolarHBondContact CG-OD1 3.13Å; K1142-N1162 WeakPolarHBondContact CD-O 3.08Å; K1142-N1162 WeakPolarHBondContact CE-O 3.5Å; K1142-N1162 PolarHBondContact NZ-O 3.16Å; G1158-N1162 PolarHBondContact O-ND2 3.37Å; M1159-N1162 PolarHBondContact O-N 3.35Å; F1160-N1162 PolarHBondContact O-N 3.44Å
1163A89.6Confident87.8Confident2 Ų246.8 Ų46.82%0.01723%0.234CC..  trans-66.2148.2178.800000112.3F27 A29 F1160F27-A1163 HydrophobicContact CD1-CB 4.18Å; F27-A1163 HydrophobicContact CD2-CB 3.98Å; F27-A1163 HydrophobicContact CE1-CB 4.23Å; F27-A1163 HydrophobicContact CE2-CB 3.99Å; F27-A1163 HydrophobicContact CG-CB 4.05Å; F27-A1163 HydrophobicContact CZ-CB 4.12Å; A29-A1163 HydrophobicContact CB-CB 3.5Å; A29-A1163 VanDerWaalsContact CB-CB 3.5Å; F1160-A1163 WeakPolarHBondContact O-CB 3.08Å; F1160-A1163 PolarHBondContact O-N 3.32Å; F1160-A1163 VanDerWaalsContact O-N 3.14Å
1164N91.3Very high87.1Confident40 Ų4048.3 Ų48.321%0.21425%0.249CC..SBendtrans-77.7-33.6178.1-65.732.6000111D24 F27 P1183D24-N1164 HydrophobicContact CB-CB 3.95Å; D24-N1164 WeakPolarHBondContact OD1-CB 3.27Å; D24-N1164 PolarHBondContact OD1-ND2 2.59Å; D24-N1164 WeakPolarHBondContact OD2-CB 3.44Å; D24-N1164 PolarHBondContact OD2-ND2 3.44Å; F27-N1164 WeakPolarHBondContact O-CB 3.38Å; F27-N1164 PolarHBondContact O-N 3.26Å; N1164-P1183 WeakPolarHBondContact O-CD 3.46Å
1165V92.4Very high86.8Confident4 Ų449.4 Ų49.42%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-131.5136.3176.1172.10000109.5D24 F27 N28 A29 F1167 R1180D24-V1165 HydrophobicContact CB-CB 4.25Å; D24-V1165 HydrophobicContact CB-CG2 3.77Å; F27-V1165 PolarHBondContact O-N 3.38Å; N28-V1165 WeakPolarHBondContact CA-O 3.15Å; A29-V1165 PolarHBondContact N-O 3.46Å; V1165-F1167 HydrophobicContact CG1-CD2 4.14Å; V1165-F1167 HydrophobicContact CG1-CE1 4.22Å; V1165-F1167 HydrophobicContact CG1-CE2 3.62Å; V1165-F1167 HydrophobicContact CG1-CZ 3.67Å; V1165-R1180 HydrophobicContact CG1-CG 3.92Å
1166L93Very high87Confident10 Ų1045.5 Ų45.55%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-117.5118.3177.3179.259.2000110.6A29 T31 F1160 K1168 H1181A29-L1166 HydrophobicContact CB-CD1 3.92Å; A29-L1166 CarbonylContact O-C 3.56Å; A29-L1166 WeakPolarHBondContact O-CA 3.48Å; T31-L1166 HydrophobicContact CG2-CD1 3.61Å; T31-L1166 HydrophobicContact CG2-CD2 4.26Å; T31-L1166 HydrophobicContact CG2-CG 4.2Å; F1160-L1166 HydrophobicContact CB-CD1 3.78Å; F1160-L1166 HydrophobicContact CD2-CD1 4.29Å; F1160-L1166 HydrophobicContact CD2-CD2 3.8Å; F1160-L1166 HydrophobicContact CE2-CD2 4.17Å; F1160-L1166 HydrophobicContact CG-CD1 4.13Å; F1160-L1166 HydrophobicContact CG-CD2 4.45Å; L1166-K1168 HydrophobicContact CD2-CG 4.35Å; L1166-K1168 HydrophobicContact CG-CG 4.24Å; L1166-H1181 HydrophobicContact CB-CB 4.33Å; L1166-H1181 PolarHBondContact N-O 3.25Å; L1166-H1181 PolarHBondContact O-N 3.44Å
1167F93.9Very high87.2Confident4 Ų446 Ų462%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-94.9121170.4-62.5-77.4000109.7I20 F23 N28 A29 I30 T31 V1165 V1178 S1179 R1180I20-F1167 HydrophobicContact CG2-CD1 3.76Å; I20-F1167 HydrophobicContact CG2-CE1 3.55Å; I20-F1167 HydrophobicContact CG2-CG 4.4Å; I20-F1167 HydrophobicContact CG2-CZ 4.03Å; F23-F1167 AromaticContact CD1-CE2 3.78Å; F23-F1167 HydrophobicContact CD1-CE2 3.78Å; F23-F1167 HydrophobicContact CD1-CZ 4.19Å; F23-F1167 HydrophobicContact CD2-CE2 4.48Å; F23-F1167 HydrophobicContact CD2-CZ 4.1Å; F23-F1167 HydrophobicContact CE1-CD2 4.45Å; F23-F1167 AromaticContact CE1-CE2 3.78Å; F23-F1167 HydrophobicContact CE1-CE2 3.78Å; F23-F1167 HydrophobicContact CE1-CZ 4.3Å; F23-F1167 HydrophobicContact CE2-CE2 4.5Å; F23-F1167 HydrophobicContact CE2-CZ 4.23Å; F23-F1167 HydrophobicContact CG-CE2 4.14Å; F23-F1167 HydrophobicContact CG-CZ 4.08Å; F23-F1167 HydrophobicContact CZ-CE2 4.16Å; F23-F1167 HydrophobicContact CZ-CZ 4.32Å; N28-F1167 HydrophobicContact CB-CE2 4.33Å; A29-F1167 PolarHBondContact O-N 3.47Å; I30-F1167 CarbonylContact C-O 3.53Å; I30-F1167 WeakPolarHBondContact CA-O 3.35Å; I30-F1167 HydrophobicContact CG1-CB 4.21Å; I30-F1167 HydrophobicContact CG1-CD2 4.37Å; T31-F1167 PolarHBondContact N-O 3.13Å; V1165-F1167 HydrophobicContact CG1-CD2 4.14Å; V1165-F1167 HydrophobicContact CG1-CE1 4.22Å; V1165-F1167 HydrophobicContact CG1-CE2 3.62Å; V1165-F1167 HydrophobicContact CG1-CZ 3.67Å; F1167-V1178 HydrophobicContact CB-CG1 3.96Å; F1167-V1178 HydrophobicContact CD1-CG1 4.08Å; F1167-V1178 HydrophobicContact CG-CG1 4.42Å; F1167-S1179 CarbonylContact C-O 3.55Å; F1167-S1179 WeakPolarHBondContact CA-O 3.19Å; F1167-R1180 HydrophobicContact CD1-CB 4.05Å; F1167-R1180 HydrophobicContact CD1-CG 4.27Å; F1167-R1180 HydrophobicContact CE1-CB 3.95Å; F1167-R1180 HydrophobicContact CE1-CG 3.86Å
1168K92.2Very high87.6Confident86 Ų8643.2 Ų43.237%0.37423%0.229SC..EExtended strand (participates in β ladder)trans-101.7118.7175.7-69-173.3179.5179.90110.1T31 L1166 S1179T31-K1168 HydrophobicContact CG2-CG 3.79Å; T31-K1168 CarbonylContact O-C 3.6Å; T31-K1168 VanDerWaalsContact O-CA 3.27Å; T31-K1168 WeakPolarHBondContact O-CA 3.49Å; L1166-K1168 HydrophobicContact CD2-CG 4.35Å; L1166-K1168 HydrophobicContact CG-CG 4.24Å; K1168-S1179 PolarHBondContact N-O 2.89Å; K1168-S1179 PolarHBondContact O-N 3.09Å; K1168-S1179 PolarHBondContact O-OG 3.09Å; K1168-S1179 VanDerWaalsContact O-OG 3.11Å
1169T92.3Very high88Confident4 Ų445.1 Ų45.13%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-92.7139.1175.858.30000111.3I30 T31 S36 K38 I41 T1177 V1178I30-T1169 HydrophobicContact CG2-CG2 4.02Å; T31-T1169 PolarHBondContact O-N 2.82Å; T31-T1169 PolarHBondContact O-OG1 2.77Å; S36-T1169 PolarHBondContact OG-OG1 3.15Å; K38-T1169 HydrophobicContact CB-CG2 4.35Å; I41-T1169 HydrophobicContact CD1-CG2 3.68Å; T1169-T1177 CarbonylContact C-O 3.56Å; T1169-T1177 VanDerWaalsContact CA-O 3.29Å; T1169-T1177 WeakPolarHBondContact CA-O 3.01Å; T1169-V1178 HydrophobicContact CG2-CG1 4.46Å; T1169-V1178 HydrophobicContact CG2-CG2 4.15Å
1170K90.5Very high88.2Confident130 Ų13051 Ų5157%0.56527%0.265SS*.EExtended strand (participates in β ladder)trans-133.2144.8174.7-67-177.1179.8-179.30109.6V1172 T1177K1170-V1172 HydrophobicContact CB-CG2 4.1Å; K1170-T1177 PolarHBondContact N-O 3.33Å; K1170-T1177 PolarHBondContact O-N 2.84Å; K1170-T1177 PolarHBondContact O-OG1 2.99Å; K1170-T1177 VanDerWaalsContact O-OG1 3.12Å
1171F87.8Confident88.4Confident116 Ų11653.6 Ų53.651%0.50928%0.277SS..EExtended strand (participates in β ladder)trans-96.2113.6170.5-159.7-110.3000108.3G1174F1171-G1174 WeakPolarHBondContact CE2-O 3.28Å; F1171-G1174 VanDerWaalsContact CZ-CA 3.46Å; F1171-G1174 VanDerWaalsContact CZ-O 3.29Å; F1171-G1174 WeakPolarHBondContact CZ-O 3.42Å
1172V84.4Confident88.2Confident67 Ų6753.4 Ų53.441%0.40628%0.279SS..EExtended strand (participates in β ladder)trans-131.2128.8-177.6-175.10000107.7K1170 G1174 V1175K1170-V1172 HydrophobicContact CB-CG2 4.1Å; V1172-G1174 PolarHBondContact O-N 3.4Å; V1172-G1174 VanDerWaalsContact O-N 3.11Å; V1172-V1175 PolarHBondContact N-O 2.83Å; V1172-V1175 PolarHBondContact O-N 3.06Å
1173D80.9Confident87.4Confident160 Ų16055 Ų5586%0.85629%0.29SS*.THydrogen-bonded Turntrans51.336.5177.9-55.3-31.7000114.9V1175D1173-V1175 VanDerWaalsContact C-N 3.3Å; D1173-V1175 PolarHBondContact O-N 3.31Å
1174G76.7Confident85.8Confident32 Ų3263.2 Ų63.233%0.3333%0.333SS..THydrogen-bonded Turntrans81.13179.600000115.1F1171 V1172F1171-G1174 WeakPolarHBondContact CE2-O 3.28Å; F1171-G1174 VanDerWaalsContact CZ-CA 3.46Å; F1171-G1174 VanDerWaalsContact CZ-O 3.29Å; F1171-G1174 WeakPolarHBondContact CZ-O 3.42Å; V1172-G1174 PolarHBondContact O-N 3.4Å; V1172-G1174 VanDerWaalsContact O-N 3.11Å
1175V81.6Confident83.9Confident24 Ų2472.6 Ų72.615%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-123.1143-178.4-1710000110.4C15 V1172 D1173C15-V1175 HydrophobicContact CB-CG1 3.97Å; C15-V1175 HydrophobicContact CB-CG2 3.88Å; V1172-V1175 PolarHBondContact N-O 2.83Å; V1172-V1175 PolarHBondContact O-N 3.06Å; D1173-V1175 VanDerWaalsContact C-N 3.3Å; D1173-V1175 PolarHBondContact O-N 3.31Å
1176S88.3Confident81.6Confident0 Ų078.6 Ų78.60%040%0.401CS..EExtended strand (participates in β ladder)trans-78.3132.7173.4-57.70000110.8S13 Y14 S36S13-S1176 WeakPolarHBondContact CB-OG 3.09Å; S13-S1176 PolarHBondContact O-N 2.97Å; S13-S1176 PolarHBondContact OG-OG 3.42Å; Y14-S1176 WeakPolarHBondContact CD1-O 3.49Å; Y14-S1176 WeakPolarHBondContact CE1-O 3.33Å; S36-S1176 WeakPolarHBondContact O-CB 3.44Å; S36-S1176 PolarHBondContact O-OG 3.03Å
1177T88.1Confident78.9Confident61 Ų6188.8 Ų88.837%0.37444%0.439SS..EExtended strand (participates in β ladder)trans-124.5149.6176.756.90000110.1T1169 K1170T1169-T1177 CarbonylContact C-O 3.56Å; T1169-T1177 VanDerWaalsContact CA-O 3.29Å; T1169-T1177 WeakPolarHBondContact CA-O 3.01Å; K1170-T1177 PolarHBondContact N-O 3.33Å; K1170-T1177 PolarHBondContact O-N 2.84Å; K1170-T1177 PolarHBondContact O-OG1 2.99Å; K1170-T1177 VanDerWaalsContact O-OG1 3.12Å
1178V92.2Very high76.3Confident37 Ų3794.9 Ų94.922%0.22447%0.472CS..EExtended strand (participates in β ladder)trans-123.7133.9-176.4-1690000109.7Y14 T18 I20 I41 F1167 T1169Y14-V1178 HydrophobicContact CE1-CG2 3.83Å; T18-V1178 HydrophobicContact CG2-CG2 4.2Å; I20-V1178 HydrophobicContact CD1-CB 4.48Å; I20-V1178 HydrophobicContact CD1-CG1 4.41Å; I20-V1178 HydrophobicContact CD1-CG2 3.89Å; I20-V1178 HydrophobicContact CG1-CB 4.26Å; I20-V1178 HydrophobicContact CG1-CG1 4.34Å; I20-V1178 HydrophobicContact CG1-CG2 4.09Å; I20-V1178 HydrophobicContact CG2-CG1 4.33Å; I41-V1178 HydrophobicContact CD1-CG2 3.98Å; F1167-V1178 HydrophobicContact CB-CG1 3.96Å; F1167-V1178 HydrophobicContact CD1-CG1 4.08Å; F1167-V1178 HydrophobicContact CG-CG1 4.42Å; T1169-V1178 HydrophobicContact CG2-CG1 4.46Å; T1169-V1178 HydrophobicContact CG2-CG2 4.15Å
1179S90.9Very high73.7Confident42 Ų4299.5 Ų99.529%0.29450%0.495SS..EExtended strand (participates in β ladder)trans-123.5138.2174.1600000110.6F1167 K1168 H1181F1167-S1179 CarbonylContact C-O 3.55Å; F1167-S1179 WeakPolarHBondContact CA-O 3.19Å; K1168-S1179 PolarHBondContact N-O 2.89Å; K1168-S1179 PolarHBondContact O-N 3.09Å; K1168-S1179 PolarHBondContact O-OG 3.09Å; K1168-S1179 VanDerWaalsContact O-OG 3.11Å; S1179-H1181 PolarHBondContact O-CD2 3.25Å; S1179-H1181 PolarHBondContact OG-NE2 3.09Å
1180R90.4Very high71.2Confident124 Ų124106.8 Ų106.847%0.46853%0.534SS..EExtended strand (participates in β ladder)trans-97.4133.4-178.8-178.7179.2175.5-86.70.9111D21 G22 V1165 F1167D21-R1180 WeakPolarHBondContact O-CD 2.95Å; G22-R1180 PolarHBondContact O-NE 2.83Å; G22-R1180 PolarHBondContact O-NH2 3.4Å; V1165-R1180 HydrophobicContact CG1-CG 3.92Å; F1167-R1180 HydrophobicContact CD1-CB 4.05Å; F1167-R1180 HydrophobicContact CD1-CG 4.27Å; F1167-R1180 HydrophobicContact CE1-CB 3.95Å; F1167-R1180 HydrophobicContact CE1-CG 3.86Å
1181H87.9Confident68.4Low77 Ų77109.4 Ų109.436%0.35655%0.545SS..EExtended strand (participates in β ladder)trans-128.9136.8177.8-59-91.5000109.2L1166 S1179L1166-H1181 HydrophobicContact CB-CB 4.33Å; L1166-H1181 PolarHBondContact N-O 3.25Å; L1166-H1181 PolarHBondContact O-N 3.44Å; S1179-H1181 PolarHBondContact O-CD2 3.25Å; S1179-H1181 PolarHBondContact OG-NE2 3.09Å
1182V81.3Confident65.8Low88 Ų88112 Ų11253%0.53356%0.559SS.*  trans-107.8117.6170.9-176.70000106.7L1184V1182-L1184 PolarHBondContact O-N 3.31Å
1183P69Low63.5Low48 Ų48114.6 Ų114.631%0.31258%0.577SS.*  trans-56.9133.2178.6-22.632.7000111.1N1164 R1185N1164-P1183 WeakPolarHBondContact O-CD 3.46Å; P1183-R1185 PolarHBondContact O-N 3.31Å; P1183-R1185 VanDerWaalsContact O-N 3.12Å
1184L57.4Low61.3Low173 Ų173116 Ų11691%0.90658%0.578SS**  trans-59.9115.6174.6-78.6159.6000108.8V1182 V1186V1182-L1184 PolarHBondContact O-N 3.31Å; L1184-V1186 PolarHBondContact O-N 3.06Å; L1184-V1186 VanDerWaalsContact O-N 3.08Å
1185R51.8Low59.4Low237 Ų237120.7 Ų120.789%0.89460%0.6SS**  trans-62.4111.5173.9-71-178.4179.7174.9-0.3108.4P1183 R1187P1183-R1185 PolarHBondContact O-N 3.31Å; P1183-R1185 VanDerWaalsContact O-N 3.12Å; R1185-R1187 PolarHBondContact O-N 3.5Å
1186V43.6Very low57.3Low130 Ų130126.3 Ų126.379%0.78863%0.63SS**  trans-60.4112162.6-178.30000106L1184 D1188L1184-V1186 PolarHBondContact O-N 3.06Å; L1184-V1186 VanDerWaalsContact O-N 3.08Å; V1186-D1188 PolarHBondContact O-N 3.28Å; V1186-D1188 VanDerWaalsContact O-N 3.1Å
1187R35.3Very low54.6Low225 Ų225137.6 Ų137.685%0.84967%0.672SS**  trans-63.6110.2170.6-92.3-179.3171.8174.3-2.3106.6R1185 E1189R1185-R1187 PolarHBondContact O-N 3.5Å; R1187-E1189 VanDerWaalsContact C-N 3.33Å; R1187-E1189 PolarHBondContact O-N 3.01Å
1188D39.7Very low52.1Low132 Ų132141.8 Ų141.871%0.70669%0.688SS**  trans-60.793.5167-79.9-35000109.1V1186 N1190V1186-D1188 PolarHBondContact O-N 3.28Å; V1186-D1188 VanDerWaalsContact O-N 3.1Å; D1188-N1190 PolarHBondContact O-N 3.48Å; D1188-N1190 VanDerWaalsContact O-N 3.17Å
1189E37Very low49.4Very low183 Ų183151.5 Ų151.586%0.85572%0.72SS**THydrogen-bonded Turntrans-71.36.2173.3-80.9-169.1159.400113.8R1187R1187-E1189 VanDerWaalsContact C-N 3.33Å; R1187-E1189 PolarHBondContact O-N 3.01Å
1190N39.5Very low46.8Very low157 Ų157158 Ų15884%0.8474%0.743SS**THydrogen-bonded Turntrans-105.513.9-177.4-86.2-14000116.1D1188 Q1192D1188-N1190 PolarHBondContact O-N 3.48Å; D1188-N1190 VanDerWaalsContact O-N 3.17Å; N1190-Q1192 VanDerWaalsContact C-N 3.33Å; N1190-Q1192 PolarHBondContact O-N 3.42Å; N1190-Q1192 VanDerWaalsContact O-N 3.08Å
1191K33.6Very low44.4Very low184 Ų184163.6 Ų163.680%0.876%0.764SS**  trans-82.882.8165.3-75.1-173.4179.4178.60110.2
1192Q31.6Very low41.9Very low171 Ų171166.2 Ų166.280%0.79979%0.786SS**  trans-50132.7160.9-78.6-178.7-1600109.1N1190 H1194N1190-Q1192 VanDerWaalsContact C-N 3.33Å; N1190-Q1192 PolarHBondContact O-N 3.42Å; N1190-Q1192 VanDerWaalsContact O-N 3.08Å; Q1192-H1194 PolarHBondContact O-N 3.24Å
1193P36.1Very low39.7Very low122 Ų122174.9 Ų174.979%0.79282%0.816SS**  trans-67.9110.5-175.625.8-30.6000109.1T1195P1193-T1195 PolarHBondContact O-N 2.96Å
1194H36.1Very low38.2Very low189 Ų189181.2 Ų181.288%0.87584%0.841SS**  trans-57.3110168.4-95.7-76.6000108.3Q1192 D1196Q1192-H1194 PolarHBondContact O-N 3.24Å; H1194-D1196 PolarHBondContact O-N 3.41Å; H1194-D1196 VanDerWaalsContact O-N 3.16Å
1195T36.7Very low37.2Very low130 Ų130181.6 Ų181.680%0.79884%0.838SS**  trans-58.9114.8172.119.20000108.6P1193 R1197P1193-T1195 PolarHBondContact O-N 2.96Å; T1195-R1197 PolarHBondContact O-N 2.63Å
1196D35.9Very low36.4Very low142 Ų142178.6 Ų178.676%0.75984%0.835SS**  trans-52.296.6170.3-95.1-32.5000110.1H1194 Q1198H1194-D1196 PolarHBondContact O-N 3.41Å; H1194-D1196 VanDerWaalsContact O-N 3.16Å; D1196-Q1198 HydrophobicContact CB-CG 4.42Å; D1196-Q1198 PolarHBondContact O-N 3.33Å
1197R32.7Very low36Very low237 Ų237181.4 Ų181.489%0.89484%0.837SS**  trans-75.272.1158.6-80.9-175.4171.8179.6-1.7107.9T1195 R1199T1195-R1197 PolarHBondContact O-N 2.63Å; R1197-R1199 VanDerWaalsContact C-N 3.31Å; R1197-R1199 PolarHBondContact O-N 2.9Å
1198Q35.3Very low36Very low150 Ų150178.7 Ų178.770%0.70184%0.837SS**  trans-62.296.1161.1-79.3-174.2-1.100108.3D1196 K1200D1196-Q1198 HydrophobicContact CB-CG 4.42Å; D1196-Q1198 PolarHBondContact O-N 3.33Å; Q1198-K1200 PolarHBondContact O-N 3.44Å
1199R35.5Very low35.8Very low241 Ų241181.8 Ų181.891%0.90985%0.845SS**  trans-64.887158.7-79.3-178.2171.3178.8-2.3107.7R1197 R1201R1197-R1199 VanDerWaalsContact C-N 3.31Å; R1197-R1199 PolarHBondContact O-N 2.9Å; R1199-R1201 PolarHBondContact O-N 3.18Å
1200K36.6Very low35.7Very low178 Ų178181.7 Ų181.777%0.77485%0.845SS**  trans-55.9105.6155.1-82-179.5174.5177.10107.2Q1198 V1202Q1198-K1200 PolarHBondContact O-N 3.44Å; K1200-V1202 PolarHBondContact O-N 3.44Å
1201R39Very low35.4Very low241 Ų241183.6 Ų183.691%0.90985%0.845SS**  trans-59.2116.1159.1-84.1-178.1168.5179.7-3.8107R1199 K1203R1199-R1201 PolarHBondContact O-N 3.18Å; R1201-K1203 PolarHBondContact O-N 3.23Å
1202V35.9Very low35.5Very low133 Ų133183.6 Ų183.681%0.80685%0.849SS**  trans-73112.3163.7173.50000106.1K1200K1200-V1202 PolarHBondContact O-N 3.44Å
1203K34.7Very low35.9Very low269 Ų269184.7 Ų184.7100%1.1785%0.853SS**  trans58.60171.4-74.9-175.7174.2-178.90118R1201R1201-K1203 PolarHBondContact O-N 3.23Å

Retrieved 1,203 of 1,203 residues in 1276.7 ms (Link to these results)

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