A0A077ZE29_TRITR Loading...

UDENN and DENN domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZE29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,104 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
1M23.2Very low53.5Low201 Ų201127.4 Ų127.499%0.9961%0.614SS**  0-3.70-75-173.5-171.500114.3R823M1-R823 VanDerWaalsContact CE-NH1 3.34Å
2N27.5Very low56.8Low162 Ų162116.8 Ų116.887%0.86656%0.563SS**  trans-106.5-1.8175.8-82.6-7.3000115.8
3E27.5Very low59.9Low149 Ų149107.9 Ų107.970%0.69652%0.52SS*.SBendtrans-9812.5-169.7-74.4-176.2162.500115.6R393E3-R393 IonicContact OE2-CZ 3.91Å; E3-R393 IonicContact OE2-NE 2.62Å; E3-R393 IonicContact OE2-NH2 2.95Å; E3-R393 PolarHBondContact OE2-NH2 3.17Å
4K36.1Very low62.4Low145 Ų145100.2 Ų100.263%0.6348%0.483SS*.  trans-134.263.5166.7-70.9-173.9-179178.10109.8M6K4-M6 PolarHBondContact O-N 2.78Å
5R38.1Very low64.7Low238 Ų23893.5 Ų93.590%0.89845%0.451SS*.  trans-58.394.8134.6-80.2-177.4177176.1-1.3103.3D7R5-D7 PolarHBondContact O-N 2.69Å; R5-D7 VanDerWaalsContact O-N 3.15Å
6M47.2Very low66.8Low157 Ų15787.9 Ų87.977%0.77342%0.424SS*.  trans-47.6127.9166.1-68.4-164.472.100104.9K4 L8K4-M6 PolarHBondContact O-N 2.78Å; M6-L8 PolarHBondContact O-N 3.46Å
7D58Low68.5Low133 Ų13382.7 Ų82.771%0.71140%0.399SS*.  trans-5189.3175.3-78-25.4000108R5 C9 K93R5-D7 PolarHBondContact O-N 2.69Å; R5-D7 VanDerWaalsContact O-N 3.15Å; D7-C9 PolarHBondContact O-N 3.4Å; D7-K93 IonicContact OD2-NZ 3.57Å
8L71.8Confident70.1Confident74 Ų7478.3 Ų78.339%0.38738%0.378SS..  trans-75.6116.3-174.9-170.184.7000103.8M6 P10 V196 P199 L221M6-L8 PolarHBondContact O-N 3.46Å; L8-P10 WeakPolarHBondContact O-CD 3.46Å; L8-P10 VanDerWaalsContact O-N 3.16Å; L8-V196 HydrophobicContact CD2-CG1 3.68Å; L8-V196 HydrophobicContact CD2-CG2 4.4Å; L8-V196 HydrophobicContact CG-CG1 4.37Å; L8-P199 HydrophobicContact CD1-CG 3.82Å; L8-P199 HydrophobicContact CD2-CG 4.36Å; L8-L221 HydrophobicContact CD1-CD1 4.19Å
9C83.1Confident71.4Confident8 Ų874.2 Ų74.25%0.05436%0.358CS..  trans-59.1123.4174-179.40000108.4D7 R11 H130 H131 V196D7-C9 PolarHBondContact O-N 3.4Å; C9-R11 PolarHBondContact O-N 2.87Å; C9-R11 PolarHBondContact SG-NH2 2.79Å; C9-R11 VanDerWaalsContact SG-NH2 3.43Å; C9-H130 HydrophobicContact CB-CB 4.06Å; C9-H130 VanDerWaalsContact CB-CD2 3.48Å; C9-H130 WeakPolarHBondContact CB-CD2 3.33Å; C9-H130 VanDerWaalsContact CB-CE1 3.42Å; C9-H130 WeakPolarHBondContact CB-CE1 3.16Å; C9-H130 WeakPolarHBondContact CB-NE2 3.4Å; C9-H130 PolarHBondContact SG-CE1 2.94Å; C9-H130 PolarHBondContact SG-ND1 2.93Å; C9-H131 PolarHBondContact O-NE2 2.96Å; C9-V196 WeakPolarHBondContact O-CG1 3.37Å
10P85.3Confident72.4Confident89 Ų8970.5 Ų70.558%0.57834%0.34SS*.SBendtrans-68.8-17.5-176.527.8-34.7000112.5L8 V196L8-P10 WeakPolarHBondContact O-CD 3.46Å; L8-P10 VanDerWaalsContact O-N 3.16Å; P10-V196 PolarHBondContact O-N 2.92Å
11R90.7Very high73.1Confident45 Ų4567.3 Ų67.317%0.1733%0.325CS..BIsolated β-bridgetrans-88.3130.9-178.1-57.9175.2-62.9-95.7-3.9110.1C9 D14 D50 H131C9-R11 PolarHBondContact O-N 2.87Å; C9-R11 PolarHBondContact SG-NH2 2.79Å; C9-R11 VanDerWaalsContact SG-NH2 3.43Å; R11-D14 IonicContact CZ-OD1 3.99Å; R11-D14 IonicContact NE-OD1 2.7Å; R11-D14 PolarHBondContact NE-OD1 3.45Å; R11-D14 IonicContact NH2-OD1 3.13Å; R11-D14 PolarHBondContact NH2-OD1 3.48Å; R11-D50 IonicContact CZ-OD1 3.07Å; R11-D50 IonicContact CZ-OD2 3.27Å; R11-D50 IonicContact NH1-OD1 2.7Å; R11-D50 PolarHBondContact NH1-OD1 3.32Å; R11-D50 IonicContact NH1-OD2 2.94Å; R11-D50 IonicContact NH2-OD1 3.56Å; R11-D50 PolarHBondContact NH2-OD1 3.45Å; R11-D50 IonicContact NH2-OD2 3.44Å; R11-D50 PolarHBondContact NH2-OD2 3.46Å; R11-H131 PolarHBondContact O-CD2 2.86Å; R11-H131 VanDerWaalsContact O-CD2 3.3Å; R11-H131 PolarHBondContact O-NE2 3.43Å; R11-H131 VanDerWaalsContact O-NE2 3.08Å
12L93.7Very high75.5Confident0 Ų061.2 Ų61.20%030%0.296CS..SBendtrans-69.5-39.3171.5-176.165.3000111.4S129 F133 F137 A194 L204 F219L12-S129 PolarHBondContact O-OG 3.02Å; L12-F133 HydrophobicContact CD1-CD2 3.89Å; L12-F133 HydrophobicContact CD1-CE2 3.75Å; L12-F137 HydrophobicContact CD1-CZ 4.38Å; L12-F137 HydrophobicContact CG-CE1 4.24Å; L12-F137 HydrophobicContact CG-CZ 4.35Å; L12-F137 WeakPolarHBondContact O-CZ 3.14Å; L12-A194 HydrophobicContact CD2-CB 4.15Å; L12-L204 HydrophobicContact CD2-CD2 3.63Å; L12-F219 HydrophobicContact CD1-CD1 4.08Å; L12-F219 HydrophobicContact CD1-CG 4.38Å; L12-F219 HydrophobicContact CD2-CD1 4.3Å; L12-F219 HydrophobicContact CD2-CD2 4.21Å; L12-F219 HydrophobicContact CD2-CE1 4.33Å; L12-F219 HydrophobicContact CD2-CE2 4.25Å; L12-F219 HydrophobicContact CD2-CG 4.24Å; L12-F219 HydrophobicContact CD2-CZ 4.3Å
13I96Very high77.5Confident2 Ų259 Ų591%0.0128%0.284CS..  trans-129.8130.5177-63.1166.7000108.1Y15 I127 F137 L140 L191 L192I13-Y15 WeakPolarHBondContact CG2-O 3.37Å; I13-I127 HydrophobicContact CD1-CD1 4.15Å; I13-I127 HydrophobicContact CD1-CG2 4.36Å; I13-I127 HydrophobicContact CG1-CG2 4.06Å; I13-I127 HydrophobicContact CG2-CG2 3.85Å; I13-F137 HydrophobicContact CD1-CD1 4.23Å; I13-F137 HydrophobicContact CD1-CE1 3.98Å; I13-F137 HydrophobicContact CG1-CD1 4.24Å; I13-F137 HydrophobicContact CG1-CE1 3.63Å; I13-F137 HydrophobicContact CG1-CZ 4.05Å; I13-L140 HydrophobicContact CD1-CD1 4.49Å; I13-L191 HydrophobicContact CD1-CD1 4.22Å; I13-L191 HydrophobicContact CD1-CD2 4.17Å; I13-L191 HydrophobicContact CD1-CG 3.96Å; I13-L192 HydrophobicContact CB-CD2 3.9Å; I13-L192 HydrophobicContact CG2-CD2 3.43Å; I13-L192 VanDerWaalsContact CG2-CD2 3.43Å
14D94.9Very high78.9Confident0 Ų051.9 Ų51.90%025%0.251CS..SBendtrans-83.6-47.7178.2-63.7-72.8000111.3R11 P44 H48 F51 R95 I128 S129 H130R11-D14 IonicContact CZ-OD1 3.99Å; R11-D14 IonicContact NE-OD1 2.7Å; R11-D14 PolarHBondContact NE-OD1 3.45Å; R11-D14 IonicContact NH2-OD1 3.13Å; R11-D14 PolarHBondContact NH2-OD1 3.48Å; D14-P44 WeakPolarHBondContact O-CD 3.26Å; D14-H48 PolarHBondContact O-NE2 3.02Å; D14-F51 HydrophobicContact CB-CD1 4.26Å; D14-R95 IonicContact OD2-NE 3.61Å; D14-I128 PolarHBondContact N-O 2.87Å; D14-S129 WeakPolarHBondContact OD2-CA 3.24Å; D14-H130 IonicContact OD1-CE1 3.11Å; D14-H130 PolarHBondContact OD1-CE1 2.82Å; D14-H130 IonicContact OD1-ND1 2.72Å; D14-H130 PolarHBondContact OD1-ND1 2.88Å; D14-H130 IonicContact OD2-CE1 3.75Å; D14-H130 IonicContact OD2-CG 2.8Å; D14-H130 PolarHBondContact OD2-N 3.22Å; D14-H130 VanDerWaalsContact OD2-N 3.17Å; D14-H130 IonicContact OD2-ND1 2.63Å; D14-H130 PolarHBondContact OD2-ND1 2.88Å
15Y97.4Very high79.9Confident0 Ų050 Ų500%024%0.244CC..EExtended strand (participates in β ladder)trans-142.6149.7179.8-62-84.4000112.5I13 Y43 P44 S47 H48 F51 L53 I128I13-Y15 WeakPolarHBondContact CG2-O 3.37Å; Y15-Y43 CarbonylContact C-O 3.54Å; Y15-Y43 VanDerWaalsContact CA-O 3.26Å; Y15-Y43 WeakPolarHBondContact CA-O 3.25Å; Y15-P44 HydrophobicContact CD1-CG 4.34Å; Y15-P44 HydrophobicContact CE1-CG 4.21Å; Y15-S47 WeakPolarHBondContact OH-CA 3.38Å; Y15-H48 AromaticContact CE2-CD2 3.7Å; Y15-H48 AromaticContact CZ-CD2 3.46Å; Y15-H48 VanDerWaalsContact CZ-CD2 3.46Å; Y15-H48 PolarHBondContact OH-CD2 3Å; Y15-H48 PolarHBondContact OH-N 2.83Å; Y15-F51 HydrophobicContact CD2-CD1 4.12Å; Y15-F51 AromaticContact CD2-CE1 3.88Å; Y15-F51 HydrophobicContact CD2-CE1 3.88Å; Y15-F51 AromaticContact CE2-CD1 3.52Å; Y15-F51 HydrophobicContact CE2-CD1 3.52Å; Y15-F51 AromaticContact CE2-CE1 3.64Å; Y15-F51 HydrophobicContact CE2-CE1 3.64Å; Y15-F51 PolarHBondContact OH-O 3.13Å; Y15-L53 HydrophobicContact CD1-CB 4.48Å; Y15-L53 HydrophobicContact CD1-CD2 4.3Å; Y15-L53 HydrophobicContact CD2-CB 4.25Å; Y15-L53 HydrophobicContact CD2-CD1 3.88Å; Y15-L53 HydrophobicContact CE1-CB 4.12Å; Y15-L53 HydrophobicContact CE2-CB 3.84Å; Y15-L53 HydrophobicContact CE2-CD1 4.25Å; Y15-L53 HydrophobicContact CG-CD1 4.17Å; Y15-L53 HydrophobicContact CG-CD2 4.36Å; Y15-I128 PolarHBondContact N-O 2.94Å; Y15-I128 PolarHBondContact O-N 3.39Å
16L97.7Very high80.6Confident3 Ų340.9 Ų40.92%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-115.3124.7159.4-171.7148.4000108.6I18 R42 Y43 C126 I127 L144 I188L16-I18 HydrophobicContact CD2-CG1 4.43Å; L16-R42 CarbonylContact O-C 3.59Å; L16-R42 WeakPolarHBondContact O-CA 3.3Å; L16-Y43 HydrophobicContact CD2-CD2 4.01Å; L16-Y43 PolarHBondContact N-O 3.27Å; L16-Y43 PolarHBondContact O-N 2.96Å; L16-C126 CarbonylContact C-O 3.56Å; L16-C126 WeakPolarHBondContact CA-O 3.16Å; L16-I127 HydrophobicContact CD1-CG1 4.33Å; L16-L144 HydrophobicContact CD1-CD2 3.58Å; L16-L144 HydrophobicContact CD2-CD2 4.09Å; L16-L144 HydrophobicContact CG-CD2 4.43Å; L16-I188 HydrophobicContact CB-CG2 4.2Å; L16-I188 HydrophobicContact CD1-CG2 4.2Å; L16-I188 HydrophobicContact CD2-CD1 4.39Å; L16-I188 HydrophobicContact CD2-CG2 4.4Å
17V97Very high80.7Confident0 Ų043.5 Ų43.50%023%0.231CC..EExtended strand (participates in β ladder)trans-122.8146.2-176.5-59.30000111.6V19 L39 R41 R42 L53 C126V17-V19 HydrophobicContact CG2-CG2 4.46Å; V17-L39 HydrophobicContact CB-CD1 3.75Å; V17-L39 HydrophobicContact CG1-CD1 4.02Å; V17-R41 WeakPolarHBondContact CA-O 3.41Å; V17-R42 HydrophobicContact CG1-CB 4.06Å; V17-L53 HydrophobicContact CG1-CD2 3.74Å; V17-C126 HydrophobicContact CG2-CB 3.64Å; V17-C126 PolarHBondContact N-O 3.49Å; V17-C126 PolarHBondContact O-N 3.05Å
18I96.1Very high80.5Confident3 Ų339.3 Ų39.32%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-116.9121174-51.7-175.1000107.5L16 L40 R41 V123 S124 L125 L166L16-I18 HydrophobicContact CD2-CG1 4.43Å; I18-L40 HydrophobicContact CG2-CB 4.45Å; I18-L40 WeakPolarHBondContact O-CB 3.46Å; I18-L40 PolarHBondContact O-N 2.79Å; I18-R41 HydrophobicContact CB-CB 4.23Å; I18-R41 HydrophobicContact CD1-CB 4.25Å; I18-R41 HydrophobicContact CG1-CB 4.31Å; I18-R41 PolarHBondContact N-O 2.93Å; I18-R41 PolarHBondContact O-N 3.4Å; I18-V123 HydrophobicContact CG2-CG1 4.27Å; I18-S124 WeakPolarHBondContact CA-O 3.35Å; I18-L125 HydrophobicContact CB-CD2 4.45Å; I18-L125 HydrophobicContact CD1-CD2 4.15Å; I18-L125 HydrophobicContact CG1-CD2 3.81Å; I18-L125 HydrophobicContact CG2-CD2 4.21Å; I18-L166 HydrophobicContact CG2-CD2 3.78Å
19V95.3Very high79.5Confident0 Ų041.2 Ų41.20%023%0.226CC..EExtended strand (participates in β ladder)trans-120.4140.5-177.1173.40000109.9V17 E38 L39 V58 C61 Q62 V123 S124V17-V19 HydrophobicContact CG2-CG2 4.46Å; V19-E38 WeakPolarHBondContact CA-O 3.44Å; V19-L39 HydrophobicContact CG2-CD1 4.13Å; V19-V58 HydrophobicContact CG1-CB 4.46Å; V19-V58 HydrophobicContact CG1-CG1 3.8Å; V19-V58 HydrophobicContact CG2-CG2 4.26Å; V19-C61 HydrophobicContact CB-CB 4.06Å; V19-C61 HydrophobicContact CG1-CB 4.2Å; V19-C61 HydrophobicContact CG2-CB 3.95Å; V19-Q62 HydrophobicContact CG1-CG 4.09Å; V19-V123 WeakPolarHBondContact O-CA 3.41Å; V19-S124 PolarHBondContact N-O 2.92Å; V19-S124 PolarHBondContact O-N 3.33Å
20G92.1Very high78.2Confident1 Ų150.2 Ų50.21%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-175.6-144.6179.400000110.7S37 E38G20-S37 CarbonylContact O-C 3.54Å; G20-S37 WeakPolarHBondContact O-CA 3.12Å; G20-E38 PolarHBondContact N-O 2.75Å; G20-E38 PolarHBondContact O-N 3.47Å
21T86.4Confident77.1Confident3 Ų352.8 Ų52.82%0.01826%0.263CS..  trans-140.4137.7176.9-170.80000111D23 N35 R36 C66 V68T21-D23 PolarHBondContact OG1-N 3.11Å; T21-N35 HydrophobicContact CG2-CB 4.23Å; T21-R36 PolarHBondContact OG1-O 2.77Å; T21-C66 HydrophobicContact CG2-CB 4.38Å; T21-C66 WeakPolarHBondContact CG2-SG 3.36Å; T21-V68 HydrophobicContact CG2-CG2 3.65Å
22L73.8Confident76Confident74 Ų7454.8 Ų54.839%0.38728%0.277SS..SBendtrans-85.9-20.2170.5-66.6172000112.1A24 L40 L166 V168L22-A24 PolarHBondContact O-N 3.4Å; L22-L40 HydrophobicContact CD1-CD2 4.46Å; L22-L40 HydrophobicContact CD2-CD2 3.92Å; L22-L40 HydrophobicContact CG-CD2 3.74Å; L22-L166 WeakPolarHBondContact CD2-O 3.43Å; L22-V168 HydrophobicContact CD2-CG2 4.15Å
23D68.5Low74.9Confident115 Ų11556.4 Ų56.462%0.61529%0.288SS*.  trans-8241.4-174.5-104.8-8.4000113.5T21 H25 N35T21-D23 PolarHBondContact OG1-N 3.11Å; D23-H25 PolarHBondContact O-N 3Å; D23-N35 PolarHBondContact O-ND2 3.32Å
24A58.7Low73.8Confident0 Ų061.2 Ų61.20%032%0.318CS..THydrogen-bonded Turntrans-68-11.6174.700000113.7L22 F28 L108 I119L22-A24 PolarHBondContact O-N 3.4Å; A24-F28 WeakPolarHBondContact O-CE2 3.33Å; A24-L108 HydrophobicContact CB-CD1 3.75Å; A24-L108 HydrophobicContact CB-CD2 3.81Å; A24-L108 HydrophobicContact CB-CG 4.34Å; A24-L108 WeakPolarHBondContact O-CD1 3.45Å; A24-I119 HydrophobicContact CB-CD1 3.38Å
25H55.4Low72.9Confident105 Ų10562.9 Ų62.949%0.48633%0.326SS..THydrogen-bonded Turntrans-90.61.9-172.8-67-64.4000115.1D23D23-H25 PolarHBondContact O-N 3Å
26G53.2Low72.1Confident46 Ų4671.9 Ų71.947%0.47436%0.36SS..SBendtrans-58.6151.6178.500000113.5F28G26-F28 VanDerWaalsContact O-CD2 3.26Å; G26-F28 WeakPolarHBondContact O-CD2 3.13Å; G26-F28 PolarHBondContact O-N 2.87Å
27K49.4Very low71.8Confident213 Ų21372.3 Ų72.393%0.92636%0.364SS*.  trans-61.994.3175.2-73.4-179.2179.4176.60109.9S29K27-S29 VanDerWaalsContact C-N 3.32Å; K27-S29 PolarHBondContact O-N 2.8Å
28F54.9Low71.5Confident44 Ų4475.6 Ų75.619%0.19338%0.379CS..  trans-62.588.3172.4-70.2-84.5000110.8A24 G26 S33 V68 I119A24-F28 WeakPolarHBondContact O-CE2 3.33Å; G26-F28 VanDerWaalsContact O-CD2 3.26Å; G26-F28 WeakPolarHBondContact O-CD2 3.13Å; G26-F28 PolarHBondContact O-N 2.87Å; F28-S33 WeakPolarHBondContact CE1-OG 3.11Å; F28-V68 HydrophobicContact CE1-CB 4.25Å; F28-V68 HydrophobicContact CE1-CG1 3.73Å; F28-V68 HydrophobicContact CZ-CB 4.5Å; F28-V68 HydrophobicContact CZ-CG1 3.62Å; F28-I119 HydrophobicContact CE2-CG2 3.96Å; F28-I119 HydrophobicContact CZ-CG2 3.93Å
29S49.7Very low71.3Confident114 Ų11478.6 Ų78.680%0.79740%0.395SS*.  trans-81.8-24.1169.3150.60000111.5K27K27-S29 VanDerWaalsContact C-N 3.32Å; K27-S29 PolarHBondContact O-N 2.8Å
30R55.9Low71.2Confident198 Ų19880.1 Ų80.175%0.74740%0.403SS*.SBendtrans-117.1153179.3-67.9178.6-179.9166.6-0.7111.3I32R30-I32 WeakPolarHBondContact CB-O 3.02Å; R30-I32 PolarHBondContact O-N 2.82Å
31Q63.3Low71.2Confident142 Ų14282.7 Ų82.766%0.66441%0.412SS*.SBendtrans-59-29.6176.9-86.8-178.6-28.700113S69 S70Q31-S69 WeakPolarHBondContact O-CA 3.44Å; Q31-S69 PolarHBondContact O-OG 3.17Å; Q31-S70 PolarHBondContact O-N 3.09Å; Q31-S70 VanDerWaalsContact O-N 3.14Å; Q31-S70 PolarHBondContact O-OG 3.4Å
32I66.1Low71.6Confident88 Ų8886.3 Ų86.345%0.45143%0.425SS..EExtended strand (participates in β ladder)trans-130.9136.6178.1-58.8170.8000108.3R30 V68 V73R30-I32 WeakPolarHBondContact CB-O 3.02Å; R30-I32 PolarHBondContact O-N 2.82Å; I32-V68 CarbonylContact C-O 3.59Å; I32-V68 WeakPolarHBondContact CA-O 3.46Å; I32-V73 HydrophobicContact CD1-CG2 4.5Å
33S71.6Confident72.7Confident33 Ų3383.6 Ų83.623%0.23141%0.41CS..EExtended strand (participates in β ladder)trans-130142.4174.256.90000110.9F28 V68F28-S33 WeakPolarHBondContact CE1-OG 3.11Å; S33-V68 PolarHBondContact N-O 3.39Å; S33-V68 PolarHBondContact O-N 2.87Å; S33-V68 PolarHBondContact OG-O 3.01Å
34T71.5Confident74Confident104 Ų10479.3 Ų79.364%0.63839%0.389SS*.EExtended strand (participates in β ladder)trans-96.9126.2171.145.40000109.6C66 T67T34-C66 CarbonylContact C-O 3.54Å; T34-C66 WeakPolarHBondContact CA-O 3.17Å; T34-T67 HydrophobicContact CG2-CG2 4.14Å
35N76.3Confident75.5Confident34 Ų3483.8 Ų83.818%0.18242%0.42CS..EExtended strand (participates in β ladder)trans-116.2159.5179.7-74.8-0.5000110T21 D23 S37 S65 C66T21-N35 HydrophobicContact CG2-CB 4.23Å; D23-N35 PolarHBondContact O-ND2 3.32Å; N35-S37 PolarHBondContact O-N 2.87Å; N35-S65 WeakPolarHBondContact O-CB 3.4Å; N35-C66 HydrophobicContact CB-CB 4.45Å; N35-C66 PolarHBondContact N-O 2.85Å; N35-C66 PolarHBondContact O-N 3.17Å; N35-C66 VanDerWaalsContact O-N 3.1Å
36R82.1Confident77.3Confident190 Ų19082.8 Ų82.872%0.71742%0.424SS*.  trans-66.1130.1170.4-174.6174.7176.8176.7-5.7109.5T21T21-R36 PolarHBondContact OG1-O 2.77Å
37S89.9Confident79.1Confident12 Ų1282.7 Ų82.78%0.08442%0.416CS..  trans-72.9143.7172.5-56.10000110.5G20 N35 V58 Q62 C66G20-S37 CarbonylContact O-C 3.54Å; G20-S37 WeakPolarHBondContact O-CA 3.12Å; N35-S37 PolarHBondContact O-N 2.87Å; S37-V58 VanDerWaalsContact O-CG1 3.26Å; S37-V58 WeakPolarHBondContact O-CG1 2.95Å; S37-Q62 WeakPolarHBondContact OG-CB 3.34Å; S37-Q62 PolarHBondContact OG-OE1 2.82Å; S37-C66 PolarHBondContact OG-N 3.09Å
38E91.2Very high81.1Confident69 Ų6974.4 Ų74.432%0.32238%0.38SS..EExtended strand (participates in β ladder)trans-135.9147.9-177.5-64.1-177.3158.600110.7V19 G20 L40V19-E38 WeakPolarHBondContact CA-O 3.44Å; G20-E38 PolarHBondContact N-O 2.75Å; G20-E38 PolarHBondContact O-N 3.47Å; E38-L40 HydrophobicContact CB-CD2 4.47Å; E38-L40 PolarHBondContact O-N 3.28Å
39L93Very high82.6Confident66 Ų6682 Ų8235%0.34642%0.417SS..EExtended strand (participates in β ladder)trans-77.3103.2171.7-177.465.4000108.6V17 V19 R41 R42 L53 V58V17-L39 HydrophobicContact CB-CD1 3.75Å; V17-L39 HydrophobicContact CG1-CD1 4.02Å; V19-L39 HydrophobicContact CG2-CD1 4.13Å; L39-R41 WeakPolarHBondContact CD1-O 3.38Å; L39-R42 HydrophobicContact CD2-CB 4.39Å; L39-L53 HydrophobicContact CD2-CD2 4.36Å; L39-V58 HydrophobicContact CB-CG2 3.7Å
40L91.8Very high84.4Confident32 Ų3280.2 Ų80.217%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-78-44.5-176.9-58.1179.8000111.3I18 L22 E38 L166I18-L40 HydrophobicContact CG2-CB 4.45Å; I18-L40 WeakPolarHBondContact O-CB 3.46Å; I18-L40 PolarHBondContact O-N 2.79Å; L22-L40 HydrophobicContact CD1-CD2 4.46Å; L22-L40 HydrophobicContact CD2-CD2 3.92Å; L22-L40 HydrophobicContact CG-CD2 3.74Å; E38-L40 HydrophobicContact CB-CD2 4.47Å; E38-L40 PolarHBondContact O-N 3.28Å; L40-L166 HydrophobicContact CD1-CB 4.06Å; L40-L166 HydrophobicContact CD1-CD2 3.42Å; L40-L166 VanDerWaalsContact CD1-CD2 3.42Å; L40-L166 HydrophobicContact CD1-CG 4.33Å
41R92.8Very high86Confident55 Ų5571.4 Ų71.421%0.20837%0.365CS..EExtended strand (participates in β ladder)trans-147.7156.5175.5-69.8-164.9-177.3-165-0.5111.8V17 I18 L39 Y43 A164 L165 E185V17-R41 WeakPolarHBondContact CA-O 3.41Å; I18-R41 HydrophobicContact CB-CB 4.23Å; I18-R41 HydrophobicContact CD1-CB 4.25Å; I18-R41 HydrophobicContact CG1-CB 4.31Å; I18-R41 PolarHBondContact N-O 2.93Å; I18-R41 PolarHBondContact O-N 3.4Å; L39-R41 WeakPolarHBondContact CD1-O 3.38Å; R41-Y43 HydrophobicContact CB-CE2 4.23Å; R41-Y43 WeakPolarHBondContact CD-OH 3.25Å; R41-Y43 PolarHBondContact NH1-OH 2.78Å; R41-Y43 VanDerWaalsContact NH1-OH 3.1Å; R41-A164 PolarHBondContact NH2-O 2.81Å; R41-L165 WeakPolarHBondContact CD-O 3.42Å; R41-L165 WeakPolarHBondContact CG-O 3.26Å; R41-L165 PolarHBondContact NE-O 2.95Å; R41-E185 IonicContact CZ-OE1 3.31Å; R41-E185 IonicContact NH1-OE1 2.91Å; R41-E185 PolarHBondContact NH1-OE1 3.04Å
42R94.8Very high87.3Confident79 Ų7970.5 Ų70.530%0.29836%0.363SS..EExtended strand (participates in β ladder)trans-142.6148.1171.266.2173.9-172.9-1784111.3L16 V17 L39 P44 S45 S47 L53L16-R42 CarbonylContact O-C 3.59Å; L16-R42 WeakPolarHBondContact O-CA 3.3Å; V17-R42 HydrophobicContact CG1-CB 4.06Å; L39-R42 HydrophobicContact CD2-CB 4.39Å; R42-P44 CarbonylContact C-O 3.58Å; R42-S45 PolarHBondContact NE-O 3.35Å; R42-S45 PolarHBondContact NH2-O 2.77Å; R42-S47 PolarHBondContact NH1-OG 2.62Å; R42-L53 HydrophobicContact CB-CD2 4.43Å
43Y96.1Very high88.6Confident16 Ų1666.9 Ų66.96%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-131.5128.1174.5-58.8-87.6000108.6Y15 L16 R41 E185 I188 L189 L192Y15-Y43 CarbonylContact C-O 3.54Å; Y15-Y43 VanDerWaalsContact CA-O 3.26Å; Y15-Y43 WeakPolarHBondContact CA-O 3.25Å; L16-Y43 HydrophobicContact CD2-CD2 4.01Å; L16-Y43 PolarHBondContact N-O 3.27Å; L16-Y43 PolarHBondContact O-N 2.96Å; R41-Y43 HydrophobicContact CB-CE2 4.23Å; R41-Y43 WeakPolarHBondContact CD-OH 3.25Å; R41-Y43 PolarHBondContact NH1-OH 2.78Å; R41-Y43 VanDerWaalsContact NH1-OH 3.1Å; Y43-E185 HydrophobicContact CE1-CB 4.23Å; Y43-E185 HydrophobicContact CE1-CG 3.67Å; Y43-E185 WeakPolarHBondContact OH-CG 3.46Å; Y43-E185 PolarHBondContact OH-OE1 2.98Å; Y43-I188 HydrophobicContact CD1-CG2 4.16Å; Y43-I188 HydrophobicContact CD2-CD1 4.15Å; Y43-I188 HydrophobicContact CD2-CG2 3.92Å; Y43-I188 HydrophobicContact CE2-CD1 3.95Å; Y43-I188 HydrophobicContact CG-CG2 3.61Å; Y43-L189 HydrophobicContact CD1-CD2 4.45Å; Y43-L192 VanDerWaalsContact C-CD1 3.49Å; Y43-L192 WeakPolarHBondContact O-CD1 3.49Å
44P95.5Very high89.5Confident26 Ų2667.6 Ų67.617%0.16935%0.349CS..SBendcis-62163.6-9.528.8-34.5000112.6D14 Y15 R42D14-P44 WeakPolarHBondContact O-CD 3.26Å; Y15-P44 HydrophobicContact CD1-CG 4.34Å; Y15-P44 HydrophobicContact CE1-CG 4.21Å; R42-P44 CarbonylContact C-O 3.58Å
45S92.2Very high90.4Very high94 Ų9467.3 Ų67.366%0.65735%0.351SS*.SBendtrans-73.8-28.1-177.8560000113R42R42-S45 PolarHBondContact NE-O 3.35Å; R42-S45 PolarHBondContact NH2-O 2.77Å
46C91.6Very high91Very high84 Ų8468.8 Ų68.857%0.56836%0.359SS*.SBendtrans-95153.8171.748.40000111.4
47S90.8Very high91.6Very high44 Ų4459.7 Ų59.731%0.30833%0.325SS..PPolyproline II helixtrans-78.3147.1173.5-61.90000110.9Y15 R42Y15-S47 WeakPolarHBondContact OH-CA 3.38Å; R42-S47 PolarHBondContact NH1-OG 2.62Å
48H91.2Very high91.9Very high39 Ų3959.8 Ų59.818%0.18133%0.325CS..BIsolated β-bridgetrans-67.7146.2168.7-58.7-65.5000110.9D14 Y15 D50 F51D14-H48 PolarHBondContact O-NE2 3.02Å; Y15-H48 AromaticContact CE2-CD2 3.7Å; Y15-H48 AromaticContact CZ-CD2 3.46Å; Y15-H48 VanDerWaalsContact CZ-CD2 3.46Å; Y15-H48 PolarHBondContact OH-CD2 3Å; Y15-H48 PolarHBondContact OH-N 2.83Å; H48-D50 VanDerWaalsContact C-N 3.32Å; H48-D50 PolarHBondContact O-N 3.32Å; H48-F51 CarbonylContact O-C 3.51Å; H48-F51 PolarHBondContact O-N 2.94Å
49E88.1Confident91.9Very high204 Ų20457.8 Ų57.895%0.95332%0.318SS*.THydrogen-bonded Turntrans-62.9-38.4178.4-65.7-174.317100112.3
50D86.4Confident92.1Very high76 Ų7655.3 Ų55.341%0.40631%0.305SS..THydrogen-bonded Turntrans-86.5-8-179.368.2-57.5000113.6R11 H48R11-D50 IonicContact CZ-OD1 3.07Å; R11-D50 IonicContact CZ-OD2 3.27Å; R11-D50 IonicContact NH1-OD1 2.7Å; R11-D50 PolarHBondContact NH1-OD1 3.32Å; R11-D50 IonicContact NH1-OD2 2.94Å; R11-D50 IonicContact NH2-OD1 3.56Å; R11-D50 PolarHBondContact NH2-OD1 3.45Å; R11-D50 IonicContact NH2-OD2 3.44Å; R11-D50 PolarHBondContact NH2-OD2 3.46Å; H48-D50 VanDerWaalsContact C-N 3.32Å; H48-D50 PolarHBondContact O-N 3.32Å
51F89.1Confident92.3Very high13 Ų1353.8 Ų53.86%0.05730%0.297CS..BIsolated β-bridgetrans-157.498179-178.7-126.9000112.4D14 Y15 H48 L53 R95 I128D14-F51 HydrophobicContact CB-CD1 4.26Å; Y15-F51 HydrophobicContact CD2-CD1 4.12Å; Y15-F51 AromaticContact CD2-CE1 3.88Å; Y15-F51 HydrophobicContact CD2-CE1 3.88Å; Y15-F51 AromaticContact CE2-CD1 3.52Å; Y15-F51 HydrophobicContact CE2-CD1 3.52Å; Y15-F51 AromaticContact CE2-CE1 3.64Å; Y15-F51 HydrophobicContact CE2-CE1 3.64Å; Y15-F51 PolarHBondContact OH-O 3.13Å; H48-F51 CarbonylContact O-C 3.51Å; H48-F51 PolarHBondContact O-N 2.94Å; F51-L53 PolarHBondContact O-N 2.88Å; F51-R95 HydrophobicContact CD1-CG 4.36Å; F51-R95 HydrophobicContact CD2-CG 4.34Å; F51-R95 HydrophobicContact CE1-CG 3.87Å; F51-R95 HydrophobicContact CE2-CG 3.84Å; F51-R95 HydrophobicContact CZ-CB 4.24Å; F51-R95 HydrophobicContact CZ-CG 3.61Å; F51-I128 HydrophobicContact CE1-CG2 3.99Å; F51-I128 HydrophobicContact CZ-CG2 4.43Å
52I91.2Very high92.3Very high122 Ų12251.2 Ų51.263%0.62629%0.287SS*.PPolyproline II helixtrans-78.2120.1174.9-57.8174.6000109.4P54I52-P54 WeakPolarHBondContact O-CD 3.24Å
53L92.9Very high92.2Very high12 Ų1247.5 Ų47.56%0.06327%0.273CS..PPolyproline II helixtrans-60116.5177.9-176.867.7000110.9Y15 V17 L39 R42 F51 V57 I128Y15-L53 HydrophobicContact CD1-CB 4.48Å; Y15-L53 HydrophobicContact CD1-CD2 4.3Å; Y15-L53 HydrophobicContact CD2-CB 4.25Å; Y15-L53 HydrophobicContact CD2-CD1 3.88Å; Y15-L53 HydrophobicContact CE1-CB 4.12Å; Y15-L53 HydrophobicContact CE2-CB 3.84Å; Y15-L53 HydrophobicContact CE2-CD1 4.25Å; Y15-L53 HydrophobicContact CG-CD1 4.17Å; Y15-L53 HydrophobicContact CG-CD2 4.36Å; V17-L53 HydrophobicContact CG1-CD2 3.74Å; L39-L53 HydrophobicContact CD2-CD2 4.36Å; R42-L53 HydrophobicContact CB-CD2 4.43Å; F51-L53 PolarHBondContact O-N 2.88Å; L53-V57 HydrophobicContact CD1-CB 4.4Å; L53-V57 HydrophobicContact CD1-CG1 4.24Å; L53-V57 HydrophobicContact CD1-CG2 4.35Å; L53-V57 HydrophobicContact CD2-CG1 4.5Å; L53-V57 HydrophobicContact CG-CG1 4.3Å; L53-I128 HydrophobicContact CD1-CG1 4.35Å
54P91.5Very high91.9Very high48 Ų4848.9 Ų48.931%0.31228%0.282SS..PPolyproline II helixtrans-68.3142.3-179.7-20.433.8000111.9I52 D56 V57 L86I52-P54 WeakPolarHBondContact O-CD 3.24Å; P54-D56 PolarHBondContact O-N 2.72Å; P54-V57 WeakPolarHBondContact O-CB 3.35Å; P54-V57 VanDerWaalsContact O-CG1 3.22Å; P54-V57 WeakPolarHBondContact O-CG1 3.29Å; P54-V57 PolarHBondContact O-N 2.8Å; P54-L86 HydrophobicContact CG-CD1 4.4Å
55S89.7Confident91.5Very high98 Ų9849.2 Ų49.269%0.68528%0.284SS*.THydrogen-bonded Turntrans-62.4-28.2176.153.20000113V57S55-V57 PolarHBondContact O-N 2.85Å
56D90Very high91.3Very high65 Ų6544.7 Ų44.735%0.34825%0.253SS..THydrogen-bonded Turntrans-72.6-9.4-177.7-56.3-45.9000113.3P54 V58 S59 F60 F297P54-D56 PolarHBondContact O-N 2.72Å; D56-V58 PolarHBondContact O-N 2.89Å; D56-S59 WeakPolarHBondContact O-CB 3.16Å; D56-S59 PolarHBondContact O-N 3.31Å; D56-F60 WeakPolarHBondContact O-CD2 3.32Å; D56-F297 HydrophobicContact CB-CD2 4.21Å; D56-F297 HydrophobicContact CB-CE2 3.73Å
57V94.2Very high91Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-51.6-30.6175.372.20000112.2L53 P54 S55 S59 F60 C61 F84 L86 I128L53-V57 HydrophobicContact CD1-CB 4.4Å; L53-V57 HydrophobicContact CD1-CG1 4.24Å; L53-V57 HydrophobicContact CD1-CG2 4.35Å; L53-V57 HydrophobicContact CD2-CG1 4.5Å; L53-V57 HydrophobicContact CG-CG1 4.3Å; P54-V57 WeakPolarHBondContact O-CB 3.35Å; P54-V57 VanDerWaalsContact O-CG1 3.22Å; P54-V57 WeakPolarHBondContact O-CG1 3.29Å; P54-V57 PolarHBondContact O-N 2.8Å; S55-V57 PolarHBondContact O-N 2.85Å; V57-S59 PolarHBondContact O-N 2.94Å; V57-F60 PolarHBondContact O-N 3.37Å; V57-F60 VanDerWaalsContact O-N 3.16Å; V57-C61 PolarHBondContact O-N 3.16Å; V57-C61 PolarHBondContact O-SG 3.27Å; V57-F84 HydrophobicContact CG2-CE2 4.18Å; V57-F84 HydrophobicContact CG2-CZ 4.01Å; V57-L86 HydrophobicContact CG2-CD1 4.23Å; V57-I128 HydrophobicContact CG2-CD1 3.88Å; V57-I128 HydrophobicContact CG2-CG1 4.44Å
58V94.9Very high90.8Very high14 Ų1440.2 Ų40.29%0.08522%0.221CC..Hα-helixtrans-58.9-44176.9173.60000111.9V19 S37 L39 D56 F60 C61 Q62V19-V58 HydrophobicContact CG1-CB 4.46Å; V19-V58 HydrophobicContact CG1-CG1 3.8Å; V19-V58 HydrophobicContact CG2-CG2 4.26Å; S37-V58 VanDerWaalsContact O-CG1 3.26Å; S37-V58 WeakPolarHBondContact O-CG1 2.95Å; L39-V58 HydrophobicContact CB-CG2 3.7Å; D56-V58 PolarHBondContact O-N 2.89Å; V58-F60 VanDerWaalsContact C-N 3.28Å; V58-F60 PolarHBondContact O-N 2.82Å; V58-C61 PolarHBondContact O-N 3.02Å; V58-Q62 PolarHBondContact O-N 2.77Å; V58-Q62 VanDerWaalsContact O-N 3.16Å
59S93.2Very high90.4Very high26 Ų2638.4 Ų38.418%0.18221%0.213CC..Hα-helixtrans-66.3-30.7177.4-660000112.3D56 V57 Q62 P63 P294 C296D56-S59 WeakPolarHBondContact O-CB 3.16Å; D56-S59 PolarHBondContact O-N 3.31Å; V57-S59 PolarHBondContact O-N 2.94Å; S59-Q62 CarbonylContact O-C 3.58Å; S59-Q62 VanDerWaalsContact O-C 3.26Å; S59-P63 WeakPolarHBondContact O-CA 3.47Å; S59-P294 WeakPolarHBondContact O-CB 3.25Å; S59-P294 WeakPolarHBondContact O-CG 3.4Å; S59-C296 VanDerWaalsContact CB-SG 3.59Å
60F95.4Very high89.9Confident15 Ų1531.3 Ų31.37%0.06619%0.186CC..Hα-helixtrans-78.1-33.8176.1-72.5-93.3000112.6D56 V57 V58 Q62 F82 F84 L86 L292 P294 F297D56-F60 WeakPolarHBondContact O-CD2 3.32Å; V57-F60 PolarHBondContact O-N 3.37Å; V57-F60 VanDerWaalsContact O-N 3.16Å; V58-F60 VanDerWaalsContact C-N 3.28Å; V58-F60 PolarHBondContact O-N 2.82Å; F60-Q62 VanDerWaalsContact C-N 3.28Å; F60-Q62 PolarHBondContact O-N 3.18Å; F60-F82 WeakPolarHBondContact O-CE2 2.9Å; F60-F84 HydrophobicContact CB-CB 4.36Å; F60-F84 HydrophobicContact CB-CD1 3.9Å; F60-F84 HydrophobicContact CB-CD2 3.56Å; F60-F84 HydrophobicContact CB-CE1 3.97Å; F60-F84 HydrophobicContact CB-CE2 3.65Å; F60-F84 HydrophobicContact CB-CG 3.69Å; F60-F84 HydrophobicContact CB-CZ 3.84Å; F60-F84 HydrophobicContact CD1-CB 3.89Å; F60-F84 AromaticContact CD1-CD2 3.94Å; F60-F84 HydrophobicContact CD1-CD2 3.94Å; F60-F84 HydrophobicContact CD1-CG 4.05Å; F60-F84 AromaticContact CG-CD2 3.93Å; F60-F84 HydrophobicContact CG-CD2 3.93Å; F60-F84 HydrophobicContact CG-CE2 4.29Å; F60-F84 HydrophobicContact CG-CG 4.25Å; F60-L86 HydrophobicContact CD2-CD2 3.97Å; F60-L86 HydrophobicContact CE2-CD2 4.03Å; F60-L86 HydrophobicContact CG-CD2 4.29Å; F60-L86 HydrophobicContact CZ-CD2 4.38Å; F60-L292 WeakPolarHBondContact CD1-O 3.49Å; F60-L292 VanDerWaalsContact CE1-O 3.26Å; F60-L292 WeakPolarHBondContact CE1-O 3.39Å; F60-P294 HydrophobicContact CD1-CG 3.88Å; F60-P294 HydrophobicContact CD2-CG 4.12Å; F60-P294 VanDerWaalsContact CE1-CD 3.44Å; F60-P294 HydrophobicContact CE1-CG 4.05Å; F60-P294 HydrophobicContact CE2-CG 4.26Å; F60-P294 HydrophobicContact CG-CG 3.93Å; F60-P294 HydrophobicContact CZ-CG 4.23Å; F60-F297 AromaticContact CE2-CD2 3.76Å; F60-F297 HydrophobicContact CE2-CD2 3.76Å; F60-F297 AromaticContact CE2-CE2 3.85Å; F60-F297 HydrophobicContact CE2-CE2 3.85Å; F60-F297 HydrophobicContact CZ-CD2 4.28Å; F60-F297 HydrophobicContact CZ-CE2 4.38Å
61C96Very high89.4Confident0 Ų029.4 Ų29.40%018%0.178CC..Hα-helixtrans-67.2-30.9173.7-630000112.1V19 V57 V58 F82 N101 S124V19-C61 HydrophobicContact CB-CB 4.06Å; V19-C61 HydrophobicContact CG1-CB 4.2Å; V19-C61 HydrophobicContact CG2-CB 3.95Å; V57-C61 PolarHBondContact O-N 3.16Å; V57-C61 PolarHBondContact O-SG 3.27Å; V58-C61 PolarHBondContact O-N 3.02Å; C61-F82 WeakPolarHBondContact O-CZ 3.42Å; C61-N101 PolarHBondContact O-ND2 2.92Å; C61-N101 PolarHBondContact O-OD1 2.55Å; C61-N101 VanDerWaalsContact O-OD1 3.12Å; C61-S124 PolarHBondContact O-OG 3.43Å
62Q93.8Very high88.4Confident1 Ų132.8 Ų32.81%0.00520%0.202CC..SBendtrans-133.780.2179.4-65.3-172.2-17.400111.2V19 S37 V58 S59 F60 D64 S65 C66 L122 S124V19-Q62 HydrophobicContact CG1-CG 4.09Å; S37-Q62 WeakPolarHBondContact OG-CB 3.34Å; S37-Q62 PolarHBondContact OG-OE1 2.82Å; V58-Q62 PolarHBondContact O-N 2.77Å; V58-Q62 VanDerWaalsContact O-N 3.16Å; S59-Q62 CarbonylContact O-C 3.58Å; S59-Q62 VanDerWaalsContact O-C 3.26Å; F60-Q62 VanDerWaalsContact C-N 3.28Å; F60-Q62 PolarHBondContact O-N 3.18Å; Q62-D64 VanDerWaalsContact C-N 3.32Å; Q62-D64 PolarHBondContact O-N 2.89Å; Q62-S65 WeakPolarHBondContact O-CA 3.47Å; Q62-S65 PolarHBondContact O-N 3.28Å; Q62-C66 VanDerWaalsContact OE1-CB 3.22Å; Q62-L122 HydrophobicContact CG-CD2 4.26Å; Q62-L122 PolarHBondContact NE2-O 2.81Å; Q62-S124 WeakPolarHBondContact CG-OG 3.16Å; Q62-S124 PolarHBondContact NE2-OG 3.31Å; Q62-S124 VanDerWaalsContact NE2-OG 3.13Å
63P92.6Very high87.3Confident1 Ų128.5 Ų28.51%0.00618%0.181CC..THydrogen-bonded Turntrans-55.7-41.5-172.1-2835000115S59 S65 F82 Y266 L292 P294 P295 C296 P315S59-P63 WeakPolarHBondContact O-CA 3.47Å; P63-S65 VanDerWaalsContact C-N 3.3Å; P63-S65 PolarHBondContact O-N 2.7Å; P63-F82 HydrophobicContact CG-CE2 4.16Å; P63-F82 HydrophobicContact CG-CZ 4.09Å; P63-Y266 HydrophobicContact CB-CE2 4.34Å; P63-Y266 HydrophobicContact CG-CD2 4.16Å; P63-Y266 HydrophobicContact CG-CE2 3.99Å; P63-L292 HydrophobicContact CG-CD2 3.78Å; P63-P294 HydrophobicContact CB-CB 3.78Å; P63-P294 HydrophobicContact CG-CB 4.46Å; P63-P295 WeakPolarHBondContact O-CD 3.42Å; P63-C296 PolarHBondContact O-SG 2.86Å; P63-P315 HydrophobicContact CB-CG 4.17Å
64D89.9Confident85.8Confident45 Ų4534 Ų3424%0.24122%0.218CC..THydrogen-bonded Turntrans-94.821.1-179.6-66.8-9.9000112.6Q62 Y266 S317 M321Q62-D64 VanDerWaalsContact C-N 3.32Å; Q62-D64 PolarHBondContact O-N 2.89Å; D64-Y266 PolarHBondContact OD2-OH 2.95Å; D64-S317 VanDerWaalsContact CG-OG 3.26Å; D64-S317 PolarHBondContact OD1-OG 3.01Å; D64-S317 PolarHBondContact OD2-OG 3.48Å; D64-M321 HydrophobicContact CB-CE 4.15Å; D64-M321 WeakPolarHBondContact OD1-CE 3.16Å
65S88Confident84.3Confident32 Ų3237 Ų3722%0.22423%0.231CC..  trans66.8177.6-173.7-46.40000114.3N35 Q62 P63 T67N35-S65 WeakPolarHBondContact O-CB 3.4Å; Q62-S65 WeakPolarHBondContact O-CA 3.47Å; Q62-S65 PolarHBondContact O-N 3.28Å; P63-S65 VanDerWaalsContact C-N 3.3Å; P63-S65 PolarHBondContact O-N 2.7Å; S65-T67 PolarHBondContact O-N 2.85Å
66C86.5Confident82.7Confident0 Ų034.2 Ų34.20%021%0.207CC..EExtended strand (participates in β ladder)trans-79123.4-176.9-172.50000110.3T21 T34 N35 S37 Q62 L122T21-C66 HydrophobicContact CG2-CB 4.38Å; T21-C66 WeakPolarHBondContact CG2-SG 3.36Å; T34-C66 CarbonylContact C-O 3.54Å; T34-C66 WeakPolarHBondContact CA-O 3.17Å; N35-C66 HydrophobicContact CB-CB 4.45Å; N35-C66 PolarHBondContact N-O 2.85Å; N35-C66 PolarHBondContact O-N 3.17Å; N35-C66 VanDerWaalsContact O-N 3.1Å; S37-C66 PolarHBondContact OG-N 3.09Å; Q62-C66 VanDerWaalsContact OE1-CB 3.22Å; C66-L122 PolarHBondContact SG-O 3.47Å; C66-L122 VanDerWaalsContact SG-O 3.38Å
67T86.8Confident80.9Confident33 Ų3341.3 Ų41.320%0.20223%0.229CC..EExtended strand (participates in β ladder)trans-96.2134.2174.247.60000110.7T34 S65 F103 L122T34-T67 HydrophobicContact CG2-CG2 4.14Å; S65-T67 PolarHBondContact O-N 2.85Å; T67-F103 WeakPolarHBondContact OG1-CE1 3.48Å; T67-F103 VanDerWaalsContact OG1-CZ 3.29Å; T67-F103 WeakPolarHBondContact OG1-CZ 3.26Å; T67-L122 PolarHBondContact O-N 3.12Å
68V84.8Confident79.7Confident0 Ų047 Ų470%026%0.256CS..EExtended strand (participates in β ladder)trans-126.5134.2176.2-170.20000109.3T21 F28 I32 S33 I119 Y120T21-V68 HydrophobicContact CG2-CG2 3.65Å; F28-V68 HydrophobicContact CE1-CB 4.25Å; F28-V68 HydrophobicContact CE1-CG1 3.73Å; F28-V68 HydrophobicContact CZ-CB 4.5Å; F28-V68 HydrophobicContact CZ-CG1 3.62Å; I32-V68 CarbonylContact C-O 3.59Å; I32-V68 WeakPolarHBondContact CA-O 3.46Å; S33-V68 PolarHBondContact N-O 3.39Å; S33-V68 PolarHBondContact O-N 2.87Å; S33-V68 PolarHBondContact OG-O 3.01Å; V68-I119 HydrophobicContact CG1-CB 4.39Å; V68-I119 HydrophobicContact CG1-CD1 3.89Å; V68-Y120 CarbonylContact C-O 3.32Å; V68-Y120 VanDerWaalsContact CA-O 3.31Å; V68-Y120 WeakPolarHBondContact CA-O 3.26Å
69S83.5Confident79.1Confident1 Ų147.8 Ų47.81%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-131.3146178.6-170.80000112.1Q31 S71 I119 Y120Q31-S69 WeakPolarHBondContact O-CA 3.44Å; Q31-S69 PolarHBondContact O-OG 3.17Å; S69-S71 WeakPolarHBondContact CB-O 3.04Å; S69-S71 PolarHBondContact OG-N 3.41Å; S69-S71 PolarHBondContact OG-O 2.94Å; S69-I119 CarbonylContact O-C 3.58Å; S69-I119 WeakPolarHBondContact O-CA 3.44Å; S69-Y120 PolarHBondContact N-O 3.45Å; S69-Y120 PolarHBondContact O-N 2.95Å
70S78.2Confident79Confident55 Ų5550 Ų5039%0.38527%0.273SS..SBendtrans-85-11.6174.7580000113.3Q31Q31-S70 PolarHBondContact O-N 3.09Å; Q31-S70 VanDerWaalsContact O-N 3.14Å; Q31-S70 PolarHBondContact O-OG 3.4Å
71S74.7Confident78.8Confident36 Ų3649.9 Ų49.925%0.25227%0.274SS..SBendtrans-130.1158.6178.9550000110.4S69 V73S69-S71 WeakPolarHBondContact CB-O 3.04Å; S69-S71 PolarHBondContact OG-N 3.41Å; S69-S71 PolarHBondContact OG-O 2.94Å; S71-V73 PolarHBondContact O-N 3.29Å; S71-V73 VanDerWaalsContact O-N 3.17Å
72P69.5Low78.8Confident84 Ų8449.9 Ų49.955%0.54527%0.274SS..  trans-59.9121.7172.1-18.630.4000110.9M76 Y120P72-M76 WeakPolarHBondContact CA-SD 3.36Å; P72-M76 HydrophobicContact CB-CE 4.18Å; P72-M76 HydrophobicContact CB-SD 3.79Å; P72-Y120 HydrophobicContact CB-CE2 4.35Å; P72-Y120 HydrophobicContact CG-CE2 3.82Å
73V66.7Low78.9Confident33 Ų3349.9 Ų49.920%0.227%0.274CS..  trans-72.7144.8175.8-1730000108.4I32 S71 N75 M76I32-V73 HydrophobicContact CD1-CG2 4.5Å; S71-V73 PolarHBondContact O-N 3.29Å; S71-V73 VanDerWaalsContact O-N 3.17Å; V73-N75 PolarHBondContact O-N 2.95Å; V73-M76 HydrophobicContact CB-CB 4.35Å; V73-M76 WeakPolarHBondContact O-CB 3.48Å; V73-M76 PolarHBondContact O-N 3.2Å
74P61.9Low79.1Confident127 Ų12749.8 Ų49.883%0.82527%0.274SS*.THydrogen-bonded Turntrans-51.7-30.4-179.38.7-23.9000114.7
75N59.8Low79.3Confident110 Ų11048.2 Ų48.259%0.58827%0.267SS*.THydrogen-bonded Turntrans-98.413.6177.2-72.2-0.7000114.8V73 R77 H78V73-N75 PolarHBondContact O-N 2.95Å; N75-R77 PolarHBondContact O-N 2.94Å; N75-H78 PolarHBondContact O-N 3.14Å
76M56.1Low79.5Confident40 Ų4047.6 Ų47.620%0.19726%0.261CS..THydrogen-bonded Turntrans-63.2-14.8-170.8-156.1-175.689.600114.6P72 V73 F103 Y120P72-M76 WeakPolarHBondContact CA-SD 3.36Å; P72-M76 HydrophobicContact CB-CE 4.18Å; P72-M76 HydrophobicContact CB-SD 3.79Å; V73-M76 HydrophobicContact CB-CB 4.35Å; V73-M76 WeakPolarHBondContact O-CB 3.48Å; V73-M76 PolarHBondContact O-N 3.2Å; M76-F103 HydrophobicContact CG-CB 3.44Å; M76-F103 VanDerWaalsContact CG-CB 3.44Å; M76-F103 HydrophobicContact CG-CD2 4.18Å; M76-F103 HydrophobicContact CG-CG 3.85Å; M76-Y120 HydrophobicContact CE-CD1 3.32Å; M76-Y120 HydrophobicContact CE-CD2 4.44Å; M76-Y120 HydrophobicContact CE-CE1 3.07Å; M76-Y120 HydrophobicContact CE-CE2 4.25Å; M76-Y120 HydrophobicContact CE-CG 4.01Å; M76-Y120 HydrophobicContact CG-CD1 4.45Å; M76-Y120 HydrophobicContact SD-CD1 3.25Å; M76-Y120 WeakPolarHBondContact SD-CD1 2.89Å; M76-Y120 HydrophobicContact SD-CD2 3.67Å; M76-Y120 HydrophobicContact SD-CE1 3.57Å; M76-Y120 VanDerWaalsContact SD-CE1 3.57Å; M76-Y120 HydrophobicContact SD-CE2 3.97Å; M76-Y120 HydrophobicContact SD-CG 3.29Å
77R52.4Low79.5Confident214 Ų21451.8 Ų51.881%0.80829%0.286SS*.THydrogen-bonded Turntrans-84.2-20.2175.6-63.4-173.6-174.8176.22.6113.4N75 T79N75-R77 PolarHBondContact O-N 2.94Å; R77-T79 PolarHBondContact O-N 3.09Å
78H68.6Low79.2Confident119 Ų11953.4 Ų53.455%0.55129%0.292SS*.  trans-83.5123.5-174.2-66-75000110.6N75N75-H78 PolarHBondContact O-N 3.14Å
79T84Confident78.7Confident32 Ų3261.6 Ų61.620%0.19633%0.328CS..  trans-91.1129172.2-51.60000107.4R77 L100 N101 F102 Y142 R145R77-T79 PolarHBondContact O-N 3.09Å; T79-L100 HydrophobicContact CG2-CD1 3.34Å; T79-L100 HydrophobicContact CG2-CD2 4.29Å; T79-L100 HydrophobicContact CG2-CG 3.71Å; T79-N101 WeakPolarHBondContact CA-O 3.06Å; T79-N101 WeakPolarHBondContact CG2-O 3.46Å; T79-F102 HydrophobicContact CG2-CB 4.23Å; T79-Y142 HydrophobicContact CG2-CE1 3.76Å; T79-R145 PolarHBondContact OG1-NH1 3.19Å
80T89.3Confident77.8Confident71 Ų7169 Ų6944%0.43637%0.367SS..EExtended strand (participates in β ladder)trans-109.4139.3178.159.60000110N101T80-N101 PolarHBondContact N-O 3.47Å; T80-N101 PolarHBondContact O-N 2.97Å; T80-N101 WeakPolarHBondContact OG1-CB 3.35Å
81S92.5Very high77.4Confident13 Ų1368.9 Ų68.99%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-130.8139.2175.1-178.60000110S99 R138 N267S81-S99 WeakPolarHBondContact CA-O 3.15Å; S81-S99 WeakPolarHBondContact CB-O 3.19Å; S81-S99 PolarHBondContact OG-O 2.85Å; S81-R138 WeakPolarHBondContact OG-CD 3.37Å; S81-R138 WeakPolarHBondContact OG-CG 3.26Å; S81-R138 PolarHBondContact OG-NE 3.43Å; S81-N267 VanDerWaalsContact O-CB 3.23Å; S81-N267 WeakPolarHBondContact O-CB 3.15Å; S81-N267 VanDerWaalsContact O-CG 3.31Å; S81-N267 PolarHBondContact O-OD1 3.11Å
82F95.4Very high77.2Confident1 Ų170.6 Ų70.60%0.00438%0.383CS..EExtended strand (participates in β ladder)trans-153.3170.2-179.257-88.7000109.8F60 C61 P63 F84 S99 N101 Y266 N267 L292F60-F82 WeakPolarHBondContact O-CE2 2.9Å; C61-F82 WeakPolarHBondContact O-CZ 3.42Å; P63-F82 HydrophobicContact CG-CE2 4.16Å; P63-F82 HydrophobicContact CG-CZ 4.09Å; F82-F84 HydrophobicContact CE2-CD1 4.28Å; F82-S99 PolarHBondContact N-O 2.74Å; F82-S99 PolarHBondContact O-N 3.37Å; F82-N101 WeakPolarHBondContact CE1-ND2 3.19Å; F82-Y266 AromaticContact CD1-CD2 3.83Å; F82-Y266 HydrophobicContact CD1-CD2 3.83Å; F82-Y266 HydrophobicContact CD1-CG 4.45Å; F82-Y266 AromaticContact CE1-CD2 3.8Å; F82-Y266 HydrophobicContact CE1-CD2 3.8Å; F82-Y266 HydrophobicContact CG-CD2 4.32Å; F82-Y266 HydrophobicContact CZ-CD2 4.26Å; F82-N267 HydrophobicContact CB-CB 4.24Å; F82-L292 HydrophobicContact CD2-CD2 3.5Å; F82-L292 HydrophobicContact CE2-CD2 3.7Å; F82-L292 HydrophobicContact CG-CD2 4.33Å
83I95.9Very high77.8Confident0 Ų070.3 Ų70.30%037%0.373CS..EExtended strand (participates in β ladder)trans-118139.7-176.1-58.4144.8000108.9G97 F134 S270 I271 L274I83-G97 CarbonylContact C-O 3.5Å; I83-G97 WeakPolarHBondContact CA-O 3.04Å; I83-F134 HydrophobicContact CD1-CB 3.82Å; I83-F134 HydrophobicContact CD1-CD1 4.44Å; I83-F134 HydrophobicContact CD1-CD2 3.5Å; I83-F134 VanDerWaalsContact CD1-CD2 3.5Å; I83-F134 HydrophobicContact CD1-CE2 4.14Å; I83-F134 HydrophobicContact CD1-CG 3.67Å; I83-F134 HydrophobicContact CG1-CB 4.25Å; I83-F134 HydrophobicContact CG1-CD1 4.43Å; I83-F134 HydrophobicContact CG1-CD2 4.32Å; I83-F134 HydrophobicContact CG1-CG 4.09Å; I83-F134 HydrophobicContact CG2-CD1 4.33Å; I83-F134 HydrophobicContact CG2-CE1 4.13Å; I83-F134 HydrophobicContact CG2-CE2 4.43Å; I83-F134 HydrophobicContact CG2-CZ 4.18Å; I83-S270 WeakPolarHBondContact O-CB 3.39Å; I83-S270 PolarHBondContact O-OG 2.85Å; I83-I271 HydrophobicContact CD1-CG1 4.27Å; I83-L274 HydrophobicContact CG2-CD1 4.21Å
84F96.2Very high78.8Confident0 Ų072 Ų720%038%0.38CS..EExtended strand (participates in β ladder)trans-129.5170.5166.563-94.4000110.1V57 F60 F82 L86 Y96 G97 I128 L292V57-F84 HydrophobicContact CG2-CE2 4.18Å; V57-F84 HydrophobicContact CG2-CZ 4.01Å; F60-F84 HydrophobicContact CB-CB 4.36Å; F60-F84 HydrophobicContact CB-CD1 3.9Å; F60-F84 HydrophobicContact CB-CD2 3.56Å; F60-F84 HydrophobicContact CB-CE1 3.97Å; F60-F84 HydrophobicContact CB-CE2 3.65Å; F60-F84 HydrophobicContact CB-CG 3.69Å; F60-F84 HydrophobicContact CB-CZ 3.84Å; F60-F84 HydrophobicContact CD1-CB 3.89Å; F60-F84 AromaticContact CD1-CD2 3.94Å; F60-F84 HydrophobicContact CD1-CD2 3.94Å; F60-F84 HydrophobicContact CD1-CG 4.05Å; F60-F84 AromaticContact CG-CD2 3.93Å; F60-F84 HydrophobicContact CG-CD2 3.93Å; F60-F84 HydrophobicContact CG-CE2 4.29Å; F60-F84 HydrophobicContact CG-CG 4.25Å; F82-F84 HydrophobicContact CE2-CD1 4.28Å; F84-L86 HydrophobicContact CD2-CD2 4.19Å; F84-L86 HydrophobicContact CD2-CG 4.24Å; F84-L86 HydrophobicContact CE2-CD1 4.27Å; F84-L86 HydrophobicContact CE2-CD2 4.15Å; F84-L86 HydrophobicContact CE2-CG 4.02Å; F84-Y96 WeakPolarHBondContact O-CA 3.09Å; F84-G97 WeakPolarHBondContact CD1-O 3.49Å; F84-G97 PolarHBondContact N-O 2.97Å; F84-G97 PolarHBondContact O-N 3.41Å; F84-I128 HydrophobicContact CE2-CD1 3.97Å; F84-I128 HydrophobicContact CZ-CD1 3.74Å; F84-L292 HydrophobicContact CB-CB 4.49Å
85A94.8Very high80.2Confident11 Ų1166.1 Ų66.19%0.09134%0.341CS..EExtended strand (participates in β ladder)trans-131.5141.2177.200000110.7I94 R95 Y96 P291A85-I94 HydrophobicContact CB-CG2 3.9Å; A85-R95 CarbonylContact C-O 3.57Å; A85-R95 WeakPolarHBondContact CA-O 3.34Å; A85-Y96 HydrophobicContact CB-CD1 4.31Å; A85-P291 HydrophobicContact CB-CG 3.9Å
86L92.3Very high82Confident20 Ų2063.1 Ų63.111%0.10532%0.322CS..EExtended strand (participates in β ladder)trans-112.8122.2171-54.5176000107.9P54 V57 F60 F84 R95P54-L86 HydrophobicContact CG-CD1 4.4Å; V57-L86 HydrophobicContact CG2-CD1 4.23Å; F60-L86 HydrophobicContact CD2-CD2 3.97Å; F60-L86 HydrophobicContact CE2-CD2 4.03Å; F60-L86 HydrophobicContact CG-CD2 4.29Å; F60-L86 HydrophobicContact CZ-CD2 4.38Å; F84-L86 HydrophobicContact CD2-CD2 4.19Å; F84-L86 HydrophobicContact CD2-CG 4.24Å; F84-L86 HydrophobicContact CE2-CD1 4.27Å; F84-L86 HydrophobicContact CE2-CD2 4.15Å; F84-L86 HydrophobicContact CE2-CG 4.02Å; L86-R95 HydrophobicContact CB-CB 4.36Å; L86-R95 PolarHBondContact N-O 2.94Å; L86-R95 PolarHBondContact O-N 3.44Å
87T87.3Confident83.9Confident87 Ų8761.2 Ų61.253%0.53431%0.313SS..EExtended strand (participates in β ladder)trans-102.1121.8-179.9-52.80000109.3
88E80.4Confident86.1Confident67 Ų6751.1 Ų51.131%0.31328%0.275SS..PPolyproline II helixtrans-72.2136.9177.4-174.6179.7-147.900110.7S91 A92 K93E88-S91 WeakPolarHBondContact CB-OG 3.43Å; E88-S91 WeakPolarHBondContact CG-OG 3.26Å; E88-S91 PolarHBondContact OE2-OG 3.46Å; E88-A92 PolarHBondContact O-N 3.5Å; E88-K93 HydrophobicContact CB-CB 4.48Å; E88-K93 PolarHBondContact N-O 3.43Å
89K73Confident87.4Confident173 Ų17345.4 Ų45.475%0.75225%0.249SC*.THydrogen-bonded Turntrans-64.3139.9178.1-166.4-175.5172.2-175.50109.7S91K89-S91 PolarHBondContact O-N 3.49Å
90D64.8Low88Confident156 Ų15643.9 Ų43.983%0.83424%0.239SC*.THydrogen-bonded Turntrans69.7-39.1176.9-47.7-44.4000116.1
91S70.4Confident88.2Confident52 Ų5240.7 Ų40.736%0.36422%0.219SC..THydrogen-bonded Turntrans-81.2-21.8179.679.20000113.4E88 K89 K93E88-S91 WeakPolarHBondContact CB-OG 3.43Å; E88-S91 WeakPolarHBondContact CG-OG 3.26Å; E88-S91 PolarHBondContact OE2-OG 3.46Å; K89-S91 PolarHBondContact O-N 3.49Å; S91-K93 PolarHBondContact O-N 2.8Å; S91-K93 VanDerWaalsContact O-N 3.09Å; S91-K93 WeakPolarHBondContact OG-CB 3.41Å; S91-K93 WeakPolarHBondContact OG-CG 3.45Å; S91-K93 PolarHBondContact OG-N 3.29Å; S91-K93 VanDerWaalsContact OG-N 3.11Å
92A70.6Confident88.2Confident73 Ų7340.2 Ų40.260%0.60322%0.216SC*.  trans53.819.2-169.600000113.7E88E88-A92 PolarHBondContact O-N 3.5Å
93K81.5Confident87.9Confident77 Ų7742.1 Ų42.134%0.33522%0.224SC..  trans-70.2135.5173-69.5-178.6178.7-178.10109D7 E88 S91D7-K93 IonicContact OD2-NZ 3.57Å; E88-K93 HydrophobicContact CB-CB 4.48Å; E88-K93 PolarHBondContact N-O 3.43Å; S91-K93 PolarHBondContact O-N 2.8Å; S91-K93 VanDerWaalsContact O-N 3.09Å; S91-K93 WeakPolarHBondContact OG-CB 3.41Å; S91-K93 WeakPolarHBondContact OG-CG 3.45Å; S91-K93 PolarHBondContact OG-N 3.29Å; S91-K93 VanDerWaalsContact OG-N 3.11Å
94I88Confident87.5Confident70 Ų7042.8 Ų42.836%0.35923%0.227SC..EExtended strand (participates in β ladder)trans-101.9141.1-179.5-58175000109A85 Y96A85-I94 HydrophobicContact CB-CG2 3.9Å; I94-Y96 HydrophobicContact CG2-CD1 4.24Å; I94-Y96 HydrophobicContact CG2-CE1 3.83Å; I94-Y96 HydrophobicContact CG2-CE2 4.26Å
95R92.1Very high86.9Confident2 Ų246.4 Ų46.41%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-121123.9167.9-59.7-78.6-174.1-78.1-5.2108.3D14 F51 A85 L86 I128 S129 H130D14-R95 IonicContact OD2-NE 3.61Å; F51-R95 HydrophobicContact CD1-CG 4.36Å; F51-R95 HydrophobicContact CD2-CG 4.34Å; F51-R95 HydrophobicContact CE1-CG 3.87Å; F51-R95 HydrophobicContact CE2-CG 3.84Å; F51-R95 HydrophobicContact CZ-CB 4.24Å; F51-R95 HydrophobicContact CZ-CG 3.61Å; A85-R95 CarbonylContact C-O 3.57Å; A85-R95 WeakPolarHBondContact CA-O 3.34Å; L86-R95 HydrophobicContact CB-CB 4.36Å; L86-R95 PolarHBondContact N-O 2.94Å; L86-R95 PolarHBondContact O-N 3.44Å; R95-I128 HydrophobicContact CB-CG2 3.98Å; R95-S129 CarbonylContact C-O 3.49Å; R95-H130 WeakPolarHBondContact CD-ND1 3.39Å; R95-H130 VanDerWaalsContact CZ-CD2 3.42Å; R95-H130 PolarHBondContact NE-CE1 2.83Å; R95-H130 PolarHBondContact NE-ND1 2.73Å; R95-H130 PolarHBondContact NH1-CD2 2.72Å; R95-H130 PolarHBondContact NH1-CE1 3.19Å; R95-H130 VanDerWaalsContact NH1-CE1 3.3Å; R95-H130 PolarHBondContact NH1-NE2 3.34Å; R95-H130 PolarHBondContact NH2-CE1 3.19Å; R95-H130 PolarHBondContact NH2-NE2 2.78Å
96Y95.5Very high86.1Confident48 Ų4846 Ų4619%0.18824%0.237CC..EExtended strand (participates in β ladder)trans-88.1133.3176.4-58.8-75000110.3F84 A85 I94 I128 S129 P132 F134 L274F84-Y96 WeakPolarHBondContact O-CA 3.09Å; A85-Y96 HydrophobicContact CB-CD1 4.31Å; I94-Y96 HydrophobicContact CG2-CD1 4.24Å; I94-Y96 HydrophobicContact CG2-CE1 3.83Å; I94-Y96 HydrophobicContact CG2-CE2 4.26Å; Y96-I128 CarbonylContact O-C 3.59Å; Y96-I128 WeakPolarHBondContact O-CA 3.04Å; Y96-S129 PolarHBondContact N-O 2.62Å; Y96-S129 PolarHBondContact O-N 3.21Å; Y96-P132 HydrophobicContact CD2-CB 4.31Å; Y96-P132 HydrophobicContact CE2-CB 4.04Å; Y96-F134 AromaticContact CD1-CE1 3.76Å; Y96-F134 HydrophobicContact CD1-CE1 3.76Å; Y96-F134 AromaticContact CD1-CZ 3.63Å; Y96-F134 HydrophobicContact CD1-CZ 3.63Å; Y96-F134 AromaticContact CD2-CE1 3.97Å; Y96-F134 HydrophobicContact CD2-CE1 3.97Å; Y96-F134 HydrophobicContact CD2-CZ 4.28Å; Y96-F134 HydrophobicContact CE1-CE1 4.43Å; Y96-F134 AromaticContact CE1-CZ 3.91Å; Y96-F134 HydrophobicContact CE1-CZ 3.91Å; Y96-F134 AromaticContact CG-CE1 3.49Å; Y96-F134 HydrophobicContact CG-CE1 3.49Å; Y96-F134 VanDerWaalsContact CG-CE1 3.49Å; Y96-F134 AromaticContact CG-CZ 3.83Å; Y96-F134 HydrophobicContact CG-CZ 3.83Å; Y96-L274 HydrophobicContact CE1-CD2 4.44Å
97G97.1Very high85.2Confident0 Ų045.6 Ų45.60%024%0.236CC..EExtended strand (participates in β ladder)trans-105.4117.217000000110.4I83 F84 I127I83-G97 CarbonylContact C-O 3.5Å; I83-G97 WeakPolarHBondContact CA-O 3.04Å; F84-G97 WeakPolarHBondContact CD1-O 3.49Å; F84-G97 PolarHBondContact N-O 2.97Å; F84-G97 PolarHBondContact O-N 3.41Å; G97-I127 CarbonylContact C-O 3.59Å; G97-I127 WeakPolarHBondContact CA-O 3.49Å
98V97.9Very high84.1Confident1 Ų142.1 Ų42.11%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-97.8111.6171.5-177.10000107C126 I127 F134 F137 R138 L141V98-C126 VanDerWaalsContact O-CA 3.23Å; V98-C126 WeakPolarHBondContact O-CA 2.91Å; V98-C126 PolarHBondContact O-SG 3.14Å; V98-I127 PolarHBondContact N-O 3.42Å; V98-I127 PolarHBondContact O-N 3.02Å; V98-F134 HydrophobicContact CG2-CB 4.47Å; V98-F134 HydrophobicContact CG2-CD1 4.04Å; V98-F137 HydrophobicContact CB-CB 4.26Å; V98-F137 HydrophobicContact CG1-CB 4.42Å; V98-F137 HydrophobicContact CG2-CB 4.02Å; V98-F137 HydrophobicContact CG2-CD2 4.28Å; V98-R138 HydrophobicContact CG1-CB 4.01Å; V98-L141 HydrophobicContact CG1-CD1 4.23Å; V98-L141 VanDerWaalsContact O-CD1 3.27Å; V98-L141 WeakPolarHBondContact O-CD1 3.46Å
99S97.3Very high83.1Confident0 Ų045.8 Ų45.80%023%0.225CC..EExtended strand (participates in β ladder)trans-104.2145-177.9-160.60000111.1S81 F82 N101S81-S99 WeakPolarHBondContact CA-O 3.15Å; S81-S99 WeakPolarHBondContact CB-O 3.19Å; S81-S99 PolarHBondContact OG-O 2.85Å; F82-S99 PolarHBondContact N-O 2.74Å; F82-S99 PolarHBondContact O-N 3.37Å; S99-N101 PolarHBondContact OG-OD1 3.39Å
100L96.3Very high82.2Confident0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-127.1107.7173.1-172.773.1000109.1T79 F102 S124 L125 L141 Y142T79-L100 HydrophobicContact CG2-CD1 3.34Å; T79-L100 HydrophobicContact CG2-CD2 4.29Å; T79-L100 HydrophobicContact CG2-CG 3.71Å; L100-F102 HydrophobicContact CG-CD1 4.38Å; L100-S124 WeakPolarHBondContact O-CA 3.42Å; L100-L125 PolarHBondContact N-O 2.95Å; L100-L125 PolarHBondContact O-N 3.25Å; L100-L141 HydrophobicContact CB-CB 4.08Å; L100-L141 HydrophobicContact CB-CD1 4.04Å; L100-L141 HydrophobicContact CD2-CB 3.93Å; L100-Y142 HydrophobicContact CD1-CD1 4.21Å; L100-Y142 HydrophobicContact CD1-CD2 4.47Å; L100-Y142 HydrophobicContact CD1-CE1 3.67Å; L100-Y142 HydrophobicContact CD1-CE2 3.98Å; L100-Y142 HydrophobicContact CD2-CD1 4.01Å; L100-Y142 HydrophobicContact CD2-CE1 4.24Å; L100-Y142 HydrophobicContact CD2-CG 4.33Å
101N93.9Very high81.5Confident4 Ų441.4 Ų41.42%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-103.8132.2-176.1-71.514.1000110.6C61 T79 T80 F82 S99 L122 V123 S124C61-N101 PolarHBondContact O-ND2 2.92Å; C61-N101 PolarHBondContact O-OD1 2.55Å; C61-N101 VanDerWaalsContact O-OD1 3.12Å; T79-N101 WeakPolarHBondContact CA-O 3.06Å; T79-N101 WeakPolarHBondContact CG2-O 3.46Å; T80-N101 PolarHBondContact N-O 3.47Å; T80-N101 PolarHBondContact O-N 2.97Å; T80-N101 WeakPolarHBondContact OG1-CB 3.35Å; F82-N101 WeakPolarHBondContact CE1-ND2 3.19Å; S99-N101 PolarHBondContact OG-OD1 3.39Å; N101-L122 HydrophobicContact CB-CD1 4.19Å; N101-V123 WeakPolarHBondContact CA-O 3.5Å; N101-S124 WeakPolarHBondContact OD1-CB 3.35Å; N101-S124 PolarHBondContact OD1-OG 3.38Å
102F92.1Very high80.4Confident2 Ų250.6 Ų50.61%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-153.9156.7176.954-86000111.2T79 L100 Q104 V123 L125 R145 W162T79-F102 HydrophobicContact CG2-CB 4.23Å; L100-F102 HydrophobicContact CG-CD1 4.38Å; F102-Q104 HydrophobicContact CD2-CB 4.45Å; F102-Q104 HydrophobicContact CE2-CB 4.26Å; F102-V123 HydrophobicContact CE2-CB 4.1Å; F102-V123 HydrophobicContact CE2-CG1 4.22Å; F102-V123 HydrophobicContact CZ-CB 4.24Å; F102-V123 HydrophobicContact CZ-CG1 3.93Å; F102-V123 PolarHBondContact N-O 3.04Å; F102-V123 PolarHBondContact O-N 3.46Å; F102-L125 HydrophobicContact CE1-CD1 3.96Å; F102-L125 HydrophobicContact CE1-CG 3.85Å; F102-L125 HydrophobicContact CZ-CD1 4.13Å; F102-L125 HydrophobicContact CZ-CG 4.08Å; F102-R145 VanDerWaalsContact CB-CZ 3.42Å; F102-R145 VanDerWaalsContact CD2-CZ 3.5Å; F102-R145 VanDerWaalsContact CD2-NE 3.32Å; F102-R145 HydrophobicContact CE1-CG 4.14Å; F102-R145 HydrophobicContact CE2-CG 4.32Å; F102-R145 HydrophobicContact CZ-CG 3.96Å; F102-W162 AromaticContact CE2-CH2 3.89Å; F102-W162 HydrophobicContact CE2-CH2 3.89Å; F102-W162 HydrophobicContact CE2-CZ2 4.19Å; F102-W162 HydrophobicContact CE2-CZ3 4.32Å; F102-W162 AromaticContact CZ-CH2 3.58Å; F102-W162 HydrophobicContact CZ-CH2 3.58Å; F102-W162 HydrophobicContact CZ-CZ2 4.25Å; F102-W162 HydrophobicContact CZ-CZ3 4.07Å
103F88.3Confident79.3Confident41 Ų4154.2 Ų54.218%0.1824%0.241CC..EExtended strand (participates in β ladder)trans-83.3121.1172.6-75.1-83.5000110.5T67 M76 S121 L122T67-F103 WeakPolarHBondContact OG1-CE1 3.48Å; T67-F103 VanDerWaalsContact OG1-CZ 3.29Å; T67-F103 WeakPolarHBondContact OG1-CZ 3.26Å; M76-F103 HydrophobicContact CG-CB 3.44Å; M76-F103 VanDerWaalsContact CG-CB 3.44Å; M76-F103 HydrophobicContact CG-CD2 4.18Å; M76-F103 HydrophobicContact CG-CG 3.85Å; F103-S121 WeakPolarHBondContact CA-O 3.3Å; F103-L122 HydrophobicContact CD1-CB 4.44Å; F103-L122 HydrophobicContact CD2-CD1 4.46Å; F103-L122 HydrophobicContact CE1-CB 4.11Å; F103-L122 HydrophobicContact CE2-CD1 4.23Å; F103-L122 HydrophobicContact CZ-CD1 4.26Å
104Q87.2Confident77.9Confident14 Ų1461.1 Ų61.17%0.06527%0.271CS..EExtended strand (participates in β ladder)trans-101.1136.3173.7-175.451.944.900110F102 L106 Y120 S121 V123 D159 W162 L166F102-Q104 HydrophobicContact CD2-CB 4.45Å; F102-Q104 HydrophobicContact CE2-CB 4.26Å; Q104-L106 HydrophobicContact CG-CD2 4.11Å; Q104-Y120 WeakPolarHBondContact O-CA 3.18Å; Q104-S121 PolarHBondContact N-O 3.18Å; Q104-S121 PolarHBondContact O-N 3.21Å; Q104-V123 HydrophobicContact CB-CB 4.3Å; Q104-V123 HydrophobicContact CB-CG2 3.66Å; Q104-D159 PolarHBondContact NE2-OD1 3.11Å; Q104-W162 HydrophobicContact CG-CB 4.25Å; Q104-W162 HydrophobicContact CG-CD2 4.11Å; Q104-W162 HydrophobicContact CG-CE3 4.41Å; Q104-W162 HydrophobicContact CG-CG 4.05Å; Q104-L166 HydrophobicContact CG-CD1 4.14Å
105R83.2Confident76Confident77 Ų7762.7 Ų62.729%0.29128%0.283SS..EExtended strand (participates in β ladder)trans-77131.9172-167.9177.467.7-168.1-5.7109.1I119 Y120 S158 D159R105-I119 WeakPolarHBondContact CA-O 3.47Å; R105-Y120 HydrophobicContact CB-CD1 3.86Å; R105-Y120 HydrophobicContact CB-CE1 3.63Å; R105-Y120 HydrophobicContact CG-CD1 4.08Å; R105-Y120 HydrophobicContact CG-CE1 3.61Å; R105-S158 PolarHBondContact NH2-O 3.39Å; R105-D159 IonicContact CZ-OD2 4Å; R105-D159 VanDerWaalsContact CZ-OD2 3.31Å; R105-D159 IonicContact NE-OD2 3.53Å; R105-D159 PolarHBondContact NE-OD2 3.36Å; R105-D159 IonicContact NH2-OD1 2.8Å; R105-D159 IonicContact NH2-OD2 2.87Å; R105-D159 PolarHBondContact NH2-OD2 3.39Å
106L78.7Confident74.4Confident2 Ų266.4 Ų66.41%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-125141.3176-51.2172.9000110Q104 I119 L166Q104-L106 HydrophobicContact CG-CD2 4.11Å; L106-I119 HydrophobicContact CB-CD1 4.23Å; L106-I119 HydrophobicContact CB-CG1 3.93Å; L106-I119 HydrophobicContact CD1-CD1 4.21Å; L106-I119 PolarHBondContact N-O 3.29Å; L106-I119 PolarHBondContact O-N 3.31Å; L106-L166 HydrophobicContact CD2-CD1 3.43Å; L106-L166 VanDerWaalsContact CD2-CD1 3.43Å
107S73.6Confident73.1Confident12 Ų1271.9 Ų71.98%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-105.7110.4174.3-57.70000111.2H116 E163S107-H116 WeakPolarHBondContact CB-CE1 3.29Å; S107-H116 PolarHBondContact OG-CE1 2.77Å; S107-H116 PolarHBondContact OG-NE2 2.95Å; S107-E163 WeakPolarHBondContact CB-OE1 3.42Å; S107-E163 PolarHBondContact N-OE1 2.9Å
108L65.1Low72.1Confident14 Ų1478.4 Ų78.47%0.07335%0.346CS..EExtended strand (participates in β ladder)trans-88.1118176.3-58.7178000110A24 R117 I119 V168A24-L108 HydrophobicContact CB-CD1 3.75Å; A24-L108 HydrophobicContact CB-CD2 3.81Å; A24-L108 HydrophobicContact CB-CG 4.34Å; A24-L108 WeakPolarHBondContact O-CD1 3.45Å; L108-R117 PolarHBondContact N-O 2.94Å; L108-R117 VanDerWaalsContact N-O 3.12Å; L108-I119 HydrophobicContact CD1-CD1 3.81Å; L108-I119 HydrophobicContact CD1-CG1 4.15Å; L108-I119 HydrophobicContact CD1-CG2 4.36Å; L108-I119 HydrophobicContact CD2-CD1 4.41Å; L108-I119 HydrophobicContact CG-CD1 4.11Å; L108-I119 HydrophobicContact CG-CG1 4.16Å; L108-V168 HydrophobicContact CD2-CG1 3.79Å
109R57.8Low71.3Confident144 Ų14478.4 Ų78.454%0.54335%0.346SS..EExtended strand (participates in β ladder)trans-95.6117.9165.6-91.5-175.3172.5-173.73.1109.6L170 E171R109-L170 HydrophobicContact CB-CD1 4.34Å; R109-L170 WeakPolarHBondContact O-CD1 3.12Å; R109-E171 IonicContact CZ-OE1 3.77Å; R109-E171 IonicContact NH1-OE1 3.68Å; R109-E171 PolarHBondContact NH1-OE1 2.87Å; R109-E171 IonicContact NH1-OE2 2.84Å
110G54.1Low70.8Confident40 Ų4080.2 Ų80.241%0.41235%0.353SS..EExtended strand (participates in β ladder)trans-75138.8172.700000111R112 Q113G110-R112 PolarHBondContact O-N 3.45Å; G110-Q113 PolarHBondContact O-N 3.48Å
111K50.3Low70.4Confident197 Ų19780.2 Ų80.286%0.85735%0.353SS*.THydrogen-bonded Turntrans-53.5-12174.2-73.1-175.2177.3179.10114.7L170K111-L170 HydrophobicContact CG-CD2 4.42Å
112R48Very low70.2Confident245 Ų24581.1 Ų81.193%0.92536%0.358SS*.THydrogen-bonded Turntrans-137.24.3-178.4-75.9-173.9172.7172.6-2.4116G110G110-R112 PolarHBondContact O-N 3.45Å
113Q48.3Very low70.3Confident148 Ų14881 Ų8169%0.69236%0.358SS*.EExtended strand (participates in β ladder)trans-127126.4-177.6-79.6-177.5-1200111.9G110 V115G110-Q113 PolarHBondContact O-N 3.48Å; Q113-V115 PolarHBondContact O-N 3.24Å; Q113-V115 VanDerWaalsContact O-N 3.13Å
114K50.3Low70.6Confident222 Ų22279.1 Ų79.197%0.96535%0.349SS*.EExtended strand (participates in β ladder)trans-67.80.3173.8-77.2-176176.21790114
115V49.5Very low71.1Confident103 Ų10378.4 Ų78.462%0.62435%0.346SS*.EExtended strand (participates in β ladder)trans-93112.6-176.4-176.10000109.6Q113 R117Q113-V115 PolarHBondContact O-N 3.24Å; Q113-V115 VanDerWaalsContact O-N 3.13Å; V115-R117 PolarHBondContact O-N 3.42Å
116H58.9Low71.8Confident81 Ų8174.8 Ų74.838%0.37533%0.332SS..EExtended strand (participates in β ladder)trans-74.6107.5173.1-17581.4000109S107S107-H116 WeakPolarHBondContact CB-CE1 3.29Å; S107-H116 PolarHBondContact OG-CE1 2.77Å; S107-H116 PolarHBondContact OG-NE2 2.95Å
117R67.8Low72.8Confident162 Ų16274.7 Ų74.761%0.61133%0.332SS*.EExtended strand (participates in β ladder)trans-99.6120.6176.8-128.7177.9-177.5174.7-1.1108.7L108 V115L108-R117 PolarHBondContact N-O 2.94Å; L108-R117 VanDerWaalsContact N-O 3.12Å; V115-R117 PolarHBondContact O-N 3.42Å
118R75.4Confident73.9Confident137 Ų13774.1 Ų74.152%0.51733%0.328SS..EExtended strand (participates in β ladder)trans-89.4132.6176.3-66.6177.4-179.7165.90.8109.1
119I82.1Confident75.3Confident2 Ų273.5 Ų73.51%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-128.9162.1173.459.3153.3000109.2A24 F28 V68 S69 R105 L106 L108A24-I119 HydrophobicContact CB-CD1 3.38Å; F28-I119 HydrophobicContact CE2-CG2 3.96Å; F28-I119 HydrophobicContact CZ-CG2 3.93Å; V68-I119 HydrophobicContact CG1-CB 4.39Å; V68-I119 HydrophobicContact CG1-CD1 3.89Å; S69-I119 CarbonylContact O-C 3.58Å; S69-I119 WeakPolarHBondContact O-CA 3.44Å; R105-I119 WeakPolarHBondContact CA-O 3.47Å; L106-I119 HydrophobicContact CB-CD1 4.23Å; L106-I119 HydrophobicContact CB-CG1 3.93Å; L106-I119 HydrophobicContact CD1-CD1 4.21Å; L106-I119 PolarHBondContact N-O 3.29Å; L106-I119 PolarHBondContact O-N 3.31Å; L108-I119 HydrophobicContact CD1-CD1 3.81Å; L108-I119 HydrophobicContact CD1-CG1 4.15Å; L108-I119 HydrophobicContact CD1-CG2 4.36Å; L108-I119 HydrophobicContact CD2-CD1 4.41Å; L108-I119 HydrophobicContact CG-CD1 4.11Å; L108-I119 HydrophobicContact CG-CG1 4.16Å
120Y85.3Confident76.9Confident37 Ų3768.2 Ų68.215%0.14531%0.306CS..EExtended strand (participates in β ladder)trans-118.2126.5172.1-62.4-81.8000108.4V68 S69 P72 M76 Q104 R105V68-Y120 CarbonylContact C-O 3.32Å; V68-Y120 VanDerWaalsContact CA-O 3.31Å; V68-Y120 WeakPolarHBondContact CA-O 3.26Å; S69-Y120 PolarHBondContact N-O 3.45Å; S69-Y120 PolarHBondContact O-N 2.95Å; P72-Y120 HydrophobicContact CB-CE2 4.35Å; P72-Y120 HydrophobicContact CG-CE2 3.82Å; M76-Y120 HydrophobicContact CE-CD1 3.32Å; M76-Y120 HydrophobicContact CE-CD2 4.44Å; M76-Y120 HydrophobicContact CE-CE1 3.07Å; M76-Y120 HydrophobicContact CE-CE2 4.25Å; M76-Y120 HydrophobicContact CE-CG 4.01Å; M76-Y120 HydrophobicContact CG-CD1 4.45Å; M76-Y120 HydrophobicContact SD-CD1 3.25Å; M76-Y120 WeakPolarHBondContact SD-CD1 2.89Å; M76-Y120 HydrophobicContact SD-CD2 3.67Å; M76-Y120 HydrophobicContact SD-CE1 3.57Å; M76-Y120 VanDerWaalsContact SD-CE1 3.57Å; M76-Y120 HydrophobicContact SD-CE2 3.97Å; M76-Y120 HydrophobicContact SD-CG 3.29Å; Q104-Y120 WeakPolarHBondContact O-CA 3.18Å; R105-Y120 HydrophobicContact CB-CD1 3.86Å; R105-Y120 HydrophobicContact CB-CE1 3.63Å; R105-Y120 HydrophobicContact CG-CD1 4.08Å; R105-Y120 HydrophobicContact CG-CE1 3.61Å
121S87.9Confident78.7Confident1 Ų166.9 Ų66.91%0.00729%0.289CS..EExtended strand (participates in β ladder)trans-123.4139.5-179.3176.90000110.1F103 Q104 V123F103-S121 WeakPolarHBondContact CA-O 3.3Å; Q104-S121 PolarHBondContact N-O 3.18Å; Q104-S121 PolarHBondContact O-N 3.21Å; S121-V123 PolarHBondContact O-N 3.24Å
122L91.1Very high80.5Confident22 Ų2258.6 Ų58.612%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-68.1119.4172.8-173.667.7000110.2Q62 C66 T67 N101 F103Q62-L122 HydrophobicContact CG-CD2 4.26Å; Q62-L122 PolarHBondContact NE2-O 2.81Å; C66-L122 PolarHBondContact SG-O 3.47Å; C66-L122 VanDerWaalsContact SG-O 3.38Å; T67-L122 PolarHBondContact O-N 3.12Å; N101-L122 HydrophobicContact CB-CD1 4.19Å; F103-L122 HydrophobicContact CD1-CB 4.44Å; F103-L122 HydrophobicContact CD2-CD1 4.46Å; F103-L122 HydrophobicContact CE1-CB 4.11Å; F103-L122 HydrophobicContact CE2-CD1 4.23Å; F103-L122 HydrophobicContact CZ-CD1 4.26Å
123V92.7Very high82.6Confident1 Ų147 Ų471%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-114.2141.2175175.50000108.8I18 V19 N101 F102 Q104 S121 L166I18-V123 HydrophobicContact CG2-CG1 4.27Å; V19-V123 WeakPolarHBondContact O-CA 3.41Å; N101-V123 WeakPolarHBondContact CA-O 3.5Å; F102-V123 HydrophobicContact CE2-CB 4.1Å; F102-V123 HydrophobicContact CE2-CG1 4.22Å; F102-V123 HydrophobicContact CZ-CB 4.24Å; F102-V123 HydrophobicContact CZ-CG1 3.93Å; F102-V123 PolarHBondContact N-O 3.04Å; F102-V123 PolarHBondContact O-N 3.46Å; Q104-V123 HydrophobicContact CB-CB 4.3Å; Q104-V123 HydrophobicContact CB-CG2 3.66Å; S121-V123 PolarHBondContact O-N 3.24Å; V123-L166 HydrophobicContact CG1-CD2 3.85Å; V123-L166 HydrophobicContact CG2-CD1 3.98Å; V123-L166 HydrophobicContact CG2-CD2 3.86Å
124S95.6Very high84.7Confident0 Ų040 Ų400%018%0.179CC..EExtended strand (participates in β ladder)trans-121.3124.3175.1-56.50000110I18 V19 C61 Q62 L100 N101I18-S124 WeakPolarHBondContact CA-O 3.35Å; V19-S124 PolarHBondContact N-O 2.92Å; V19-S124 PolarHBondContact O-N 3.33Å; C61-S124 PolarHBondContact O-OG 3.43Å; Q62-S124 WeakPolarHBondContact CG-OG 3.16Å; Q62-S124 PolarHBondContact NE2-OG 3.31Å; Q62-S124 VanDerWaalsContact NE2-OG 3.13Å; L100-S124 WeakPolarHBondContact O-CA 3.42Å; N101-S124 WeakPolarHBondContact OD1-CB 3.35Å; N101-S124 PolarHBondContact OD1-OG 3.38Å
125L97.5Very high86.5Confident0 Ų031 Ų310%014%0.143CC..EExtended strand (participates in β ladder)trans-96.3131.3162.4-58.6176.3000107.8I18 L100 F102 L141 L144 R145I18-L125 HydrophobicContact CB-CD2 4.45Å; I18-L125 HydrophobicContact CD1-CD2 4.15Å; I18-L125 HydrophobicContact CG1-CD2 3.81Å; I18-L125 HydrophobicContact CG2-CD2 4.21Å; L100-L125 PolarHBondContact N-O 2.95Å; L100-L125 PolarHBondContact O-N 3.25Å; F102-L125 HydrophobicContact CE1-CD1 3.96Å; F102-L125 HydrophobicContact CE1-CG 3.85Å; F102-L125 HydrophobicContact CZ-CD1 4.13Å; F102-L125 HydrophobicContact CZ-CG 4.08Å; L125-L141 HydrophobicContact CB-CD2 3.82Å; L125-L144 HydrophobicContact CD1-CD2 4.42Å; L125-L144 HydrophobicContact CD1-CG 4.46Å; L125-R145 HydrophobicContact CD1-CB 3.95Å
126C98.3Very high88.5Confident0 Ų028.6 Ų28.60%012%0.124CC..EExtended strand (participates in β ladder)trans-138.9135.5-178.7178.80000112.6L16 V17 V98L16-C126 CarbonylContact C-O 3.56Å; L16-C126 WeakPolarHBondContact CA-O 3.16Å; V17-C126 HydrophobicContact CG2-CB 3.64Å; V17-C126 PolarHBondContact N-O 3.49Å; V17-C126 PolarHBondContact O-N 3.05Å; V98-C126 VanDerWaalsContact O-CA 3.23Å; V98-C126 WeakPolarHBondContact O-CA 2.91Å; V98-C126 PolarHBondContact O-SG 3.14Å
127I98.3Very high90.2Very high1 Ų124.8 Ų24.81%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-99.8129.1170.5-78.5170.6000108.4I13 L16 G97 V98 F137 L140 L141I13-I127 HydrophobicContact CD1-CD1 4.15Å; I13-I127 HydrophobicContact CD1-CG2 4.36Å; I13-I127 HydrophobicContact CG1-CG2 4.06Å; I13-I127 HydrophobicContact CG2-CG2 3.85Å; L16-I127 HydrophobicContact CD1-CG1 4.33Å; G97-I127 CarbonylContact C-O 3.59Å; G97-I127 WeakPolarHBondContact CA-O 3.49Å; V98-I127 PolarHBondContact N-O 3.42Å; V98-I127 PolarHBondContact O-N 3.02Å; I127-F137 HydrophobicContact CB-CB 4.5Å; I127-F137 HydrophobicContact CD1-CB 4.1Å; I127-F137 HydrophobicContact CD1-CD1 4.38Å; I127-F137 HydrophobicContact CD1-CG 4.49Å; I127-F137 HydrophobicContact CG2-CB 4.16Å; I127-F137 HydrophobicContact CG2-CD1 4.2Å; I127-F137 HydrophobicContact CG2-CD2 4.05Å; I127-F137 HydrophobicContact CG2-CE2 4.48Å; I127-F137 HydrophobicContact CG2-CG 3.9Å; I127-L140 HydrophobicContact CD1-CB 4.26Å; I127-L141 HydrophobicContact CD1-CD2 3.94Å; I127-L141 HydrophobicContact CD1-CG 3.86Å; I127-L141 HydrophobicContact CG1-CD1 4.44Å; I127-L141 HydrophobicContact CG1-CD2 3.81Å; I127-L141 HydrophobicContact CG1-CG 4.1Å
128I97.5Very high91.5Very high0 Ų019.6 Ų19.60%09%0.086CC..EExtended strand (participates in β ladder)trans-106.3125.2170.5-51.4-59.7000108.6D14 Y15 F51 L53 V57 F84 R95 Y96D14-I128 PolarHBondContact N-O 2.87Å; Y15-I128 PolarHBondContact N-O 2.94Å; Y15-I128 PolarHBondContact O-N 3.39Å; F51-I128 HydrophobicContact CE1-CG2 3.99Å; F51-I128 HydrophobicContact CZ-CG2 4.43Å; L53-I128 HydrophobicContact CD1-CG1 4.35Å; V57-I128 HydrophobicContact CG2-CD1 3.88Å; V57-I128 HydrophobicContact CG2-CG1 4.44Å; F84-I128 HydrophobicContact CE2-CD1 3.97Å; F84-I128 HydrophobicContact CZ-CD1 3.74Å; R95-I128 HydrophobicContact CB-CG2 3.98Å; Y96-I128 CarbonylContact O-C 3.59Å; Y96-I128 WeakPolarHBondContact O-CA 3.04Å
129S95.3Very high92.2Very high1 Ų114.7 Ų14.71%0.0077%0.069CC..EExtended strand (participates in β ladder)trans-146.9149.9179.6-179.70000112.3L12 D14 R95 Y96 H131 F137L12-S129 PolarHBondContact O-OG 3.02Å; D14-S129 WeakPolarHBondContact OD2-CA 3.24Å; R95-S129 CarbonylContact C-O 3.49Å; Y96-S129 PolarHBondContact N-O 2.62Å; Y96-S129 PolarHBondContact O-N 3.21Å; S129-H131 PolarHBondContact OG-N 3.33Å; S129-F137 VanDerWaalsContact CB-CE2 3.47Å
130H91.6Very high92.8Very high32 Ų3214.6 Ų14.615%0.1487%0.069CC..SBendtrans-65.2-27.5164.3-73.176.4000113.5C9 D14 R95C9-H130 HydrophobicContact CB-CB 4.06Å; C9-H130 VanDerWaalsContact CB-CD2 3.48Å; C9-H130 WeakPolarHBondContact CB-CD2 3.33Å; C9-H130 VanDerWaalsContact CB-CE1 3.42Å; C9-H130 WeakPolarHBondContact CB-CE1 3.16Å; C9-H130 WeakPolarHBondContact CB-NE2 3.4Å; C9-H130 PolarHBondContact SG-CE1 2.94Å; C9-H130 PolarHBondContact SG-ND1 2.93Å; D14-H130 IonicContact OD1-CE1 3.11Å; D14-H130 PolarHBondContact OD1-CE1 2.82Å; D14-H130 IonicContact OD1-ND1 2.72Å; D14-H130 PolarHBondContact OD1-ND1 2.88Å; D14-H130 IonicContact OD2-CE1 3.75Å; D14-H130 IonicContact OD2-CG 2.8Å; D14-H130 PolarHBondContact OD2-N 3.22Å; D14-H130 VanDerWaalsContact OD2-N 3.17Å; D14-H130 IonicContact OD2-ND1 2.63Å; D14-H130 PolarHBondContact OD2-ND1 2.88Å; R95-H130 WeakPolarHBondContact CD-ND1 3.39Å; R95-H130 VanDerWaalsContact CZ-CD2 3.42Å; R95-H130 PolarHBondContact NE-CE1 2.83Å; R95-H130 PolarHBondContact NE-ND1 2.73Å; R95-H130 PolarHBondContact NH1-CD2 2.72Å; R95-H130 PolarHBondContact NH1-CE1 3.19Å; R95-H130 VanDerWaalsContact NH1-CE1 3.3Å; R95-H130 PolarHBondContact NH1-NE2 3.34Å; R95-H130 PolarHBondContact NH2-CE1 3.19Å; R95-H130 PolarHBondContact NH2-NE2 2.78Å
131H90.8Very high93.2Very high12 Ų1212.9 Ų12.96%0.0566%0.062CC..SBendtrans-95.4136.4-166.2-57.5-68.6000110.7C9 R11 S129 F133 F137 V196C9-H131 PolarHBondContact O-NE2 2.96Å; R11-H131 PolarHBondContact O-CD2 2.86Å; R11-H131 VanDerWaalsContact O-CD2 3.3Å; R11-H131 PolarHBondContact O-NE2 3.43Å; R11-H131 VanDerWaalsContact O-NE2 3.08Å; S129-H131 PolarHBondContact OG-N 3.33Å; H131-F133 HydrophobicContact CB-CD2 3.53Å; H131-F133 HydrophobicContact CB-CE2 3.61Å; H131-F133 PolarHBondContact O-N 2.85Å; H131-F137 WeakPolarHBondContact O-CE2 3.35Å; H131-V196 WeakPolarHBondContact CE1-CG2 2.92Å; H131-V196 VanDerWaalsContact NE2-CG2 3.32Å; H131-V196 WeakPolarHBondContact NE2-CG2 3.17Å
132P89.1Confident93.4Very high24 Ų2416.9 Ų16.916%0.1568%0.078CC..  trans-8550.7-173.335.1-36.9000112.9Y96 F134 L229 D231Y96-P132 HydrophobicContact CD2-CB 4.31Å; Y96-P132 HydrophobicContact CE2-CB 4.04Å; P132-F134 VanDerWaalsContact C-N 3.32Å; P132-F134 HydrophobicContact CB-CE1 3.9Å; P132-F134 HydrophobicContact CB-CE2 4.44Å; P132-F134 HydrophobicContact CB-CZ 3.79Å; P132-F134 PolarHBondContact O-N 2.96Å; P132-L229 HydrophobicContact CG-CB 4.3Å; P132-L229 HydrophobicContact CG-CD2 4.4Å; P132-D231 WeakPolarHBondContact O-CB 3.42Å
133F91.2Very high93.4Very high1 Ų116.2 Ų16.20%0.0048%0.075CC..  trans-91.554178.5-61.8-64.1000112.6L12 H131 T135 K136 F137 F219 A220 L221 L229L12-F133 HydrophobicContact CD1-CD2 3.89Å; L12-F133 HydrophobicContact CD1-CE2 3.75Å; H131-F133 HydrophobicContact CB-CD2 3.53Å; H131-F133 HydrophobicContact CB-CE2 3.61Å; H131-F133 PolarHBondContact O-N 2.85Å; F133-T135 PolarHBondContact O-N 3.08Å; F133-K136 PolarHBondContact O-N 2.76Å; F133-F137 HydrophobicContact CB-CD1 4.49Å; F133-F137 HydrophobicContact CB-CD2 4.01Å; F133-F137 HydrophobicContact CB-CE1 4.24Å; F133-F137 HydrophobicContact CB-CE2 3.75Å; F133-F137 HydrophobicContact CB-CG 4.38Å; F133-F137 HydrophobicContact CB-CZ 3.87Å; F133-F137 HydrophobicContact CD2-CE2 4.35Å; F133-F137 AromaticContact CD2-CZ 3.94Å; F133-F137 HydrophobicContact CD2-CZ 3.94Å; F133-F137 HydrophobicContact CG-CZ 4.42Å; F133-F137 WeakPolarHBondContact O-CB 3.02Å; F133-F137 VanDerWaalsContact O-CD2 3.24Å; F133-F137 WeakPolarHBondContact O-CD2 2.82Å; F133-F137 VanDerWaalsContact O-CG 3.24Å; F133-F137 WeakPolarHBondContact O-CG 3.38Å; F133-F137 PolarHBondContact O-N 2.79Å; F133-F219 HydrophobicContact CB-CD1 4.02Å; F133-F219 HydrophobicContact CB-CE1 3.91Å; F133-F219 AromaticContact CD1-CD1 3.98Å; F133-F219 HydrophobicContact CD1-CD1 3.98Å; F133-F219 AromaticContact CD2-CD1 3.63Å; F133-F219 HydrophobicContact CD2-CD1 3.63Å; F133-F219 HydrophobicContact CD2-CE1 4.18Å; F133-F219 HydrophobicContact CE1-CD1 4.3Å; F133-F219 HydrophobicContact CE2-CB 4.42Å; F133-F219 AromaticContact CE2-CD1 3.97Å; F133-F219 HydrophobicContact CE2-CD1 3.97Å; F133-F219 AromaticContact CG-CD1 3.62Å; F133-F219 HydrophobicContact CG-CD1 3.62Å; F133-F219 HydrophobicContact CG-CE1 4.04Å; F133-F219 HydrophobicContact CZ-CB 4.23Å; F133-F219 HydrophobicContact CZ-CD1 4.28Å; F133-A220 VanDerWaalsContact CE1-O 3.24Å; F133-A220 WeakPolarHBondContact CE1-O 3.37Å; F133-A220 WeakPolarHBondContact CZ-O 3.46Å; F133-L221 HydrophobicContact CE1-CD2 4.21Å; F133-L221 HydrophobicContact CE2-CD2 4.17Å; F133-L221 HydrophobicContact CE2-CG 4.48Å; F133-L221 HydrophobicContact CZ-CD2 3.56Å; F133-L221 HydrophobicContact CZ-CG 3.84Å; F133-L229 HydrophobicContact CD1-CD2 3.57Å; F133-L229 HydrophobicContact CE1-CD2 3.39Å; F133-L229 HydrophobicContact CZ-CD2 4.32Å
134F92Very high93.4Very high2 Ų216.3 Ų16.31%0.0098%0.075CC..Hα-helixtrans-58.7-44.2-168-52-31000114I83 Y96 V98 P132 R138 D231 F232 L274I83-F134 HydrophobicContact CD1-CB 3.82Å; I83-F134 HydrophobicContact CD1-CD1 4.44Å; I83-F134 HydrophobicContact CD1-CD2 3.5Å; I83-F134 VanDerWaalsContact CD1-CD2 3.5Å; I83-F134 HydrophobicContact CD1-CE2 4.14Å; I83-F134 HydrophobicContact CD1-CG 3.67Å; I83-F134 HydrophobicContact CG1-CB 4.25Å; I83-F134 HydrophobicContact CG1-CD1 4.43Å; I83-F134 HydrophobicContact CG1-CD2 4.32Å; I83-F134 HydrophobicContact CG1-CG 4.09Å; I83-F134 HydrophobicContact CG2-CD1 4.33Å; I83-F134 HydrophobicContact CG2-CE1 4.13Å; I83-F134 HydrophobicContact CG2-CE2 4.43Å; I83-F134 HydrophobicContact CG2-CZ 4.18Å; Y96-F134 AromaticContact CD1-CE1 3.76Å; Y96-F134 HydrophobicContact CD1-CE1 3.76Å; Y96-F134 AromaticContact CD1-CZ 3.63Å; Y96-F134 HydrophobicContact CD1-CZ 3.63Å; Y96-F134 AromaticContact CD2-CE1 3.97Å; Y96-F134 HydrophobicContact CD2-CE1 3.97Å; Y96-F134 HydrophobicContact CD2-CZ 4.28Å; Y96-F134 HydrophobicContact CE1-CE1 4.43Å; Y96-F134 AromaticContact CE1-CZ 3.91Å; Y96-F134 HydrophobicContact CE1-CZ 3.91Å; Y96-F134 AromaticContact CG-CE1 3.49Å; Y96-F134 HydrophobicContact CG-CE1 3.49Å; Y96-F134 VanDerWaalsContact CG-CE1 3.49Å; Y96-F134 AromaticContact CG-CZ 3.83Å; Y96-F134 HydrophobicContact CG-CZ 3.83Å; V98-F134 HydrophobicContact CG2-CB 4.47Å; V98-F134 HydrophobicContact CG2-CD1 4.04Å; P132-F134 VanDerWaalsContact C-N 3.32Å; P132-F134 HydrophobicContact CB-CE1 3.9Å; P132-F134 HydrophobicContact CB-CE2 4.44Å; P132-F134 HydrophobicContact CB-CZ 3.79Å; P132-F134 PolarHBondContact O-N 2.96Å; F134-R138 VanDerWaalsContact O-CB 3.26Å; F134-R138 WeakPolarHBondContact O-CB 3.4Å; F134-R138 PolarHBondContact O-N 2.8Å; F134-D231 PolarHBondContact N-OD2 3.16Å; F134-F232 HydrophobicContact CD2-CB 4.34Å; F134-F232 AromaticContact CD2-CD1 3.77Å; F134-F232 HydrophobicContact CD2-CD1 3.77Å; F134-F232 AromaticContact CE2-CD1 3.54Å; F134-F232 HydrophobicContact CE2-CD1 3.54Å; F134-F232 HydrophobicContact CE2-CE1 4.01Å; F134-L274 HydrophobicContact CE2-CD1 3.92Å; F134-L274 HydrophobicContact CZ-CD1 4.3Å
135T88.6Confident93.2Very high33 Ų3318.1 Ų18.120%0.2028%0.082CC..Hα-helixtrans-64.5-47.9-177.7-520000110.3F133 R138 Q139 D231F133-T135 PolarHBondContact O-N 3.08Å; T135-R138 WeakPolarHBondContact O-CB 3.27Å; T135-R138 PolarHBondContact O-N 3.17Å; T135-Q139 VanDerWaalsContact O-CG 3.32Å; T135-Q139 WeakPolarHBondContact O-CG 3.45Å; T135-Q139 PolarHBondContact O-N 2.93Å; T135-D231 WeakPolarHBondContact CB-OD2 3.23Å; T135-D231 PolarHBondContact N-OD2 3.14Å; T135-D231 VanDerWaalsContact OG1-CG 3.26Å; T135-D231 PolarHBondContact OG1-OD1 3.43Å; T135-D231 PolarHBondContact OG1-OD2 3.47Å
136K90.9Very high92.8Very high51 Ų5120.7 Ų20.722%0.2229%0.092CC..Hα-helixtrans-68.7-41.2-178.9-69171.8-176.3151.10112.2F133 R138 Q139 L140 I218 F219F133-K136 PolarHBondContact O-N 2.76Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-R138 PolarHBondContact O-N 3.02Å; K136-Q139 PolarHBondContact O-N 3.05Å; K136-L140 WeakPolarHBondContact O-CG 3.5Å; K136-L140 PolarHBondContact O-N 2.87Å; K136-I218 WeakPolarHBondContact CE-O 3.45Å; K136-I218 PolarHBondContact NZ-O 3.34Å; K136-F219 HydrophobicContact CB-CE1 3.62Å; K136-F219 HydrophobicContact CB-CZ 3.8Å; K136-F219 HydrophobicContact CD-CD1 3.94Å; K136-F219 HydrophobicContact CD-CE1 3.85Å; K136-F219 HydrophobicContact CD-CG 4.4Å; K136-F219 HydrophobicContact CD-CZ 4.23Å; K136-F219 HydrophobicContact CG-CE1 4.35Å
137F95.1Very high92.4Very high2 Ų220.7 Ų20.71%0.0099%0.092CC..Hα-helixtrans-64.6-38.6174.8-66.8-29.9000112.1L12 I13 V98 I127 S129 H131 F133 L140 L141 F219L12-F137 HydrophobicContact CD1-CZ 4.38Å; L12-F137 HydrophobicContact CG-CE1 4.24Å; L12-F137 HydrophobicContact CG-CZ 4.35Å; L12-F137 WeakPolarHBondContact O-CZ 3.14Å; I13-F137 HydrophobicContact CD1-CD1 4.23Å; I13-F137 HydrophobicContact CD1-CE1 3.98Å; I13-F137 HydrophobicContact CG1-CD1 4.24Å; I13-F137 HydrophobicContact CG1-CE1 3.63Å; I13-F137 HydrophobicContact CG1-CZ 4.05Å; V98-F137 HydrophobicContact CB-CB 4.26Å; V98-F137 HydrophobicContact CG1-CB 4.42Å; V98-F137 HydrophobicContact CG2-CB 4.02Å; V98-F137 HydrophobicContact CG2-CD2 4.28Å; I127-F137 HydrophobicContact CB-CB 4.5Å; I127-F137 HydrophobicContact CD1-CB 4.1Å; I127-F137 HydrophobicContact CD1-CD1 4.38Å; I127-F137 HydrophobicContact CD1-CG 4.49Å; I127-F137 HydrophobicContact CG2-CB 4.16Å; I127-F137 HydrophobicContact CG2-CD1 4.2Å; I127-F137 HydrophobicContact CG2-CD2 4.05Å; I127-F137 HydrophobicContact CG2-CE2 4.48Å; I127-F137 HydrophobicContact CG2-CG 3.9Å; S129-F137 VanDerWaalsContact CB-CE2 3.47Å; H131-F137 WeakPolarHBondContact O-CE2 3.35Å; F133-F137 HydrophobicContact CB-CD1 4.49Å; F133-F137 HydrophobicContact CB-CD2 4.01Å; F133-F137 HydrophobicContact CB-CE1 4.24Å; F133-F137 HydrophobicContact CB-CE2 3.75Å; F133-F137 HydrophobicContact CB-CG 4.38Å; F133-F137 HydrophobicContact CB-CZ 3.87Å; F133-F137 HydrophobicContact CD2-CE2 4.35Å; F133-F137 AromaticContact CD2-CZ 3.94Å; F133-F137 HydrophobicContact CD2-CZ 3.94Å; F133-F137 HydrophobicContact CG-CZ 4.42Å; F133-F137 WeakPolarHBondContact O-CB 3.02Å; F133-F137 VanDerWaalsContact O-CD2 3.24Å; F133-F137 WeakPolarHBondContact O-CD2 2.82Å; F133-F137 VanDerWaalsContact O-CG 3.24Å; F133-F137 WeakPolarHBondContact O-CG 3.38Å; F133-F137 PolarHBondContact O-N 2.79Å; F137-L140 HydrophobicContact CD1-CD1 4.17Å; F137-L140 PolarHBondContact O-N 3.03Å; F137-L141 WeakPolarHBondContact O-CG 3.25Å; F137-L141 PolarHBondContact O-N 3.33Å; F137-F219 HydrophobicContact CD1-CE1 4.21Å; F137-F219 AromaticContact CE1-CE1 3.83Å; F137-F219 HydrophobicContact CE1-CE1 3.83Å; F137-F219 HydrophobicContact CE1-CZ 4.37Å
138R94.6Very high92Very high52 Ų5220.7 Ų20.720%0.1969%0.092CC..Hα-helixtrans-60.8-46.7172.9-177.7-174.7-59.1142.12.1111.4S81 V98 F134 T135 K136 L140 L141 Y142 N267S81-R138 WeakPolarHBondContact OG-CD 3.37Å; S81-R138 WeakPolarHBondContact OG-CG 3.26Å; S81-R138 PolarHBondContact OG-NE 3.43Å; V98-R138 HydrophobicContact CG1-CB 4.01Å; F134-R138 VanDerWaalsContact O-CB 3.26Å; F134-R138 WeakPolarHBondContact O-CB 3.4Å; F134-R138 PolarHBondContact O-N 2.8Å; T135-R138 WeakPolarHBondContact O-CB 3.27Å; T135-R138 PolarHBondContact O-N 3.17Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-R138 PolarHBondContact O-N 3.02Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 2.96Å; R138-L141 WeakPolarHBondContact O-CB 3.43Å; R138-L141 PolarHBondContact O-N 3.12Å; R138-Y142 HydrophobicContact CG-CD2 4.08Å; R138-Y142 HydrophobicContact CG-CE2 3.71Å; R138-Y142 VanDerWaalsContact O-CD2 3.26Å; R138-Y142 WeakPolarHBondContact O-CD2 3.31Å; R138-Y142 PolarHBondContact O-N 2.91Å; R138-Y142 VanDerWaalsContact O-N 3.11Å; R138-N267 PolarHBondContact NH2-OD1 3.26Å
139Q91.4Very high91.6Very high34 Ų3422.6 Ų22.616%0.15910%0.102CC..Hα-helixtrans-60.1-42.8176.3-70.7170.5-10.100111.9T135 K136 L141 Y142 V143 F217 L492T135-Q139 VanDerWaalsContact O-CG 3.32Å; T135-Q139 WeakPolarHBondContact O-CG 3.45Å; T135-Q139 PolarHBondContact O-N 2.93Å; K136-Q139 PolarHBondContact O-N 3.05Å; Q139-L141 VanDerWaalsContact C-N 3.31Å; Q139-L141 PolarHBondContact O-N 3.37Å; Q139-Y142 WeakPolarHBondContact O-CB 3.23Å; Q139-Y142 PolarHBondContact O-N 3.01Å; Q139-Y142 VanDerWaalsContact O-N 3.16Å; Q139-V143 WeakPolarHBondContact O-CG2 3.26Å; Q139-V143 PolarHBondContact O-N 3.45Å; Q139-F217 HydrophobicContact CB-CE1 4.42Å; Q139-F217 HydrophobicContact CB-CE2 3.76Å; Q139-F217 HydrophobicContact CB-CZ 3.5Å; Q139-F217 VanDerWaalsContact CB-CZ 3.5Å; Q139-F217 HydrophobicContact CG-CZ 4.37Å; Q139-L492 HydrophobicContact CG-CD2 3.75Å
140L93.3Very high91.2Very high1 Ų122.7 Ų22.71%0.00510%0.102CC..Hα-helixtrans-58.9-39.3174.5-76.8172.1000112.8I13 I127 K136 F137 R138 V143 L144 L191 L206 F208 F217 F219I13-L140 HydrophobicContact CD1-CD1 4.49Å; I127-L140 HydrophobicContact CD1-CB 4.26Å; K136-L140 WeakPolarHBondContact O-CG 3.5Å; K136-L140 PolarHBondContact O-N 2.87Å; F137-L140 HydrophobicContact CD1-CD1 4.17Å; F137-L140 PolarHBondContact O-N 3.03Å; R138-L140 VanDerWaalsContact C-N 3.35Å; R138-L140 PolarHBondContact O-N 2.96Å; L140-V143 PolarHBondContact O-N 2.96Å; L140-L144 WeakPolarHBondContact O-CB 3.18Å; L140-L144 PolarHBondContact O-N 2.89Å; L140-L191 HydrophobicContact CD1-CD1 4.07Å; L140-L191 HydrophobicContact CD1-CD2 4.49Å; L140-L191 HydrophobicContact CD2-CD1 4.36Å; L140-L206 HydrophobicContact CD1-CD2 4.22Å; L140-L206 HydrophobicContact CD2-CD2 4.18Å; L140-F208 HydrophobicContact CD2-CD1 3.93Å; L140-F208 HydrophobicContact CD2-CE1 4.24Å; L140-F208 HydrophobicContact CD2-CG 4.13Å; L140-F217 HydrophobicContact CD1-CD2 4.48Å; L140-F217 HydrophobicContact CD2-CD2 3.74Å; L140-F217 HydrophobicContact CD2-CE2 3.73Å; L140-F217 HydrophobicContact CG-CD2 3.77Å; L140-F217 HydrophobicContact CG-CE2 3.72Å; L140-F219 HydrophobicContact CD1-CZ 4.11Å
141L95.1Very high91.1Very high0 Ų021.1 Ų21.10%010%0.095CC..Hα-helixtrans-66.3-37.9176.1-71.2174.1000112.5V98 L100 L125 I127 F137 R138 Q139 L144 R145V98-L141 HydrophobicContact CG1-CD1 4.23Å; V98-L141 VanDerWaalsContact O-CD1 3.27Å; V98-L141 WeakPolarHBondContact O-CD1 3.46Å; L100-L141 HydrophobicContact CB-CB 4.08Å; L100-L141 HydrophobicContact CB-CD1 4.04Å; L100-L141 HydrophobicContact CD2-CB 3.93Å; L125-L141 HydrophobicContact CB-CD2 3.82Å; I127-L141 HydrophobicContact CD1-CD2 3.94Å; I127-L141 HydrophobicContact CD1-CG 3.86Å; I127-L141 HydrophobicContact CG1-CD1 4.44Å; I127-L141 HydrophobicContact CG1-CD2 3.81Å; I127-L141 HydrophobicContact CG1-CG 4.1Å; F137-L141 WeakPolarHBondContact O-CG 3.25Å; F137-L141 PolarHBondContact O-N 3.33Å; R138-L141 WeakPolarHBondContact O-CB 3.43Å; R138-L141 PolarHBondContact O-N 3.12Å; Q139-L141 VanDerWaalsContact C-N 3.31Å; Q139-L141 PolarHBondContact O-N 3.37Å; L141-L144 PolarHBondContact O-N 3.37Å; L141-R145 WeakPolarHBondContact O-CB 3.36Å; L141-R145 PolarHBondContact O-N 3.16Å
142Y92Very high90.8Very high86 Ų8621.1 Ų21.134%0.33710%0.096SC..Hα-helixtrans-62.7-45.1172.9-80.4-66.3000111.7T79 L100 R138 Q139 R145 R146T79-Y142 HydrophobicContact CG2-CE1 3.76Å; L100-Y142 HydrophobicContact CD1-CD1 4.21Å; L100-Y142 HydrophobicContact CD1-CD2 4.47Å; L100-Y142 HydrophobicContact CD1-CE1 3.67Å; L100-Y142 HydrophobicContact CD1-CE2 3.98Å; L100-Y142 HydrophobicContact CD2-CD1 4.01Å; L100-Y142 HydrophobicContact CD2-CE1 4.24Å; L100-Y142 HydrophobicContact CD2-CG 4.33Å; R138-Y142 HydrophobicContact CG-CD2 4.08Å; R138-Y142 HydrophobicContact CG-CE2 3.71Å; R138-Y142 VanDerWaalsContact O-CD2 3.26Å; R138-Y142 WeakPolarHBondContact O-CD2 3.31Å; R138-Y142 PolarHBondContact O-N 2.91Å; R138-Y142 VanDerWaalsContact O-N 3.11Å; Q139-Y142 WeakPolarHBondContact O-CB 3.23Å; Q139-Y142 PolarHBondContact O-N 3.01Å; Q139-Y142 VanDerWaalsContact O-N 3.16Å; Y142-R145 PolarHBondContact O-N 3.2Å; Y142-R146 WeakPolarHBondContact O-CB 3.48Å; Y142-R146 PolarHBondContact O-N 2.93Å
143V90.5Very high90.6Very high8 Ų825 Ų255%0.04811%0.112CC..Hα-helixtrans-60.4-47.8176.2172.10000110.6Q139 L140 R145 R146 L147 W187 F208 L209 W473Q139-V143 WeakPolarHBondContact O-CG2 3.26Å; Q139-V143 PolarHBondContact O-N 3.45Å; L140-V143 PolarHBondContact O-N 2.96Å; V143-R145 PolarHBondContact O-N 3.47Å; V143-R146 CarbonylContact O-C 3.16Å; V143-R146 PolarHBondContact O-N 3.13Å; V143-R146 VanDerWaalsContact O-N 3.13Å; V143-L147 HydrophobicContact CG1-CD1 3.93Å; V143-L147 HydrophobicContact CG1-CG 4.3Å; V143-L147 WeakPolarHBondContact O-CB 3.36Å; V143-L147 WeakPolarHBondContact O-CG 3.47Å; V143-L147 PolarHBondContact O-N 2.86Å; V143-W187 HydrophobicContact CG1-CZ2 4.33Å; V143-F208 HydrophobicContact CB-CE2 4.1Å; V143-F208 HydrophobicContact CG1-CD2 3.72Å; V143-F208 HydrophobicContact CG1-CE2 3.62Å; V143-F208 HydrophobicContact CG2-CD2 4.47Å; V143-F208 HydrophobicContact CG2-CE2 3.6Å; V143-F208 HydrophobicContact CG2-CZ 4.09Å; V143-L209 HydrophobicContact CG1-CD1 4.17Å; V143-W473 HydrophobicContact CG1-CZ3 4.29Å
144L92.8Very high90.2Very high2 Ų229.2 Ų29.21%0.0113%0.127CC..Hα-helixtrans-57.8-48.9177.8174.759.3000111.3L16 L125 L140 L141 R146 L147 I148 W187 I188L16-L144 HydrophobicContact CD1-CD2 3.58Å; L16-L144 HydrophobicContact CD2-CD2 4.09Å; L16-L144 HydrophobicContact CG-CD2 4.43Å; L125-L144 HydrophobicContact CD1-CD2 4.42Å; L125-L144 HydrophobicContact CD1-CG 4.46Å; L140-L144 WeakPolarHBondContact O-CB 3.18Å; L140-L144 PolarHBondContact O-N 2.89Å; L141-L144 PolarHBondContact O-N 3.37Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.3Å; L144-L147 PolarHBondContact O-N 3.08Å; L144-I148 HydrophobicContact CD1-CD1 4.04Å; L144-I148 HydrophobicContact CD1-CG1 4.23Å; L144-I148 HydrophobicContact CG-CD1 4.02Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.41Å; L144-I148 PolarHBondContact O-N 3.4Å; L144-W187 HydrophobicContact CB-CH2 4.24Å; L144-W187 HydrophobicContact CB-CZ3 4.01Å; L144-W187 HydrophobicContact CD1-CE3 4.02Å; L144-W187 HydrophobicContact CD1-CZ3 3.83Å; L144-W187 HydrophobicContact CG-CZ3 4.33Å; L144-I188 HydrophobicContact CD1-CD1 4.22Å; L144-I188 HydrophobicContact CD1-CG1 4.12Å; L144-I188 HydrophobicContact CD2-CD1 4.42Å; L144-I188 HydrophobicContact CD2-CG1 4.42Å
145R92.5Very high89.7Confident39 Ų3931.1 Ų31.115%0.14714%0.137CC..Hα-helixtrans-57.4-43176.8-175.2-176.3174.9-161.4-3.3111.4T79 F102 L125 L141 Y142 V143 I148 N149 W162T79-R145 PolarHBondContact OG1-NH1 3.19Å; F102-R145 VanDerWaalsContact CB-CZ 3.42Å; F102-R145 VanDerWaalsContact CD2-CZ 3.5Å; F102-R145 VanDerWaalsContact CD2-NE 3.32Å; F102-R145 HydrophobicContact CE1-CG 4.14Å; F102-R145 HydrophobicContact CE2-CG 4.32Å; F102-R145 HydrophobicContact CZ-CG 3.96Å; L125-R145 HydrophobicContact CD1-CB 3.95Å; L141-R145 WeakPolarHBondContact O-CB 3.36Å; L141-R145 PolarHBondContact O-N 3.16Å; Y142-R145 PolarHBondContact O-N 3.2Å; V143-R145 PolarHBondContact O-N 3.47Å; R145-I148 PolarHBondContact O-N 2.89Å; R145-N149 PolarHBondContact O-N 3.2Å; R145-N149 VanDerWaalsContact O-N 3.08Å; R145-W162 HydrophobicContact CG-CH2 4.15Å; R145-W162 HydrophobicContact CG-CZ2 3.94Å
146R88.3Confident89Confident53 Ų5340.8 Ų40.820%0.217%0.17CC..Hα-helixtrans-68.5-39.5-179.9-173.158.8163-138.6-9.2111.9Y142 V143 L144 I148 N149 C150 W473 H476 D489Y142-R146 WeakPolarHBondContact O-CB 3.48Å; Y142-R146 PolarHBondContact O-N 2.93Å; V143-R146 CarbonylContact O-C 3.16Å; V143-R146 PolarHBondContact O-N 3.13Å; V143-R146 VanDerWaalsContact O-N 3.13Å; L144-R146 VanDerWaalsContact C-N 3.26Å; L144-R146 PolarHBondContact O-N 3.3Å; R146-I148 VanDerWaalsContact C-N 3.34Å; R146-I148 PolarHBondContact O-N 3.32Å; R146-N149 WeakPolarHBondContact O-CB 3.46Å; R146-N149 PolarHBondContact O-N 3.41Å; R146-C150 PolarHBondContact O-N 3.48Å; R146-C150 PolarHBondContact O-SG 3.2Å; R146-W473 HydrophobicContact CB-CH2 3.91Å; R146-W473 HydrophobicContact CB-CZ3 3.56Å; R146-W473 HydrophobicContact CG-CE3 4.11Å; R146-W473 HydrophobicContact CG-CH2 3.56Å; R146-W473 HydrophobicContact CG-CZ2 4.46Å; R146-W473 HydrophobicContact CG-CZ3 3.36Å; R146-H476 PolarHBondContact NH2-CE1 3.35Å; R146-H476 PolarHBondContact NH2-NE2 3.21Å; R146-D489 IonicContact NH1-OD2 2.74Å; R146-D489 PolarHBondContact NH1-OD2 3.36Å; R146-D489 VanDerWaalsContact NH1-OD2 3.07Å
147L89.3Confident87.9Confident0 Ų040.2 Ų40.20%017%0.172CC..Hα-helixtrans-59-44172.7-81.1170.9000111.7V143 L144 N149 C150 S151 L184 W187 L209 L469 W473V143-L147 HydrophobicContact CG1-CD1 3.93Å; V143-L147 HydrophobicContact CG1-CG 4.3Å; V143-L147 WeakPolarHBondContact O-CB 3.36Å; V143-L147 WeakPolarHBondContact O-CG 3.47Å; V143-L147 PolarHBondContact O-N 2.86Å; L144-L147 PolarHBondContact O-N 3.08Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 2.89Å; L147-C150 PolarHBondContact O-N 3.29Å; L147-S151 WeakPolarHBondContact O-CB 3.38Å; L147-S151 PolarHBondContact O-N 2.99Å; L147-S151 PolarHBondContact O-OG 3.1Å; L147-L184 HydrophobicContact CB-CD2 4.16Å; L147-W187 HydrophobicContact CD1-CD2 4.26Å; L147-W187 HydrophobicContact CD1-CZ2 4.02Å; L147-L209 HydrophobicContact CD2-CD2 4.21Å; L147-L469 HydrophobicContact CD2-CB 4.22Å; L147-W473 HydrophobicContact CD2-CE3 3.79Å; L147-W473 HydrophobicContact CD2-CZ3 4.47Å; L147-W473 HydrophobicContact CG-CE3 3.98Å; L147-W473 HydrophobicContact CG-CZ3 4.16Å
148I91Very high86.5Confident2 Ų243.2 Ų43.21%0.0119%0.194CC..Hα-helixtrans-61-44.5176.5-62.3162.8000110.5L144 R145 R146 S151 N152 V161 W162 L165 L184L144-I148 HydrophobicContact CD1-CD1 4.04Å; L144-I148 HydrophobicContact CD1-CG1 4.23Å; L144-I148 HydrophobicContact CG-CD1 4.02Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.41Å; L144-I148 PolarHBondContact O-N 3.4Å; R145-I148 PolarHBondContact O-N 2.89Å; R146-I148 VanDerWaalsContact C-N 3.34Å; R146-I148 PolarHBondContact O-N 3.32Å; I148-S151 PolarHBondContact O-N 3.45Å; I148-N152 WeakPolarHBondContact O-CB 3.5Å; I148-N152 PolarHBondContact O-N 3.26Å; I148-V161 HydrophobicContact CG2-CG1 4.07Å; I148-W162 HydrophobicContact CB-CH2 4.1Å; I148-W162 HydrophobicContact CB-CZ2 3.73Å; I148-W162 HydrophobicContact CD1-CH2 3.55Å; I148-W162 HydrophobicContact CD1-CZ2 4.11Å; I148-W162 HydrophobicContact CD1-CZ3 3.91Å; I148-W162 HydrophobicContact CG1-CH2 4.43Å; I148-W162 HydrophobicContact CG2-CD2 3.6Å; I148-W162 HydrophobicContact CG2-CE3 4.01Å; I148-W162 HydrophobicContact CG2-CG 4.1Å; I148-W162 HydrophobicContact CG2-CH2 3.92Å; I148-W162 HydrophobicContact CG2-CZ2 3.51Å; I148-W162 HydrophobicContact CG2-CZ3 4.16Å; I148-L165 HydrophobicContact CD1-CD1 3.78Å; I148-L165 HydrophobicContact CG1-CD1 3.88Å; I148-L165 HydrophobicContact CG2-CD1 3.74Å; I148-L184 HydrophobicContact CG1-CD1 4.03Å; I148-L184 HydrophobicContact CG1-CD2 4.09Å
149N88.3Confident85.5Confident39 Ų3941.2 Ų41.221%0.20919%0.187CC..Hα-helixtrans-61-47.6176.2-70.7-19.5000112.3R145 R146 L147 S151 N152 E153 W162R145-N149 PolarHBondContact O-N 3.2Å; R145-N149 VanDerWaalsContact O-N 3.08Å; R146-N149 WeakPolarHBondContact O-CB 3.46Å; R146-N149 PolarHBondContact O-N 3.41Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 2.89Å; N149-S151 VanDerWaalsContact C-N 3.31Å; N149-S151 PolarHBondContact O-N 2.73Å; N149-N152 WeakPolarHBondContact O-CB 3.27Å; N149-N152 PolarHBondContact O-N 3.25Å; N149-N152 VanDerWaalsContact O-N 3.16Å; N149-E153 WeakPolarHBondContact O-CG 3.42Å; N149-E153 PolarHBondContact O-N 3.4Å; N149-W162 PolarHBondContact OD1-NE1 3.47Å
150C87.6Confident85Confident3 Ų339.6 Ų39.62%0.0218%0.18CC..Hα-helixtrans-61.1-41.6179.1-62.30000111.6R146 L147 N152 E153 R154 A472 H476R146-C150 PolarHBondContact O-N 3.48Å; R146-C150 PolarHBondContact O-SG 3.2Å; L147-C150 PolarHBondContact O-N 3.29Å; C150-N152 VanDerWaalsContact C-N 3.3Å; C150-N152 PolarHBondContact O-N 2.94Å; C150-E153 PolarHBondContact O-N 2.81Å; C150-R154 WeakPolarHBondContact O-CB 3.47Å; C150-R154 PolarHBondContact O-N 3.12Å; C150-A472 HydrophobicContact CB-CB 4.07Å; C150-H476 HydrophobicContact CB-CB 4.33Å; C150-H476 WeakPolarHBondContact SG-CB 3.4Å; C150-H476 PolarHBondContact SG-CD2 3.39Å; C150-H476 VanDerWaalsContact SG-CG 3.6Å
151S88Confident84.7Confident0 Ų039.6 Ų39.60%018%0.18CC..Hα-helixtrans-61.7-40.5176.9-52.30000111.1L147 I148 N149 R154 I155 E180 L469L147-S151 WeakPolarHBondContact O-CB 3.38Å; L147-S151 PolarHBondContact O-N 2.99Å; L147-S151 PolarHBondContact O-OG 3.1Å; I148-S151 PolarHBondContact O-N 3.45Å; N149-S151 VanDerWaalsContact C-N 3.31Å; N149-S151 PolarHBondContact O-N 2.73Å; S151-R154 PolarHBondContact O-N 2.83Å; S151-I155 PolarHBondContact O-N 2.9Å; S151-E180 WeakPolarHBondContact CB-OE2 3.36Å; S151-L469 WeakPolarHBondContact OG-CD2 3.29Å
152N85.9Confident84.4Confident12 Ų1239.6 Ų39.66%0.06418%0.18CC..Hα-helixtrans-67.2-43.3177.8-164.560.1000112.5I148 N149 C150 R154 I155 R156 S157 S158 D159 G160 V161I148-N152 WeakPolarHBondContact O-CB 3.5Å; I148-N152 PolarHBondContact O-N 3.26Å; N149-N152 WeakPolarHBondContact O-CB 3.27Å; N149-N152 PolarHBondContact O-N 3.25Å; N149-N152 VanDerWaalsContact O-N 3.16Å; C150-N152 VanDerWaalsContact C-N 3.3Å; C150-N152 PolarHBondContact O-N 2.94Å; N152-R154 VanDerWaalsContact C-N 3.34Å; N152-R154 PolarHBondContact O-N 2.82Å; N152-I155 PolarHBondContact O-N 2.93Å; N152-R156 PolarHBondContact O-N 3.1Å; N152-S157 PolarHBondContact ND2-O 2.93Å; N152-S157 VanDerWaalsContact ND2-O 3.16Å; N152-S158 PolarHBondContact ND2-O 3.24Å; N152-D159 WeakPolarHBondContact ND2-CA 3.42Å; N152-D159 VanDerWaalsContact OD1-C 3.28Å; N152-G160 PolarHBondContact OD1-N 3.04Å; N152-V161 HydrophobicContact CB-CB 4.09Å; N152-V161 HydrophobicContact CB-CG2 4.06Å; N152-V161 PolarHBondContact OD1-N 3.33Å
153E84Confident84.1Confident105 Ų10536.6 Ų36.649%0.49117%0.169SC..Hα-helixtrans-62.6-39.6175.9-72.6-177.3176.100112.4N149 C150 I155 R156 H476N149-E153 WeakPolarHBondContact O-CG 3.42Å; N149-E153 PolarHBondContact O-N 3.4Å; C150-E153 PolarHBondContact O-N 2.81Å; E153-I155 VanDerWaalsContact C-N 3.31Å; E153-I155 PolarHBondContact O-N 3.06Å; E153-R156 PolarHBondContact O-N 3.19Å; E153-H476 IonicContact OE1-NE2 3.18Å; E153-H476 IonicContact OE2-CD2 2.77Å; E153-H476 PolarHBondContact OE2-CD2 3.17Å; E153-H476 IonicContact OE2-CG 3.95Å; E153-H476 IonicContact OE2-NE2 3.39Å
154R82.6Confident83.8Confident89 Ų8936.4 Ų36.434%0.33617%0.168SC..Hα-helixtrans-59.3-40.7179.1-166179.792.6114.1-2.4112.5C150 S151 N152 R156 E180C150-R154 WeakPolarHBondContact O-CB 3.47Å; C150-R154 PolarHBondContact O-N 3.12Å; S151-R154 PolarHBondContact O-N 2.83Å; N152-R154 VanDerWaalsContact C-N 3.34Å; N152-R154 PolarHBondContact O-N 2.82Å; R154-R156 PolarHBondContact O-N 2.95Å; R154-E180 IonicContact CZ-OE1 3.97Å; R154-E180 IonicContact NE-OE1 2.63Å; R154-E180 PolarHBondContact NE-OE1 3.05Å; R154-E180 IonicContact NH2-OE1 3.11Å; R154-E180 PolarHBondContact NH2-OE1 3.38Å
155I81.9Confident83.5Confident43 Ų4336.4 Ų36.422%0.22117%0.168CC..THydrogen-bonded Turntrans-75.7-10178.2-58.2162.5000112S151 N152 E153 S157 V161 A176 V177 E180S151-I155 PolarHBondContact O-N 2.9Å; N152-I155 PolarHBondContact O-N 2.93Å; E153-I155 VanDerWaalsContact C-N 3.31Å; E153-I155 PolarHBondContact O-N 3.06Å; I155-S157 PolarHBondContact O-N 2.76Å; I155-V161 HydrophobicContact CD1-CG2 3.71Å; I155-A176 HydrophobicContact CG2-CB 4.37Å; I155-V177 HydrophobicContact CD1-CB 4.49Å; I155-V177 HydrophobicContact CD1-CG2 3.99Å; I155-V177 HydrophobicContact CG2-CG2 4.36Å; I155-E180 HydrophobicContact CD1-CB 4.12Å; I155-E180 HydrophobicContact CD1-CG 3.29Å; I155-E180 HydrophobicContact CG1-CG 3.88Å
156R75Confident83.3Confident235 Ų23534.7 Ų34.789%0.88716%0.162SC*.THydrogen-bonded Turntrans55.526-170.1-55.6179.9173.3179.7-2112.9N152 E153 R154N152-R156 PolarHBondContact O-N 3.1Å; E153-R156 PolarHBondContact O-N 3.19Å; R154-R156 PolarHBondContact O-N 2.95Å
157S67.6Low82.9Confident39 Ų3934.5 Ų34.527%0.27318%0.176SC..  trans-87.6135.7171.1-175.60000108.6N152 I155 D159 G160N152-S157 PolarHBondContact ND2-O 2.93Å; N152-S157 VanDerWaalsContact ND2-O 3.16Å; I155-S157 PolarHBondContact O-N 2.76Å; S157-D159 VanDerWaalsContact C-N 3.26Å; S157-D159 PolarHBondContact O-N 3.38Å; S157-G160 WeakPolarHBondContact OG-CA 3.47Å; S157-G160 PolarHBondContact OG-N 3.31Å; S157-G160 VanDerWaalsContact OG-N 3.11Å
158S65.3Low82.1Confident66 Ų6635.2 Ų35.246%0.46218%0.181SC..SBendtrans-63.2-33.7-17457.50000112.6R105 N152R105-S158 PolarHBondContact NH2-O 3.39Å; N152-S158 PolarHBondContact ND2-O 3.24Å
159D73.1Confident81Confident9 Ų938.7 Ų38.75%0.04819%0.194CC..SBendtrans-160.313.8-179.6-72-57.7000113.4Q104 R105 N152 S157 V161 W162 E163Q104-D159 PolarHBondContact NE2-OD1 3.11Å; R105-D159 IonicContact CZ-OD2 4Å; R105-D159 VanDerWaalsContact CZ-OD2 3.31Å; R105-D159 IonicContact NE-OD2 3.53Å; R105-D159 PolarHBondContact NE-OD2 3.36Å; R105-D159 IonicContact NH2-OD1 2.8Å; R105-D159 IonicContact NH2-OD2 2.87Å; R105-D159 PolarHBondContact NH2-OD2 3.39Å; N152-D159 WeakPolarHBondContact ND2-CA 3.42Å; N152-D159 VanDerWaalsContact OD1-C 3.28Å; S157-D159 VanDerWaalsContact C-N 3.26Å; S157-D159 PolarHBondContact O-N 3.38Å; D159-V161 PolarHBondContact O-N 3.25Å; D159-W162 PolarHBondContact O-N 3.3Å; D159-W162 VanDerWaalsContact O-N 3.16Å; D159-E163 HydrophobicContact CB-CG 4.28Å; D159-E163 WeakPolarHBondContact O-CG 3.25Å; D159-E163 PolarHBondContact O-N 3.23Å
160G80.4Confident79.6Confident1 Ų140.5 Ų40.51%0.0120%0.203CC..Hα-helixtrans-62.9-30.6-167.100000116.1N152 S157 A164N152-G160 PolarHBondContact OD1-N 3.04Å; S157-G160 WeakPolarHBondContact OG-CA 3.47Å; S157-G160 PolarHBondContact OG-N 3.31Å; S157-G160 VanDerWaalsContact OG-N 3.11Å; G160-A164 WeakPolarHBondContact O-CB 3.45Å; G160-A164 PolarHBondContact O-N 3.14Å
161V88Confident78.6Confident0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-71.3-43.4176.1-177.70000110.6I148 N152 I155 D159 A164 L165 E180 I181 L184I148-V161 HydrophobicContact CG2-CG1 4.07Å; N152-V161 HydrophobicContact CB-CB 4.09Å; N152-V161 HydrophobicContact CB-CG2 4.06Å; N152-V161 PolarHBondContact OD1-N 3.33Å; I155-V161 HydrophobicContact CD1-CG2 3.71Å; D159-V161 PolarHBondContact O-N 3.25Å; V161-A164 PolarHBondContact O-N 3Å; V161-L165 HydrophobicContact CG1-CD1 4.29Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 2.88Å; V161-E180 HydrophobicContact CG2-CB 4.41Å; V161-I181 HydrophobicContact CG1-CG1 4.48Å; V161-L184 HydrophobicContact CG1-CD1 3.78Å
162W88.4Confident77.8Confident1 Ų153.8 Ų53.80%0.00427%0.27CS..Hα-helixtrans-63.2-47175.5-83115.9000111.8F102 Q104 R145 I148 N149 D159 A164 L165 L166F102-W162 AromaticContact CE2-CH2 3.89Å; F102-W162 HydrophobicContact CE2-CH2 3.89Å; F102-W162 HydrophobicContact CE2-CZ2 4.19Å; F102-W162 HydrophobicContact CE2-CZ3 4.32Å; F102-W162 AromaticContact CZ-CH2 3.58Å; F102-W162 HydrophobicContact CZ-CH2 3.58Å; F102-W162 HydrophobicContact CZ-CZ2 4.25Å; F102-W162 HydrophobicContact CZ-CZ3 4.07Å; Q104-W162 HydrophobicContact CG-CB 4.25Å; Q104-W162 HydrophobicContact CG-CD2 4.11Å; Q104-W162 HydrophobicContact CG-CE3 4.41Å; Q104-W162 HydrophobicContact CG-CG 4.05Å; R145-W162 HydrophobicContact CG-CH2 4.15Å; R145-W162 HydrophobicContact CG-CZ2 3.94Å; I148-W162 HydrophobicContact CB-CH2 4.1Å; I148-W162 HydrophobicContact CB-CZ2 3.73Å; I148-W162 HydrophobicContact CD1-CH2 3.55Å; I148-W162 HydrophobicContact CD1-CZ2 4.11Å; I148-W162 HydrophobicContact CD1-CZ3 3.91Å; I148-W162 HydrophobicContact CG1-CH2 4.43Å; I148-W162 HydrophobicContact CG2-CD2 3.6Å; I148-W162 HydrophobicContact CG2-CE3 4.01Å; I148-W162 HydrophobicContact CG2-CG 4.1Å; I148-W162 HydrophobicContact CG2-CH2 3.92Å; I148-W162 HydrophobicContact CG2-CZ2 3.51Å; I148-W162 HydrophobicContact CG2-CZ3 4.16Å; N149-W162 PolarHBondContact OD1-NE1 3.47Å; D159-W162 PolarHBondContact O-N 3.3Å; D159-W162 VanDerWaalsContact O-N 3.16Å; W162-A164 VanDerWaalsContact C-N 3.25Å; W162-A164 PolarHBondContact O-N 3.36Å; W162-L165 PolarHBondContact O-N 2.83Å; W162-L166 HydrophobicContact CE3-CD1 4.4Å; W162-L166 HydrophobicContact CE3-CG 4.48Å; W162-L166 WeakPolarHBondContact O-CB 3.43Å; W162-L166 WeakPolarHBondContact O-CG 3.46Å; W162-L166 PolarHBondContact O-N 2.83Å
163E84.9Confident77.3Confident22 Ų2256.6 Ų56.610%0.10328%0.284CS..Hα-helixtrans-59.8-38.9-180-68.3172.3175.700111.9S107 D159 G167 V168 W169S107-E163 WeakPolarHBondContact CB-OE1 3.42Å; S107-E163 PolarHBondContact N-OE1 2.9Å; D159-E163 HydrophobicContact CB-CG 4.28Å; D159-E163 WeakPolarHBondContact O-CG 3.25Å; D159-E163 PolarHBondContact O-N 3.23Å; E163-G167 PolarHBondContact O-N 2.96Å; E163-G167 VanDerWaalsContact O-N 3.11Å; E163-V168 PolarHBondContact O-N 2.8Å; E163-W169 VanDerWaalsContact CB-CD1 3.47Å; E163-W169 HydrophobicContact CB-CG 4.41Å; E163-W169 PolarHBondContact OE2-NE1 2.78Å
164A85.3Confident77.3Confident4 Ų454.1 Ų54.13%0.03328%0.278CS..Hα-helixtrans-70.3-43.7176.400000112.6R41 G160 V161 W162 L166 G167 V177 I181R41-A164 PolarHBondContact NH2-O 2.81Å; G160-A164 WeakPolarHBondContact O-CB 3.45Å; G160-A164 PolarHBondContact O-N 3.14Å; V161-A164 PolarHBondContact O-N 3Å; W162-A164 VanDerWaalsContact C-N 3.25Å; W162-A164 PolarHBondContact O-N 3.36Å; A164-L166 VanDerWaalsContact C-N 3.29Å; A164-L166 PolarHBondContact O-N 2.8Å; A164-G167 PolarHBondContact O-N 2.84Å; A164-V177 HydrophobicContact CB-CG1 4.2Å; A164-I181 HydrophobicContact CB-CD1 3.33Å; A164-I181 HydrophobicContact CB-CG1 4.46Å
165L86.8Confident77.4Confident3 Ų352.8 Ų52.82%0.01629%0.293CS..Hα-helixtrans-61.6-37.1174.9-76.4176.2000112.3R41 I148 V161 W162 G167 I181 L184R41-L165 WeakPolarHBondContact CD-O 3.42Å; R41-L165 WeakPolarHBondContact CG-O 3.26Å; R41-L165 PolarHBondContact NE-O 2.95Å; I148-L165 HydrophobicContact CD1-CD1 3.78Å; I148-L165 HydrophobicContact CG1-CD1 3.88Å; I148-L165 HydrophobicContact CG2-CD1 3.74Å; V161-L165 HydrophobicContact CG1-CD1 4.29Å; V161-L165 WeakPolarHBondContact O-CG 3.39Å; V161-L165 PolarHBondContact O-N 2.88Å; W162-L165 PolarHBondContact O-N 2.83Å; L165-G167 VanDerWaalsContact C-N 3.29Å; L165-I181 HydrophobicContact CD2-CG2 4.36Å; L165-L184 HydrophobicContact CD1-CD1 4.31Å
166L86.9Confident77.5Confident3 Ų353.4 Ų53.42%0.01630%0.304CS..THydrogen-bonded Turntrans-82.4-7179.6-62.5170000113.1I18 L22 L40 Q104 L106 V123 W162 A164 V168I18-L166 HydrophobicContact CG2-CD2 3.78Å; L22-L166 WeakPolarHBondContact CD2-O 3.43Å; L40-L166 HydrophobicContact CD1-CB 4.06Å; L40-L166 HydrophobicContact CD1-CD2 3.42Å; L40-L166 VanDerWaalsContact CD1-CD2 3.42Å; L40-L166 HydrophobicContact CD1-CG 4.33Å; Q104-L166 HydrophobicContact CG-CD1 4.14Å; L106-L166 HydrophobicContact CD2-CD1 3.43Å; L106-L166 VanDerWaalsContact CD2-CD1 3.43Å; V123-L166 HydrophobicContact CG1-CD2 3.85Å; V123-L166 HydrophobicContact CG2-CD1 3.98Å; V123-L166 HydrophobicContact CG2-CD2 3.86Å; W162-L166 HydrophobicContact CE3-CD1 4.4Å; W162-L166 HydrophobicContact CE3-CG 4.48Å; W162-L166 WeakPolarHBondContact O-CB 3.43Å; W162-L166 WeakPolarHBondContact O-CG 3.46Å; W162-L166 PolarHBondContact O-N 2.83Å; A164-L166 VanDerWaalsContact C-N 3.29Å; A164-L166 PolarHBondContact O-N 2.8Å; L166-V168 VanDerWaalsContact C-N 3.33Å; L166-V168 HydrophobicContact CB-CG2 3.96Å; L166-V168 PolarHBondContact O-N 2.9Å
167G79.9Confident78.1Confident49 Ų4942.4 Ų42.451%0.50526%0.263SS..THydrogen-bonded Turntrans74.916.8179.200000114.7E163 A164 L165 W169E163-G167 PolarHBondContact O-N 2.96Å; E163-G167 VanDerWaalsContact O-N 3.11Å; A164-G167 PolarHBondContact O-N 2.84Å; L165-G167 VanDerWaalsContact C-N 3.29Å; G167-W169 VanDerWaalsContact C-N 3.26Å; G167-W169 PolarHBondContact O-N 2.8Å
168V72.4Confident79.1Confident15 Ų1544 Ų449%0.09127%0.267CS..  trans-93.131.2-174.5-165.40000111.6L22 L108 E163 L166L22-V168 HydrophobicContact CD2-CG2 4.15Å; L108-V168 HydrophobicContact CD2-CG1 3.79Å; E163-V168 PolarHBondContact O-N 2.8Å; L166-V168 VanDerWaalsContact C-N 3.33Å; L166-V168 HydrophobicContact CB-CG2 3.96Å; L166-V168 PolarHBondContact O-N 2.9Å
169W68.8Low80.2Confident74 Ų7446.4 Ų46.428%0.2827%0.269SS..  trans-109132.5-165.8-13146.2000113.6E163 G167 E171 N172 I173E163-W169 VanDerWaalsContact CB-CD1 3.47Å; E163-W169 HydrophobicContact CB-CG 4.41Å; E163-W169 PolarHBondContact OE2-NE1 2.78Å; G167-W169 VanDerWaalsContact C-N 3.26Å; G167-W169 PolarHBondContact O-N 2.8Å; W169-E171 WeakPolarHBondContact CZ3-O 2.95Å; W169-N172 WeakPolarHBondContact CH2-O 3.5Å; W169-N172 VanDerWaalsContact CZ3-O 3.27Å; W169-N172 WeakPolarHBondContact CZ3-O 3.36Å; W169-I173 HydrophobicContact CD2-CG1 4.25Å; W169-I173 HydrophobicContact CE3-CB 4.02Å; W169-I173 HydrophobicContact CE3-CD1 4.39Å; W169-I173 HydrophobicContact CE3-CG1 3.25Å; W169-I173 HydrophobicContact CE3-CG2 4.35Å; W169-I173 VanDerWaalsContact CH2-CA 3.41Å; W169-I173 HydrophobicContact CH2-CB 4.12Å; W169-I173 HydrophobicContact CH2-CG1 4.27Å; W169-I173 HydrophobicContact CH2-CG2 4.04Å; W169-I173 HydrophobicContact CZ3-CB 3.61Å; W169-I173 HydrophobicContact CZ3-CG1 3.38Å; W169-I173 HydrophobicContact CZ3-CG2 3.97Å
170L58.5Low80.9Confident78 Ų7846 Ų4641%0.40827%0.267SS..  trans-111.3-10.8-164.8-74.5145.3000114.4R109 K111R109-L170 HydrophobicContact CB-CD1 4.34Å; R109-L170 WeakPolarHBondContact O-CD1 3.12Å; K111-L170 HydrophobicContact CG-CD2 4.42Å
171E66.8Low81.4Confident122 Ų12246.1 Ų46.157%0.5727%0.268SS*.SBendtrans-122.7177.3-178.7-66.4178.1-15600110.8R109 W169R109-E171 IonicContact CZ-OE1 3.77Å; R109-E171 IonicContact NH1-OE1 3.68Å; R109-E171 PolarHBondContact NH1-OE1 2.87Å; R109-E171 IonicContact NH1-OE2 2.84Å; W169-E171 WeakPolarHBondContact CZ3-O 2.95Å
172N70.9Confident81.5Confident159 Ų15949 Ų4985%0.8529%0.287SS*.PPolyproline II helixtrans-73.8128.7-179.9-81.4-16.4000112.6W169 S174W169-N172 WeakPolarHBondContact CH2-O 3.5Å; W169-N172 VanDerWaalsContact CZ3-O 3.27Å; W169-N172 WeakPolarHBondContact CZ3-O 3.36Å; N172-S174 PolarHBondContact O-N 3.24Å
173I75.1Confident81.6Confident71 Ų7150.7 Ų50.736%0.36430%0.295SS..PPolyproline II helixtrans-63.8119.9-170.8-47.4164.1000110.6W169 G175 V177 M178W169-I173 HydrophobicContact CD2-CG1 4.25Å; W169-I173 HydrophobicContact CE3-CB 4.02Å; W169-I173 HydrophobicContact CE3-CD1 4.39Å; W169-I173 HydrophobicContact CE3-CG1 3.25Å; W169-I173 HydrophobicContact CE3-CG2 4.35Å; W169-I173 VanDerWaalsContact CH2-CA 3.41Å; W169-I173 HydrophobicContact CH2-CB 4.12Å; W169-I173 HydrophobicContact CH2-CG1 4.27Å; W169-I173 HydrophobicContact CH2-CG2 4.04Å; W169-I173 HydrophobicContact CZ3-CB 3.61Å; W169-I173 HydrophobicContact CZ3-CG1 3.38Å; W169-I173 HydrophobicContact CZ3-CG2 3.97Å; I173-G175 PolarHBondContact O-N 3.49Å; I173-V177 HydrophobicContact CG2-CB 3.92Å; I173-V177 HydrophobicContact CG2-CG1 3.77Å; I173-M178 HydrophobicContact CB-CG 3.63Å; I173-M178 HydrophobicContact CB-SD 3.66Å; I173-M178 HydrophobicContact CD1-SD 3.48Å; I173-M178 WeakPolarHBondContact CD1-SD 3.31Å; I173-M178 HydrophobicContact CG1-SD 4.15Å; I173-M178 HydrophobicContact CG2-CB 4.4Å; I173-M178 HydrophobicContact CG2-CG 3.45Å; I173-M178 VanDerWaalsContact CG2-CG 3.45Å; I173-M178 HydrophobicContact CG2-SD 3.54Å; I173-M178 VanDerWaalsContact CG2-SD 3.54Å
174S83.9Confident82Confident53 Ų5349.7 Ų49.737%0.37129%0.29SS..PPolyproline II helixtrans-60.3139.5178.878.10000108.2N172 A176 V177 M178N172-S174 PolarHBondContact O-N 3.24Å; S174-A176 PolarHBondContact O-N 2.8Å; S174-A176 VanDerWaalsContact O-N 3.07Å; S174-V177 PolarHBondContact O-N 2.84Å; S174-V177 VanDerWaalsContact OG-CG2 3.28Å; S174-V177 WeakPolarHBondContact OG-CG2 3.43Å; S174-V177 PolarHBondContact OG-N 3.45Å; S174-M178 PolarHBondContact O-N 2.84Å
175G85.2Confident82.3Confident62 Ų6252.1 Ų52.164%0.63930%0.301SS*.Hα-helixtrans-55.8-30.6-178.600000112.8I173 K179I173-G175 PolarHBondContact O-N 3.49Å; G175-K179 WeakPolarHBondContact O-CB 3.37Å; G175-K179 PolarHBondContact O-N 2.88Å
176A85.4Confident82.6Confident56 Ų5655.5 Ų55.546%0.46332%0.322SS..Hα-helixtrans-66.3-45.7174.800000112.8I155 S174 K179 E180I155-A176 HydrophobicContact CG2-CB 4.37Å; S174-A176 PolarHBondContact O-N 2.8Å; S174-A176 VanDerWaalsContact O-N 3.07Å; A176-K179 PolarHBondContact O-N 2.99Å; A176-E180 PolarHBondContact O-N 2.9Å
177V86.8Confident82.8Confident3 Ų355.6 Ų55.62%0.01832%0.322CS..Hα-helixtrans-67.9-42.4177.4172.30000110.7I155 A164 I173 S174 K179 E180 I181I155-V177 HydrophobicContact CD1-CB 4.49Å; I155-V177 HydrophobicContact CD1-CG2 3.99Å; I155-V177 HydrophobicContact CG2-CG2 4.36Å; A164-V177 HydrophobicContact CB-CG1 4.2Å; I173-V177 HydrophobicContact CG2-CB 3.92Å; I173-V177 HydrophobicContact CG2-CG1 3.77Å; S174-V177 PolarHBondContact O-N 2.84Å; S174-V177 VanDerWaalsContact OG-CG2 3.28Å; S174-V177 WeakPolarHBondContact OG-CG2 3.43Å; S174-V177 PolarHBondContact OG-N 3.45Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 3.15Å; V177-E180 PolarHBondContact O-N 3.12Å; V177-I181 HydrophobicContact CG1-CD1 3.81Å; V177-I181 HydrophobicContact CG1-CG1 4.43Å; V177-I181 WeakPolarHBondContact O-CG1 3.35Å; V177-I181 PolarHBondContact O-N 2.99Å; V177-I181 VanDerWaalsContact O-N 3.07Å
178M87.8Confident83.5Confident73 Ų7353.5 Ų53.536%0.3630%0.299SS..Hα-helixtrans-58.2-41.1175.3-79.9-53.7-66.500112.2I173 S174 E180 I181 C182I173-M178 HydrophobicContact CB-CG 3.63Å; I173-M178 HydrophobicContact CB-SD 3.66Å; I173-M178 HydrophobicContact CD1-SD 3.48Å; I173-M178 WeakPolarHBondContact CD1-SD 3.31Å; I173-M178 HydrophobicContact CG1-SD 4.15Å; I173-M178 HydrophobicContact CG2-CB 4.4Å; I173-M178 HydrophobicContact CG2-CG 3.45Å; I173-M178 VanDerWaalsContact CG2-CG 3.45Å; I173-M178 HydrophobicContact CG2-SD 3.54Å; I173-M178 VanDerWaalsContact CG2-SD 3.54Å; S174-M178 PolarHBondContact O-N 2.84Å; M178-E180 PolarHBondContact O-N 3.35Å; M178-I181 PolarHBondContact O-N 3.32Å; M178-I181 HydrophobicContact SD-CD1 4.41Å; M178-C182 PolarHBondContact O-N 2.77Å; M178-C182 PolarHBondContact O-SG 3.01Å
179K88.6Confident84.6Confident117 Ų11757 Ų5751%0.50932%0.317SS..Hα-helixtrans-60.1-45.6179.2-173.1177.8177178.80111.9G175 A176 V177 C182 E183G175-K179 WeakPolarHBondContact O-CB 3.37Å; G175-K179 PolarHBondContact O-N 2.88Å; A176-K179 PolarHBondContact O-N 2.99Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 3.15Å; K179-C182 PolarHBondContact O-N 3.48Å; K179-E183 PolarHBondContact O-N 3.29Å; K179-E183 VanDerWaalsContact O-N 3.14Å
180E89Confident85.7Confident1 Ų157.1 Ų57.11%0.00532%0.32CS..Hα-helixtrans-63-42.8175.8-65.3-61.9158.100112.1S151 R154 I155 V161 A176 V177 M178 C182 E183 L184S151-E180 WeakPolarHBondContact CB-OE2 3.36Å; R154-E180 IonicContact CZ-OE1 3.97Å; R154-E180 IonicContact NE-OE1 2.63Å; R154-E180 PolarHBondContact NE-OE1 3.05Å; R154-E180 IonicContact NH2-OE1 3.11Å; R154-E180 PolarHBondContact NH2-OE1 3.38Å; I155-E180 HydrophobicContact CD1-CB 4.12Å; I155-E180 HydrophobicContact CD1-CG 3.29Å; I155-E180 HydrophobicContact CG1-CG 3.88Å; V161-E180 HydrophobicContact CG2-CB 4.41Å; A176-E180 PolarHBondContact O-N 2.9Å; V177-E180 PolarHBondContact O-N 3.12Å; M178-E180 PolarHBondContact O-N 3.35Å; E180-C182 VanDerWaalsContact C-N 3.35Å; E180-C182 PolarHBondContact O-N 2.69Å; E180-E183 PolarHBondContact O-N 3.22Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 2.83Å
181I89.9Confident87.4Confident3 Ų353.5 Ų53.52%0.01530%0.301CS..Hα-helixtrans-60.8-46.1178.2-65.6165.3000110.3V161 A164 L165 V177 M178 E183 L184 E185V161-I181 HydrophobicContact CG1-CG1 4.48Å; A164-I181 HydrophobicContact CB-CD1 3.33Å; A164-I181 HydrophobicContact CB-CG1 4.46Å; L165-I181 HydrophobicContact CD2-CG2 4.36Å; V177-I181 HydrophobicContact CG1-CD1 3.81Å; V177-I181 HydrophobicContact CG1-CG1 4.43Å; V177-I181 WeakPolarHBondContact O-CG1 3.35Å; V177-I181 PolarHBondContact O-N 2.99Å; V177-I181 VanDerWaalsContact O-N 3.07Å; M178-I181 PolarHBondContact O-N 3.32Å; M178-I181 HydrophobicContact SD-CD1 4.41Å; I181-E183 VanDerWaalsContact C-N 3.28Å; I181-E183 PolarHBondContact O-N 3.33Å; I181-L184 PolarHBondContact O-N 2.91Å; I181-E185 HydrophobicContact CG2-CG 4.17Å; I181-E185 WeakPolarHBondContact O-CB 3.33Å; I181-E185 VanDerWaalsContact O-CG 3.32Å; I181-E185 WeakPolarHBondContact O-CG 3.47Å; I181-E185 PolarHBondContact O-N 3.35Å
182C90.8Very high88.8Confident60 Ų6048.8 Ų48.841%0.40528%0.279SS..Hα-helixtrans-59.9-38.7178.2-69.70000112.1M178 K179 E180 T186M178-C182 PolarHBondContact O-N 2.77Å; M178-C182 PolarHBondContact O-SG 3.01Å; K179-C182 PolarHBondContact O-N 3.48Å; E180-C182 VanDerWaalsContact C-N 3.35Å; E180-C182 PolarHBondContact O-N 2.69Å; C182-T186 WeakPolarHBondContact O-CB 3.42Å; C182-T186 PolarHBondContact O-N 3.48Å; C182-T186 PolarHBondContact O-OG1 3.12Å
183E90.6Very high89.9Confident36 Ų3644.7 Ų44.717%0.16826%0.263CS..Hα-helixtrans-69.4-41.9175.9-71.7-166.1-152.300112.3K179 E180 I181 T186 W187 S467 T468 L469K179-E183 PolarHBondContact O-N 3.29Å; K179-E183 VanDerWaalsContact O-N 3.14Å; E180-E183 PolarHBondContact O-N 3.22Å; I181-E183 VanDerWaalsContact C-N 3.28Å; I181-E183 PolarHBondContact O-N 3.33Å; E183-T186 PolarHBondContact O-N 2.78Å; E183-W187 WeakPolarHBondContact O-CB 3.42Å; E183-W187 PolarHBondContact O-N 2.91Å; E183-S467 PolarHBondContact OE2-OG 3.41Å; E183-T468 WeakPolarHBondContact OE1-CG2 3.35Å; E183-T468 PolarHBondContact OE1-OG1 3.45Å; E183-T468 WeakPolarHBondContact OE2-CA 3.49Å; E183-T468 WeakPolarHBondContact OE2-CB 3.43Å; E183-T468 PolarHBondContact OE2-N 3.39Å; E183-T468 PolarHBondContact OE2-OG1 2.87Å; E183-L469 HydrophobicContact CB-CD1 4.14Å; E183-L469 HydrophobicContact CB-CD2 4.36Å; E183-L469 HydrophobicContact CB-CG 3.98Å; E183-L469 PolarHBondContact OE2-N 2.84Å
184L92.2Very high90.7Very high1 Ų141.4 Ų41.41%0.00525%0.246CC..Hα-helixtrans-61.1-44174.2-72.3167.5000111.7L147 I148 V161 L165 E180 I181 W187 I188 L469L147-L184 HydrophobicContact CB-CD2 4.16Å; I148-L184 HydrophobicContact CG1-CD1 4.03Å; I148-L184 HydrophobicContact CG1-CD2 4.09Å; V161-L184 HydrophobicContact CG1-CD1 3.78Å; L165-L184 HydrophobicContact CD1-CD1 4.31Å; E180-L184 WeakPolarHBondContact O-CG 3.26Å; E180-L184 PolarHBondContact O-N 2.83Å; I181-L184 PolarHBondContact O-N 2.91Å; L184-W187 WeakPolarHBondContact O-CB 3.23Å; L184-W187 PolarHBondContact O-N 3.02Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 2.75Å; L184-L469 HydrophobicContact CD2-CD1 4.33Å; L184-L469 HydrophobicContact CD2-CD2 3.67Å; L184-L469 HydrophobicContact CG-CD2 3.92Å
185E92.3Very high91.1Very high55 Ų5541.4 Ų41.426%0.25725%0.245SC..Hα-helixtrans-65.6-39.8176.8-70.9-171.4157.100111.7R41 Y43 I181 W187 I188 L189R41-E185 IonicContact CZ-OE1 3.31Å; R41-E185 IonicContact NH1-OE1 2.91Å; R41-E185 PolarHBondContact NH1-OE1 3.04Å; Y43-E185 HydrophobicContact CE1-CB 4.23Å; Y43-E185 HydrophobicContact CE1-CG 3.67Å; Y43-E185 WeakPolarHBondContact OH-CG 3.46Å; Y43-E185 PolarHBondContact OH-OE1 2.98Å; I181-E185 HydrophobicContact CG2-CG 4.17Å; I181-E185 WeakPolarHBondContact O-CB 3.33Å; I181-E185 VanDerWaalsContact O-CG 3.32Å; I181-E185 WeakPolarHBondContact O-CG 3.47Å; I181-E185 PolarHBondContact O-N 3.35Å; E185-W187 VanDerWaalsContact C-N 3.31Å; E185-W187 PolarHBondContact O-N 2.76Å; E185-I188 PolarHBondContact O-N 2.88Å; E185-L189 WeakPolarHBondContact O-CB 3.47Å; E185-L189 VanDerWaalsContact O-CG 3.28Å; E185-L189 WeakPolarHBondContact O-CG 3.28Å; E185-L189 PolarHBondContact O-N 3.26Å
186T91.9Very high91.3Very high75 Ų7539.6 Ų39.646%0.4622%0.222SC..Hα-helixtrans-61.8-41.6174-57.60000110.9C182 E183 L189 K190C182-T186 WeakPolarHBondContact O-CB 3.42Å; C182-T186 PolarHBondContact O-N 3.48Å; C182-T186 PolarHBondContact O-OG1 3.12Å; E183-T186 PolarHBondContact O-N 2.78Å; T186-L189 PolarHBondContact O-N 2.84Å; T186-K190 HydrophobicContact CG2-CD 4.45Å; T186-K190 WeakPolarHBondContact O-CB 3.36Å; T186-K190 WeakPolarHBondContact O-CG 3.48Å; T186-K190 PolarHBondContact O-N 2.81Å
187W92.7Very high91.5Very high4 Ų437 Ų372%0.01520%0.2CC..Hα-helixtrans-61.4-46.2174.8-175.693.8000111.5V143 L144 L147 E183 L184 E185 K190 L191 F208 V462 L469V143-W187 HydrophobicContact CG1-CZ2 4.33Å; L144-W187 HydrophobicContact CB-CH2 4.24Å; L144-W187 HydrophobicContact CB-CZ3 4.01Å; L144-W187 HydrophobicContact CD1-CE3 4.02Å; L144-W187 HydrophobicContact CD1-CZ3 3.83Å; L144-W187 HydrophobicContact CG-CZ3 4.33Å; L147-W187 HydrophobicContact CD1-CD2 4.26Å; L147-W187 HydrophobicContact CD1-CZ2 4.02Å; E183-W187 WeakPolarHBondContact O-CB 3.42Å; E183-W187 PolarHBondContact O-N 2.91Å; L184-W187 WeakPolarHBondContact O-CB 3.23Å; L184-W187 PolarHBondContact O-N 3.02Å; E185-W187 VanDerWaalsContact C-N 3.31Å; E185-W187 PolarHBondContact O-N 2.76Å; W187-K190 PolarHBondContact O-N 2.69Å; W187-L191 HydrophobicContact CH2-CD2 3.87Å; W187-L191 HydrophobicContact CZ3-CD2 3.74Å; W187-L191 WeakPolarHBondContact O-CB 3.21Å; W187-L191 PolarHBondContact O-N 2.95Å; W187-F208 HydrophobicContact CZ2-CB 3.93Å; W187-F208 HydrophobicContact CZ2-CD2 4.32Å; W187-F208 HydrophobicContact CZ2-CG 4.42Å; W187-F208 PolarHBondContact NE1-O 3.33Å; W187-F208 VanDerWaalsContact NE1-O 3.08Å; W187-V462 HydrophobicContact CD2-CG1 4.11Å; W187-V462 HydrophobicContact CG-CG1 3.94Å; W187-V462 VanDerWaalsContact O-CG1 3.22Å; W187-V462 WeakPolarHBondContact O-CG1 3.19Å; W187-L469 HydrophobicContact CB-CD1 3.89Å; W187-L469 HydrophobicContact CG-CD1 4.3Å
188I94.9Very high91.4Very high5 Ų538.6 Ų38.63%0.02621%0.213CC..Hα-helixtrans-62.4-46.1177.8-66164.7000110.9L16 Y43 L144 L184 E185 L191 L192L16-I188 HydrophobicContact CB-CG2 4.2Å; L16-I188 HydrophobicContact CD1-CG2 4.2Å; L16-I188 HydrophobicContact CD2-CD1 4.39Å; L16-I188 HydrophobicContact CD2-CG2 4.4Å; Y43-I188 HydrophobicContact CD1-CG2 4.16Å; Y43-I188 HydrophobicContact CD2-CD1 4.15Å; Y43-I188 HydrophobicContact CD2-CG2 3.92Å; Y43-I188 HydrophobicContact CE2-CD1 3.95Å; Y43-I188 HydrophobicContact CG-CG2 3.61Å; L144-I188 HydrophobicContact CD1-CD1 4.22Å; L144-I188 HydrophobicContact CD1-CG1 4.12Å; L144-I188 HydrophobicContact CD2-CD1 4.42Å; L144-I188 HydrophobicContact CD2-CG1 4.42Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 2.75Å; E185-I188 PolarHBondContact O-N 2.88Å; I188-L191 WeakPolarHBondContact O-CB 3.44Å; I188-L191 PolarHBondContact O-N 2.94Å; I188-L192 HydrophobicContact CG2-CD1 4Å; I188-L192 HydrophobicContact CG2-CG 4.47Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.48Å; I188-L192 PolarHBondContact O-N 3.5Å
189L94.1Very high91.1Very high89 Ų8937 Ų3747%0.46621%0.209SC..Hα-helixtrans-66.3-39-179.3-70.1173.1000112Y43 E185 T186 L192 S193Y43-L189 HydrophobicContact CD1-CD2 4.45Å; E185-L189 WeakPolarHBondContact O-CB 3.47Å; E185-L189 VanDerWaalsContact O-CG 3.28Å; E185-L189 WeakPolarHBondContact O-CG 3.28Å; E185-L189 PolarHBondContact O-N 3.26Å; T186-L189 PolarHBondContact O-N 2.84Å; L189-L192 HydrophobicContact CD2-CD1 4.38Å; L189-L192 PolarHBondContact O-N 2.89Å; L189-S193 PolarHBondContact O-N 3.44Å; L189-S193 VanDerWaalsContact O-N 3.1Å
190K93.1Very high90.5Very high77 Ų7732.4 Ų32.434%0.33520%0.195SC..Hα-helixtrans-63.5-42.6172.5-80-173.9170.4-166.50111.6T186 W187 L192 S193 A194 F460 V462T186-K190 HydrophobicContact CG2-CD 4.45Å; T186-K190 WeakPolarHBondContact O-CB 3.36Å; T186-K190 WeakPolarHBondContact O-CG 3.48Å; T186-K190 PolarHBondContact O-N 2.81Å; W187-K190 PolarHBondContact O-N 2.69Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 2.8Å; K190-S193 WeakPolarHBondContact CA-OG 3.32Å; K190-S193 PolarHBondContact O-N 3.35Å; K190-S193 VanDerWaalsContact O-N 3.08Å; K190-S193 PolarHBondContact O-OG 2.93Å; K190-A194 PolarHBondContact O-N 3.47Å; K190-F460 VanDerWaalsContact O-CE1 3.3Å; K190-F460 WeakPolarHBondContact O-CE1 3.16Å; K190-V462 HydrophobicContact CB-CG1 3.87Å; K190-V462 WeakPolarHBondContact CD-O 3.46Å
191L94.2Very high90.1Very high2 Ų239.2 Ų39.21%0.0122%0.224CC..Hα-helixtrans-58.1-43.6174.8176.164.2000111.5I13 L140 W187 I188 S193 A194 L206 V462I13-L191 HydrophobicContact CD1-CD1 4.22Å; I13-L191 HydrophobicContact CD1-CD2 4.17Å; I13-L191 HydrophobicContact CD1-CG 3.96Å; L140-L191 HydrophobicContact CD1-CD1 4.07Å; L140-L191 HydrophobicContact CD1-CD2 4.49Å; L140-L191 HydrophobicContact CD2-CD1 4.36Å; W187-L191 HydrophobicContact CH2-CD2 3.87Å; W187-L191 HydrophobicContact CZ3-CD2 3.74Å; W187-L191 WeakPolarHBondContact O-CB 3.21Å; W187-L191 PolarHBondContact O-N 2.95Å; I188-L191 WeakPolarHBondContact O-CB 3.44Å; I188-L191 PolarHBondContact O-N 2.94Å; L191-S193 PolarHBondContact O-N 3.43Å; L191-A194 VanDerWaalsContact O-CB 3.26Å; L191-A194 WeakPolarHBondContact O-CB 3.33Å; L191-A194 PolarHBondContact O-N 3.43Å; L191-L206 HydrophobicContact CD1-CD1 4.45Å; L191-L206 HydrophobicContact CD1-CD2 3.56Å; L191-V462 HydrophobicContact CB-CG1 4.03Å; L191-V462 HydrophobicContact CD1-CG2 4.4Å
192L94.9Very high89.9Confident22 Ų2239.9 Ų39.912%0.11523%0.229CC..Hα-helixtrans-65.9-24.1177.3-69.5168.2000113.4I13 Y43 I188 L189 K190 A194I13-L192 HydrophobicContact CB-CD2 3.9Å; I13-L192 HydrophobicContact CG2-CD2 3.43Å; I13-L192 VanDerWaalsContact CG2-CD2 3.43Å; Y43-L192 VanDerWaalsContact C-CD1 3.49Å; Y43-L192 WeakPolarHBondContact O-CD1 3.49Å; I188-L192 HydrophobicContact CG2-CD1 4Å; I188-L192 HydrophobicContact CG2-CG 4.47Å; I188-L192 VanDerWaalsContact O-CG 3.3Å; I188-L192 WeakPolarHBondContact O-CG 3.48Å; I188-L192 PolarHBondContact O-N 3.5Å; L189-L192 HydrophobicContact CD2-CD1 4.38Å; L189-L192 PolarHBondContact O-N 2.89Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 2.8Å; L192-A194 VanDerWaalsContact C-N 3.31Å
193S94Very high89.8Confident74 Ų7439.6 Ų39.652%0.51722%0.22SC..THydrogen-bonded Turntrans-84-0.7176.167.70000114.4L189 K190 L191 F460L189-S193 PolarHBondContact O-N 3.44Å; L189-S193 VanDerWaalsContact O-N 3.1Å; K190-S193 WeakPolarHBondContact CA-OG 3.32Å; K190-S193 PolarHBondContact O-N 3.35Å; K190-S193 VanDerWaalsContact O-N 3.08Å; K190-S193 PolarHBondContact O-OG 2.93Å; L191-S193 PolarHBondContact O-N 3.43Å; S193-F460 WeakPolarHBondContact OG-CZ 3.32Å
194A93.1Very high89.8Confident2 Ų238 Ų382%0.01721%0.213CC..PPolyproline II helixtrans-62.2132177.900000111.3L12 K190 L191 L192 L204 L206 F460L12-A194 HydrophobicContact CD2-CB 4.15Å; K190-A194 PolarHBondContact O-N 3.47Å; L191-A194 VanDerWaalsContact O-CB 3.26Å; L191-A194 WeakPolarHBondContact O-CB 3.33Å; L191-A194 PolarHBondContact O-N 3.43Å; L192-A194 VanDerWaalsContact C-N 3.31Å; A194-L204 HydrophobicContact CB-CD2 4.4Å; A194-L206 HydrophobicContact CB-CD1 3.75Å; A194-F460 HydrophobicContact CB-CD1 4.03Å; A194-F460 HydrophobicContact CB-CE1 4.06Å; A194-F460 HydrophobicContact CB-CG 4.48Å
195P90.9Very high89.8Confident53 Ų5339.6 Ų39.634%0.34422%0.22SC..BIsolated β-bridgetrans-74150.4-177.130.2-34.1000111.4L204 F460P195-L204 HydrophobicContact CG-CD1 4Å; P195-L204 WeakPolarHBondContact O-CD2 3.12Å; P195-F460 HydrophobicContact CG-CD2 4.47Å
196V90.2Very high89.8Confident24 Ų2437 Ų3715%0.14521%0.208CC..PPolyproline II helixtrans-74.5137.3170.9730000110.9L8 C9 P10 H131 L221L8-V196 HydrophobicContact CD2-CG1 3.68Å; L8-V196 HydrophobicContact CD2-CG2 4.4Å; L8-V196 HydrophobicContact CG-CG1 4.37Å; C9-V196 WeakPolarHBondContact O-CG1 3.37Å; P10-V196 PolarHBondContact O-N 2.92Å; H131-V196 WeakPolarHBondContact CE1-CG2 2.92Å; H131-V196 VanDerWaalsContact NE2-CG2 3.32Å; H131-V196 WeakPolarHBondContact NE2-CG2 3.17Å; V196-L221 HydrophobicContact CG2-CD1 4.19Å
197P88.9Confident89.6Confident0 Ų035.2 Ų35.20%019%0.194CC..PPolyproline II helixtrans-66.4135.8169.126.7-33.9000111.2P199 T202 L204 F219 L221P197-P199 WeakPolarHBondContact O-CD 3.39Å; P197-T202 WeakPolarHBondContact CA-OG1 3.39Å; P197-T202 WeakPolarHBondContact CB-O 3.25Å; P197-L204 HydrophobicContact CB-CB 4.47Å; P197-F219 HydrophobicContact CG-CB 4.22Å; P197-L221 HydrophobicContact CG-CG 4.44Å
198A85.2Confident89.3Confident37 Ų3735.1 Ų35.131%0.30619%0.194SC..PPolyproline II helixtrans-66.2123.1170.400000110.7G200 F201 T202A198-G200 PolarHBondContact O-N 3.23Å; A198-F201 HydrophobicContact CB-CB 4.12Å; A198-F201 PolarHBondContact O-N 2.84Å; A198-F201 VanDerWaalsContact O-N 3.09Å; A198-T202 HydrophobicContact CB-CG2 4.16Å; A198-T202 PolarHBondContact N-OG1 3.28Å; A198-T202 PolarHBondContact O-N 3.22Å; A198-T202 VanDerWaalsContact O-N 3.15Å
199P80.8Confident88.6Confident40 Ų4035.2 Ų35.226%0.2620%0.195SC..THydrogen-bonded Turntrans-55.6121.4-176.6-2531.8000113.5L8 P197 F201 L221 P222L8-P199 HydrophobicContact CD1-CG 3.82Å; L8-P199 HydrophobicContact CD2-CG 4.36Å; P197-P199 WeakPolarHBondContact O-CD 3.39Å; P199-F201 VanDerWaalsContact C-N 3.26Å; P199-F201 WeakPolarHBondContact O-CD2 3.38Å; P199-F201 PolarHBondContact O-N 3.16Å; P199-L221 HydrophobicContact CB-CB 3.92Å; P199-L221 HydrophobicContact CG-CB 4Å; P199-L221 HydrophobicContact CG-CD1 3.95Å; P199-P222 WeakPolarHBondContact CB-O 3.42Å
200G76.3Confident87.7Confident21 Ų2132.4 Ų32.422%0.21618%0.181CC..THydrogen-bonded Turntrans72.35.8179.800000116.2A198 L221 L455A198-G200 PolarHBondContact O-N 3.23Å; G200-L221 PolarHBondContact N-O 3.41Å; G200-L455 WeakPolarHBondContact O-CD2 3.01Å
201F80.2Confident86.9Confident143 Ų14332.3 Ų32.363%0.62719%0.19SC*.THydrogen-bonded Turntrans-123.6-41.3-178.5-67.5-79.3000114A198 P199 M456A198-F201 HydrophobicContact CB-CB 4.12Å; A198-F201 PolarHBondContact O-N 2.84Å; A198-F201 VanDerWaalsContact O-N 3.09Å; P199-F201 VanDerWaalsContact C-N 3.26Å; P199-F201 WeakPolarHBondContact O-CD2 3.38Å; P199-F201 PolarHBondContact O-N 3.16Å; F201-M456 PolarHBondContact O-N 3.26Å
202T86.1Confident85.9Confident17 Ų1738.8 Ų38.810%0.10423%0.225CC..EExtended strand (participates in β ladder)trans-129.4153-175.866.90000111.3P197 A198 M456P197-T202 WeakPolarHBondContact CA-OG1 3.39Å; P197-T202 WeakPolarHBondContact CB-O 3.25Å; A198-T202 HydrophobicContact CB-CG2 4.16Å; A198-T202 PolarHBondContact N-OG1 3.28Å; A198-T202 PolarHBondContact O-N 3.22Å; A198-T202 VanDerWaalsContact O-N 3.15Å; T202-M456 CarbonylContact C-O 3.51Å; T202-M456 WeakPolarHBondContact CA-O 3.14Å; T202-M456 WeakPolarHBondContact CB-O 3.19Å; T202-M456 HydrophobicContact CG2-CB 4.22Å
203K88.9Confident84.8Confident54 Ų5440 Ų4024%0.23523%0.232CC..EExtended strand (participates in β ladder)trans-118138.1165.962.6-171.4174.3-159.20109.7I218 F219 A220 L455 M456 L457 N458K203-I218 HydrophobicContact CB-CG2 4.22Å; K203-I218 HydrophobicContact CD-CG2 4.4Å; K203-F219 CarbonylContact C-O 3.48Å; K203-F219 WeakPolarHBondContact CA-O 3.21Å; K203-A220 HydrophobicContact CB-CB 3.97Å; K203-L455 HydrophobicContact CB-CB 4.25Å; K203-L455 HydrophobicContact CB-CD1 4.29Å; K203-L455 HydrophobicContact CD-CB 4.13Å; K203-L455 WeakPolarHBondContact CE-O 3.42Å; K203-L455 HydrophobicContact CG-CB 4.15Å; K203-M456 PolarHBondContact N-O 3.37Å; K203-L457 HydrophobicContact CD-CD1 4.4Å; K203-L457 HydrophobicContact CG-CD1 3.97Å; K203-N458 PolarHBondContact O-N 3.45Å
204L91Very high84Confident2 Ų239 Ų391%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-93.8126.8173.1169.875.9000109.1L12 A194 P195 P197 L206 I218 F219 N458 F460L12-L204 HydrophobicContact CD2-CD2 3.63Å; A194-L204 HydrophobicContact CB-CD2 4.4Å; P195-L204 HydrophobicContact CG-CD1 4Å; P195-L204 WeakPolarHBondContact O-CD2 3.12Å; P197-L204 HydrophobicContact CB-CB 4.47Å; L204-L206 HydrophobicContact CD2-CD1 4.47Å; L204-I218 CarbonylContact O-C 3.48Å; L204-I218 VanDerWaalsContact O-CA 3.25Å; L204-I218 WeakPolarHBondContact O-CA 3.45Å; L204-F219 HydrophobicContact CB-CB 4.21Å; L204-F219 HydrophobicContact CD2-CB 4.31Å; L204-F219 HydrophobicContact CD2-CD2 3.96Å; L204-F219 HydrophobicContact CD2-CG 4.39Å; L204-F219 PolarHBondContact N-O 2.93Å; L204-F219 PolarHBondContact O-N 3.13Å; L204-N458 CarbonylContact C-O 3.49Å; L204-N458 WeakPolarHBondContact CA-O 3.24Å; L204-F460 HydrophobicContact CD1-CB 3.7Å
205Q91.9Very high83.4Confident35 Ų3546.1 Ų46.116%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-105.7106.5168.4-177179.230.200109.4P216 I218 L457 N458 E459 F460Q205-P216 HydrophobicContact CG-CB 3.66Å; Q205-P216 HydrophobicContact CG-CG 3.79Å; Q205-I218 HydrophobicContact CG-CG1 4.48Å; Q205-L457 HydrophobicContact CB-CD1 3.63Å; Q205-N458 PolarHBondContact N-O 3.06Å; Q205-E459 PolarHBondContact OE1-OE1 3.31Å; Q205-F460 PolarHBondContact O-N 2.94Å
206L91.7Very high83.1Confident0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-92.8108.9-176.2-169.979.5000110.4L140 L191 A194 L204 P216 F217 F219 F460 V462L140-L206 HydrophobicContact CD1-CD2 4.22Å; L140-L206 HydrophobicContact CD2-CD2 4.18Å; L191-L206 HydrophobicContact CD1-CD1 4.45Å; L191-L206 HydrophobicContact CD1-CD2 3.56Å; A194-L206 HydrophobicContact CB-CD1 3.75Å; L204-L206 HydrophobicContact CD2-CD1 4.47Å; L206-P216 WeakPolarHBondContact O-CA 3.4Å; L206-P216 WeakPolarHBondContact O-CB 3.44Å; L206-F217 HydrophobicContact CB-CB 4.49Å; L206-F217 WeakPolarHBondContact CB-O 3.41Å; L206-F217 PolarHBondContact N-O 3.47Å; L206-F217 PolarHBondContact O-N 3.21Å; L206-F219 HydrophobicContact CB-CD2 4.21Å; L206-F219 HydrophobicContact CB-CE2 3.91Å; L206-F219 HydrophobicContact CD2-CE2 3.8Å; L206-F219 HydrophobicContact CD2-CZ 4.41Å; L206-F219 HydrophobicContact CG-CE2 4.49Å; L206-F460 HydrophobicContact CD1-CB 4.32Å; L206-F460 HydrophobicContact CD1-CD1 3.68Å; L206-F460 HydrophobicContact CD1-CG 4.39Å; L206-V462 HydrophobicContact CD1-CG2 3.67Å; L206-V462 HydrophobicContact CG-CG2 4Å
207K89.5Confident83Confident39 Ų3944.4 Ų44.417%0.1724%0.239CC..EExtended strand (participates in β ladder)trans-95.998.6178-71.2169.6-178.1173.50109.2P216 E459 F460 D461 V462K207-P216 HydrophobicContact CG-CB 3.81Å; K207-P216 HydrophobicContact CG-CG 4.49Å; K207-E459 IonicContact NZ-OE1 2.64Å; K207-E459 PolarHBondContact NZ-OE1 2.98Å; K207-E459 IonicContact NZ-OE2 3.09Å; K207-E459 PolarHBondContact NZ-OE2 3.33Å; K207-F460 PolarHBondContact N-O 3.11Å; K207-D461 WeakPolarHBondContact CB-OD1 3.31Å; K207-D461 WeakPolarHBondContact CD-OD1 3.41Å; K207-V462 PolarHBondContact O-N 2.94Å
208F84.6Confident83Confident2 Ų248 Ų481%0.00926%0.257CS..  trans-106-10.2-174.961.9-94.1000115.2L140 V143 W187 H214 F217 V462 I463L140-F208 HydrophobicContact CD2-CD1 3.93Å; L140-F208 HydrophobicContact CD2-CE1 4.24Å; L140-F208 HydrophobicContact CD2-CG 4.13Å; V143-F208 HydrophobicContact CB-CE2 4.1Å; V143-F208 HydrophobicContact CG1-CD2 3.72Å; V143-F208 HydrophobicContact CG1-CE2 3.62Å; V143-F208 HydrophobicContact CG2-CD2 4.47Å; V143-F208 HydrophobicContact CG2-CE2 3.6Å; V143-F208 HydrophobicContact CG2-CZ 4.09Å; W187-F208 HydrophobicContact CZ2-CB 3.93Å; W187-F208 HydrophobicContact CZ2-CD2 4.32Å; W187-F208 HydrophobicContact CZ2-CG 4.42Å; W187-F208 PolarHBondContact NE1-O 3.33Å; W187-F208 VanDerWaalsContact NE1-O 3.08Å; F208-H214 HydrophobicContact CE2-CB 4.43Å; F208-H214 AromaticContact CE2-CG 3.98Å; F208-H214 AromaticContact CE2-ND1 4Å; F208-H214 AromaticContact CZ-CE1 3.58Å; F208-H214 AromaticContact CZ-CG 3.81Å; F208-H214 AromaticContact CZ-ND1 3.34Å; F208-H214 VanDerWaalsContact CZ-ND1 3.34Å; F208-H214 WeakPolarHBondContact CZ-ND1 3.31Å; F208-F217 HydrophobicContact CD1-CD2 4.05Å; F208-F217 HydrophobicContact CD1-CE2 4.32Å; F208-F217 HydrophobicContact CD1-CG 4.4Å; F208-F217 HydrophobicContact CE1-CB 4.3Å; F208-F217 AromaticContact CE1-CD1 3.88Å; F208-F217 HydrophobicContact CE1-CD1 3.88Å; F208-F217 AromaticContact CE1-CD2 3.35Å; F208-F217 HydrophobicContact CE1-CD2 3.35Å; F208-F217 AromaticContact CE1-CE1 3.95Å; F208-F217 HydrophobicContact CE1-CE1 3.95Å; F208-F217 AromaticContact CE1-CE2 3.4Å; F208-F217 HydrophobicContact CE1-CE2 3.4Å; F208-F217 AromaticContact CE1-CG 3.57Å; F208-F217 HydrophobicContact CE1-CG 3.57Å; F208-F217 AromaticContact CE1-CZ 3.69Å; F208-F217 HydrophobicContact CE1-CZ 3.69Å; F208-F217 HydrophobicContact CZ-CD1 4.36Å; F208-F217 HydrophobicContact CZ-CD2 4.04Å; F208-F217 AromaticContact CZ-CE1 3.98Å; F208-F217 HydrophobicContact CZ-CE1 3.98Å; F208-F217 AromaticContact CZ-CE2 3.58Å; F208-F217 HydrophobicContact CZ-CE2 3.58Å; F208-F217 HydrophobicContact CZ-CG 4.39Å; F208-F217 AromaticContact CZ-CZ 3.52Å; F208-F217 HydrophobicContact CZ-CZ 3.52Å; F208-V462 HydrophobicContact CB-CB 4.13Å; F208-V462 HydrophobicContact CB-CG2 4.11Å; F208-I463 WeakPolarHBondContact O-CD1 3.43Å
209L80.2Confident83.2Confident7 Ų746.2 Ų46.24%0.03724%0.243CC..SBendtrans-136.7159.3167.3-79.6168.4000107.1V143 L147 S211 H214 I463 W473V143-L209 HydrophobicContact CG1-CD1 4.17Å; L147-L209 HydrophobicContact CD2-CD2 4.21Å; L209-S211 PolarHBondContact O-N 3.2Å; L209-H214 HydrophobicContact CB-CB 3.94Å; L209-H214 HydrophobicContact CD1-CB 3.84Å; L209-I463 HydrophobicContact CD2-CD1 4.21Å; L209-W473 HydrophobicContact CD1-CD2 3.88Å; L209-W473 HydrophobicContact CD1-CE3 4.1Å; L209-W473 HydrophobicContact CD1-CG 4.42Å; L209-W473 HydrophobicContact CD1-CH2 4.12Å; L209-W473 HydrophobicContact CD1-CZ2 3.93Å; L209-W473 HydrophobicContact CD1-CZ3 4.18Å; L209-W473 HydrophobicContact CD2-CB 4.27Å; L209-W473 HydrophobicContact CD2-CD2 4.24Å; L209-W473 HydrophobicContact CD2-CE3 4.45Å; L209-W473 HydrophobicContact CD2-CG 4.15Å
210P76.2Confident83.5Confident29 Ų2944.4 Ų44.419%0.18823%0.231CC..  trans-50.4138.8168.3-22.830.5000111.3D212 L213 H214 S470P210-D212 WeakPolarHBondContact CB-OD1 3.47Å; P210-D212 PolarHBondContact O-N 3.49Å; P210-D212 VanDerWaalsContact O-N 3.12Å; P210-L213 HydrophobicContact CB-CD1 4.28Å; P210-L213 HydrophobicContact CB-CG 4.47Å; P210-L213 HydrophobicContact CG-CD1 3.96Å; P210-L213 PolarHBondContact O-N 2.88Å; P210-H214 PolarHBondContact O-N 3.44Å; P210-H214 VanDerWaalsContact O-N 3.16Å; P210-S470 WeakPolarHBondContact CG-OG 2.92Å
211S75.5Confident83.7Confident75 Ų7544.1 Ų44.152%0.52423%0.225SC..THydrogen-bonded Turntrans-63.9-19.5-172.2-55.30000113.9L209 L213L209-S211 PolarHBondContact O-N 3.2Å; S211-L213 VanDerWaalsContact C-N 3.33Å
212D73.4Confident83.3Confident138 Ų13838 Ų3874%0.73820%0.199SC*.THydrogen-bonded Turntrans-72.6-20.7171.546.8-58.2000113.7P210P210-D212 WeakPolarHBondContact CB-OD1 3.47Å; P210-D212 PolarHBondContact O-N 3.49Å; P210-D212 VanDerWaalsContact O-N 3.12Å
213L73.2Confident82.4Confident48 Ų4839.5 Ų39.525%0.25121%0.207SC..THydrogen-bonded Turntrans-103.4-31.8179.7-62.8173.5000113P210 S211 S474P210-L213 HydrophobicContact CB-CD1 4.28Å; P210-L213 HydrophobicContact CB-CG 4.47Å; P210-L213 HydrophobicContact CG-CD1 3.96Å; P210-L213 PolarHBondContact O-N 2.88Å; S211-L213 VanDerWaalsContact C-N 3.33Å; L213-S474 VanDerWaalsContact CD1-OG 3.31Å; L213-S474 WeakPolarHBondContact CD1-OG 3.48Å
214H75.4Confident81.1Confident52 Ų5244.7 Ų44.724%0.24123%0.231CC..SBendtrans-155.1138.2-179.5-160.1-68.5000111.7F208 L209 P210 F217F208-H214 HydrophobicContact CE2-CB 4.43Å; F208-H214 AromaticContact CE2-CG 3.98Å; F208-H214 AromaticContact CE2-ND1 4Å; F208-H214 AromaticContact CZ-CE1 3.58Å; F208-H214 AromaticContact CZ-CG 3.81Å; F208-H214 AromaticContact CZ-ND1 3.34Å; F208-H214 VanDerWaalsContact CZ-ND1 3.34Å; F208-H214 WeakPolarHBondContact CZ-ND1 3.31Å; L209-H214 HydrophobicContact CB-CB 3.94Å; L209-H214 HydrophobicContact CD1-CB 3.84Å; P210-H214 PolarHBondContact O-N 3.44Å; P210-H214 VanDerWaalsContact O-N 3.16Å; H214-F217 AromaticContact CE1-CE1 3.52Å; H214-F217 AromaticContact CE1-CZ 3.79Å
215E80.7Confident79.3Confident153 Ų15348 Ų4872%0.71525%0.252SS*.PPolyproline II helixtrans-66.6137.1174.2-167.6178.3176.100111
216P85.3Confident77.8Confident22 Ų2250.9 Ų50.914%0.14326%0.261CS..PPolyproline II helixtrans-66.7149.9-179.626.5-35000112.8Q205 L206 K207Q205-P216 HydrophobicContact CG-CB 3.66Å; Q205-P216 HydrophobicContact CG-CG 3.79Å; L206-P216 WeakPolarHBondContact O-CA 3.4Å; L206-P216 WeakPolarHBondContact O-CB 3.44Å; K207-P216 HydrophobicContact CG-CB 3.81Å; K207-P216 HydrophobicContact CG-CG 4.49Å
217F88.8Confident76.4Confident18 Ų1851.4 Ų51.48%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-86126.2175.9-69.1-19000111.8Q139 L140 L206 F208 H214 F219Q139-F217 HydrophobicContact CB-CE1 4.42Å; Q139-F217 HydrophobicContact CB-CE2 3.76Å; Q139-F217 HydrophobicContact CB-CZ 3.5Å; Q139-F217 VanDerWaalsContact CB-CZ 3.5Å; Q139-F217 HydrophobicContact CG-CZ 4.37Å; L140-F217 HydrophobicContact CD1-CD2 4.48Å; L140-F217 HydrophobicContact CD2-CD2 3.74Å; L140-F217 HydrophobicContact CD2-CE2 3.73Å; L140-F217 HydrophobicContact CG-CD2 3.77Å; L140-F217 HydrophobicContact CG-CE2 3.72Å; L206-F217 HydrophobicContact CB-CB 4.49Å; L206-F217 WeakPolarHBondContact CB-O 3.41Å; L206-F217 PolarHBondContact N-O 3.47Å; L206-F217 PolarHBondContact O-N 3.21Å; F208-F217 HydrophobicContact CD1-CD2 4.05Å; F208-F217 HydrophobicContact CD1-CE2 4.32Å; F208-F217 HydrophobicContact CD1-CG 4.4Å; F208-F217 HydrophobicContact CE1-CB 4.3Å; F208-F217 AromaticContact CE1-CD1 3.88Å; F208-F217 HydrophobicContact CE1-CD1 3.88Å; F208-F217 AromaticContact CE1-CD2 3.35Å; F208-F217 HydrophobicContact CE1-CD2 3.35Å; F208-F217 AromaticContact CE1-CE1 3.95Å; F208-F217 HydrophobicContact CE1-CE1 3.95Å; F208-F217 AromaticContact CE1-CE2 3.4Å; F208-F217 HydrophobicContact CE1-CE2 3.4Å; F208-F217 AromaticContact CE1-CG 3.57Å; F208-F217 HydrophobicContact CE1-CG 3.57Å; F208-F217 AromaticContact CE1-CZ 3.69Å; F208-F217 HydrophobicContact CE1-CZ 3.69Å; F208-F217 HydrophobicContact CZ-CD1 4.36Å; F208-F217 HydrophobicContact CZ-CD2 4.04Å; F208-F217 AromaticContact CZ-CE1 3.98Å; F208-F217 HydrophobicContact CZ-CE1 3.98Å; F208-F217 AromaticContact CZ-CE2 3.58Å; F208-F217 HydrophobicContact CZ-CE2 3.58Å; F208-F217 HydrophobicContact CZ-CG 4.39Å; F208-F217 AromaticContact CZ-CZ 3.52Å; F208-F217 HydrophobicContact CZ-CZ 3.52Å; H214-F217 AromaticContact CE1-CE1 3.52Å; H214-F217 AromaticContact CE1-CZ 3.79Å; F217-F219 HydrophobicContact CB-CD2 4.39Å; F217-F219 HydrophobicContact CB-CE2 3.69Å; F217-F219 HydrophobicContact CB-CZ 4.27Å
218I88.5Confident75.3Confident75 Ų7553.1 Ų53.139%0.38528%0.28SS..EExtended strand (participates in β ladder)trans-96.2118.1177.8-58.1174.9000109.3K136 K203 L204 Q205K136-I218 WeakPolarHBondContact CE-O 3.45Å; K136-I218 PolarHBondContact NZ-O 3.34Å; K203-I218 HydrophobicContact CB-CG2 4.22Å; K203-I218 HydrophobicContact CD-CG2 4.4Å; L204-I218 CarbonylContact O-C 3.48Å; L204-I218 VanDerWaalsContact O-CA 3.25Å; L204-I218 WeakPolarHBondContact O-CA 3.45Å; Q205-I218 HydrophobicContact CG-CG1 4.48Å
219F89.6Confident74.7Confident0 Ų053.9 Ų53.90%028%0.284CS..EExtended strand (participates in β ladder)trans-105.3133172.4-61.5-98.1000109.9L12 F133 K136 F137 L140 P197 K203 L204 L206 F217L12-F219 HydrophobicContact CD1-CD1 4.08Å; L12-F219 HydrophobicContact CD1-CG 4.38Å; L12-F219 HydrophobicContact CD2-CD1 4.3Å; L12-F219 HydrophobicContact CD2-CD2 4.21Å; L12-F219 HydrophobicContact CD2-CE1 4.33Å; L12-F219 HydrophobicContact CD2-CE2 4.25Å; L12-F219 HydrophobicContact CD2-CG 4.24Å; L12-F219 HydrophobicContact CD2-CZ 4.3Å; F133-F219 HydrophobicContact CB-CD1 4.02Å; F133-F219 HydrophobicContact CB-CE1 3.91Å; F133-F219 AromaticContact CD1-CD1 3.98Å; F133-F219 HydrophobicContact CD1-CD1 3.98Å; F133-F219 AromaticContact CD2-CD1 3.63Å; F133-F219 HydrophobicContact CD2-CD1 3.63Å; F133-F219 HydrophobicContact CD2-CE1 4.18Å; F133-F219 HydrophobicContact CE1-CD1 4.3Å; F133-F219 HydrophobicContact CE2-CB 4.42Å; F133-F219 AromaticContact CE2-CD1 3.97Å; F133-F219 HydrophobicContact CE2-CD1 3.97Å; F133-F219 AromaticContact CG-CD1 3.62Å; F133-F219 HydrophobicContact CG-CD1 3.62Å; F133-F219 HydrophobicContact CG-CE1 4.04Å; F133-F219 HydrophobicContact CZ-CB 4.23Å; F133-F219 HydrophobicContact CZ-CD1 4.28Å; K136-F219 HydrophobicContact CB-CE1 3.62Å; K136-F219 HydrophobicContact CB-CZ 3.8Å; K136-F219 HydrophobicContact CD-CD1 3.94Å; K136-F219 HydrophobicContact CD-CE1 3.85Å; K136-F219 HydrophobicContact CD-CG 4.4Å; K136-F219 HydrophobicContact CD-CZ 4.23Å; K136-F219 HydrophobicContact CG-CE1 4.35Å; F137-F219 HydrophobicContact CD1-CE1 4.21Å; F137-F219 AromaticContact CE1-CE1 3.83Å; F137-F219 HydrophobicContact CE1-CE1 3.83Å; F137-F219 HydrophobicContact CE1-CZ 4.37Å; L140-F219 HydrophobicContact CD1-CZ 4.11Å; P197-F219 HydrophobicContact CG-CB 4.22Å; K203-F219 CarbonylContact C-O 3.48Å; K203-F219 WeakPolarHBondContact CA-O 3.21Å; L204-F219 HydrophobicContact CB-CB 4.21Å; L204-F219 HydrophobicContact CD2-CB 4.31Å; L204-F219 HydrophobicContact CD2-CD2 3.96Å; L204-F219 HydrophobicContact CD2-CG 4.39Å; L204-F219 PolarHBondContact N-O 2.93Å; L204-F219 PolarHBondContact O-N 3.13Å; L206-F219 HydrophobicContact CB-CD2 4.21Å; L206-F219 HydrophobicContact CB-CE2 3.91Å; L206-F219 HydrophobicContact CD2-CE2 3.8Å; L206-F219 HydrophobicContact CD2-CZ 4.41Å; L206-F219 HydrophobicContact CG-CE2 4.49Å; F217-F219 HydrophobicContact CB-CD2 4.39Å; F217-F219 HydrophobicContact CB-CE2 3.69Å; F217-F219 HydrophobicContact CB-CZ 4.27Å
220A86.6Confident74.6Confident2 Ų253.7 Ų53.72%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-150.8150.6174.600000108.9F133 K203 Y451 L455F133-A220 VanDerWaalsContact CE1-O 3.24Å; F133-A220 WeakPolarHBondContact CE1-O 3.37Å; F133-A220 WeakPolarHBondContact CZ-O 3.46Å; K203-A220 HydrophobicContact CB-CB 3.97Å; A220-Y451 HydrophobicContact CB-CD1 3.2Å; A220-Y451 HydrophobicContact CB-CD2 4.47Å; A220-Y451 HydrophobicContact CB-CE1 3.28Å; A220-Y451 HydrophobicContact CB-CG 3.84Å; A220-Y451 WeakPolarHBondContact O-CE1 3.43Å; A220-Y451 PolarHBondContact O-OH 2.94Å; A220-Y451 VanDerWaalsContact O-OH 3.1Å; A220-L455 HydrophobicContact CB-CD1 4.05Å
221L80.8Confident75Confident16 Ų1653.2 Ų53.28%0.08428%0.28CS..  trans-113.6138.8177.7-73.4170.9000109.5L8 F133 V196 P197 P199 G200 L229L8-L221 HydrophobicContact CD1-CD1 4.19Å; F133-L221 HydrophobicContact CE1-CD2 4.21Å; F133-L221 HydrophobicContact CE2-CD2 4.17Å; F133-L221 HydrophobicContact CE2-CG 4.48Å; F133-L221 HydrophobicContact CZ-CD2 3.56Å; F133-L221 HydrophobicContact CZ-CG 3.84Å; V196-L221 HydrophobicContact CG2-CD1 4.19Å; P197-L221 HydrophobicContact CG-CG 4.44Å; P199-L221 HydrophobicContact CB-CB 3.92Å; P199-L221 HydrophobicContact CG-CB 4Å; P199-L221 HydrophobicContact CG-CD1 3.95Å; G200-L221 PolarHBondContact N-O 3.41Å; L221-L229 HydrophobicContact CD2-CD2 4.46Å
222P72.5Confident75.4Confident14 Ų1450.5 Ų50.59%0.09126%0.258CS..  trans-65153176.526.5-32.5000111.2P199 R226 F227 L229 W450P199-P222 WeakPolarHBondContact CB-O 3.42Å; P222-R226 HydrophobicContact CB-CB 4.26Å; P222-F227 WeakPolarHBondContact CG-O 3.37Å; P222-L229 HydrophobicContact CG-CB 4.19Å; P222-W450 HydrophobicContact CB-CE3 4.21Å; P222-W450 HydrophobicContact CG-CE3 4.43Å
223N65.4Low75.8Confident49 Ų4945.5 Ų45.526%0.26223%0.233SC..  trans-64.3152.3173.6-168.3-1.1000110.9V225 R226N223-V225 HydrophobicContact CB-CG2 4.17Å; N223-V225 PolarHBondContact O-N 3.48Å; N223-R226 PolarHBondContact O-N 3.24Å
224H63.2Low76.3Confident162 Ų16244.8 Ų44.875%0.7523%0.229SC*.THydrogen-bonded Turntrans-61.8-11.9-17868.8-78.5000115.6
225V52.5Low76.7Confident72 Ų7244.8 Ų44.844%0.43623%0.228SC..THydrogen-bonded Turntrans-89.9-9.9172.6-72.70000113.3N223N223-V225 HydrophobicContact CB-CG2 4.17Å; N223-V225 PolarHBondContact O-N 3.48Å
226R59.5Low77Confident95 Ų9538.5 Ų38.536%0.35820%0.199SC..SBendtrans-99.9171.8178.1-62.1-166.1-179.8-161.64.7110.8P222 N223 K449 W450P222-R226 HydrophobicContact CB-CB 4.26Å; N223-R226 PolarHBondContact O-N 3.24Å; R226-K449 PolarHBondContact NH1-O 3.35Å; R226-W450 PolarHBondContact NH1-O 3.39Å
227F63.1Low77.3Confident12 Ų1237.5 Ų37.55%0.05319%0.192CC..PPolyproline II helixtrans-59.7147.1174.4-68.3-95.2000111.5P222 Y281 L365 I444 W450P222-F227 WeakPolarHBondContact CG-O 3.37Å; F227-Y281 AromaticContact CD1-CD1 3.8Å; F227-Y281 HydrophobicContact CD1-CD1 3.8Å; F227-Y281 AromaticContact CD1-CD2 4Å; F227-Y281 HydrophobicContact CD1-CD2 4Å; F227-Y281 AromaticContact CD1-CE1 3.69Å; F227-Y281 HydrophobicContact CD1-CE1 3.69Å; F227-Y281 AromaticContact CD1-CE2 3.92Å; F227-Y281 HydrophobicContact CD1-CE2 3.92Å; F227-Y281 AromaticContact CD1-CG 3.93Å; F227-Y281 HydrophobicContact CD1-CG 3.93Å; F227-Y281 AromaticContact CD1-CZ 3.75Å; F227-Y281 AromaticContact CE1-CD1 3.2Å; F227-Y281 HydrophobicContact CE1-CD1 3.2Å; F227-Y281 HydrophobicContact CE1-CD2 4.25Å; F227-Y281 AromaticContact CE1-CE1 3.03Å; F227-Y281 HydrophobicContact CE1-CE1 3.03Å; F227-Y281 HydrophobicContact CE1-CE2 4.14Å; F227-Y281 AromaticContact CE1-CG 3.81Å; F227-Y281 HydrophobicContact CE1-CG 3.81Å; F227-Y281 AromaticContact CE1-CZ 3.56Å; F227-Y281 HydrophobicContact CZ-CD1 4.11Å; F227-Y281 AromaticContact CZ-CE1 3.58Å; F227-Y281 HydrophobicContact CZ-CE1 3.58Å; F227-L365 HydrophobicContact CD1-CD2 4.12Å; F227-L365 HydrophobicContact CE1-CD2 3.98Å; F227-I444 HydrophobicContact CE1-CG2 4.47Å; F227-I444 HydrophobicContact CE2-CB 4.12Å; F227-I444 HydrophobicContact CE2-CG1 3.77Å; F227-I444 HydrophobicContact CE2-CG2 4.3Å; F227-I444 HydrophobicContact CZ-CB 4.18Å; F227-I444 HydrophobicContact CZ-CG1 3.79Å; F227-I444 HydrophobicContact CZ-CG2 3.92Å; F227-W450 HydrophobicContact CB-CH2 3.27Å; F227-W450 HydrophobicContact CB-CZ2 3.85Å; F227-W450 HydrophobicContact CB-CZ3 3.72Å; F227-W450 HydrophobicContact CD2-CH2 4.47Å; F227-W450 HydrophobicContact CD2-CZ2 4.21Å; F227-W450 HydrophobicContact CG-CH2 4.1Å; F227-W450 HydrophobicContact CG-CZ2 4.28Å; F227-W450 WeakPolarHBondContact O-CZ3 3.39Å
228S66.3Low77.3Confident74 Ų7437.1 Ų37.152%0.51719%0.19SC..PPolyproline II helixtrans-60.2143.2170.845.70000110.6A230 Y278S228-A230 PolarHBondContact O-N 2.97Å; S228-Y278 VanDerWaalsContact O-CE2 3.29Å; S228-Y278 WeakPolarHBondContact O-CE2 3.34Å; S228-Y278 PolarHBondContact O-OH 3.42Å; S228-Y278 WeakPolarHBondContact OG-CE2 3.28Å
229L72.2Confident77.2Confident18 Ų1838.9 Ų38.99%0.09420%0.197CC..PPolyproline II helixtrans-62.4120.3178.9178.864.6000111.4P132 F133 L221 P222 Y451P132-L229 HydrophobicContact CG-CB 4.3Å; P132-L229 HydrophobicContact CG-CD2 4.4Å; F133-L229 HydrophobicContact CD1-CD2 3.57Å; F133-L229 HydrophobicContact CE1-CD2 3.39Å; F133-L229 HydrophobicContact CZ-CD2 4.32Å; L221-L229 HydrophobicContact CD2-CD2 4.46Å; P222-L229 HydrophobicContact CG-CB 4.19Å; L229-Y451 WeakPolarHBondContact CD1-OH 3.18Å
230A76.9Confident77.4Confident3 Ų341 Ų413%0.02521%0.208CC..  trans-105.187.916900000111.3S228 F232 I234 Y278 K447S228-A230 PolarHBondContact O-N 2.97Å; A230-F232 HydrophobicContact CB-CD1 4.41Å; A230-F232 HydrophobicContact CB-CE1 3.91Å; A230-F232 HydrophobicContact CB-CE2 4.36Å; A230-F232 HydrophobicContact CB-CZ 3.88Å; A230-F232 PolarHBondContact O-N 3.4Å; A230-I234 HydrophobicContact CB-CD1 3.94Å; A230-I234 HydrophobicContact CB-CG1 4.33Å; A230-Y278 HydrophobicContact CB-CD1 4.19Å; A230-Y278 HydrophobicContact CB-CD2 3.87Å; A230-Y278 HydrophobicContact CB-CE1 3.86Å; A230-Y278 HydrophobicContact CB-CE2 3.49Å; A230-Y278 VanDerWaalsContact CB-CE2 3.49Å; A230-Y278 HydrophobicContact CB-CG 4.19Å; A230-Y278 VanDerWaalsContact CB-CZ 3.49Å; A230-K447 WeakPolarHBondContact O-CE 3.3Å; A230-K447 PolarHBondContact O-NZ 3.26Å
231D85.2Confident77.6Confident20 Ų2041.5 Ų41.511%0.10721%0.211CC..  trans-81.750178.3-162.619.6000113.6P132 F134 T135 K447P132-D231 WeakPolarHBondContact O-CB 3.42Å; F134-D231 PolarHBondContact N-OD2 3.16Å; T135-D231 WeakPolarHBondContact CB-OD2 3.23Å; T135-D231 PolarHBondContact N-OD2 3.14Å; T135-D231 VanDerWaalsContact OG1-CG 3.26Å; T135-D231 PolarHBondContact OG1-OD1 3.43Å; T135-D231 PolarHBondContact OG1-OD2 3.47Å; D231-K447 IonicContact OD1-NZ 2.71Å
232F84.6Confident77.8Confident18 Ų1842.3 Ų42.38%0.07922%0.223CC..SBendtrans-155.7159.917952.8-91.3000111.3F134 A230 I234 I271 L274 A275 Y278F134-F232 HydrophobicContact CD2-CB 4.34Å; F134-F232 AromaticContact CD2-CD1 3.77Å; F134-F232 HydrophobicContact CD2-CD1 3.77Å; F134-F232 AromaticContact CE2-CD1 3.54Å; F134-F232 HydrophobicContact CE2-CD1 3.54Å; F134-F232 HydrophobicContact CE2-CE1 4.01Å; A230-F232 HydrophobicContact CB-CD1 4.41Å; A230-F232 HydrophobicContact CB-CE1 3.91Å; A230-F232 HydrophobicContact CB-CE2 4.36Å; A230-F232 HydrophobicContact CB-CZ 3.88Å; A230-F232 PolarHBondContact O-N 3.4Å; F232-I234 HydrophobicContact CD2-CG1 4.24Å; F232-I234 HydrophobicContact CE2-CG1 3.9Å; F232-I234 PolarHBondContact O-N 3.5Å; F232-I234 VanDerWaalsContact O-N 3.12Å; F232-I271 HydrophobicContact CB-CG1 4.36Å; F232-I271 HydrophobicContact CB-CG2 4.24Å; F232-I271 HydrophobicContact CD2-CG2 4.11Å; F232-L274 HydrophobicContact CE1-CB 4.33Å; F232-L274 HydrophobicContact CE2-CB 4.23Å; F232-L274 HydrophobicContact CZ-CB 4.01Å; F232-A275 HydrophobicContact CE2-CB 4.08Å; F232-Y278 HydrophobicContact CZ-CD2 4.41Å; F232-Y278 HydrophobicContact CZ-CG 4.24Å
233P82.5Confident78.2Confident32 Ų3243.4 Ų43.421%0.20823%0.233CC..  trans-76.495.9-17929.4-34.1000111.6Y235 L236 I271P233-Y235 HydrophobicContact CB-CD1 3.9Å; P233-Y235 HydrophobicContact CB-CE1 3.3Å; P233-Y235 HydrophobicContact CB-CE2 4.39Å; P233-Y235 PolarHBondContact O-N 2.89Å; P233-L236 HydrophobicContact CB-CB 4.44Å; P233-L236 HydrophobicContact CG-CB 4.27Å; P233-L236 HydrophobicContact CG-CD2 4.49Å; P233-L236 VanDerWaalsContact O-CB 3.28Å; P233-L236 WeakPolarHBondContact O-CB 3.49Å; P233-L236 PolarHBondContact O-N 3.39Å; P233-L236 VanDerWaalsContact O-N 3.12Å; P233-I271 HydrophobicContact CG-CD1 4.33Å; P233-I271 HydrophobicContact CG-CG2 4.18Å
234I83.1Confident78.9Confident33 Ų3347.2 Ų47.217%0.16925%0.249CC..THydrogen-bonded Turntrans-59-32.1178.7-60.5160.7000111.6A230 F232 L236 A275 Y278 L279A230-I234 HydrophobicContact CB-CD1 3.94Å; A230-I234 HydrophobicContact CB-CG1 4.33Å; F232-I234 HydrophobicContact CD2-CG1 4.24Å; F232-I234 HydrophobicContact CE2-CG1 3.9Å; F232-I234 PolarHBondContact O-N 3.5Å; F232-I234 VanDerWaalsContact O-N 3.12Å; I234-L236 PolarHBondContact O-N 2.91Å; I234-A275 HydrophobicContact CG2-CB 4.41Å; I234-Y278 HydrophobicContact CD1-CD1 3.45Å; I234-Y278 VanDerWaalsContact CD1-CD1 3.45Å; I234-Y278 HydrophobicContact CD1-CE1 3.34Å; I234-Y278 HydrophobicContact CD1-CG 4.49Å; I234-Y278 HydrophobicContact CG1-CD1 4Å; I234-Y278 HydrophobicContact CG1-CE1 4.36Å; I234-L279 HydrophobicContact CG2-CD1 4.02Å; I234-L279 HydrophobicContact CG2-CD2 3.66Å; I234-L279 HydrophobicContact CG2-CG 3.78Å
235Y82.6Confident80Confident53 Ų5340.1 Ų40.121%0.20822%0.22CC..THydrogen-bonded Turntrans-65.9-18.7-179.668.6-94.5000113.3P233 L237 F238 E239 V495 H497P233-Y235 HydrophobicContact CB-CD1 3.9Å; P233-Y235 HydrophobicContact CB-CE1 3.3Å; P233-Y235 HydrophobicContact CB-CE2 4.39Å; P233-Y235 PolarHBondContact O-N 2.89Å; Y235-L237 PolarHBondContact O-N 2.68Å; Y235-F238 WeakPolarHBondContact O-CA 3.48Å; Y235-F238 WeakPolarHBondContact O-CB 3.32Å; Y235-F238 PolarHBondContact O-N 3.49Å; Y235-E239 VanDerWaalsContact CE2-OE2 3.24Å; Y235-E239 WeakPolarHBondContact CE2-OE2 3.48Å; Y235-E239 PolarHBondContact O-N 2.92Å; Y235-V495 VanDerWaalsContact OH-CG1 3.24Å; Y235-V495 WeakPolarHBondContact OH-CG1 3.29Å; Y235-H497 HydrophobicContact CE1-CB 3.94Å; Y235-H497 WeakPolarHBondContact OH-CB 3.42Å
236L87.6Confident81.7Confident21 Ų2136.7 Ų36.711%0.1120%0.199CC..Hα-helixtrans-57.9-34.9-177.7-175.863.7000112.2P233 I234 F238 E239 L240 I271P233-L236 HydrophobicContact CB-CB 4.44Å; P233-L236 HydrophobicContact CG-CB 4.27Å; P233-L236 HydrophobicContact CG-CD2 4.49Å; P233-L236 VanDerWaalsContact O-CB 3.28Å; P233-L236 WeakPolarHBondContact O-CB 3.49Å; P233-L236 PolarHBondContact O-N 3.39Å; P233-L236 VanDerWaalsContact O-N 3.12Å; I234-L236 PolarHBondContact O-N 2.91Å; L236-F238 VanDerWaalsContact C-N 3.3Å; L236-F238 PolarHBondContact O-N 2.97Å; L236-E239 PolarHBondContact O-N 3.36Å; L236-L240 HydrophobicContact CD1-CD1 4.07Å; L236-L240 HydrophobicContact CD1-CG 4.05Å; L236-L240 HydrophobicContact CG-CD1 3.99Å; L236-L240 HydrophobicContact CG-CG 4.33Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 2.66Å; L236-I271 HydrophobicContact CB-CG2 4.36Å; L236-I271 HydrophobicContact CD2-CB 4.06Å; L236-I271 HydrophobicContact CD2-CD1 4.38Å; L236-I271 HydrophobicContact CD2-CG2 3.82Å
237L91Very high82.9Confident0 Ų032.6 Ų32.60%018%0.184CC..Hα-helixtrans-58.7-43174.4-178.968.6000112.1Y235 L241 A246 C272 A275 S276 L279Y235-L237 PolarHBondContact O-N 2.68Å; L237-L241 HydrophobicContact CD1-CD1 3.7Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 PolarHBondContact O-N 3.4Å; L237-L241 VanDerWaalsContact O-N 3.09Å; L237-A246 HydrophobicContact CD2-CB 4.18Å; L237-A246 HydrophobicContact CG-CB 3.98Å; L237-C272 HydrophobicContact CD1-CB 4.02Å; L237-A275 HydrophobicContact CB-CB 4.38Å; L237-S276 VanDerWaalsContact CD2-OG 3.31Å; L237-S276 WeakPolarHBondContact CD2-OG 3.41Å; L237-L279 HydrophobicContact CD2-CD1 3.86Å
238F89.2Confident84Confident10 Ų1032.5 Ų32.54%0.04418%0.184CC..Hα-helixtrans-76.1-33.3-179.8-63.7-91.1000111.8Y235 L236 G242 A246 F247 I250 L279 W364Y235-F238 WeakPolarHBondContact O-CA 3.48Å; Y235-F238 WeakPolarHBondContact O-CB 3.32Å; Y235-F238 PolarHBondContact O-N 3.49Å; L236-F238 VanDerWaalsContact C-N 3.3Å; L236-F238 PolarHBondContact O-N 2.97Å; F238-G242 CarbonylContact O-C 3.5Å; F238-G242 WeakPolarHBondContact O-CA 3.36Å; F238-G242 PolarHBondContact O-N 3.49Å; F238-A246 HydrophobicContact CD1-CB 3.47Å; F238-A246 VanDerWaalsContact CD1-CB 3.47Å; F238-A246 HydrophobicContact CE1-CB 3.6Å; F238-A246 HydrophobicContact CG-CB 4Å; F238-A246 HydrophobicContact CZ-CB 4.23Å; F238-F247 HydrophobicContact CE1-CD2 4.36Å; F238-F247 HydrophobicContact CE1-CE2 4.16Å; F238-I250 HydrophobicContact CZ-CD1 4.25Å; F238-L279 HydrophobicContact CE2-CD1 3.51Å; F238-L279 HydrophobicContact CE2-CD2 4.28Å; F238-L279 HydrophobicContact CZ-CD1 3.88Å; F238-W364 HydrophobicContact CB-CD2 4.27Å; F238-W364 HydrophobicContact CB-CZ2 4.06Å; F238-W364 AromaticContact CD1-CD2 3.61Å; F238-W364 HydrophobicContact CD1-CD2 3.61Å; F238-W364 AromaticContact CD1-CE2 3.91Å; F238-W364 AromaticContact CD1-CE3 3.53Å; F238-W364 HydrophobicContact CD1-CE3 3.53Å; F238-W364 HydrophobicContact CD1-CG 4.22Å; F238-W364 HydrophobicContact CD1-CH2 4.12Å; F238-W364 HydrophobicContact CD1-CZ2 4.17Å; F238-W364 AromaticContact CD1-CZ3 3.81Å; F238-W364 HydrophobicContact CD1-CZ3 3.81Å; F238-W364 HydrophobicContact CD2-CB 3.95Å; F238-W364 AromaticContact CD2-CD1 3.7Å; F238-W364 AromaticContact CD2-CD2 3.83Å; F238-W364 HydrophobicContact CD2-CD2 3.83Å; F238-W364 HydrophobicContact CD2-CE3 4.47Å; F238-W364 AromaticContact CD2-CG 3.55Å; F238-W364 HydrophobicContact CD2-CG 3.55Å; F238-W364 HydrophobicContact CE1-CB 4.48Å; F238-W364 AromaticContact CE1-CD2 3.81Å; F238-W364 HydrophobicContact CE1-CD2 3.81Å; F238-W364 AromaticContact CE1-CE3 3.45Å; F238-W364 HydrophobicContact CE1-CE3 3.45Å; F238-W364 VanDerWaalsContact CE1-CE3 3.45Å; F238-W364 HydrophobicContact CE1-CG 4.27Å; F238-W364 AromaticContact CE1-CZ3 3.98Å; F238-W364 HydrophobicContact CE1-CZ3 3.98Å; F238-W364 HydrophobicContact CE2-CB 3.46Å; F238-W364 VanDerWaalsContact CE2-CB 3.46Å; F238-W364 AromaticContact CE2-CD2 3.99Å; F238-W364 HydrophobicContact CE2-CD2 3.99Å; F238-W364 HydrophobicContact CE2-CE3 4.39Å; F238-W364 AromaticContact CE2-CG 3.58Å; F238-W364 HydrophobicContact CE2-CG 3.58Å; F238-W364 AromaticContact CG-CD2 3.63Å; F238-W364 HydrophobicContact CG-CD2 3.63Å; F238-W364 AromaticContact CG-CE2 3.69Å; F238-W364 HydrophobicContact CG-CE3 4.07Å; F238-W364 AromaticContact CG-CG 3.88Å; F238-W364 HydrophobicContact CG-CG 3.88Å; F238-W364 HydrophobicContact CG-CZ2 4.21Å; F238-W364 AromaticContact CG-NE1 3.91Å; F238-W364 HydrophobicContact CZ-CB 3.78Å; F238-W364 AromaticContact CZ-CD2 3.99Å; F238-W364 HydrophobicContact CZ-CD2 3.99Å; F238-W364 AromaticContact CZ-CE3 3.92Å; F238-W364 HydrophobicContact CZ-CE3 3.92Å; F238-W364 AromaticContact CZ-CG 3.96Å; F238-W364 HydrophobicContact CZ-CG 3.96Å
239E87.6Confident85.1Confident113 Ų11329 Ų2953%0.52816%0.16SC..Hα-helixtrans-63-44.6174.1-172.1179.3171.800111.3Y235 L236Y235-E239 VanDerWaalsContact CE2-OE2 3.24Å; Y235-E239 WeakPolarHBondContact CE2-OE2 3.48Å; Y235-E239 PolarHBondContact O-N 2.92Å; L236-E239 PolarHBondContact O-N 3.36Å
240L92.9Very high85.9Confident44 Ų4428.2 Ų28.223%0.2316%0.156CC..Hα-helixtrans-80.4-33.6-176.7-65.1178.8000114.1L236 A268 L336 S339L236-L240 HydrophobicContact CD1-CD1 4.07Å; L236-L240 HydrophobicContact CD1-CG 4.05Å; L236-L240 HydrophobicContact CG-CD1 3.99Å; L236-L240 HydrophobicContact CG-CG 4.33Å; L236-L240 WeakPolarHBondContact O-CG 3.31Å; L236-L240 PolarHBondContact O-N 2.66Å; L240-A268 HydrophobicContact CD1-CB 3.99Å; L240-L336 HydrophobicContact CB-CD2 4.48Å; L240-L336 HydrophobicContact CD1-CB 4.43Å; L240-S339 WeakPolarHBondContact O-CB 3.36Å; L240-S339 PolarHBondContact O-OG 3.31Å
241L90.6Very high86.3Confident13 Ų1328.3 Ų28.37%0.06816%0.156CC..Hα-helixtrans-106.6-10.6-176.1-66.8178.6000114.5L237 V249 V334 L336L237-L241 HydrophobicContact CD1-CD1 3.7Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 PolarHBondContact O-N 3.4Å; L237-L241 VanDerWaalsContact O-N 3.09Å; L241-V249 HydrophobicContact CD1-CG2 3.86Å; L241-V334 HydrophobicContact CD1-CG1 3.8Å; L241-V334 HydrophobicContact CD2-CG1 3.83Å; L241-V334 HydrophobicContact CG-CG1 4.44Å; L241-L336 HydrophobicContact CD1-CD2 4.07Å; L241-L336 HydrophobicContact CD2-CD2 3.93Å; L241-L336 HydrophobicContact CG-CD2 3.88Å
242G86Confident86.5Confident33 Ų3327.5 Ų27.534%0.3415%0.151SC..Hα-helixtrans67.3169.7-163.100000112.6F238 Q244 G245 A246F238-G242 CarbonylContact O-C 3.5Å; F238-G242 WeakPolarHBondContact O-CA 3.36Å; F238-G242 PolarHBondContact O-N 3.49Å; G242-Q244 PolarHBondContact O-N 3.01Å; G242-G245 PolarHBondContact O-N 2.82Å; G242-A246 VanDerWaalsContact O-CB 3.32Å; G242-A246 WeakPolarHBondContact O-CB 3.3Å; G242-A246 PolarHBondContact O-N 2.94Å
243A80Confident86.8Confident37 Ų3726.6 Ų26.631%0.30615%0.148SC..Hα-helixtrans-58.5-46.4-178.600000112.5G245 A246 F247 W364A243-G245 PolarHBondContact O-N 3.35Å; A243-A246 PolarHBondContact O-N 3.01Å; A243-F247 WeakPolarHBondContact O-CD2 3.42Å; A243-F247 PolarHBondContact O-N 3.08Å; A243-W364 HydrophobicContact CB-CH2 4.21Å; A243-W364 HydrophobicContact CB-CZ3 4.37Å
244Q79.7Confident87Confident129 Ų12925.1 Ų25.160%0.60314%0.138SC*.Hα-helixtrans-63.3-45.2-178.6-173.6179.6-6.300112.2G242 T248 L352G242-Q244 PolarHBondContact O-N 3.01Å; Q244-T248 WeakPolarHBondContact O-CB 3.41Å; Q244-T248 PolarHBondContact O-N 2.93Å; Q244-T248 PolarHBondContact O-OG1 2.71Å; Q244-L352 HydrophobicContact CG-CD2 3.62Å
245G86.5Confident87.2Confident13 Ų1324.1 Ų24.113%0.13413%0.133CC..Hα-helixtrans-65.5-45.2178.900000111.8G242 A243 T248 V249G242-G245 PolarHBondContact O-N 2.82Å; A243-G245 PolarHBondContact O-N 3.35Å; G245-T248 WeakPolarHBondContact O-CB 3.16Å; G245-T248 PolarHBondContact O-N 2.88Å; G245-V249 WeakPolarHBondContact O-CG2 3.42Å; G245-V249 PolarHBondContact O-N 2.8Å
246A88.8Confident87.6Confident0 Ų023.4 Ų23.40%013%0.132CC..Hα-helixtrans-60.2-47.9177.700000112.4L237 F238 G242 A243 T248 V249 I250L237-A246 HydrophobicContact CD2-CB 4.18Å; L237-A246 HydrophobicContact CG-CB 3.98Å; F238-A246 HydrophobicContact CD1-CB 3.47Å; F238-A246 VanDerWaalsContact CD1-CB 3.47Å; F238-A246 HydrophobicContact CE1-CB 3.6Å; F238-A246 HydrophobicContact CG-CB 4Å; F238-A246 HydrophobicContact CZ-CB 4.23Å; G242-A246 VanDerWaalsContact O-CB 3.32Å; G242-A246 WeakPolarHBondContact O-CB 3.3Å; G242-A246 PolarHBondContact O-N 2.94Å; A243-A246 PolarHBondContact O-N 3.01Å; A246-T248 VanDerWaalsContact C-N 3.32Å; A246-T248 PolarHBondContact O-N 3.14Å; A246-V249 PolarHBondContact O-N 2.86Å; A246-I250 WeakPolarHBondContact O-CG1 3.44Å; A246-I250 PolarHBondContact O-N 3.3Å
247F85.2Confident87.7Confident8 Ų825 Ų254%0.03514%0.138CC..Hα-helixtrans-63.9-37.2176.3-88.8-75.3000112.6F238 A243 V249 I250 L251 S355 M356 T367 V368F238-F247 HydrophobicContact CE1-CD2 4.36Å; F238-F247 HydrophobicContact CE1-CE2 4.16Å; A243-F247 WeakPolarHBondContact O-CD2 3.42Å; A243-F247 PolarHBondContact O-N 3.08Å; F247-V249 VanDerWaalsContact C-N 3.3Å; F247-V249 PolarHBondContact O-N 3.03Å; F247-I250 PolarHBondContact O-N 2.71Å; F247-L251 HydrophobicContact CB-CD1 4.46Å; F247-L251 WeakPolarHBondContact O-CB 3.27Å; F247-L251 VanDerWaalsContact O-CD1 3.3Å; F247-L251 WeakPolarHBondContact O-CD1 3.25Å; F247-L251 WeakPolarHBondContact O-CG 3.47Å; F247-L251 PolarHBondContact O-N 2.87Å; F247-S355 WeakPolarHBondContact CB-OG 3Å; F247-M356 HydrophobicContact CE1-SD 4.08Å; F247-M356 HydrophobicContact CZ-SD 4.06Å; F247-T367 HydrophobicContact CZ-CG2 4Å; F247-V368 HydrophobicContact CE1-CG2 3.97Å; F247-V368 HydrophobicContact CZ-CG2 4.1Å
248T85.3Confident87.8Confident11 Ų1125.9 Ų25.97%0.06714%0.142CC..Hα-helixtrans-57-47.9174.6-56.20000110.8Q244 G245 A246 L251 C252 V341 I344 L352Q244-T248 WeakPolarHBondContact O-CB 3.41Å; Q244-T248 PolarHBondContact O-N 2.93Å; Q244-T248 PolarHBondContact O-OG1 2.71Å; G245-T248 WeakPolarHBondContact O-CB 3.16Å; G245-T248 PolarHBondContact O-N 2.88Å; A246-T248 VanDerWaalsContact C-N 3.32Å; A246-T248 PolarHBondContact O-N 3.14Å; T248-L251 PolarHBondContact O-N 2.63Å; T248-C252 PolarHBondContact O-N 2.89Å; T248-C252 PolarHBondContact O-SG 3.22Å; T248-V341 HydrophobicContact CG2-CG1 4.19Å; T248-I344 HydrophobicContact CG2-CD1 4.07Å; T248-L352 WeakPolarHBondContact OG1-CD2 3.42Å
249V90.5Very high88Confident0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-60.5-49.6177.5170.80000111.2L241 G245 A246 F247 L251 C252 I253 V259 M261 V334 V341L241-V249 HydrophobicContact CD1-CG2 3.86Å; G245-V249 WeakPolarHBondContact O-CG2 3.42Å; G245-V249 PolarHBondContact O-N 2.8Å; A246-V249 PolarHBondContact O-N 2.86Å; F247-V249 VanDerWaalsContact C-N 3.3Å; F247-V249 PolarHBondContact O-N 3.03Å; V249-L251 VanDerWaalsContact C-N 3.27Å; V249-L251 PolarHBondContact O-N 2.72Å; V249-C252 PolarHBondContact O-N 3.38Å; V249-I253 HydrophobicContact CG1-CD1 3.84Å; V249-I253 VanDerWaalsContact O-CG1 3.28Å; V249-I253 WeakPolarHBondContact O-CG1 3.49Å; V249-I253 PolarHBondContact O-N 2.89Å; V249-V259 HydrophobicContact CG1-CG1 4.5Å; V249-M261 HydrophobicContact CG1-CE 3.37Å; V249-V334 HydrophobicContact CG2-CG1 4.14Å; V249-V334 HydrophobicContact CG2-CG2 3.64Å; V249-V341 HydrophobicContact CG2-CG2 4Å
250I88.8Confident88.4Confident1 Ų120 Ų201%0.00512%0.115CC..Hα-helixtrans-56.4-44.1178.2-67165.5000110.6F238 A246 F247 I253 L254 L279 L280 V368F238-I250 HydrophobicContact CZ-CD1 4.25Å; A246-I250 WeakPolarHBondContact O-CG1 3.44Å; A246-I250 PolarHBondContact O-N 3.3Å; F247-I250 PolarHBondContact O-N 2.71Å; I250-I253 PolarHBondContact O-N 3.14Å; I250-L254 HydrophobicContact CG2-CD1 4Å; I250-L254 HydrophobicContact CG2-CG 4.48Å; I250-L254 WeakPolarHBondContact O-CB 3.39Å; I250-L254 VanDerWaalsContact O-CG 3.25Å; I250-L254 WeakPolarHBondContact O-CG 3.47Å; I250-L254 PolarHBondContact O-N 3.18Å; I250-L279 HydrophobicContact CD1-CB 4.19Å; I250-L279 HydrophobicContact CD1-CD1 3.87Å; I250-L280 HydrophobicContact CG2-CD2 3.98Å; I250-V368 HydrophobicContact CD1-CG2 4.19Å
251L85.4Confident88.6Confident5 Ų518 Ų183%0.02610%0.104CC..Hα-helixtrans-69.9-37.5-179.5-64.6161.2000112.4F247 T248 V249 I253 L254 L255 I351 F371 F413F247-L251 HydrophobicContact CB-CD1 4.46Å; F247-L251 WeakPolarHBondContact O-CB 3.27Å; F247-L251 VanDerWaalsContact O-CD1 3.3Å; F247-L251 WeakPolarHBondContact O-CD1 3.25Å; F247-L251 WeakPolarHBondContact O-CG 3.47Å; F247-L251 PolarHBondContact O-N 2.87Å; T248-L251 PolarHBondContact O-N 2.63Å; V249-L251 VanDerWaalsContact C-N 3.27Å; V249-L251 PolarHBondContact O-N 2.72Å; L251-I253 VanDerWaalsContact C-N 3.33Å; L251-L254 HydrophobicContact CD2-CD1 4.02Å; L251-L254 PolarHBondContact O-N 3.46Å; L251-L255 WeakPolarHBondContact O-CG 3.28Å; L251-L255 PolarHBondContact O-N 3.49Å; L251-I351 HydrophobicContact CB-CG2 3.74Å; L251-I351 HydrophobicContact CD1-CG2 3.33Å; L251-I351 HydrophobicContact CD2-CG2 4.26Å; L251-I351 HydrophobicContact CG-CG2 3.94Å; L251-F371 HydrophobicContact CD2-CE1 3.84Å; L251-F371 HydrophobicContact CD2-CZ 3.78Å; L251-F413 HydrophobicContact CB-CE2 4.32Å; L251-F413 HydrophobicContact CD2-CE1 4.16Å; L251-F413 HydrophobicContact CD2-CE2 3.64Å; L251-F413 HydrophobicContact CD2-CZ 3.38Å
252C88.3Confident88.8Confident3 Ų318.8 Ų18.82%0.0211%0.108CC..Hα-helixtrans-60.9-42.4171.2-730000111.6T248 V249 L255 E256 Q257 V259T248-C252 PolarHBondContact O-N 2.89Å; T248-C252 PolarHBondContact O-SG 3.22Å; V249-C252 PolarHBondContact O-N 3.38Å; C252-L255 CarbonylContact O-C 3.6Å; C252-L255 PolarHBondContact O-N 3.39Å; C252-E256 PolarHBondContact O-N 2.96Å; C252-Q257 HydrophobicContact CB-CB 4.31Å; C252-Q257 HydrophobicContact CB-CG 4.43Å; C252-Q257 VanDerWaalsContact O-CB 3.28Å; C252-Q257 WeakPolarHBondContact O-CB 3.28Å; C252-Q257 VanDerWaalsContact O-CG 3.29Å; C252-Q257 WeakPolarHBondContact O-CG 3.39Å; C252-Q257 PolarHBondContact O-N 2.88Å; C252-V259 HydrophobicContact CB-CG2 4.12Å
253I91.8Very high89.2Confident0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-66.5-41.2177.8-62.8168000110.8V249 I250 L251 L255 E256 V259 I277 L280 Y285 V311V249-I253 HydrophobicContact CG1-CD1 3.84Å; V249-I253 VanDerWaalsContact O-CG1 3.28Å; V249-I253 WeakPolarHBondContact O-CG1 3.49Å; V249-I253 PolarHBondContact O-N 2.89Å; I250-I253 PolarHBondContact O-N 3.14Å; L251-I253 VanDerWaalsContact C-N 3.33Å; I253-L255 VanDerWaalsContact C-N 3.28Å; I253-L255 PolarHBondContact O-N 3.22Å; I253-E256 PolarHBondContact O-N 2.84Å; I253-V259 HydrophobicContact CG1-CB 4.43Å; I253-V259 HydrophobicContact CG1-CG2 3.87Å; I253-I277 HydrophobicContact CG2-CD1 4.09Å; I253-L280 HydrophobicContact CG2-CD1 3.73Å; I253-L280 HydrophobicContact CG2-CD2 4.47Å; I253-Y285 HydrophobicContact CG2-CD2 3.59Å; I253-Y285 HydrophobicContact CG2-CE2 3.46Å; I253-Y285 VanDerWaalsContact CG2-CE2 3.46Å; I253-Y285 HydrophobicContact CG2-CG 4.43Å; I253-V311 HydrophobicContact CD1-CG1 4.31Å; I253-V311 HydrophobicContact CD1-CG2 4.01Å; I253-V311 HydrophobicContact CG1-CG2 3.8Å; I253-V311 HydrophobicContact CG2-CG2 3.97Å
254L86.9Confident89.8Confident0 Ų024.9 Ų24.90%011%0.113CC..Hα-helixtrans-60.3-36.9175.6-76.2167.7000113I250 L251 E256 L280 L283 F372 L417 T420 V422I250-L254 HydrophobicContact CG2-CD1 4Å; I250-L254 HydrophobicContact CG2-CG 4.48Å; I250-L254 WeakPolarHBondContact O-CB 3.39Å; I250-L254 VanDerWaalsContact O-CG 3.25Å; I250-L254 WeakPolarHBondContact O-CG 3.47Å; I250-L254 PolarHBondContact O-N 3.18Å; L251-L254 HydrophobicContact CD2-CD1 4.02Å; L251-L254 PolarHBondContact O-N 3.46Å; L254-E256 PolarHBondContact O-N 3.05Å; L254-L280 HydrophobicContact CD1-CD2 4.5Å; L254-L280 HydrophobicContact CD2-CD2 3.69Å; L254-L280 HydrophobicContact CG-CD2 3.73Å; L254-L283 HydrophobicContact CD2-CD1 3.4Å; L254-L283 VanDerWaalsContact CD2-CD1 3.4Å; L254-F372 HydrophobicContact CD1-CE1 3.58Å; L254-F372 HydrophobicContact CD1-CZ 3.71Å; L254-F372 HydrophobicContact CD2-CE1 3.87Å; L254-F372 HydrophobicContact CD2-CZ 3.81Å; L254-F372 HydrophobicContact CG-CE1 4.39Å; L254-F372 HydrophobicContact CG-CZ 4.33Å; L254-L417 HydrophobicContact CB-CD1 4.1Å; L254-L417 HydrophobicContact CD2-CD1 4.33Å; L254-T420 VanDerWaalsContact O-CG2 3.28Å; L254-T420 WeakPolarHBondContact O-CG2 3.45Å; L254-V422 HydrophobicContact CD2-CG1 4.41Å
255L87.3Confident90.5Very high13 Ų1322.6 Ų22.67%0.06811%0.105CC..THydrogen-bonded Turntrans-82.415.4174.2-66.9-175.6000113.6L251 C252 I253 Q257 I351 F413 E416 L417L251-L255 WeakPolarHBondContact O-CG 3.28Å; L251-L255 PolarHBondContact O-N 3.49Å; C252-L255 CarbonylContact O-C 3.6Å; C252-L255 PolarHBondContact O-N 3.39Å; I253-L255 VanDerWaalsContact C-N 3.28Å; I253-L255 PolarHBondContact O-N 3.22Å; L255-Q257 HydrophobicContact CB-CG 4.18Å; L255-Q257 PolarHBondContact O-N 3.27Å; L255-Q257 PolarHBondContact O-NE2 3.25Å; L255-I351 HydrophobicContact CD1-CD1 3.31Å; L255-F413 HydrophobicContact CD1-CD2 3.94Å; L255-F413 HydrophobicContact CD1-CE2 4.2Å; L255-F413 HydrophobicContact CD2-CD2 3.91Å; L255-F413 HydrophobicContact CD2-CE2 3.87Å; L255-F413 HydrophobicContact CG-CD2 4.04Å; L255-F413 HydrophobicContact CG-CE2 3.86Å; L255-E416 HydrophobicContact CD2-CB 3.75Å; L255-L417 HydrophobicContact CD2-CB 4.41Å
256E90.9Very high90.8Very high38 Ų3824.1 Ų24.118%0.17811%0.107CC..THydrogen-bonded Turntrans5639.1174.6-54.5-175.415800112.2C252 I253 L254 F287 P309 T420 Q421 V422C252-E256 PolarHBondContact O-N 2.96Å; I253-E256 PolarHBondContact O-N 2.84Å; L254-E256 PolarHBondContact O-N 3.05Å; E256-F287 HydrophobicContact CB-CE2 4.1Å; E256-F287 HydrophobicContact CG-CE2 3.7Å; E256-F287 HydrophobicContact CG-CZ 4.33Å; E256-F287 WeakPolarHBondContact OE1-CE2 3.43Å; E256-P309 HydrophobicContact CB-CB 4.13Å; E256-P309 HydrophobicContact CB-CG 3.76Å; E256-P309 VanDerWaalsContact O-CB 3.23Å; E256-P309 WeakPolarHBondContact O-CB 3.38Å; E256-P309 WeakPolarHBondContact O-CG 3.44Å; E256-T420 HydrophobicContact CG-CG2 3.97Å; E256-T420 WeakPolarHBondContact OE1-CB 3.26Å; E256-Q421 VanDerWaalsContact OE1-CA 3.28Å; E256-Q421 WeakPolarHBondContact OE1-CA 3.32Å; E256-Q421 VanDerWaalsContact OE1-CB 3.23Å; E256-Q421 WeakPolarHBondContact OE1-CB 3.16Å; E256-Q421 PolarHBondContact OE1-N 2.78Å; E256-V422 HydrophobicContact CG-CG2 4.22Å; E256-V422 PolarHBondContact OE1-N 3.03Å
257Q89Confident91.1Very high53 Ų5325.9 Ų25.925%0.24812%0.116CC..  trans-82.1159.1174.3-56.7-63.7-61.600111C252 L255 V259 V332C252-Q257 HydrophobicContact CB-CB 4.31Å; C252-Q257 HydrophobicContact CB-CG 4.43Å; C252-Q257 VanDerWaalsContact O-CB 3.28Å; C252-Q257 WeakPolarHBondContact O-CB 3.28Å; C252-Q257 VanDerWaalsContact O-CG 3.29Å; C252-Q257 WeakPolarHBondContact O-CG 3.39Å; C252-Q257 PolarHBondContact O-N 2.88Å; L255-Q257 HydrophobicContact CB-CG 4.18Å; L255-Q257 PolarHBondContact O-N 3.27Å; L255-Q257 PolarHBondContact O-NE2 3.25Å; Q257-V259 PolarHBondContact O-N 3.49Å; Q257-V332 HydrophobicContact CB-CG2 4.36Å
258K92.4Very high91.6Very high20 Ų2025.9 Ų25.99%0.08712%0.118CC..EExtended strand (participates in β ladder)trans-80.3114.3171.6-62.8174.2-1741770108.7A306 F310 D330 I331 V332K258-A306 WeakPolarHBondContact CE-O 3.42Å; K258-A306 PolarHBondContact NZ-O 3.47Å; K258-F310 HydrophobicContact CB-CD1 4.41Å; K258-F310 HydrophobicContact CB-CD2 4.32Å; K258-F310 HydrophobicContact CB-CE1 4Å; K258-F310 HydrophobicContact CB-CE2 3.89Å; K258-F310 HydrophobicContact CB-CZ 3.72Å; K258-F310 HydrophobicContact CD-CD1 4.34Å; K258-F310 HydrophobicContact CD-CE1 3.61Å; K258-F310 HydrophobicContact CD-CZ 3.91Å; K258-F310 HydrophobicContact CG-CD1 3.99Å; K258-F310 HydrophobicContact CG-CE1 3.68Å; K258-F310 HydrophobicContact CG-CE2 4.46Å; K258-F310 HydrophobicContact CG-CZ 3.94Å; K258-D330 WeakPolarHBondContact CD-OD2 3.48Å; K258-D330 VanDerWaalsContact CE-OD2 3.25Å; K258-D330 WeakPolarHBondContact CE-OD2 3.24Å; K258-D330 IonicContact NZ-OD1 3.16Å; K258-D330 IonicContact NZ-OD2 3.01Å; K258-D330 PolarHBondContact NZ-OD2 2.8Å; K258-I331 HydrophobicContact CB-CG1 4.05Å; K258-I331 HydrophobicContact CD-CG1 4.31Å; K258-I331 WeakPolarHBondContact O-CA 3.28Å; K258-V332 PolarHBondContact O-N 2.8Å
259V94.6Very high92.1Very high0 Ų025.3 Ų25.30%012%0.115CC..EExtended strand (participates in β ladder)trans-115124.8-177.4-177.80000109.6V249 C252 I253 Q257 M261 F310 V311 I312 V332 V334V249-V259 HydrophobicContact CG1-CG1 4.5Å; C252-V259 HydrophobicContact CB-CG2 4.12Å; I253-V259 HydrophobicContact CG1-CB 4.43Å; I253-V259 HydrophobicContact CG1-CG2 3.87Å; Q257-V259 PolarHBondContact O-N 3.49Å; V259-M261 HydrophobicContact CG1-CE 4.06Å; V259-M261 HydrophobicContact CG1-CG 4.37Å; V259-F310 PolarHBondContact N-O 3.37Å; V259-V311 HydrophobicContact CB-CG1 4.46Å; V259-V311 HydrophobicContact CB-CG2 4.46Å; V259-V311 WeakPolarHBondContact O-CA 3.07Å; V259-I312 PolarHBondContact O-N 3.44Å; V259-V332 WeakPolarHBondContact CA-O 3.38Å; V259-V332 HydrophobicContact CG2-CB 4.37Å; V259-V334 HydrophobicContact CG1-CG2 3.98Å
260V95.3Very high92.4Very high0 Ų025.3 Ų25.30%012%0.115CC..EExtended strand (participates in β ladder)trans-114.5123.4172.4177.20000108.9L304 F310 I312 V314 F319 I331 V332 L333 V334V260-L304 HydrophobicContact CG2-CD2 3.86Å; V260-F310 HydrophobicContact CG2-CE2 3.83Å; V260-I312 CarbonylContact C-O 3.49Å; V260-I312 VanDerWaalsContact CA-O 3.25Å; V260-I312 WeakPolarHBondContact CA-O 3.28Å; V260-V314 HydrophobicContact CG1-CG1 4.34Å; V260-V314 HydrophobicContact CG1-CG2 3.76Å; V260-F319 HydrophobicContact CG1-CZ 4.25Å; V260-I331 HydrophobicContact CB-CG2 3.93Å; V260-I331 HydrophobicContact CG2-CG2 3.54Å; V260-V332 PolarHBondContact N-O 2.94Å; V260-L333 HydrophobicContact CB-CD1 4.17Å; V260-L333 HydrophobicContact CG1-CD1 3.97Å; V260-L333 CarbonylContact O-C 3.52Å; V260-L333 WeakPolarHBondContact O-CA 3.36Å; V260-V334 PolarHBondContact O-N 2.99Å
261M96.9Very high92.6Very high0 Ų025.4 Ų25.40%012%0.115CC..EExtended strand (participates in β ladder)trans-103.9135.2173.3-54.9-170.7-174.700109.8V249 V259 V269 C272 V273 S276 V311 I312 G313 V314 V334 L336V249-M261 HydrophobicContact CG1-CE 3.37Å; V259-M261 HydrophobicContact CG1-CE 4.06Å; V259-M261 HydrophobicContact CG1-CG 4.37Å; M261-V269 HydrophobicContact CB-CG2 3.86Å; M261-V269 VanDerWaalsContact O-CG2 3.3Å; M261-V269 WeakPolarHBondContact O-CG2 3.37Å; M261-C272 HydrophobicContact SD-CB 4.1Å; M261-V273 HydrophobicContact CB-CG2 4.2Å; M261-V273 HydrophobicContact CG-CG2 4.14Å; M261-V273 HydrophobicContact SD-CG2 3.75Å; M261-S276 WeakPolarHBondContact CE-OG 3.43Å; M261-V311 HydrophobicContact CE-CG1 4.23Å; M261-I312 PolarHBondContact N-O 2.98Å; M261-G313 CarbonylContact O-C 3.53Å; M261-G313 VanDerWaalsContact O-CA 3.31Å; M261-G313 WeakPolarHBondContact O-CA 3.27Å; M261-V314 PolarHBondContact O-N 2.83Å; M261-V334 CarbonylContact C-O 3.42Å; M261-V334 WeakPolarHBondContact CA-O 3.25Å; M261-V334 HydrophobicContact CB-CB 4.46Å; M261-V334 HydrophobicContact CG-CB 4.07Å; M261-V334 HydrophobicContact CG-CG1 4.49Å; M261-V334 HydrophobicContact CG-CG2 4.44Å; M261-L336 HydrophobicContact CB-CD1 4.5Å
262Q95.1Very high93.2Very high31 Ų3125.2 Ų25.215%0.14511%0.114CC..EExtended strand (participates in β ladder)trans-124.4147.6174.868.9168.133.500112.2V314 L333 V334 D335 L336Q262-V314 VanDerWaalsContact CA-O 3.31Å; Q262-V314 WeakPolarHBondContact CA-O 3.47Å; Q262-V314 HydrophobicContact CB-CG2 3.84Å; Q262-L333 HydrophobicContact CG-CD1 4.41Å; Q262-V334 PolarHBondContact N-O 2.96Å; Q262-D335 HydrophobicContact CG-CB 4.13Å; Q262-D335 VanDerWaalsContact NE2-CG 3.26Å; Q262-D335 PolarHBondContact NE2-OD1 3.08Å; Q262-D335 VanDerWaalsContact NE2-OD1 3.08Å; Q262-L336 WeakPolarHBondContact O-CB 3.45Å; Q262-L336 PolarHBondContact O-N 3.45Å
263S95.3Very high93.6Very high3 Ų325 Ų252%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-158.5156.1169.4-176.60000110.8D265 V314 P315 A316 D337S263-D265 PolarHBondContact OG-N 3.23Å; S263-V314 PolarHBondContact N-O 3.2Å; S263-P315 CarbonylContact O-C 3.59Å; S263-A316 PolarHBondContact O-N 3.49Å; S263-D337 WeakPolarHBondContact CA-OD1 3.19Å; S263-D337 WeakPolarHBondContact CB-OD1 3.41Å; S263-D337 PolarHBondContact OG-OD1 2.92Å
264R91.9Very high93.7Very high194 Ų19426 Ų2673%0.73212%0.118SC*.SBendtrans-70.2-21.4164.5-74.1173.2-69.1173.72.4112.8A316 D337R264-A316 HydrophobicContact CG-CB 3.66Å; R264-D337 WeakPolarHBondContact CB-OD2 3.38Å; R264-D337 WeakPolarHBondContact CG-OD2 3.36Å; R264-D337 IonicContact CZ-OD2 3.71Å; R264-D337 PolarHBondContact N-OD1 3.48Å; R264-D337 PolarHBondContact N-OD2 3.16Å; R264-D337 IonicContact NE-OD2 2.72Å; R264-D337 PolarHBondContact NE-OD2 3.25Å; R264-D337 IonicContact NH2-OD2 2.79Å
265D94Very high93.9Very high82 Ų8226 Ų2644%0.43912%0.118SC..  trans-96.9111.3175.2-177.4-4.2000110.9S263 N267 A268 V269S263-D265 PolarHBondContact OG-N 3.23Å; D265-N267 PolarHBondContact O-N 3.42Å; D265-N267 VanDerWaalsContact OD1-CB 3.29Å; D265-N267 WeakPolarHBondContact OD1-CB 3.34Å; D265-N267 PolarHBondContact OD1-N 2.94Å; D265-A268 HydrophobicContact CB-CB 3.82Å; D265-A268 PolarHBondContact O-N 2.83Å; D265-A268 PolarHBondContact OD1-N 3.44Å; D265-V269 PolarHBondContact O-N 3.28Å; D265-V269 VanDerWaalsContact O-N 3.1Å
266Y94.2Very high94.2Very high44 Ų4425.4 Ų25.417%0.17312%0.115CC..Hα-helixtrans-61.1-32.8178.4-55.9-18.8000112.8P63 D64 F82 V269 S270 L292 P315P63-Y266 HydrophobicContact CB-CE2 4.34Å; P63-Y266 HydrophobicContact CG-CD2 4.16Å; P63-Y266 HydrophobicContact CG-CE2 3.99Å; D64-Y266 PolarHBondContact OD2-OH 2.95Å; F82-Y266 AromaticContact CD1-CD2 3.83Å; F82-Y266 HydrophobicContact CD1-CD2 3.83Å; F82-Y266 HydrophobicContact CD1-CG 4.45Å; F82-Y266 AromaticContact CE1-CD2 3.8Å; F82-Y266 HydrophobicContact CE1-CD2 3.8Å; F82-Y266 HydrophobicContact CG-CD2 4.32Å; F82-Y266 HydrophobicContact CZ-CD2 4.26Å; Y266-V269 WeakPolarHBondContact O-CG1 3.39Å; Y266-S270 VanDerWaalsContact O-CB 3.32Å; Y266-S270 WeakPolarHBondContact O-CB 3.37Å; Y266-S270 PolarHBondContact O-N 3.42Å; Y266-S270 VanDerWaalsContact O-N 3.16Å; Y266-S270 PolarHBondContact O-OG 3.28Å; Y266-L292 HydrophobicContact CG-CD2 4.29Å; Y266-P315 HydrophobicContact CD1-CB 4.26Å; Y266-P315 HydrophobicContact CD1-CG 4.12Å; Y266-P315 HydrophobicContact CE1-CB 3.77Å; Y266-P315 HydrophobicContact CE1-CG 3.85Å
267N94Very high94.3Very high37 Ų3725.4 Ų25.420%0.19812%0.115CC..Hα-helixtrans-71.1-46.2179.1-167.744.8000110.3S81 F82 R138 D265 S270 I271S81-N267 VanDerWaalsContact O-CB 3.23Å; S81-N267 WeakPolarHBondContact O-CB 3.15Å; S81-N267 VanDerWaalsContact O-CG 3.31Å; S81-N267 PolarHBondContact O-OD1 3.11Å; F82-N267 HydrophobicContact CB-CB 4.24Å; R138-N267 PolarHBondContact NH2-OD1 3.26Å; D265-N267 PolarHBondContact O-N 3.42Å; D265-N267 VanDerWaalsContact OD1-CB 3.29Å; D265-N267 WeakPolarHBondContact OD1-CB 3.34Å; D265-N267 PolarHBondContact OD1-N 2.94Å; N267-S270 PolarHBondContact O-N 3.48Å; N267-S270 PolarHBondContact O-OG 3.14Å; N267-S270 VanDerWaalsContact O-OG 3.05Å; N267-I271 WeakPolarHBondContact O-CB 3.36Å; N267-I271 VanDerWaalsContact O-CG1 3.29Å; N267-I271 WeakPolarHBondContact O-CG1 3.3Å; N267-I271 PolarHBondContact O-N 3.5Å; N267-I271 WeakPolarHBondContact OD1-CD1 2.89Å
268A95Very high94.2Very high8 Ų824.1 Ų24.17%0.06611%0.108CC..Hα-helixtrans-58.8-51.8178.100000111.6L240 D265 S270 I271 C272L240-A268 HydrophobicContact CD1-CB 3.99Å; D265-A268 HydrophobicContact CB-CB 3.82Å; D265-A268 PolarHBondContact O-N 2.83Å; D265-A268 PolarHBondContact OD1-N 3.44Å; A268-S270 PolarHBondContact O-N 3.11Å; A268-I271 PolarHBondContact O-N 3.25Å; A268-C272 WeakPolarHBondContact O-CB 3.26Å; A268-C272 PolarHBondContact O-N 3.38Å; A268-C272 PolarHBondContact O-SG 3.46Å
269V96.6Very high93.9Very high0 Ų023.1 Ų23.10%010%0.104CC..Hα-helixtrans-62.8-43.2-179.569.60000112.4M261 D265 Y266 C272 V273 L292 L336M261-V269 HydrophobicContact CB-CG2 3.86Å; M261-V269 VanDerWaalsContact O-CG2 3.3Å; M261-V269 WeakPolarHBondContact O-CG2 3.37Å; D265-V269 PolarHBondContact O-N 3.28Å; D265-V269 VanDerWaalsContact O-N 3.1Å; Y266-V269 WeakPolarHBondContact O-CG1 3.39Å; V269-C272 PolarHBondContact O-N 2.93Å; V269-V273 WeakPolarHBondContact O-CG2 3.47Å; V269-V273 PolarHBondContact O-N 2.97Å; V269-L292 HydrophobicContact CG1-CD1 3.67Å; V269-L336 HydrophobicContact CB-CD1 4.06Å; V269-L336 HydrophobicContact CG2-CD1 4.17Å
270S96.4Very high93.4Very high0 Ų023.1 Ų23.10%010%0.104CC..Hα-helixtrans-66.1-41.3-18056.40000112.6I83 Y266 N267 A268 L274 P291I83-S270 WeakPolarHBondContact O-CB 3.39Å; I83-S270 PolarHBondContact O-OG 2.85Å; Y266-S270 VanDerWaalsContact O-CB 3.32Å; Y266-S270 WeakPolarHBondContact O-CB 3.37Å; Y266-S270 PolarHBondContact O-N 3.42Å; Y266-S270 VanDerWaalsContact O-N 3.16Å; Y266-S270 PolarHBondContact O-OG 3.28Å; N267-S270 PolarHBondContact O-N 3.48Å; N267-S270 PolarHBondContact O-OG 3.14Å; N267-S270 VanDerWaalsContact O-OG 3.05Å; A268-S270 PolarHBondContact O-N 3.11Å; S270-L274 WeakPolarHBondContact O-CG 2.97Å; S270-L274 PolarHBondContact O-N 2.9Å; S270-L274 VanDerWaalsContact O-N 3.16Å; S270-P291 WeakPolarHBondContact CA-O 3.32Å
271I94.1Very high92.4Very high3 Ų325.6 Ų25.62%0.01511%0.114CC..Hα-helixtrans-67.6-42.8175.7-69.4168.4000111I83 F232 P233 L236 N267 A268 V273 L274 A275I83-I271 HydrophobicContact CD1-CG1 4.27Å; F232-I271 HydrophobicContact CB-CG1 4.36Å; F232-I271 HydrophobicContact CB-CG2 4.24Å; F232-I271 HydrophobicContact CD2-CG2 4.11Å; P233-I271 HydrophobicContact CG-CD1 4.33Å; P233-I271 HydrophobicContact CG-CG2 4.18Å; L236-I271 HydrophobicContact CB-CG2 4.36Å; L236-I271 HydrophobicContact CD2-CB 4.06Å; L236-I271 HydrophobicContact CD2-CD1 4.38Å; L236-I271 HydrophobicContact CD2-CG2 3.82Å; N267-I271 WeakPolarHBondContact O-CB 3.36Å; N267-I271 VanDerWaalsContact O-CG1 3.29Å; N267-I271 WeakPolarHBondContact O-CG1 3.3Å; N267-I271 PolarHBondContact O-N 3.5Å; N267-I271 WeakPolarHBondContact OD1-CD1 2.89Å; A268-I271 PolarHBondContact O-N 3.25Å; I271-V273 VanDerWaalsContact C-N 3.33Å; I271-V273 PolarHBondContact O-N 2.97Å; I271-L274 PolarHBondContact O-N 3.43Å; I271-A275 VanDerWaalsContact O-CB 3.24Å; I271-A275 WeakPolarHBondContact O-CB 3.28Å; I271-A275 PolarHBondContact O-N 3.11Å
272C96.6Very high90.9Very high0 Ų026.9 Ų26.90%012%0.122CC..Hα-helixtrans-62.7-38.5179.2-75.40000112.6L237 M261 A268 V269 S276 L336L237-C272 HydrophobicContact CD1-CB 4.02Å; M261-C272 HydrophobicContact SD-CB 4.1Å; A268-C272 WeakPolarHBondContact O-CB 3.26Å; A268-C272 PolarHBondContact O-N 3.38Å; A268-C272 PolarHBondContact O-SG 3.46Å; V269-C272 PolarHBondContact O-N 2.93Å; C272-S276 WeakPolarHBondContact O-CB 3.49Å; C272-S276 PolarHBondContact O-N 2.88Å; C272-S276 PolarHBondContact O-OG 3.41Å; C272-L336 HydrophobicContact CB-CD1 3.88Å; C272-L336 HydrophobicContact CB-CD2 4.32Å
273V97.3Very high90Very high0 Ų025.8 Ų25.80%012%0.117CC..Hα-helixtrans-61.5-50.3172.4170.10000110.4M261 V269 I271 A275 S276 I277 V289 V311M261-V273 HydrophobicContact CB-CG2 4.2Å; M261-V273 HydrophobicContact CG-CG2 4.14Å; M261-V273 HydrophobicContact SD-CG2 3.75Å; V269-V273 WeakPolarHBondContact O-CG2 3.47Å; V269-V273 PolarHBondContact O-N 2.97Å; I271-V273 VanDerWaalsContact C-N 3.33Å; I271-V273 PolarHBondContact O-N 2.97Å; V273-A275 PolarHBondContact O-N 2.99Å; V273-S276 PolarHBondContact O-N 3.45Å; V273-I277 WeakPolarHBondContact O-CG1 3.37Å; V273-I277 PolarHBondContact O-N 3.01Å; V273-V289 HydrophobicContact CG1-CG1 3.71Å; V273-V311 HydrophobicContact CG1-CG1 3.96Å; V273-V311 HydrophobicContact CG2-CG1 4.45Å
274L93.5Very high89.1Confident20 Ų2029 Ų2911%0.10513%0.132CC..Hα-helixtrans-63.4-41.2179.6-68.7173.8000112.5I83 Y96 F134 F232 S270 I271 I277 Y278 P291I83-L274 HydrophobicContact CG2-CD1 4.21Å; Y96-L274 HydrophobicContact CE1-CD2 4.44Å; F134-L274 HydrophobicContact CE2-CD1 3.92Å; F134-L274 HydrophobicContact CZ-CD1 4.3Å; F232-L274 HydrophobicContact CE1-CB 4.33Å; F232-L274 HydrophobicContact CE2-CB 4.23Å; F232-L274 HydrophobicContact CZ-CB 4.01Å; S270-L274 WeakPolarHBondContact O-CG 2.97Å; S270-L274 PolarHBondContact O-N 2.9Å; S270-L274 VanDerWaalsContact O-N 3.16Å; I271-L274 PolarHBondContact O-N 3.43Å; L274-I277 PolarHBondContact O-N 3.35Å; L274-Y278 WeakPolarHBondContact O-CB 3.26Å; L274-Y278 PolarHBondContact O-N 3.45Å; L274-P291 HydrophobicContact CD1-CG 4.49Å; L274-P291 HydrophobicContact CD2-CB 4.49Å; L274-P291 HydrophobicContact CD2-CG 3.73Å; L274-P291 HydrophobicContact CG-CB 4.25Å; L274-P291 HydrophobicContact CG-CG 4.02Å
275A92.2Very high88.8Confident0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-63.5-42.3177.400000112F232 I234 L237 I271 V273 I277 Y278 L279F232-A275 HydrophobicContact CE2-CB 4.08Å; I234-A275 HydrophobicContact CG2-CB 4.41Å; L237-A275 HydrophobicContact CB-CB 4.38Å; I271-A275 VanDerWaalsContact O-CB 3.24Å; I271-A275 WeakPolarHBondContact O-CB 3.28Å; I271-A275 PolarHBondContact O-N 3.11Å; V273-A275 PolarHBondContact O-N 2.99Å; A275-I277 VanDerWaalsContact C-N 3.3Å; A275-I277 PolarHBondContact O-N 3.44Å; A275-Y278 PolarHBondContact O-N 2.91Å; A275-L279 WeakPolarHBondContact O-CB 3.39Å; A275-L279 WeakPolarHBondContact O-CD1 3.08Å; A275-L279 VanDerWaalsContact O-CG 3.23Å; A275-L279 WeakPolarHBondContact O-CG 3.39Å; A275-L279 PolarHBondContact O-N 3.41Å
276S93.8Very high88.2Confident0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-61.3-40.3178.1-58.80000112L237 M261 C272 V273 L280L237-S276 VanDerWaalsContact CD2-OG 3.31Å; L237-S276 WeakPolarHBondContact CD2-OG 3.41Å; M261-S276 WeakPolarHBondContact CE-OG 3.43Å; C272-S276 WeakPolarHBondContact O-CB 3.49Å; C272-S276 PolarHBondContact O-N 2.88Å; C272-S276 PolarHBondContact O-OG 3.41Å; V273-S276 PolarHBondContact O-N 3.45Å; S276-L280 WeakPolarHBondContact O-CG 3.49Å
277I91.9Very high88Confident38 Ų3819.9 Ų19.920%0.19510%0.097CC..Hα-helixtrans-71.5-41.7175.8-60.2-57.9000111.3I253 V273 L274 A275 L279 L280 Y285 V289 V311I253-I277 HydrophobicContact CG2-CD1 4.09Å; V273-I277 WeakPolarHBondContact O-CG1 3.37Å; V273-I277 PolarHBondContact O-N 3.01Å; L274-I277 PolarHBondContact O-N 3.35Å; A275-I277 VanDerWaalsContact C-N 3.3Å; A275-I277 PolarHBondContact O-N 3.44Å; I277-L279 VanDerWaalsContact C-N 3.29Å; I277-L279 PolarHBondContact O-N 3.49Å; I277-L280 HydrophobicContact CD1-CD1 4.16Å; I277-L280 VanDerWaalsContact O-CB 3.31Å; I277-L280 WeakPolarHBondContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CG 3.49Å; I277-L280 PolarHBondContact O-N 2.99Å; I277-L280 VanDerWaalsContact O-N 3.12Å; I277-Y285 HydrophobicContact CD1-CD1 3.78Å; I277-Y285 HydrophobicContact CD1-CD2 4.41Å; I277-Y285 HydrophobicContact CD1-CE1 4.28Å; I277-Y285 HydrophobicContact CD1-CG 3.83Å; I277-V289 HydrophobicContact CD1-CG2 3.91Å; I277-V289 HydrophobicContact CG1-CG1 3.97Å; I277-V289 HydrophobicContact CG1-CG2 3.95Å; I277-V311 HydrophobicContact CD1-CB 4.34Å; I277-V311 HydrophobicContact CD1-CG2 3.94Å
278Y86.5Confident87.9Confident26 Ų2621.3 Ų21.310%0.10211%0.108CC..Hα-helixtrans-62.8-36.7-179.8-173.6-92.7000112.6S228 A230 F232 I234 L274 A275 L280 Y281 L365S228-Y278 VanDerWaalsContact O-CE2 3.29Å; S228-Y278 WeakPolarHBondContact O-CE2 3.34Å; S228-Y278 PolarHBondContact O-OH 3.42Å; S228-Y278 WeakPolarHBondContact OG-CE2 3.28Å; A230-Y278 HydrophobicContact CB-CD1 4.19Å; A230-Y278 HydrophobicContact CB-CD2 3.87Å; A230-Y278 HydrophobicContact CB-CE1 3.86Å; A230-Y278 HydrophobicContact CB-CE2 3.49Å; A230-Y278 VanDerWaalsContact CB-CE2 3.49Å; A230-Y278 HydrophobicContact CB-CG 4.19Å; A230-Y278 VanDerWaalsContact CB-CZ 3.49Å; F232-Y278 HydrophobicContact CZ-CD2 4.41Å; F232-Y278 HydrophobicContact CZ-CG 4.24Å; I234-Y278 HydrophobicContact CD1-CD1 3.45Å; I234-Y278 VanDerWaalsContact CD1-CD1 3.45Å; I234-Y278 HydrophobicContact CD1-CE1 3.34Å; I234-Y278 HydrophobicContact CD1-CG 4.49Å; I234-Y278 HydrophobicContact CG1-CD1 4Å; I234-Y278 HydrophobicContact CG1-CE1 4.36Å; L274-Y278 WeakPolarHBondContact O-CB 3.26Å; L274-Y278 PolarHBondContact O-N 3.45Å; A275-Y278 PolarHBondContact O-N 2.91Å; Y278-L280 PolarHBondContact O-N 2.86Å; Y278-Y281 PolarHBondContact O-N 3.13Å; Y278-L365 HydrophobicContact CD1-CD1 4.19Å; Y278-L365 HydrophobicContact CE1-CD1 4.02Å; Y278-L365 HydrophobicContact CE1-CD2 3.87Å
279L86.3Confident87.8Confident0 Ų022.5 Ų22.50%011%0.114CC..THydrogen-bonded Turntrans-66.8-15.4176.9-73162.7000113.6I234 L237 F238 I250 A275 I277 Y281 L365 V368I234-L279 HydrophobicContact CG2-CD1 4.02Å; I234-L279 HydrophobicContact CG2-CD2 3.66Å; I234-L279 HydrophobicContact CG2-CG 3.78Å; L237-L279 HydrophobicContact CD2-CD1 3.86Å; F238-L279 HydrophobicContact CE2-CD1 3.51Å; F238-L279 HydrophobicContact CE2-CD2 4.28Å; F238-L279 HydrophobicContact CZ-CD1 3.88Å; I250-L279 HydrophobicContact CD1-CB 4.19Å; I250-L279 HydrophobicContact CD1-CD1 3.87Å; A275-L279 WeakPolarHBondContact O-CB 3.39Å; A275-L279 WeakPolarHBondContact O-CD1 3.08Å; A275-L279 VanDerWaalsContact O-CG 3.23Å; A275-L279 WeakPolarHBondContact O-CG 3.39Å; A275-L279 PolarHBondContact O-N 3.41Å; I277-L279 VanDerWaalsContact C-N 3.29Å; I277-L279 PolarHBondContact O-N 3.49Å; L279-Y281 PolarHBondContact O-N 2.97Å; L279-L365 HydrophobicContact CD2-CB 4.31Å; L279-L365 HydrophobicContact CD2-CD1 4.04Å; L279-V368 HydrophobicContact CD2-CG2 4.2Å; L279-V368 WeakPolarHBondContact O-CG1 3.2Å
280L84.3Confident87.8Confident0 Ų023.8 Ų23.80%012%0.121CC..THydrogen-bonded Turntrans-70.3-11.6176.8-59.2174.6000113I250 I253 L254 S276 I277 Y278 L283 Y285I250-L280 HydrophobicContact CG2-CD2 3.98Å; I253-L280 HydrophobicContact CG2-CD1 3.73Å; I253-L280 HydrophobicContact CG2-CD2 4.47Å; L254-L280 HydrophobicContact CD1-CD2 4.5Å; L254-L280 HydrophobicContact CD2-CD2 3.69Å; L254-L280 HydrophobicContact CG-CD2 3.73Å; S276-L280 WeakPolarHBondContact O-CG 3.49Å; I277-L280 HydrophobicContact CD1-CD1 4.16Å; I277-L280 VanDerWaalsContact O-CB 3.31Å; I277-L280 WeakPolarHBondContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CG 3.49Å; I277-L280 PolarHBondContact O-N 2.99Å; I277-L280 VanDerWaalsContact O-N 3.12Å; Y278-L280 PolarHBondContact O-N 2.86Å; L280-L283 HydrophobicContact CB-CB 4.29Å; L280-L283 WeakPolarHBondContact O-CA 3.46Å; L280-L283 WeakPolarHBondContact O-CB 3.4Å; L280-L283 PolarHBondContact O-N 2.65Å; L280-Y285 HydrophobicContact CD1-CD2 4.15Å; L280-Y285 HydrophobicContact CD1-CG 4.32Å
281Y73.6Confident87.8Confident51 Ų5123.9 Ų23.920%0.212%0.122CC..THydrogen-bonded Turntrans-43.9124.8179.4-179.3-87.3000111.4F227 Y278 L279 V369 W435F227-Y281 AromaticContact CD1-CD1 3.8Å; F227-Y281 HydrophobicContact CD1-CD1 3.8Å; F227-Y281 AromaticContact CD1-CD2 4Å; F227-Y281 HydrophobicContact CD1-CD2 4Å; F227-Y281 AromaticContact CD1-CE1 3.69Å; F227-Y281 HydrophobicContact CD1-CE1 3.69Å; F227-Y281 AromaticContact CD1-CE2 3.92Å; F227-Y281 HydrophobicContact CD1-CE2 3.92Å; F227-Y281 AromaticContact CD1-CG 3.93Å; F227-Y281 HydrophobicContact CD1-CG 3.93Å; F227-Y281 AromaticContact CD1-CZ 3.75Å; F227-Y281 AromaticContact CE1-CD1 3.2Å; F227-Y281 HydrophobicContact CE1-CD1 3.2Å; F227-Y281 HydrophobicContact CE1-CD2 4.25Å; F227-Y281 AromaticContact CE1-CE1 3.03Å; F227-Y281 HydrophobicContact CE1-CE1 3.03Å; F227-Y281 HydrophobicContact CE1-CE2 4.14Å; F227-Y281 AromaticContact CE1-CG 3.81Å; F227-Y281 HydrophobicContact CE1-CG 3.81Å; F227-Y281 AromaticContact CE1-CZ 3.56Å; F227-Y281 HydrophobicContact CZ-CD1 4.11Å; F227-Y281 AromaticContact CZ-CE1 3.58Å; F227-Y281 HydrophobicContact CZ-CE1 3.58Å; Y278-Y281 PolarHBondContact O-N 3.13Å; L279-Y281 PolarHBondContact O-N 2.97Å; Y281-V369 HydrophobicContact CD1-CG2 4.2Å; Y281-W435 AromaticContact CD1-CH2 3.98Å; Y281-W435 HydrophobicContact CD1-CH2 3.98Å; Y281-W435 AromaticContact CD1-CZ2 3.61Å; Y281-W435 HydrophobicContact CD1-CZ2 3.61Å; Y281-W435 HydrophobicContact CE1-CH2 4.01Å; Y281-W435 AromaticContact CE1-CZ2 3.31Å; Y281-W435 HydrophobicContact CE1-CZ2 3.31Å
282P66.6Low87.9Confident27 Ų2723.8 Ų23.818%0.17512%0.121CC..THydrogen-bonded Turncis-87.9-7.116.330.1-19.8000115E284 I426 W435P282-E284 PolarHBondContact O-N 2.87Å; P282-I426 HydrophobicContact CG-CD1 3.92Å; P282-W435 HydrophobicContact CB-CD2 4.42Å; P282-W435 HydrophobicContact CB-CH2 3.93Å; P282-W435 HydrophobicContact CB-CZ2 3.07Å; P282-W435 HydrophobicContact CG-CD2 4Å; P282-W435 HydrophobicContact CG-CE3 4.27Å; P282-W435 HydrophobicContact CG-CH2 3.38Å; P282-W435 HydrophobicContact CG-CZ2 3.01Å; P282-W435 HydrophobicContact CG-CZ3 3.95Å
283L76.4Confident87.9Confident8 Ų823.8 Ų23.84%0.04212%0.121CC..SBendtrans-68130.7-168.5-61.2147.6000108.4L254 L280 F372 V422 I426L254-L283 HydrophobicContact CD2-CD1 3.4Å; L254-L283 VanDerWaalsContact CD2-CD1 3.4Å; L280-L283 HydrophobicContact CB-CB 4.29Å; L280-L283 WeakPolarHBondContact O-CA 3.46Å; L280-L283 WeakPolarHBondContact O-CB 3.4Å; L280-L283 PolarHBondContact O-N 2.65Å; L283-F372 HydrophobicContact CD1-CD1 3.93Å; L283-F372 HydrophobicContact CD1-CD2 4.24Å; L283-F372 HydrophobicContact CD1-CE1 3.4Å; L283-F372 VanDerWaalsContact CD1-CE1 3.4Å; L283-F372 HydrophobicContact CD1-CE2 3.74Å; L283-F372 HydrophobicContact CD1-CG 4.34Å; L283-F372 HydrophobicContact CD1-CZ 3.31Å; L283-V422 HydrophobicContact CB-CG1 3.53Å; L283-V422 HydrophobicContact CD1-CG1 4.49Å; L283-V422 HydrophobicContact CD2-CG1 3.9Å; L283-V422 HydrophobicContact CG-CG1 4.18Å; L283-I426 HydrophobicContact CB-CD1 4.48Å; L283-I426 HydrophobicContact CD2-CD1 3.04Å; L283-I426 HydrophobicContact CD2-CG1 3.69Å; L283-I426 HydrophobicContact CG-CD1 3.59Å; L283-I426 HydrophobicContact CG-CG1 4.3Å
284E76.1Confident87.7Confident71 Ų7123.8 Ų23.833%0.33212%0.121SC..PPolyproline II helixtrans-89.5117.9173.4-74.2-179.6-174.100108.9P282 L286 R425 R429P282-E284 PolarHBondContact O-N 2.87Å; E284-L286 HydrophobicContact CB-CD2 4.14Å; E284-L286 WeakPolarHBondContact O-CG 3.29Å; E284-R425 IonicContact OE2-CZ 2.76Å; E284-R425 IonicContact OE2-NE 3.99Å; E284-R425 PolarHBondContact OE2-NE 2.78Å; E284-R425 IonicContact OE2-NH2 2.66Å; E284-R425 PolarHBondContact OE2-NH2 3.43Å; E284-R429 IonicContact OE1-CZ 3.9Å; E284-R429 IonicContact OE1-NH1 2.78Å; E284-R429 PolarHBondContact OE1-NH1 2.89Å; E284-R429 IonicContact OE2-CZ 3.76Å; E284-R429 VanDerWaalsContact OE2-CZ 3.25Å; E284-R429 IonicContact OE2-NE 3.49Å; E284-R429 IonicContact OE2-NH1 3.11Å; E284-R429 PolarHBondContact OE2-NH1 3.41Å; E284-R429 IonicContact OE2-NH2 3.75Å
285Y85.8Confident87.6Confident25 Ų2522.9 Ų22.910%0.09812%0.117CC..PPolyproline II helixtrans-72.7132.8168-167.1-104.4000110.4I253 I277 L280 F287 V289 F310 V311 V422I253-Y285 HydrophobicContact CG2-CD2 3.59Å; I253-Y285 HydrophobicContact CG2-CE2 3.46Å; I253-Y285 VanDerWaalsContact CG2-CE2 3.46Å; I253-Y285 HydrophobicContact CG2-CG 4.43Å; I277-Y285 HydrophobicContact CD1-CD1 3.78Å; I277-Y285 HydrophobicContact CD1-CD2 4.41Å; I277-Y285 HydrophobicContact CD1-CE1 4.28Å; I277-Y285 HydrophobicContact CD1-CG 3.83Å; L280-Y285 HydrophobicContact CD1-CD2 4.15Å; L280-Y285 HydrophobicContact CD1-CG 4.32Å; Y285-F287 HydrophobicContact CD1-CB 4.42Å; Y285-F287 WeakPolarHBondContact CD1-O 3.45Å; Y285-F287 HydrophobicContact CD2-CD2 4.46Å; Y285-F287 HydrophobicContact CE1-CB 3.64Å; Y285-F287 HydrophobicContact CE1-CD2 4.41Å; Y285-F287 WeakPolarHBondContact CE1-O 3.33Å; Y285-F287 AromaticContact CE2-CD2 3.9Å; Y285-F287 HydrophobicContact CE2-CD2 3.9Å; Y285-F287 AromaticContact CZ-CD2 3.89Å; Y285-V289 HydrophobicContact CD1-CG2 3.46Å; Y285-V289 VanDerWaalsContact CD1-CG2 3.46Å; Y285-V289 HydrophobicContact CE1-CG2 3.71Å; Y285-F310 WeakPolarHBondContact OH-CA 3.26Å; Y285-F310 PolarHBondContact OH-N 2.96Å; Y285-V311 HydrophobicContact CE1-CG2 3.96Å; Y285-V311 HydrophobicContact CE2-CG2 4.43Å; Y285-V422 HydrophobicContact CD2-CG2 4Å
286L81.9Confident87.4Confident60 Ų6024.5 Ų24.531%0.31413%0.128SC..  trans-114.1-5.2-168.2-57.2-179.2000115.1E284 Q421 R425E284-L286 HydrophobicContact CB-CD2 4.14Å; E284-L286 WeakPolarHBondContact O-CG 3.29Å; L286-Q421 HydrophobicContact CD1-CB 4.14Å; L286-R425 HydrophobicContact CD1-CB 4.16Å; L286-R425 HydrophobicContact CD1-CG 4.41Å; L286-R425 VanDerWaalsContact CD2-CD 3.4Å
287F89.6Confident87.1Confident43 Ų4326.4 Ų26.419%0.18914%0.136CC..SBendtrans-99.2169.4-177.1-55.5-81.6000110.6E256 Y285 V289 P309 Q421E256-F287 HydrophobicContact CB-CE2 4.1Å; E256-F287 HydrophobicContact CG-CE2 3.7Å; E256-F287 HydrophobicContact CG-CZ 4.33Å; E256-F287 WeakPolarHBondContact OE1-CE2 3.43Å; Y285-F287 HydrophobicContact CD1-CB 4.42Å; Y285-F287 WeakPolarHBondContact CD1-O 3.45Å; Y285-F287 HydrophobicContact CD2-CD2 4.46Å; Y285-F287 HydrophobicContact CE1-CB 3.64Å; Y285-F287 HydrophobicContact CE1-CD2 4.41Å; Y285-F287 WeakPolarHBondContact CE1-O 3.33Å; Y285-F287 AromaticContact CE2-CD2 3.9Å; Y285-F287 HydrophobicContact CE2-CD2 3.9Å; Y285-F287 AromaticContact CZ-CD2 3.89Å; F287-V289 PolarHBondContact O-N 3.28Å; F287-P309 HydrophobicContact CB-CB 4.14Å; F287-P309 VanDerWaalsContact CB-O 3.3Å; F287-P309 WeakPolarHBondContact CB-O 3.38Å; F287-P309 HydrophobicContact CD1-CB 3.95Å; F287-P309 HydrophobicContact CD1-CG 3.88Å; F287-P309 HydrophobicContact CD2-CB 3.83Å; F287-P309 HydrophobicContact CD2-CG 4.15Å; F287-P309 HydrophobicContact CE1-CB 4.29Å; F287-P309 HydrophobicContact CE1-CG 3.73Å; F287-P309 HydrophobicContact CE2-CB 4.18Å; F287-P309 HydrophobicContact CE2-CG 4.03Å; F287-P309 HydrophobicContact CG-CB 3.7Å; F287-P309 HydrophobicContact CG-CG 4.08Å; F287-P309 HydrophobicContact CZ-CB 4.39Å; F287-P309 HydrophobicContact CZ-CG 3.8Å; F287-Q421 HydrophobicContact CZ-CB 4.34Å; F287-Q421 HydrophobicContact CZ-CG 4.28Å
288P91Very high86.8Confident68 Ų6832.1 Ų32.144%0.44216%0.159SC..  trans-53.9129.3179.9-28.437.2000112.8F310 V311P288-F310 HydrophobicContact CB-CB 4.31Å; P288-F310 WeakPolarHBondContact O-CA 3.33Å; P288-V311 PolarHBondContact O-N 3.02Å
289V94Very high86.8Confident32 Ų3231.9 Ų31.919%0.19416%0.164CC..EExtended strand (participates in β ladder)trans-119.7118.3171.2-179.30000107.6V273 I277 Y285 F287 V311V273-V289 HydrophobicContact CG1-CG1 3.71Å; I277-V289 HydrophobicContact CD1-CG2 3.91Å; I277-V289 HydrophobicContact CG1-CG1 3.97Å; I277-V289 HydrophobicContact CG1-CG2 3.95Å; Y285-V289 HydrophobicContact CD1-CG2 3.46Å; Y285-V289 VanDerWaalsContact CD1-CG2 3.46Å; Y285-V289 HydrophobicContact CE1-CG2 3.71Å; F287-V289 PolarHBondContact O-N 3.28Å; V289-V311 WeakPolarHBondContact CA-O 3.42Å
290I95.7Very high86.9Confident28 Ų2831.9 Ų31.914%0.14416%0.164CC..EExtended strand (participates in β ladder)trans-122.7100.4177.2-52.4178000107.5L292 L293 L303 V311 I312 G313I290-L292 PolarHBondContact O-N 2.6Å; I290-L293 HydrophobicContact CG2-CB 3.94Å; I290-L303 HydrophobicContact CD1-CD1 4.05Å; I290-V311 PolarHBondContact N-O 3.44Å; I290-I312 HydrophobicContact CB-CG1 4.11Å; I290-I312 HydrophobicContact CB-CG2 4.31Å; I290-I312 HydrophobicContact CD1-CD1 4.08Å; I290-I312 HydrophobicContact CD1-CG1 4.21Å; I290-I312 HydrophobicContact CG1-CG1 4.23Å; I290-I312 CarbonylContact O-C 3.59Å; I290-I312 WeakPolarHBondContact O-CA 3.46Å; I290-G313 PolarHBondContact O-N 3.43Å
291P96.5Very high87Confident1 Ų134.8 Ų34.81%0.00618%0.178CC..SBendtrans-57.4-34.9-177.4-27.135.9000113.5A85 S270 L274 G313A85-P291 HydrophobicContact CB-CG 3.9Å; S270-P291 WeakPolarHBondContact CA-O 3.32Å; L274-P291 HydrophobicContact CD1-CG 4.49Å; L274-P291 HydrophobicContact CD2-CB 4.49Å; L274-P291 HydrophobicContact CD2-CG 3.73Å; L274-P291 HydrophobicContact CG-CB 4.25Å; L274-P291 HydrophobicContact CG-CG 4.02Å; P291-G313 WeakPolarHBondContact O-CA 3.26Å
292L96.8Very high87.6Confident1 Ų139 Ų391%0.00520%0.199CC..  trans-149.4110.1177.1-172.568.8000109.6F60 P63 F82 F84 Y266 V269 I290 P294 G313 P315F60-L292 WeakPolarHBondContact CD1-O 3.49Å; F60-L292 VanDerWaalsContact CE1-O 3.26Å; F60-L292 WeakPolarHBondContact CE1-O 3.39Å; P63-L292 HydrophobicContact CG-CD2 3.78Å; F82-L292 HydrophobicContact CD2-CD2 3.5Å; F82-L292 HydrophobicContact CE2-CD2 3.7Å; F82-L292 HydrophobicContact CG-CD2 4.33Å; F84-L292 HydrophobicContact CB-CB 4.49Å; Y266-L292 HydrophobicContact CG-CD2 4.29Å; V269-L292 HydrophobicContact CG1-CD1 3.67Å; I290-L292 PolarHBondContact O-N 2.6Å; L292-P294 WeakPolarHBondContact O-CD 3.32Å; L292-G313 CarbonylContact C-O 3.51Å; L292-G313 WeakPolarHBondContact CA-O 3.43Å; L292-P315 HydrophobicContact CD1-CG 4.03Å
293L95.8Very high88.7Confident1 Ų140.6 Ų40.61%0.00521%0.206CC..  trans-94.3114.3173.9177.365.6000109.2I290 F297 A300 L303 I312 G313 V314 P315 F318I290-L293 HydrophobicContact CG2-CB 3.94Å; L293-F297 HydrophobicContact CD1-CB 4.49Å; L293-F297 HydrophobicContact CD1-CD1 4.13Å; L293-F297 HydrophobicContact CD1-CG 4.48Å; L293-A300 HydrophobicContact CD1-CB 4.3Å; L293-A300 HydrophobicContact CD2-CB 4.18Å; L293-A300 HydrophobicContact CG-CB 4.25Å; L293-L303 HydrophobicContact CD1-CD1 3.61Å; L293-L303 HydrophobicContact CD2-CB 4.41Å; L293-L303 HydrophobicContact CD2-CD1 4.24Å; L293-I312 HydrophobicContact CB-CG2 3.71Å; L293-I312 HydrophobicContact CD2-CG2 3.97Å; L293-G313 PolarHBondContact N-O 2.8Å; L293-V314 HydrophobicContact CB-CG1 4.25Å; L293-P315 VanDerWaalsContact O-CD 3.32Å; L293-P315 WeakPolarHBondContact O-CD 3.46Å; L293-F318 HydrophobicContact CD2-CE2 3.94Å; L293-F318 HydrophobicContact CD2-CZ 4.05Å; L293-F318 HydrophobicContact CG-CE2 4.01Å
294P93.8Very high89.3Confident0 Ų040.2 Ų40.20%020%0.204CC..  trans-77.5137.9-176.121.2-20.6000111.9S59 F60 P63 L292 C296 F297S59-P294 WeakPolarHBondContact O-CB 3.25Å; S59-P294 WeakPolarHBondContact O-CG 3.4Å; F60-P294 HydrophobicContact CD1-CG 3.88Å; F60-P294 HydrophobicContact CD2-CG 4.12Å; F60-P294 VanDerWaalsContact CE1-CD 3.44Å; F60-P294 HydrophobicContact CE1-CG 4.05Å; F60-P294 HydrophobicContact CE2-CG 4.26Å; F60-P294 HydrophobicContact CG-CG 3.93Å; F60-P294 HydrophobicContact CZ-CG 4.23Å; P63-P294 HydrophobicContact CB-CB 3.78Å; P63-P294 HydrophobicContact CG-CB 4.46Å; L292-P294 WeakPolarHBondContact O-CD 3.32Å; P294-C296 PolarHBondContact O-N 3.24Å; P294-F297 HydrophobicContact CG-CB 4.01Å; P294-F297 WeakPolarHBondContact O-CB 3.48Å; P294-F297 PolarHBondContact O-N 3.5Å
295P91.3Very high89.9Confident1 Ų141.7 Ų41.71%0.00621%0.214CC..THydrogen-bonded Turntrans-62-29179.9-22.630.8000114P63 F297 P315 F318 M321 R322P63-P295 WeakPolarHBondContact O-CD 3.42Å; P295-F297 PolarHBondContact O-N 3.16Å; P295-P315 HydrophobicContact CG-CB 4.36Å; P295-P315 HydrophobicContact CG-CG 4.15Å; P295-F318 HydrophobicContact CB-CD2 3.9Å; P295-F318 HydrophobicContact CB-CG 4.43Å; P295-F318 HydrophobicContact CG-CB 3.89Å; P295-F318 HydrophobicContact CG-CD2 3.66Å; P295-F318 HydrophobicContact CG-CG 4.15Å; P295-M321 HydrophobicContact CB-CB 4.24Å; P295-M321 HydrophobicContact CB-CE 3.29Å; P295-M321 HydrophobicContact CB-SD 4.33Å; P295-M321 HydrophobicContact CG-CE 3.33Å; P295-R322 PolarHBondContact O-NE 3.48Å; P295-R322 PolarHBondContact O-NH2 3.16Å
296C86.9Confident90Very high34 Ų3441.7 Ų41.723%0.2322%0.219CC..THydrogen-bonded Turntrans-77.1-7.9176.568.50000113.6S59 P63 P294S59-C296 VanDerWaalsContact CB-SG 3.59Å; P63-C296 PolarHBondContact O-SG 2.86Å; P294-C296 PolarHBondContact O-N 3.24Å
297F89.1Confident90.3Very high39 Ų3944.5 Ų44.517%0.17124%0.241CC..SBendtrans-64.6135.4177.1-172.5-103.5000111D56 F60 L293 P294 P295 G299 A300 L303 R322D56-F297 HydrophobicContact CB-CD2 4.21Å; D56-F297 HydrophobicContact CB-CE2 3.73Å; F60-F297 AromaticContact CE2-CD2 3.76Å; F60-F297 HydrophobicContact CE2-CD2 3.76Å; F60-F297 AromaticContact CE2-CE2 3.85Å; F60-F297 HydrophobicContact CE2-CE2 3.85Å; F60-F297 HydrophobicContact CZ-CD2 4.28Å; F60-F297 HydrophobicContact CZ-CE2 4.38Å; L293-F297 HydrophobicContact CD1-CB 4.49Å; L293-F297 HydrophobicContact CD1-CD1 4.13Å; L293-F297 HydrophobicContact CD1-CG 4.48Å; P294-F297 HydrophobicContact CG-CB 4.01Å; P294-F297 WeakPolarHBondContact O-CB 3.48Å; P294-F297 PolarHBondContact O-N 3.5Å; P295-F297 PolarHBondContact O-N 3.16Å; F297-G299 PolarHBondContact O-N 2.91Å; F297-A300 HydrophobicContact CB-CB 4.19Å; F297-A300 HydrophobicContact CD1-CB 4.39Å; F297-A300 WeakPolarHBondContact O-CB 3.5Å; F297-A300 PolarHBondContact O-N 2.84Å; F297-L303 HydrophobicContact CD1-CD1 4.31Å; F297-L303 HydrophobicContact CE1-CD1 4.06Å; F297-R322 PolarHBondContact O-NH2 3.39Å
298K85Confident90.3Very high159 Ų15945.6 Ų45.669%0.69125%0.251SS*.THydrogen-bonded Turntrans-70.8123.5-179.3-68.4-178.8179.9177.70109.6A300K298-A300 VanDerWaalsContact C-N 3.34Å
299G85.5Confident90.4Very high20 Ų2043.4 Ų43.421%0.20624%0.237CC..THydrogen-bonded Turntrans77.316.5-177.800000114.3F297 E301 Q302 L303F297-G299 PolarHBondContact O-N 2.91Å; G299-E301 PolarHBondContact O-N 3.2Å; G299-Q302 WeakPolarHBondContact O-CB 3.43Å; G299-Q302 PolarHBondContact O-N 3Å; G299-L303 PolarHBondContact O-N 3.32Å
300A88.9Confident90.4Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-53.4-40.2176.700000112.7L293 F297 K298 Q302 L303 F318L293-A300 HydrophobicContact CD1-CB 4.3Å; L293-A300 HydrophobicContact CD2-CB 4.18Å; L293-A300 HydrophobicContact CG-CB 4.25Å; F297-A300 HydrophobicContact CB-CB 4.19Å; F297-A300 HydrophobicContact CD1-CB 4.39Å; F297-A300 WeakPolarHBondContact O-CB 3.5Å; F297-A300 PolarHBondContact O-N 2.84Å; K298-A300 VanDerWaalsContact C-N 3.34Å; A300-Q302 VanDerWaalsContact C-N 3.27Å; A300-Q302 PolarHBondContact O-N 3.43Å; A300-L303 PolarHBondContact O-N 2.94Å; A300-F318 HydrophobicContact CB-CE2 3.81Å; A300-F318 HydrophobicContact CB-CZ 3.83Å
301E86.3Confident90.5Very high62 Ų6240.7 Ų40.729%0.2922%0.222SC..Hα-helixtrans-62.2-32.9176.762.8-101.6163.900113.2G299 L303 L304 L305 R322 F324G299-E301 PolarHBondContact O-N 3.2Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.41Å; E301-L304 PolarHBondContact O-N 3.27Å; E301-L305 WeakPolarHBondContact O-CG 3.49Å; E301-L305 PolarHBondContact O-N 2.95Å; E301-R322 IonicContact OE1-NH1 3.7Å; E301-R322 IonicContact OE2-CZ 2.82Å; E301-R322 IonicContact OE2-NE 3.76Å; E301-R322 IonicContact OE2-NH1 3.65Å; E301-R322 PolarHBondContact OE2-NH1 3.23Å; E301-F324 HydrophobicContact CB-CE1 4.33Å; E301-F324 HydrophobicContact CB-CE2 4.01Å; E301-F324 HydrophobicContact CB-CZ 3.58Å
302Q86.9Confident90.5Very high138 Ų13840.7 Ų40.765%0.64522%0.222SC*.Hα-helixtrans-70.6-29.2-179.3-61.6178.6-1200112G299 A300 L304 L305 A306G299-Q302 WeakPolarHBondContact O-CB 3.43Å; G299-Q302 PolarHBondContact O-N 3Å; A300-Q302 VanDerWaalsContact C-N 3.27Å; A300-Q302 PolarHBondContact O-N 3.43Å; Q302-L304 VanDerWaalsContact C-N 3.32Å; Q302-L305 PolarHBondContact O-N 3.33Å; Q302-A306 PolarHBondContact O-N 2.87Å
303L89Confident90.5Very high62 Ų6240.7 Ų40.733%0.32522%0.221SC..Hα-helixtrans-65.7-36.8176-66174000111.6I290 L293 F297 G299 A300 E301 L305 A306I290-L303 HydrophobicContact CD1-CD1 4.05Å; L293-L303 HydrophobicContact CD1-CD1 3.61Å; L293-L303 HydrophobicContact CD2-CB 4.41Å; L293-L303 HydrophobicContact CD2-CD1 4.24Å; F297-L303 HydrophobicContact CD1-CD1 4.31Å; F297-L303 HydrophobicContact CE1-CD1 4.06Å; G299-L303 PolarHBondContact O-N 3.32Å; A300-L303 PolarHBondContact O-N 2.94Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.41Å; L303-L305 PolarHBondContact O-N 2.7Å; L303-A306 VanDerWaalsContact O-CB 3.3Å; L303-A306 WeakPolarHBondContact O-CB 3.31Å; L303-A306 PolarHBondContact O-N 2.93Å
304L89.7Confident90.5Very high0 Ų040.6 Ų40.60%022%0.221CC..Hα-helixtrans-71.8-19.7175.2-59.9-173.2000112.8V260 E301 Q302 A306 F310 I312 F318 F319 F324 I331V260-L304 HydrophobicContact CG2-CD2 3.86Å; E301-L304 PolarHBondContact O-N 3.27Å; Q302-L304 VanDerWaalsContact C-N 3.32Å; L304-A306 VanDerWaalsContact C-N 3.33Å; L304-F310 HydrophobicContact CD2-CE2 4.19Å; L304-F310 HydrophobicContact CD2-CZ 4.37Å; L304-F310 WeakPolarHBondContact O-CZ 3.18Å; L304-I312 HydrophobicContact CD2-CB 4.38Å; L304-I312 HydrophobicContact CD2-CD1 3.86Å; L304-I312 HydrophobicContact CD2-CG2 4.19Å; L304-F318 HydrophobicContact CD1-CE1 3.65Å; L304-F318 HydrophobicContact CD1-CZ 4.12Å; L304-F319 HydrophobicContact CD1-CE1 4.34Å; L304-F324 HydrophobicContact CB-CZ 4.23Å; L304-F324 HydrophobicContact CD1-CE2 4.03Å; L304-F324 HydrophobicContact CD1-CZ 3.98Å; L304-I331 HydrophobicContact CB-CD1 4.48Å
305L87.9Confident90.6Very high101 Ų10140.6 Ų40.653%0.52922%0.221SC..THydrogen-bonded Turntrans-88.61176.3-62.9174.5000113.1E301 Q302 L303 F324 P328E301-L305 WeakPolarHBondContact O-CG 3.49Å; E301-L305 PolarHBondContact O-N 2.95Å; Q302-L305 PolarHBondContact O-N 3.33Å; L303-L305 PolarHBondContact O-N 2.7Å; L305-F324 HydrophobicContact CD2-CE1 4.41Å; L305-P328 HydrophobicContact CD2-CG 3.69Å
306A87.5Confident90.6Very high25 Ų2541.7 Ų41.721%0.20723%0.23CC..  trans-57.4137.4179.200000110.8K258 Q302 L303 L304 T308 F310K258-A306 WeakPolarHBondContact CE-O 3.42Å; K258-A306 PolarHBondContact NZ-O 3.47Å; Q302-A306 PolarHBondContact O-N 2.87Å; L303-A306 VanDerWaalsContact O-CB 3.3Å; L303-A306 WeakPolarHBondContact O-CB 3.31Å; L303-A306 PolarHBondContact O-N 2.93Å; L304-A306 VanDerWaalsContact C-N 3.33Å; A306-T308 VanDerWaalsContact C-N 3.27Å; A306-T308 PolarHBondContact O-N 3.43Å; A306-F310 HydrophobicContact CB-CD1 4.28Å; A306-F310 HydrophobicContact CB-CE1 4.33Å
307P88.9Confident90.8Very high120 Ų12041 Ų4178%0.77923%0.226SC*.SBendtrans-74.4-21-18030.3-35.1000112.3
308T89.9Confident90.9Very high66 Ų6639.2 Ų39.241%0.40522%0.218SC..SBendtrans-79.2155.5178.952.10000111.5A306 F310A306-T308 VanDerWaalsContact C-N 3.27Å; A306-T308 PolarHBondContact O-N 3.43Å; T308-F310 WeakPolarHBondContact O-CD1 3.42Å
309P92.7Very high90.9Very high22 Ų2233.9 Ų33.914%0.14320%0.195CC..  trans-53.2154.9168.2-22.932.4000111.8E256 F287E256-P309 HydrophobicContact CB-CB 4.13Å; E256-P309 HydrophobicContact CB-CG 3.76Å; E256-P309 VanDerWaalsContact O-CB 3.23Å; E256-P309 WeakPolarHBondContact O-CB 3.38Å; E256-P309 WeakPolarHBondContact O-CG 3.44Å; F287-P309 HydrophobicContact CB-CB 4.14Å; F287-P309 VanDerWaalsContact CB-O 3.3Å; F287-P309 WeakPolarHBondContact CB-O 3.38Å; F287-P309 HydrophobicContact CD1-CB 3.95Å; F287-P309 HydrophobicContact CD1-CG 3.88Å; F287-P309 HydrophobicContact CD2-CB 3.83Å; F287-P309 HydrophobicContact CD2-CG 4.15Å; F287-P309 HydrophobicContact CE1-CB 4.29Å; F287-P309 HydrophobicContact CE1-CG 3.73Å; F287-P309 HydrophobicContact CE2-CB 4.18Å; F287-P309 HydrophobicContact CE2-CG 4.03Å; F287-P309 HydrophobicContact CG-CB 3.7Å; F287-P309 HydrophobicContact CG-CG 4.08Å; F287-P309 HydrophobicContact CZ-CB 4.39Å; F287-P309 HydrophobicContact CZ-CG 3.8Å
310F94.7Very high90.9Very high2 Ų240.4 Ų40.41%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-162.9161.2172.854.4-106.9000111.4K258 V259 V260 Y285 P288 L304 A306 T308 I312 I331K258-F310 HydrophobicContact CB-CD1 4.41Å; K258-F310 HydrophobicContact CB-CD2 4.32Å; K258-F310 HydrophobicContact CB-CE1 4Å; K258-F310 HydrophobicContact CB-CE2 3.89Å; K258-F310 HydrophobicContact CB-CZ 3.72Å; K258-F310 HydrophobicContact CD-CD1 4.34Å; K258-F310 HydrophobicContact CD-CE1 3.61Å; K258-F310 HydrophobicContact CD-CZ 3.91Å; K258-F310 HydrophobicContact CG-CD1 3.99Å; K258-F310 HydrophobicContact CG-CE1 3.68Å; K258-F310 HydrophobicContact CG-CE2 4.46Å; K258-F310 HydrophobicContact CG-CZ 3.94Å; V259-F310 PolarHBondContact N-O 3.37Å; V260-F310 HydrophobicContact CG2-CE2 3.83Å; Y285-F310 WeakPolarHBondContact OH-CA 3.26Å; Y285-F310 PolarHBondContact OH-N 2.96Å; P288-F310 HydrophobicContact CB-CB 4.31Å; P288-F310 WeakPolarHBondContact O-CA 3.33Å; L304-F310 HydrophobicContact CD2-CE2 4.19Å; L304-F310 HydrophobicContact CD2-CZ 4.37Å; L304-F310 WeakPolarHBondContact O-CZ 3.18Å; A306-F310 HydrophobicContact CB-CD1 4.28Å; A306-F310 HydrophobicContact CB-CE1 4.33Å; T308-F310 WeakPolarHBondContact O-CD1 3.42Å; F310-I312 HydrophobicContact CB-CD1 4.22Å; F310-I312 HydrophobicContact CB-CG1 4.23Å; F310-I312 HydrophobicContact CD2-CB 4.24Å; F310-I312 HydrophobicContact CD2-CD1 3.54Å; F310-I312 HydrophobicContact CD2-CG1 3.66Å; F310-I312 HydrophobicContact CE2-CD1 3.96Å; F310-I312 HydrophobicContact CE2-CG1 4.34Å; F310-I312 HydrophobicContact CG-CD1 3.86Å; F310-I312 HydrophobicContact CG-CG1 4.18Å; F310-I331 HydrophobicContact CZ-CD1 4.19Å; F310-I331 HydrophobicContact CZ-CG1 4.28Å
311V96.7Very high90.6Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-124.4113.8166.5-172.50000108.9I253 V259 M261 V273 I277 Y285 P288 V289 I290I253-V311 HydrophobicContact CD1-CG1 4.31Å; I253-V311 HydrophobicContact CD1-CG2 4.01Å; I253-V311 HydrophobicContact CG1-CG2 3.8Å; I253-V311 HydrophobicContact CG2-CG2 3.97Å; V259-V311 HydrophobicContact CB-CG1 4.46Å; V259-V311 HydrophobicContact CB-CG2 4.46Å; V259-V311 WeakPolarHBondContact O-CA 3.07Å; M261-V311 HydrophobicContact CE-CG1 4.23Å; V273-V311 HydrophobicContact CG1-CG1 3.96Å; V273-V311 HydrophobicContact CG2-CG1 4.45Å; I277-V311 HydrophobicContact CD1-CB 4.34Å; I277-V311 HydrophobicContact CD1-CG2 3.94Å; Y285-V311 HydrophobicContact CE1-CG2 3.96Å; Y285-V311 HydrophobicContact CE2-CG2 4.43Å; P288-V311 PolarHBondContact O-N 3.02Å; V289-V311 WeakPolarHBondContact CA-O 3.42Å; I290-V311 PolarHBondContact N-O 3.44Å
312I96.9Very high90.3Very high2 Ų245 Ų451%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-128128.4-173.6-63.3176.6000110V259 V260 M261 I290 L293 L304 F310 V314V259-I312 PolarHBondContact O-N 3.44Å; V260-I312 CarbonylContact C-O 3.49Å; V260-I312 VanDerWaalsContact CA-O 3.25Å; V260-I312 WeakPolarHBondContact CA-O 3.28Å; M261-I312 PolarHBondContact N-O 2.98Å; I290-I312 HydrophobicContact CB-CG1 4.11Å; I290-I312 HydrophobicContact CB-CG2 4.31Å; I290-I312 HydrophobicContact CD1-CD1 4.08Å; I290-I312 HydrophobicContact CD1-CG1 4.21Å; I290-I312 HydrophobicContact CG1-CG1 4.23Å; I290-I312 CarbonylContact O-C 3.59Å; I290-I312 WeakPolarHBondContact O-CA 3.46Å; L293-I312 HydrophobicContact CB-CG2 3.71Å; L293-I312 HydrophobicContact CD2-CG2 3.97Å; L304-I312 HydrophobicContact CD2-CB 4.38Å; L304-I312 HydrophobicContact CD2-CD1 3.86Å; L304-I312 HydrophobicContact CD2-CG2 4.19Å; F310-I312 HydrophobicContact CB-CD1 4.22Å; F310-I312 HydrophobicContact CB-CG1 4.23Å; F310-I312 HydrophobicContact CD2-CB 4.24Å; F310-I312 HydrophobicContact CD2-CD1 3.54Å; F310-I312 HydrophobicContact CD2-CG1 3.66Å; F310-I312 HydrophobicContact CE2-CD1 3.96Å; F310-I312 HydrophobicContact CE2-CG1 4.34Å; F310-I312 HydrophobicContact CG-CD1 3.86Å; F310-I312 HydrophobicContact CG-CG1 4.18Å; I312-V314 HydrophobicContact CG2-CG1 4.03Å
313G97.6Very high89.5Confident0 Ų043.6 Ų43.60%024%0.242CC..EExtended strand (participates in β ladder)trans-90.9137.8167.200000110.8M261 I290 P291 L292 L293M261-G313 CarbonylContact O-C 3.53Å; M261-G313 VanDerWaalsContact O-CA 3.31Å; M261-G313 WeakPolarHBondContact O-CA 3.27Å; I290-G313 PolarHBondContact O-N 3.43Å; P291-G313 WeakPolarHBondContact O-CA 3.26Å; L292-G313 CarbonylContact C-O 3.51Å; L292-G313 WeakPolarHBondContact CA-O 3.43Å; L293-G313 PolarHBondContact N-O 2.8Å
314V95.8Very high88.6Confident0 Ų043 Ų430%024%0.237CC..EExtended strand (participates in β ladder)trans-131.1146.7175.7-640000110.8V260 M261 Q262 S263 L293 I312 F318 F319V260-V314 HydrophobicContact CG1-CG1 4.34Å; V260-V314 HydrophobicContact CG1-CG2 3.76Å; M261-V314 PolarHBondContact O-N 2.83Å; Q262-V314 VanDerWaalsContact CA-O 3.31Å; Q262-V314 WeakPolarHBondContact CA-O 3.47Å; Q262-V314 HydrophobicContact CB-CG2 3.84Å; S263-V314 PolarHBondContact N-O 3.2Å; L293-V314 HydrophobicContact CB-CG1 4.25Å; I312-V314 HydrophobicContact CG2-CG1 4.03Å; V314-F318 HydrophobicContact CB-CB 3.8Å; V314-F318 HydrophobicContact CB-CD1 4.42Å; V314-F318 HydrophobicContact CB-CD2 4.01Å; V314-F318 HydrophobicContact CB-CG 3.84Å; V314-F318 HydrophobicContact CG1-CB 4.46Å; V314-F318 HydrophobicContact CG1-CD1 4.24Å; V314-F318 HydrophobicContact CG1-CD2 3.85Å; V314-F318 HydrophobicContact CG1-CE1 4.47Å; V314-F318 HydrophobicContact CG1-CE2 4.14Å; V314-F318 HydrophobicContact CG1-CG 3.94Å; V314-F318 HydrophobicContact CG1-CZ 4.44Å; V314-F318 HydrophobicContact CG2-CB 4.21Å; V314-F318 HydrophobicContact CG2-CG 4.46Å; V314-F319 HydrophobicContact CG2-CE2 3.94Å; V314-F319 HydrophobicContact CG2-CZ 4.3Å
315P95Very high87.1Confident0 Ų049.1 Ų49.10%028%0.28CS..EExtended strand (participates in β ladder)trans-56.3147.9163.3-2939.5000111.9P63 S263 Y266 L292 L293 P295 S317 F318P63-P315 HydrophobicContact CB-CG 4.17Å; S263-P315 CarbonylContact O-C 3.59Å; Y266-P315 HydrophobicContact CD1-CB 4.26Å; Y266-P315 HydrophobicContact CD1-CG 4.12Å; Y266-P315 HydrophobicContact CE1-CB 3.77Å; Y266-P315 HydrophobicContact CE1-CG 3.85Å; L292-P315 HydrophobicContact CD1-CG 4.03Å; L293-P315 VanDerWaalsContact O-CD 3.32Å; L293-P315 WeakPolarHBondContact O-CD 3.46Å; P295-P315 HydrophobicContact CG-CB 4.36Å; P295-P315 HydrophobicContact CG-CG 4.15Å; P315-S317 VanDerWaalsContact CB-OG 3.29Å; P315-S317 WeakPolarHBondContact CB-OG 3.32Å; P315-S317 PolarHBondContact O-N 3.28Å; P315-F318 WeakPolarHBondContact O-CB 3.47Å; P315-F318 PolarHBondContact O-N 3.21Å
316A91.4Very high86Confident23 Ų2349.7 Ų49.719%0.1929%0.287CS..THydrogen-bonded Turntrans-56.7-32171.200000112.3S263 R264 F318S263-A316 PolarHBondContact O-N 3.49Å; R264-A316 HydrophobicContact CG-CB 3.66Å; A316-F318 PolarHBondContact O-N 3.18Å
317S90.6Very high85.3Confident21 Ų2150.8 Ų50.815%0.14729%0.289CS..THydrogen-bonded Turntrans-67.1-10.9174.655.40000114D64 P315 F319 E320 M321D64-S317 VanDerWaalsContact CG-OG 3.26Å; D64-S317 PolarHBondContact OD1-OG 3.01Å; D64-S317 PolarHBondContact OD2-OG 3.48Å; P315-S317 VanDerWaalsContact CB-OG 3.29Å; P315-S317 WeakPolarHBondContact CB-OG 3.32Å; P315-S317 PolarHBondContact O-N 3.28Å; S317-F319 PolarHBondContact O-N 3.02Å; S317-E320 PolarHBondContact O-N 2.95Å; S317-M321 PolarHBondContact O-N 3Å
318F91.9Very high84.8Confident0 Ų046.6 Ų46.60%026%0.262CS..Hα-helixtrans-60.1-50.4-176.4-172.6-83.2000112.2L293 P295 A300 L304 V314 P315 A316 E320 M321 R322 F324L293-F318 HydrophobicContact CD2-CE2 3.94Å; L293-F318 HydrophobicContact CD2-CZ 4.05Å; L293-F318 HydrophobicContact CG-CE2 4.01Å; P295-F318 HydrophobicContact CB-CD2 3.9Å; P295-F318 HydrophobicContact CB-CG 4.43Å; P295-F318 HydrophobicContact CG-CB 3.89Å; P295-F318 HydrophobicContact CG-CD2 3.66Å; P295-F318 HydrophobicContact CG-CG 4.15Å; A300-F318 HydrophobicContact CB-CE2 3.81Å; A300-F318 HydrophobicContact CB-CZ 3.83Å; L304-F318 HydrophobicContact CD1-CE1 3.65Å; L304-F318 HydrophobicContact CD1-CZ 4.12Å; V314-F318 HydrophobicContact CB-CB 3.8Å; V314-F318 HydrophobicContact CB-CD1 4.42Å; V314-F318 HydrophobicContact CB-CD2 4.01Å; V314-F318 HydrophobicContact CB-CG 3.84Å; V314-F318 HydrophobicContact CG1-CB 4.46Å; V314-F318 HydrophobicContact CG1-CD1 4.24Å; V314-F318 HydrophobicContact CG1-CD2 3.85Å; V314-F318 HydrophobicContact CG1-CE1 4.47Å; V314-F318 HydrophobicContact CG1-CE2 4.14Å; V314-F318 HydrophobicContact CG1-CG 3.94Å; V314-F318 HydrophobicContact CG1-CZ 4.44Å; V314-F318 HydrophobicContact CG2-CB 4.21Å; V314-F318 HydrophobicContact CG2-CG 4.46Å; P315-F318 WeakPolarHBondContact O-CB 3.47Å; P315-F318 PolarHBondContact O-N 3.21Å; A316-F318 PolarHBondContact O-N 3.18Å; F318-E320 VanDerWaalsContact C-N 3.26Å; F318-E320 PolarHBondContact O-N 3.3Å; F318-M321 PolarHBondContact O-N 3.19Å; F318-R322 WeakPolarHBondContact O-CB 3.5Å; F318-R322 PolarHBondContact O-N 3.32Å; F318-F324 HydrophobicContact CE1-CE2 4.08Å
319F86.2Confident84.2Confident48 Ų4849.6 Ų49.621%0.21128%0.28CS..Hα-helixtrans-72.8-20.6-179.6-61.5-65.6000112.9V260 L304 V314 S317 F324 L327 L333V260-F319 HydrophobicContact CG1-CZ 4.25Å; L304-F319 HydrophobicContact CD1-CE1 4.34Å; V314-F319 HydrophobicContact CG2-CE2 3.94Å; V314-F319 HydrophobicContact CG2-CZ 4.3Å; S317-F319 PolarHBondContact O-N 3.02Å; F319-F324 HydrophobicContact CD1-CD2 4.16Å; F319-F324 HydrophobicContact CE1-CD2 4.37Å; F319-L327 HydrophobicContact CD1-CD1 4.39Å; F319-L327 HydrophobicContact CE1-CD1 3.52Å; F319-L327 HydrophobicContact CZ-CD1 4.04Å; F319-L333 HydrophobicContact CE2-CD1 4.08Å; F319-L333 HydrophobicContact CZ-CD1 4.27Å
320E84.1Confident83.8Confident157 Ų15751.8 Ų51.873%0.73429%0.291SS*.Hα-helixtrans-75.4-44.8173.5-60.2-179.1171.300111.6S317 F318S317-E320 PolarHBondContact O-N 2.95Å; F318-E320 VanDerWaalsContact C-N 3.26Å; F318-E320 PolarHBondContact O-N 3.3Å
321M83.1Confident83.5Confident86 Ų8651.9 Ų51.942%0.42429%0.291SS..Hα-helixtrans-78.7-27.3-179.6-71.9-165.6-80.500113.4D64 P295 S317 F318 P323D64-M321 HydrophobicContact CB-CE 4.15Å; D64-M321 WeakPolarHBondContact OD1-CE 3.16Å; P295-M321 HydrophobicContact CB-CB 4.24Å; P295-M321 HydrophobicContact CB-CE 3.29Å; P295-M321 HydrophobicContact CB-SD 4.33Å; P295-M321 HydrophobicContact CG-CE 3.33Å; S317-M321 PolarHBondContact O-N 3Å; F318-M321 PolarHBondContact O-N 3.19Å; M321-P323 WeakPolarHBondContact O-CD 3.38Å
322R80.7Confident83.2Confident72 Ų7252 Ų5227%0.27229%0.292SS..SBendtrans-121.478.9178.4-62.4-65.3-169.2151-5.6108.9P295 F297 E301 F318 F324P295-R322 PolarHBondContact O-NE 3.48Å; P295-R322 PolarHBondContact O-NH2 3.16Å; F297-R322 PolarHBondContact O-NH2 3.39Å; E301-R322 IonicContact OE1-NH1 3.7Å; E301-R322 IonicContact OE2-CZ 2.82Å; E301-R322 IonicContact OE2-NE 3.76Å; E301-R322 IonicContact OE2-NH1 3.65Å; E301-R322 PolarHBondContact OE2-NH1 3.23Å; F318-R322 WeakPolarHBondContact O-CB 3.5Å; F318-R322 PolarHBondContact O-N 3.32Å; R322-F324 PolarHBondContact O-N 3.42Å
323P69.6Low83Confident109 Ų10953.2 Ų53.271%0.70830%0.299SS*.  trans-62.8110.4-179.624.2-32.2000109.9M321M321-P323 WeakPolarHBondContact O-CD 3.38Å
324F69.3Low82.8Confident50 Ų5053.2 Ų53.222%0.21930%0.299CS..  trans-75.9133.2166.3-87.5-96.2000108.8E301 L304 L305 F318 F319 R322 V326E301-F324 HydrophobicContact CB-CE1 4.33Å; E301-F324 HydrophobicContact CB-CE2 4.01Å; E301-F324 HydrophobicContact CB-CZ 3.58Å; L304-F324 HydrophobicContact CB-CZ 4.23Å; L304-F324 HydrophobicContact CD1-CE2 4.03Å; L304-F324 HydrophobicContact CD1-CZ 3.98Å; L305-F324 HydrophobicContact CD2-CE1 4.41Å; F318-F324 HydrophobicContact CE1-CE2 4.08Å; F319-F324 HydrophobicContact CD1-CD2 4.16Å; F319-F324 HydrophobicContact CE1-CD2 4.37Å; R322-F324 PolarHBondContact O-N 3.42Å; F324-V326 VanDerWaalsContact C-N 3.33Å
325S58.3Low82.7Confident127 Ų12754.4 Ų54.489%0.88831%0.305SS*.SBendtrans-65.2-40.1172.348.50000111.4
326V64.7Low82.7Confident113 Ų11354.6 Ų54.669%0.68531%0.306SS*.SBendtrans-151.9129170.8-176.30000108.2F324F324-V326 VanDerWaalsContact C-N 3.33Å
327L73.7Confident82.8Confident49 Ų4956.4 Ų56.426%0.25731%0.312SS..  trans-68.8134.9171.1-163.182.8000109.1F319 T329 I331F319-L327 HydrophobicContact CD1-CD1 4.39Å; F319-L327 HydrophobicContact CE1-CD1 3.52Å; F319-L327 HydrophobicContact CZ-CD1 4.04Å; L327-T329 PolarHBondContact O-N 3.44Å; L327-I331 HydrophobicContact CD1-CD1 4.49Å; L327-I331 HydrophobicContact CD2-CB 4.28Å; L327-I331 HydrophobicContact CD2-CG2 4.15Å; L327-I331 HydrophobicContact CG-CD1 4.3Å
328P77.2Confident83Confident31 Ų3157.7 Ų57.720%0.20132%0.321CS..  trans-50.7135.7175.5-27.332.7000112.7L305 D330 I331L305-P328 HydrophobicContact CD2-CG 3.69Å; P328-D330 WeakPolarHBondContact CB-OD1 3.16Å; P328-D330 PolarHBondContact O-N 2.86Å; P328-I331 HydrophobicContact CB-CD1 3.94Å; P328-I331 HydrophobicContact CB-CG1 4.13Å; P328-I331 HydrophobicContact CG-CD1 3.86Å; P328-I331 PolarHBondContact O-N 3.04Å
329T78Confident83Confident129 Ų12961 Ų6179%0.79135%0.345SS*.THydrogen-bonded Turntrans-70.3-13.6-174.851.80000113.8L327L327-T329 PolarHBondContact O-N 3.44Å
330D84.4Confident83.2Confident69 Ų6964.6 Ų64.637%0.36936%0.36SS..THydrogen-bonded Turntrans-92.95.8179.663.1-27.2000113.3K258 P328K258-D330 WeakPolarHBondContact CD-OD2 3.48Å; K258-D330 VanDerWaalsContact CE-OD2 3.25Å; K258-D330 WeakPolarHBondContact CE-OD2 3.24Å; K258-D330 IonicContact NZ-OD1 3.16Å; K258-D330 IonicContact NZ-OD2 3.01Å; K258-D330 PolarHBondContact NZ-OD2 2.8Å; P328-D330 WeakPolarHBondContact CB-OD1 3.16Å; P328-D330 PolarHBondContact O-N 2.86Å
331I88.5Confident83.3Confident3 Ų358.3 Ų58.32%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-94.6125.7173.9-64.3175.5000110.3K258 V260 L304 F310 L327 P328K258-I331 HydrophobicContact CB-CG1 4.05Å; K258-I331 HydrophobicContact CD-CG1 4.31Å; K258-I331 WeakPolarHBondContact O-CA 3.28Å; V260-I331 HydrophobicContact CB-CG2 3.93Å; V260-I331 HydrophobicContact CG2-CG2 3.54Å; L304-I331 HydrophobicContact CB-CD1 4.48Å; F310-I331 HydrophobicContact CZ-CD1 4.19Å; F310-I331 HydrophobicContact CZ-CG1 4.28Å; L327-I331 HydrophobicContact CD1-CD1 4.49Å; L327-I331 HydrophobicContact CD2-CB 4.28Å; L327-I331 HydrophobicContact CD2-CG2 4.15Å; L327-I331 HydrophobicContact CG-CD1 4.3Å; P328-I331 HydrophobicContact CB-CD1 3.94Å; P328-I331 HydrophobicContact CB-CG1 4.13Å; P328-I331 HydrophobicContact CG-CD1 3.86Å; P328-I331 PolarHBondContact O-N 3.04Å
332V90.5Very high83.1Confident3 Ų358.1 Ų58.12%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-83.7111166.5-178.20000108.1Q257 K258 V259 V260 V334 V341Q257-V332 HydrophobicContact CB-CG2 4.36Å; K258-V332 PolarHBondContact O-N 2.8Å; V259-V332 WeakPolarHBondContact CA-O 3.38Å; V259-V332 HydrophobicContact CG2-CB 4.37Å; V260-V332 PolarHBondContact N-O 2.94Å; V332-V334 HydrophobicContact CG1-CG2 4.48Å; V332-V341 HydrophobicContact CG1-CG1 3.67Å
333L91.9Very high82.2Confident27 Ų2757.4 Ų57.414%0.14134%0.343CS..EExtended strand (participates in β ladder)trans-94.4121.6-179.9179.866.3000110V260 Q262 F319 L342V260-L333 HydrophobicContact CB-CD1 4.17Å; V260-L333 HydrophobicContact CG1-CD1 3.97Å; V260-L333 CarbonylContact O-C 3.52Å; V260-L333 WeakPolarHBondContact O-CA 3.36Å; Q262-L333 HydrophobicContact CG-CD1 4.41Å; F319-L333 HydrophobicContact CE2-CD1 4.08Å; F319-L333 HydrophobicContact CZ-CD1 4.27Å; L333-L342 HydrophobicContact CB-CB 4.35Å; L333-L342 HydrophobicContact CD2-CD1 4.31Å; L333-L342 PolarHBondContact N-O 3.21Å; L333-L342 PolarHBondContact O-N 3.17Å
334V94.3Very high81.5Confident0 Ų054.5 Ų54.50%032%0.321CS..EExtended strand (participates in β ladder)trans-109.1113.3178.7-176.90000108.3L241 V249 V259 V260 M261 Q262 V332 L336 V341L241-V334 HydrophobicContact CD1-CG1 3.8Å; L241-V334 HydrophobicContact CD2-CG1 3.83Å; L241-V334 HydrophobicContact CG-CG1 4.44Å; V249-V334 HydrophobicContact CG2-CG1 4.14Å; V249-V334 HydrophobicContact CG2-CG2 3.64Å; V259-V334 HydrophobicContact CG1-CG2 3.98Å; V260-V334 PolarHBondContact O-N 2.99Å; M261-V334 CarbonylContact C-O 3.42Å; M261-V334 WeakPolarHBondContact CA-O 3.25Å; M261-V334 HydrophobicContact CB-CB 4.46Å; M261-V334 HydrophobicContact CG-CB 4.07Å; M261-V334 HydrophobicContact CG-CG1 4.49Å; M261-V334 HydrophobicContact CG-CG2 4.44Å; Q262-V334 PolarHBondContact N-O 2.96Å; V332-V334 HydrophobicContact CG1-CG2 4.48Å; V334-L336 HydrophobicContact CG1-CD2 4.09Å; V334-V341 HydrophobicContact CG1-CG2 4.33Å; V334-V341 HydrophobicContact CG2-CG1 4.29Å; V334-V341 HydrophobicContact CG2-CG2 4.37Å
335D93.9Very high81Confident26 Ų2656.7 Ų56.714%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-98.5101.8175.6-175.520.5000109.6Q262 D337 S338 S339 K340Q262-D335 HydrophobicContact CG-CB 4.13Å; Q262-D335 VanDerWaalsContact NE2-CG 3.26Å; Q262-D335 PolarHBondContact NE2-OD1 3.08Å; Q262-D335 VanDerWaalsContact NE2-OD1 3.08Å; D335-D337 VanDerWaalsContact C-N 3.27Å; D335-D337 PolarHBondContact O-N 2.96Å; D335-D337 PolarHBondContact OD1-N 3.35Å; D335-S338 PolarHBondContact O-N 3.34Å; D335-S338 VanDerWaalsContact OD2-CB 3.31Å; D335-S338 WeakPolarHBondContact OD2-CB 3.48Å; D335-S338 PolarHBondContact OD2-OG 3.48Å; D335-S339 PolarHBondContact O-N 3.41Å; D335-K340 PolarHBondContact N-O 3.2Å; D335-K340 PolarHBondContact O-N 3.36Å
336L95.3Very high80.7Confident4 Ų457 Ų572%0.02132%0.322CS..THydrogen-bonded Turntrans-69.1-28.7-177-62.6172.3000111.6L240 L241 M261 Q262 V269 C272 V334 S338L240-L336 HydrophobicContact CB-CD2 4.48Å; L240-L336 HydrophobicContact CD1-CB 4.43Å; L241-L336 HydrophobicContact CD1-CD2 4.07Å; L241-L336 HydrophobicContact CD2-CD2 3.93Å; L241-L336 HydrophobicContact CG-CD2 3.88Å; M261-L336 HydrophobicContact CB-CD1 4.5Å; Q262-L336 WeakPolarHBondContact O-CB 3.45Å; Q262-L336 PolarHBondContact O-N 3.45Å; V269-L336 HydrophobicContact CB-CD1 4.06Å; V269-L336 HydrophobicContact CG2-CD1 4.17Å; C272-L336 HydrophobicContact CB-CD1 3.88Å; C272-L336 HydrophobicContact CB-CD2 4.32Å; V334-L336 HydrophobicContact CG1-CD2 4.09Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 2.76Å
337D93.6Very high80Confident60 Ų6054.3 Ų54.332%0.32131%0.311SS..THydrogen-bonded Turntrans-73.1-27-178.4-70.2-1.2000112.5S263 R264 D335S263-D337 WeakPolarHBondContact CA-OD1 3.19Å; S263-D337 WeakPolarHBondContact CB-OD1 3.41Å; S263-D337 PolarHBondContact OG-OD1 2.92Å; R264-D337 WeakPolarHBondContact CB-OD2 3.38Å; R264-D337 WeakPolarHBondContact CG-OD2 3.36Å; R264-D337 IonicContact CZ-OD2 3.71Å; R264-D337 PolarHBondContact N-OD1 3.48Å; R264-D337 PolarHBondContact N-OD2 3.16Å; R264-D337 IonicContact NE-OD2 2.72Å; R264-D337 PolarHBondContact NE-OD2 3.25Å; R264-D337 IonicContact NH2-OD2 2.79Å; D335-D337 VanDerWaalsContact C-N 3.27Å; D335-D337 PolarHBondContact O-N 2.96Å; D335-D337 PolarHBondContact OD1-N 3.35Å
338S93.8Very high79Confident48 Ų4852.4 Ų52.434%0.33630%0.301SS..THydrogen-bonded Turntrans-108.64.2177.371.50000113.8D335 L336 K340D335-S338 PolarHBondContact O-N 3.34Å; D335-S338 VanDerWaalsContact OD2-CB 3.31Å; D335-S338 WeakPolarHBondContact OD2-CB 3.48Å; D335-S338 PolarHBondContact OD2-OG 3.48Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 2.76Å; S338-K340 VanDerWaalsContact C-N 3.26Å; S338-K340 WeakPolarHBondContact O-CG 3.28Å; S338-K340 PolarHBondContact O-N 3.17Å
339S92.3Very high77.8Confident71 Ų7156 Ų5650%0.49731%0.314SS..THydrogen-bonded Turntrans54.538-177.1-52.60000113.3L240 D335L240-S339 WeakPolarHBondContact O-CB 3.36Å; L240-S339 PolarHBondContact O-OG 3.31Å; D335-S339 PolarHBondContact O-N 3.41Å
340K89Confident76.5Confident122 Ų12253.2 Ų53.253%0.5330%0.297SS..EExtended strand (participates in β ladder)trans-119.8141-174.9-75.4175.9-174176.90112.9D335 S338 L342D335-K340 PolarHBondContact N-O 3.2Å; D335-K340 PolarHBondContact O-N 3.36Å; S338-K340 VanDerWaalsContact C-N 3.26Å; S338-K340 WeakPolarHBondContact O-CG 3.28Å; S338-K340 PolarHBondContact O-N 3.17Å; K340-L342 HydrophobicContact CB-CD2 4.49Å; K340-L342 HydrophobicContact CB-CG 4.46Å
341V87.4Confident74.9Confident26 Ų2650.5 Ų50.516%0.15828%0.282CS..EExtended strand (participates in β ladder)trans-109.4109.8168.2-176.30000107.8T248 V249 V332 V334 I344T248-V341 HydrophobicContact CG2-CG1 4.19Å; V249-V341 HydrophobicContact CG2-CG2 4Å; V332-V341 HydrophobicContact CG1-CG1 3.67Å; V334-V341 HydrophobicContact CG1-CG2 4.33Å; V334-V341 HydrophobicContact CG2-CG1 4.29Å; V334-V341 HydrophobicContact CG2-CG2 4.37Å; V341-I344 HydrophobicContact CB-CD1 4.31Å; V341-I344 HydrophobicContact CG1-CD1 4.09Å; V341-I344 HydrophobicContact CG1-CG1 4.19Å
342L79.1Confident73Confident82 Ų8252.2 Ų52.243%0.42929%0.291SS..EExtended strand (participates in β ladder)trans-100.8145.8-176.1-60.1170.7000110L333 K340L333-L342 HydrophobicContact CB-CB 4.35Å; L333-L342 HydrophobicContact CD2-CD1 4.31Å; L333-L342 PolarHBondContact N-O 3.21Å; L333-L342 PolarHBondContact O-N 3.17Å; K340-L342 HydrophobicContact CB-CD2 4.49Å; K340-L342 HydrophobicContact CB-CG 4.46Å
343A61.1Low71.2Confident57 Ų5763 Ų6347%0.47133%0.331SS..  trans70.568.6-176.600000115.1
344I55.3Low69.2Low48 Ų4864.6 Ų64.625%0.24634%0.34CS..  trans-105.7111.2175-54.7178.7000109T248 V341 Q348 K349T248-I344 HydrophobicContact CG2-CD1 4.07Å; V341-I344 HydrophobicContact CB-CD1 4.31Å; V341-I344 HydrophobicContact CG1-CD1 4.09Å; V341-I344 HydrophobicContact CG1-CG1 4.19Å; I344-Q348 VanDerWaalsContact CA-OE1 3.27Å; I344-Q348 HydrophobicContact CG2-CB 3.31Å; I344-Q348 HydrophobicContact CG2-CG 4.45Å; I344-K349 HydrophobicContact CG2-CG 4.26Å
345N58.4Low67Low96 Ų9666.3 Ų66.351%0.51335%0.351SS..  trans-62.5155173.7-72.1-17000110.5A347 Q348 K349N345-A347 PolarHBondContact O-N 2.89Å; N345-A347 VanDerWaalsContact O-N 3.11Å; N345-Q348 WeakPolarHBondContact O-CA 3.19Å; N345-Q348 WeakPolarHBondContact O-CB 3.47Å; N345-Q348 PolarHBondContact O-N 2.68Å; N345-K349 PolarHBondContact O-N 3.11Å
346E52.3Low64.8Low133 Ų13367.5 Ų67.562%0.62136%0.357SS*.Hα-helixtrans-53.6-33.9178.7-83.8-69140.800113.4Q348 K349 T350E346-Q348 PolarHBondContact O-N 3.13Å; E346-K349 PolarHBondContact O-N 2.87Å; E346-K349 WeakPolarHBondContact OE1-CD 3.47Å; E346-K349 WeakPolarHBondContact OE1-CE 3.21Å; E346-K349 IonicContact OE1-NZ 3.51Å; E346-K349 PolarHBondContact OE1-NZ 3.35Å; E346-T350 PolarHBondContact O-N 3.47Å; E346-T350 PolarHBondContact O-OG1 2.72Å
347A49.7Very low62.4Low56 Ų5674.1 Ų74.146%0.46340%0.397SS..Hα-helixtrans-57-37.7173.600000112.3N345 T350N345-A347 PolarHBondContact O-N 2.89Å; N345-A347 VanDerWaalsContact O-N 3.11Å; A347-T350 WeakPolarHBondContact O-CB 3.49Å; A347-T350 PolarHBondContact O-N 2.9Å
348Q52.2Low60.3Low10 Ų1075.4 Ų75.45%0.04740%0.398CS..Hα-helixtrans-81.2-24.2-179.4-65.1166.6-25.300113I344 N345 E346 T350 I351 L352I344-Q348 VanDerWaalsContact CA-OE1 3.27Å; I344-Q348 HydrophobicContact CG2-CB 3.31Å; I344-Q348 HydrophobicContact CG2-CG 4.45Å; N345-Q348 WeakPolarHBondContact O-CA 3.19Å; N345-Q348 WeakPolarHBondContact O-CB 3.47Å; N345-Q348 PolarHBondContact O-N 2.68Å; E346-Q348 PolarHBondContact O-N 3.13Å; Q348-T350 PolarHBondContact O-N 3.22Å; Q348-I351 HydrophobicContact CB-CD1 4.27Å; Q348-I351 HydrophobicContact CG-CD1 4.15Å; Q348-I351 VanDerWaalsContact O-CB 3.31Å; Q348-I351 WeakPolarHBondContact O-CB 3.43Å; Q348-I351 PolarHBondContact O-N 2.69Å; Q348-I351 VanDerWaalsContact O-N 3.17Å; Q348-L352 PolarHBondContact O-N 3.34Å
349K52.5Low57.9Low106 Ų10680.3 Ų80.346%0.46142%0.421SS..Hα-helixtrans-64.4-28.7168.6-69.8-175.7-172.3167.80112.7I344 N345 E346 I351 L352I344-K349 HydrophobicContact CG2-CG 4.26Å; N345-K349 PolarHBondContact O-N 3.11Å; E346-K349 PolarHBondContact O-N 2.87Å; E346-K349 WeakPolarHBondContact OE1-CD 3.47Å; E346-K349 WeakPolarHBondContact OE1-CE 3.21Å; E346-K349 IonicContact OE1-NZ 3.51Å; E346-K349 PolarHBondContact OE1-NZ 3.35Å; K349-I351 VanDerWaalsContact C-N 3.33Å; K349-L352 WeakPolarHBondContact O-CB 3.48Å; K349-L352 PolarHBondContact O-N 3.41Å
350T51.4Low55.7Low71 Ų7181.5 Ų81.544%0.43643%0.429SS..Hα-helixtrans-70.2-34.4175.1-50.30000111E346 A347 Q348 L352 R353E346-T350 PolarHBondContact O-N 3.47Å; E346-T350 PolarHBondContact O-OG1 2.72Å; A347-T350 WeakPolarHBondContact O-CB 3.49Å; A347-T350 PolarHBondContact O-N 2.9Å; Q348-T350 PolarHBondContact O-N 3.22Å; T350-L352 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3Å; T350-R353 PolarHBondContact O-N 2.81Å
351I50.6Low53.7Low11 Ų1177.3 Ų77.36%0.05642%0.415CS..Hα-helixtrans-63.7-38.6176.4-58.2173.3000111.2L251 L255 Q348 K349 R353 I354 F413L251-I351 HydrophobicContact CB-CG2 3.74Å; L251-I351 HydrophobicContact CD1-CG2 3.33Å; L251-I351 HydrophobicContact CD2-CG2 4.26Å; L251-I351 HydrophobicContact CG-CG2 3.94Å; L255-I351 HydrophobicContact CD1-CD1 3.31Å; Q348-I351 HydrophobicContact CB-CD1 4.27Å; Q348-I351 HydrophobicContact CG-CD1 4.15Å; Q348-I351 VanDerWaalsContact O-CB 3.31Å; Q348-I351 WeakPolarHBondContact O-CB 3.43Å; Q348-I351 PolarHBondContact O-N 2.69Å; Q348-I351 VanDerWaalsContact O-N 3.17Å; K349-I351 VanDerWaalsContact C-N 3.33Å; I351-R353 PolarHBondContact O-N 3.46Å; I351-R353 VanDerWaalsContact O-N 3.15Å; I351-I354 WeakPolarHBondContact O-CB 3.36Å; I351-I354 PolarHBondContact O-N 2.84Å; I351-F413 HydrophobicContact CD1-CD2 3.77Å; I351-F413 HydrophobicContact CD1-CE2 4.49Å; I351-F413 HydrophobicContact CG1-CB 4.12Å; I351-F413 HydrophobicContact CG1-CD2 3.89Å; I351-F413 HydrophobicContact CG1-CG 4.33Å; I351-F413 HydrophobicContact CG2-CD2 4.16Å; I351-F413 HydrophobicContact CG2-CE2 4.48Å
352L48.9Very low52.1Low40 Ų4080 Ų8021%0.20943%0.427CS..Hα-helixtrans-57.5-26.6176.3-84.2171.1000113.7Q244 T248 Q348 K349 T350 I354Q244-L352 HydrophobicContact CG-CD2 3.62Å; T248-L352 WeakPolarHBondContact OG1-CD2 3.42Å; Q348-L352 PolarHBondContact O-N 3.34Å; K349-L352 WeakPolarHBondContact O-CB 3.48Å; K349-L352 PolarHBondContact O-N 3.41Å; T350-L352 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3Å; L352-I354 PolarHBondContact O-N 3.41Å
353R51.5Low51.5Low228 Ų22877.1 Ų77.186%0.8641%0.414SS*.THydrogen-bonded Turntrans-74.7-13.2175.9-68.8-175.2175.7179.1-1.1113.5T350 I351T350-R353 PolarHBondContact O-N 2.81Å; I351-R353 PolarHBondContact O-N 3.46Å; I351-R353 VanDerWaalsContact O-N 3.15Å
354I51.2Low52.1Low62 Ų6278 Ų7832%0.31841%0.405SS..THydrogen-bonded Turntrans-89.6-20.1-177.5-56.3175.8000111.5I351 L352 M356 F371 F413I351-I354 WeakPolarHBondContact O-CB 3.36Å; I351-I354 PolarHBondContact O-N 2.84Å; L352-I354 PolarHBondContact O-N 3.41Å; I354-M356 PolarHBondContact O-N 3.2Å; I354-M356 VanDerWaalsContact O-N 3.1Å; I354-F371 HydrophobicContact CG2-CE2 4.39Å; I354-F413 HydrophobicContact CD1-CB 4.28Å
355S47.1Very low52.9Low35 Ų3576.1 Ų76.125%0.24540%0.395CS..  trans-7494.6172.4-840000110.2F247F247-S355 WeakPolarHBondContact CB-OG 3Å
356M49.1Very low53.4Low52 Ų5272 Ų7226%0.25637%0.373SS..  92.1101.876.7-88.1-164.812900113.2F247 I354 Y358 F371F247-M356 HydrophobicContact CE1-SD 4.08Å; F247-M356 HydrophobicContact CZ-SD 4.06Å; I354-M356 PolarHBondContact O-N 3.2Å; I354-M356 VanDerWaalsContact O-N 3.1Å; M356-Y358 HydrophobicContact CB-CD2 3.85Å; M356-Y358 HydrophobicContact CE-CD1 4.39Å; M356-Y358 HydrophobicContact CE-CD2 3.16Å; M356-Y358 HydrophobicContact CE-CE1 4.33Å; M356-Y358 HydrophobicContact CE-CE2 3.1Å; M356-Y358 HydrophobicContact CE-CG 3.85Å; M356-Y358 HydrophobicContact CG-CD2 3.65Å; M356-Y358 HydrophobicContact CG-CE2 4.15Å; M356-Y358 PolarHBondContact O-N 3.38Å; M356-Y358 HydrophobicContact SD-CD2 3.79Å; M356-Y358 HydrophobicContact SD-CE2 4.27Å; M356-Y358 HydrophobicContact SD-CG 4.37Å; M356-F371 HydrophobicContact CE-CB 3.6Å; M356-F371 HydrophobicContact CE-CD2 3.71Å; M356-F371 HydrophobicContact CE-CG 4.13Å; M356-F371 HydrophobicContact CG-CD2 4.38Å; M356-F371 HydrophobicContact SD-CB 3.97Å; M356-F371 HydrophobicContact SD-CD2 3.59Å; M356-F371 VanDerWaalsContact SD-CD2 3.59Å; M356-F371 HydrophobicContact SD-CG 4.12Å
357V44.9Very low54.5Low142 Ų14265.7 Ų65.786%0.86134%0.344SS*.SBendtrans-67.669.9156.6-177.60000108.2
358Y47.8Very low55.7Low87 Ų8763 Ų6334%0.34132%0.322SS..  trans-140.463.1177-76.8-93.2000110.2M356 S360 T367M356-Y358 HydrophobicContact CB-CD2 3.85Å; M356-Y358 HydrophobicContact CE-CD1 4.39Å; M356-Y358 HydrophobicContact CE-CD2 3.16Å; M356-Y358 HydrophobicContact CE-CE1 4.33Å; M356-Y358 HydrophobicContact CE-CE2 3.1Å; M356-Y358 HydrophobicContact CE-CG 3.85Å; M356-Y358 HydrophobicContact CG-CD2 3.65Å; M356-Y358 HydrophobicContact CG-CE2 4.15Å; M356-Y358 PolarHBondContact O-N 3.38Å; M356-Y358 HydrophobicContact SD-CD2 3.79Å; M356-Y358 HydrophobicContact SD-CE2 4.27Å; M356-Y358 HydrophobicContact SD-CG 4.37Å; Y358-S360 VanDerWaalsContact C-N 3.33Å; Y358-T367 HydrophobicContact CD1-CG2 4.09Å; Y358-T367 HydrophobicContact CG-CG2 4Å
359N44.8Very low56.8Low152 Ų15263.3 Ų63.381%0.81332%0.324SS*.  trans-87.6-0.8169.9-96.5-11.3000113.1
360S45.3Very low57.8Low96 Ų9662.2 Ų62.267%0.67132%0.317SS*.  trans-114.69.6-160.9-40.40000115.4Y358Y358-S360 VanDerWaalsContact C-N 3.33Å
361C46.8Very low59Low34 Ų3459.1 Ų59.123%0.2330%0.298CS..  trans-100.2129.7-178.1-72.90000111.7S363 T367C361-S363 PolarHBondContact O-N 2.98Å; C361-T367 WeakPolarHBondContact CB-OG1 3.31Å
362I53.5Low60.3Low81 Ų8158.8 Ų58.842%0.41530%0.296SS..SBendtrans-56.6-27.4175.8-84.3160.1000112.8Y499 L505I362-Y499 HydrophobicContact CG2-CE1 4.33Å; I362-Y499 HydrophobicContact CG2-CE2 4.28Å; I362-Y499 WeakPolarHBondContact CG2-OH 3.09Å; I362-Y499 WeakPolarHBondContact O-CE2 3.34Å; I362-L505 HydrophobicContact CD1-CD1 4.18Å
363S67.7Low61.5Low23 Ų2360.6 Ų60.616%0.16131%0.306CS..  trans-129.5122.3-178173.60000111.9C361 L365 L366 T367C361-S363 PolarHBondContact O-N 2.98Å; S363-L365 VanDerWaalsContact C-N 3.26Å; S363-L365 PolarHBondContact O-N 3.4Å; S363-L365 PolarHBondContact OG-N 2.71Å; S363-L366 WeakPolarHBondContact O-CB 3.17Å; S363-L366 PolarHBondContact O-N 2.63Å; S363-T367 PolarHBondContact O-N 3.24Å; S363-T367 PolarHBondContact O-OG1 2.82Å
364W73.5Confident62.8Low76 Ų7651 Ų5129%0.28827%0.273SS..Hα-helixtrans-60.4-34.3175.1-68114000113.3F238 A243 T367 V368F238-W364 HydrophobicContact CB-CD2 4.27Å; F238-W364 HydrophobicContact CB-CZ2 4.06Å; F238-W364 AromaticContact CD1-CD2 3.61Å; F238-W364 HydrophobicContact CD1-CD2 3.61Å; F238-W364 AromaticContact CD1-CE2 3.91Å; F238-W364 AromaticContact CD1-CE3 3.53Å; F238-W364 HydrophobicContact CD1-CE3 3.53Å; F238-W364 HydrophobicContact CD1-CG 4.22Å; F238-W364 HydrophobicContact CD1-CH2 4.12Å; F238-W364 HydrophobicContact CD1-CZ2 4.17Å; F238-W364 AromaticContact CD1-CZ3 3.81Å; F238-W364 HydrophobicContact CD1-CZ3 3.81Å; F238-W364 HydrophobicContact CD2-CB 3.95Å; F238-W364 AromaticContact CD2-CD1 3.7Å; F238-W364 AromaticContact CD2-CD2 3.83Å; F238-W364 HydrophobicContact CD2-CD2 3.83Å; F238-W364 HydrophobicContact CD2-CE3 4.47Å; F238-W364 AromaticContact CD2-CG 3.55Å; F238-W364 HydrophobicContact CD2-CG 3.55Å; F238-W364 HydrophobicContact CE1-CB 4.48Å; F238-W364 AromaticContact CE1-CD2 3.81Å; F238-W364 HydrophobicContact CE1-CD2 3.81Å; F238-W364 AromaticContact CE1-CE3 3.45Å; F238-W364 HydrophobicContact CE1-CE3 3.45Å; F238-W364 VanDerWaalsContact CE1-CE3 3.45Å; F238-W364 HydrophobicContact CE1-CG 4.27Å; F238-W364 AromaticContact CE1-CZ3 3.98Å; F238-W364 HydrophobicContact CE1-CZ3 3.98Å; F238-W364 HydrophobicContact CE2-CB 3.46Å; F238-W364 VanDerWaalsContact CE2-CB 3.46Å; F238-W364 AromaticContact CE2-CD2 3.99Å; F238-W364 HydrophobicContact CE2-CD2 3.99Å; F238-W364 HydrophobicContact CE2-CE3 4.39Å; F238-W364 AromaticContact CE2-CG 3.58Å; F238-W364 HydrophobicContact CE2-CG 3.58Å; F238-W364 AromaticContact CG-CD2 3.63Å; F238-W364 HydrophobicContact CG-CD2 3.63Å; F238-W364 AromaticContact CG-CE2 3.69Å; F238-W364 HydrophobicContact CG-CE3 4.07Å; F238-W364 AromaticContact CG-CG 3.88Å; F238-W364 HydrophobicContact CG-CG 3.88Å; F238-W364 HydrophobicContact CG-CZ2 4.21Å; F238-W364 AromaticContact CG-NE1 3.91Å; F238-W364 HydrophobicContact CZ-CB 3.78Å; F238-W364 AromaticContact CZ-CD2 3.99Å; F238-W364 HydrophobicContact CZ-CD2 3.99Å; F238-W364 AromaticContact CZ-CE3 3.92Å; F238-W364 HydrophobicContact CZ-CE3 3.92Å; F238-W364 AromaticContact CZ-CG 3.96Å; F238-W364 HydrophobicContact CZ-CG 3.96Å; A243-W364 HydrophobicContact CB-CH2 4.21Å; A243-W364 HydrophobicContact CB-CZ3 4.37Å; W364-T367 WeakPolarHBondContact O-CB 3.42Å; W364-T367 PolarHBondContact O-N 2.79Å; W364-V368 WeakPolarHBondContact O-CG2 3.35Å; W364-V368 PolarHBondContact O-N 3.41Å; W364-V368 VanDerWaalsContact O-N 3.09Å
365L71.3Confident64Low7 Ų751.4 Ų51.44%0.03728%0.28CS..Hα-helixtrans-63.4-45176.7-175.468.8000110.8F227 Y278 L279 S363 T367 V368 V369 I444F227-L365 HydrophobicContact CD1-CD2 4.12Å; F227-L365 HydrophobicContact CE1-CD2 3.98Å; Y278-L365 HydrophobicContact CD1-CD1 4.19Å; Y278-L365 HydrophobicContact CE1-CD1 4.02Å; Y278-L365 HydrophobicContact CE1-CD2 3.87Å; L279-L365 HydrophobicContact CD2-CB 4.31Å; L279-L365 HydrophobicContact CD2-CD1 4.04Å; S363-L365 VanDerWaalsContact C-N 3.26Å; S363-L365 PolarHBondContact O-N 3.4Å; S363-L365 PolarHBondContact OG-N 2.71Å; L365-T367 VanDerWaalsContact C-N 3.27Å; L365-T367 PolarHBondContact O-N 2.85Å; L365-V368 PolarHBondContact O-N 3.37Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.47Å; L365-I444 HydrophobicContact CD2-CG2 4.02Å; L365-I444 HydrophobicContact CG-CG2 4.33Å
366L69.8Low65.6Low10 Ų1052.1 Ų52.15%0.05228%0.281CS..Hα-helixtrans-60.5-39.8176.1-177.466.9000111.3S363 V368 V369 R370 I444S363-L366 WeakPolarHBondContact O-CB 3.17Å; S363-L366 PolarHBondContact O-N 2.63Å; L366-V368 VanDerWaalsContact C-N 3.34Å; L366-V368 PolarHBondContact O-N 3.01Å; L366-V369 PolarHBondContact O-N 2.85Å; L366-R370 WeakPolarHBondContact O-CB 3.38Å; L366-R370 WeakPolarHBondContact O-CG 3.14Å; L366-R370 PolarHBondContact O-N 2.71Å; L366-I444 HydrophobicContact CB-CG2 4.32Å; L366-I444 HydrophobicContact CD1-CD1 3.39Å; L366-I444 HydrophobicContact CD1-CG2 4.44Å
367T74.1Confident67.2Low1 Ų149.8 Ų49.81%0.00627%0.27CS..Hα-helixtrans-59.3-44.3175.7-50.70000111.9F247 Y358 C361 S363 W364 L365 R370 F371F247-T367 HydrophobicContact CZ-CG2 4Å; Y358-T367 HydrophobicContact CD1-CG2 4.09Å; Y358-T367 HydrophobicContact CG-CG2 4Å; C361-T367 WeakPolarHBondContact CB-OG1 3.31Å; S363-T367 PolarHBondContact O-N 3.24Å; S363-T367 PolarHBondContact O-OG1 2.82Å; W364-T367 WeakPolarHBondContact O-CB 3.42Å; W364-T367 PolarHBondContact O-N 2.79Å; L365-T367 VanDerWaalsContact C-N 3.27Å; L365-T367 PolarHBondContact O-N 2.85Å; T367-R370 PolarHBondContact O-N 2.95Å; T367-F371 PolarHBondContact O-N 3.01Å
368V75.7Confident68.8Low0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-71-37.6179.2179.70000111.7F247 I250 L279 W364 L365 L366 R370 F371 F372F247-V368 HydrophobicContact CE1-CG2 3.97Å; F247-V368 HydrophobicContact CZ-CG2 4.1Å; I250-V368 HydrophobicContact CD1-CG2 4.19Å; L279-V368 HydrophobicContact CD2-CG2 4.2Å; L279-V368 WeakPolarHBondContact O-CG1 3.2Å; W364-V368 WeakPolarHBondContact O-CG2 3.35Å; W364-V368 PolarHBondContact O-N 3.41Å; W364-V368 VanDerWaalsContact O-N 3.09Å; L365-V368 PolarHBondContact O-N 3.37Å; L366-V368 VanDerWaalsContact C-N 3.34Å; L366-V368 PolarHBondContact O-N 3.01Å; V368-R370 PolarHBondContact O-N 3.44Å; V368-F371 VanDerWaalsContact O-CB 3.29Å; V368-F371 WeakPolarHBondContact O-CB 3.35Å; V368-F371 PolarHBondContact O-N 2.69Å; V368-F372 HydrophobicContact CG1-CD2 4.03Å; V368-F372 HydrophobicContact CG1-CE2 3.43Å; V368-F372 VanDerWaalsContact CG1-CE2 3.43Å; V368-F372 HydrophobicContact CG1-CZ 4Å; V368-F372 WeakPolarHBondContact O-CD2 3.31Å; V368-F372 PolarHBondContact O-N 3.28Å; V368-F372 VanDerWaalsContact O-N 3.08Å
369V74.6Confident70.2Confident15 Ų1539.4 Ų39.49%0.09122%0.215CC..Hα-helixtrans-59.4-47.2172.4168.80000110.7Y281 L365 L366 F371 F372 D373 W435Y281-V369 HydrophobicContact CD1-CG2 4.2Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.47Å; L366-V369 PolarHBondContact O-N 2.85Å; V369-F371 VanDerWaalsContact C-N 3.3Å; V369-F371 PolarHBondContact O-N 3.31Å; V369-F372 PolarHBondContact O-N 2.55Å; V369-D373 PolarHBondContact O-N 3.23Å; V369-W435 HydrophobicContact CB-CH2 4.38Å; V369-W435 HydrophobicContact CG1-CH2 3.84Å; V369-W435 HydrophobicContact CG1-CZ3 3.73Å; V369-W435 HydrophobicContact CG2-CH2 4.07Å
370R73.2Confident71.7Confident83 Ų8336.1 Ų36.131%0.31320%0.198SC..Hα-helixtrans-64.4-32.6175.9-74.6-179.7170.1174.1-0113L366 T367 V368 S374 D439L366-R370 WeakPolarHBondContact O-CB 3.38Å; L366-R370 WeakPolarHBondContact O-CG 3.14Å; L366-R370 PolarHBondContact O-N 2.71Å; T367-R370 PolarHBondContact O-N 2.95Å; V368-R370 PolarHBondContact O-N 3.44Å; R370-S374 PolarHBondContact O-N 2.86Å; R370-D439 IonicContact CZ-OD1 3.71Å; R370-D439 IonicContact NE-OD1 3.07Å; R370-D439 PolarHBondContact NE-OD1 3.21Å; R370-D439 VanDerWaalsContact NE-OD1 3.14Å; R370-D439 IonicContact NH2-OD1 3.93Å; R370-D439 PolarHBondContact NH2-OD1 3.27Å
371F78.1Confident73.1Confident7 Ų732.5 Ų32.53%0.03117%0.17CC..Hα-helixtrans-59.3-49.1171.4174.4-106.5000111.3L251 I354 M356 T367 V368 V369 S374 I377 F413L251-F371 HydrophobicContact CD2-CE1 3.84Å; L251-F371 HydrophobicContact CD2-CZ 3.78Å; I354-F371 HydrophobicContact CG2-CE2 4.39Å; M356-F371 HydrophobicContact CE-CB 3.6Å; M356-F371 HydrophobicContact CE-CD2 3.71Å; M356-F371 HydrophobicContact CE-CG 4.13Å; M356-F371 HydrophobicContact CG-CD2 4.38Å; M356-F371 HydrophobicContact SD-CB 3.97Å; M356-F371 HydrophobicContact SD-CD2 3.59Å; M356-F371 VanDerWaalsContact SD-CD2 3.59Å; M356-F371 HydrophobicContact SD-CG 4.12Å; T367-F371 PolarHBondContact O-N 3.01Å; V368-F371 VanDerWaalsContact O-CB 3.29Å; V368-F371 WeakPolarHBondContact O-CB 3.35Å; V368-F371 PolarHBondContact O-N 2.69Å; V369-F371 VanDerWaalsContact C-N 3.3Å; V369-F371 PolarHBondContact O-N 3.31Å; F371-S374 VanDerWaalsContact O-CB 3.3Å; F371-S374 WeakPolarHBondContact O-CB 3.31Å; F371-S374 PolarHBondContact O-N 3.18Å; F371-S374 PolarHBondContact O-OG 3.23Å; F371-I377 HydrophobicContact CD2-CG1 4.19Å; F371-I377 HydrophobicContact CE1-CD1 4.36Å; F371-I377 HydrophobicContact CE1-CG1 4.22Å; F371-I377 HydrophobicContact CE1-CG2 4.14Å; F371-I377 HydrophobicContact CE2-CD1 3.79Å; F371-I377 HydrophobicContact CE2-CG1 3.72Å; F371-I377 HydrophobicContact CZ-CD1 3.58Å; F371-I377 HydrophobicContact CZ-CG1 3.73Å; F371-I377 HydrophobicContact CZ-CG2 4.39Å; F371-I377 WeakPolarHBondContact O-CB 3.45Å; F371-I377 WeakPolarHBondContact O-CG1 3.43Å; F371-F413 HydrophobicContact CZ-CE1 4.29Å
372F77Confident74.2Confident4 Ų432.1 Ų32.12%0.01817%0.167CC..Hα-helixtrans-65.1-42.8178.5-66.7-52000112.5L254 L283 V368 V369 S374 I377 L378 G379L254-F372 HydrophobicContact CD1-CE1 3.58Å; L254-F372 HydrophobicContact CD1-CZ 3.71Å; L254-F372 HydrophobicContact CD2-CE1 3.87Å; L254-F372 HydrophobicContact CD2-CZ 3.81Å; L254-F372 HydrophobicContact CG-CE1 4.39Å; L254-F372 HydrophobicContact CG-CZ 4.33Å; L283-F372 HydrophobicContact CD1-CD1 3.93Å; L283-F372 HydrophobicContact CD1-CD2 4.24Å; L283-F372 HydrophobicContact CD1-CE1 3.4Å; L283-F372 VanDerWaalsContact CD1-CE1 3.4Å; L283-F372 HydrophobicContact CD1-CE2 3.74Å; L283-F372 HydrophobicContact CD1-CG 4.34Å; L283-F372 HydrophobicContact CD1-CZ 3.31Å; V368-F372 HydrophobicContact CG1-CD2 4.03Å; V368-F372 HydrophobicContact CG1-CE2 3.43Å; V368-F372 VanDerWaalsContact CG1-CE2 3.43Å; V368-F372 HydrophobicContact CG1-CZ 4Å; V368-F372 WeakPolarHBondContact O-CD2 3.31Å; V368-F372 PolarHBondContact O-N 3.28Å; V368-F372 VanDerWaalsContact O-N 3.08Å; V369-F372 PolarHBondContact O-N 2.55Å; F372-S374 PolarHBondContact O-N 2.93Å; F372-I377 HydrophobicContact CD1-CG2 4.21Å; F372-L378 HydrophobicContact CD1-CD1 4.41Å; F372-L378 CarbonylContact O-C 3.26Å; F372-L378 WeakPolarHBondContact O-CA 3.41Å; F372-L378 WeakPolarHBondContact O-CB 3.34Å; F372-L378 PolarHBondContact O-N 2.94Å; F372-G379 PolarHBondContact O-N 2.86Å
373D74.7Confident74.9Confident77 Ų7733.2 Ų33.241%0.41217%0.17SC..Hα-helixtrans-73-6.4179.6-159.739.5000113.4V369 G379V369-D373 PolarHBondContact O-N 3.23Å; D373-G379 WeakPolarHBondContact O-CA 3.4Å
374S78.2Confident75.3Confident26 Ų2632.3 Ų32.318%0.18216%0.163CC..SBendtrans-63.8142.8178.775.80000112.2R370 F371 F372 N376 I377 G379R370-S374 PolarHBondContact O-N 2.86Å; F371-S374 VanDerWaalsContact O-CB 3.3Å; F371-S374 WeakPolarHBondContact O-CB 3.31Å; F371-S374 PolarHBondContact O-N 3.18Å; F371-S374 PolarHBondContact O-OG 3.23Å; F372-S374 PolarHBondContact O-N 2.93Å; S374-N376 PolarHBondContact O-N 3.03Å; S374-I377 PolarHBondContact O-N 2.95Å; S374-I377 VanDerWaalsContact OG-CG1 3.3Å; S374-I377 WeakPolarHBondContact OG-CG1 3.5Å; S374-G379 WeakPolarHBondContact O-CA 3.46Å; S374-G379 PolarHBondContact O-N 3.25Å
375P77.4Confident75.4Confident71 Ų7130.1 Ų30.146%0.46116%0.157SC..THydrogen-bonded Turntrans-61.4-13.2-178.5-23.532.3000115.3R407 P408P375-R407 VanDerWaalsContact O-CD 3.3Å; P375-R407 WeakPolarHBondContact O-CD 3.25Å; P375-R407 PolarHBondContact O-NH1 3.12Å; P375-P408 HydrophobicContact CB-CG 4.46Å; P375-P408 WeakPolarHBondContact O-CD 3.25Å
376N80.2Confident75.5Confident50 Ų5031.1 Ų31.127%0.26716%0.16SC..THydrogen-bonded Turntrans-92.4-13.9176.6-83.4-32.1000113.3S374 R407 P408 L409 V414S374-N376 PolarHBondContact O-N 3.03Å; N376-R407 WeakPolarHBondContact O-CD 3.38Å; N376-P408 VanDerWaalsContact OD1-CB 3.29Å; N376-P408 WeakPolarHBondContact OD1-CB 3.46Å; N376-P408 WeakPolarHBondContact OD1-CD 3.08Å; N376-P408 WeakPolarHBondContact OD1-CG 3.31Å; N376-L409 PolarHBondContact OD1-N 3.1Å; N376-V414 VanDerWaalsContact O-CG2 3.28Å; N376-V414 WeakPolarHBondContact O-CG2 3.1Å
377I81.7Confident75.7Confident4 Ų433.4 Ų33.42%0.02117%0.174CC..THydrogen-bonded Turntrans-108.5-87.5-176.2-55.3-61.8000110F371 F372 S374 F413 V414 L417F371-I377 HydrophobicContact CD2-CG1 4.19Å; F371-I377 HydrophobicContact CE1-CD1 4.36Å; F371-I377 HydrophobicContact CE1-CG1 4.22Å; F371-I377 HydrophobicContact CE1-CG2 4.14Å; F371-I377 HydrophobicContact CE2-CD1 3.79Å; F371-I377 HydrophobicContact CE2-CG1 3.72Å; F371-I377 HydrophobicContact CZ-CD1 3.58Å; F371-I377 HydrophobicContact CZ-CG1 3.73Å; F371-I377 HydrophobicContact CZ-CG2 4.39Å; F371-I377 WeakPolarHBondContact O-CB 3.45Å; F371-I377 WeakPolarHBondContact O-CG1 3.43Å; F372-I377 HydrophobicContact CD1-CG2 4.21Å; S374-I377 PolarHBondContact O-N 2.95Å; S374-I377 VanDerWaalsContact OG-CG1 3.3Å; S374-I377 WeakPolarHBondContact OG-CG1 3.5Å; I377-F413 HydrophobicContact CD1-CD1 4.23Å; I377-F413 HydrophobicContact CD1-CE1 3.97Å; I377-V414 HydrophobicContact CD1-CG2 4.12Å; I377-L417 HydrophobicContact CG2-CD2 4.03Å
378L79.7Confident75.7Confident9 Ų933.7 Ų33.75%0.04718%0.176CC..THydrogen-bonded Turntrans-117-5.5176.9-61.9172.5000112.7F372 N380 F381 L418F372-L378 HydrophobicContact CD1-CD1 4.41Å; F372-L378 CarbonylContact O-C 3.26Å; F372-L378 WeakPolarHBondContact O-CA 3.41Å; F372-L378 WeakPolarHBondContact O-CB 3.34Å; F372-L378 PolarHBondContact O-N 2.94Å; L378-N380 PolarHBondContact O-N 3.26Å; L378-F381 HydrophobicContact CB-CD1 4.26Å; L378-F381 VanDerWaalsContact O-CB 3.23Å; L378-F381 WeakPolarHBondContact O-CB 3.5Å; L378-F381 WeakPolarHBondContact O-CD1 3.27Å; L378-F381 PolarHBondContact O-N 3.5Å; L378-F381 VanDerWaalsContact O-N 3.1Å; L378-L418 HydrophobicContact CD2-CD2 4.08Å
379G77.5Confident75.7Confident1 Ų134.1 Ų34.11%0.0118%0.178CC..THydrogen-bonded Turntrans-50.3139.4-179.700000114.3F372 D373 S374 F381 R407F372-G379 PolarHBondContact O-N 2.86Å; D373-G379 WeakPolarHBondContact O-CA 3.4Å; S374-G379 WeakPolarHBondContact O-CA 3.46Å; S374-G379 PolarHBondContact O-N 3.25Å; G379-F381 PolarHBondContact O-N 3.37Å; G379-F381 VanDerWaalsContact O-N 3.17Å; G379-R407 VanDerWaalsContact O-CZ 3.27Å; G379-R407 PolarHBondContact O-NH1 3.17Å; G379-R407 PolarHBondContact O-NH2 3.19Å
380N74.8Confident75.4Confident84 Ų8434.3 Ų34.345%0.44918%0.178SC..THydrogen-bonded Turntrans58.618-177.2-55.7-28.1000115.5L378 V382 E383L378-N380 PolarHBondContact O-N 3.26Å; N380-V382 PolarHBondContact O-N 2.86Å; N380-E383 PolarHBondContact O-N 3.48Å
381F74.7Confident75Confident19 Ų1930.8 Ų30.88%0.08317%0.165CC..G310 helixtrans-57.5-23.2-178.872.9-103.7000114.6L378 G379 E383 H384 I385 L398 I426 F427 F432L378-F381 HydrophobicContact CB-CD1 4.26Å; L378-F381 VanDerWaalsContact O-CB 3.23Å; L378-F381 WeakPolarHBondContact O-CB 3.5Å; L378-F381 WeakPolarHBondContact O-CD1 3.27Å; L378-F381 PolarHBondContact O-N 3.5Å; L378-F381 VanDerWaalsContact O-N 3.1Å; G379-F381 PolarHBondContact O-N 3.37Å; G379-F381 VanDerWaalsContact O-N 3.17Å; F381-E383 PolarHBondContact O-N 3.08Å; F381-H384 WeakPolarHBondContact O-CA 3.34Å; F381-H384 WeakPolarHBondContact O-CB 3.2Å; F381-H384 PolarHBondContact O-N 3.29Å; F381-I385 HydrophobicContact CD2-CD1 3.7Å; F381-I385 HydrophobicContact CD2-CG1 4.01Å; F381-I385 HydrophobicContact CE2-CD1 3.52Å; F381-I385 HydrophobicContact CE2-CG1 4.28Å; F381-L398 HydrophobicContact CD2-CD1 4.31Å; F381-I426 HydrophobicContact CZ-CG2 4.25Å; F381-F427 HydrophobicContact CD2-CD1 4.05Å; F381-F427 AromaticContact CD2-CE1 3.3Å; F381-F427 HydrophobicContact CD2-CE1 3.3Å; F381-F427 HydrophobicContact CD2-CZ 4.24Å; F381-F427 AromaticContact CE2-CD1 3.63Å; F381-F427 HydrophobicContact CE2-CD1 3.63Å; F381-F427 AromaticContact CE2-CE1 3.16Å; F381-F427 HydrophobicContact CE2-CE1 3.16Å; F381-F427 HydrophobicContact CE2-CZ 4.17Å; F381-F427 AromaticContact CG-CE1 4Å; F381-F427 HydrophobicContact CG-CE1 4Å; F381-F427 HydrophobicContact CZ-CD1 4.38Å; F381-F427 AromaticContact CZ-CE1 3.81Å; F381-F427 HydrophobicContact CZ-CE1 3.81Å; F381-F427 HydrophobicContact CZ-CZ 4.48Å; F381-F432 HydrophobicContact CD1-CE2 4.32Å; F381-F432 AromaticContact CE1-CD2 3.79Å; F381-F432 HydrophobicContact CE1-CD2 3.79Å; F381-F432 AromaticContact CE1-CE2 3.45Å; F381-F432 HydrophobicContact CE1-CE2 3.45Å; F381-F432 VanDerWaalsContact CE1-CE2 3.45Å; F381-F432 AromaticContact CE2-CD2 3.67Å; F381-F432 HydrophobicContact CE2-CD2 3.67Å; F381-F432 AromaticContact CE2-CE2 3.79Å; F381-F432 HydrophobicContact CE2-CE2 3.79Å; F381-F432 HydrophobicContact CE2-CG 4.41Å; F381-F432 AromaticContact CZ-CD2 3.09Å; F381-F432 HydrophobicContact CZ-CD2 3.09Å; F381-F432 AromaticContact CZ-CE2 3.21Å; F381-F432 HydrophobicContact CZ-CE2 3.21Å; F381-F432 HydrophobicContact CZ-CG 4.17Å; F381-F432 HydrophobicContact CZ-CZ 4.38Å
382V70.6Confident74.1Confident26 Ų2633 Ų3316%0.15818%0.18CC..G310 helixtrans-55.2-35.4-177-159.70000112.4N380 H384 I385 F432 L624N380-V382 PolarHBondContact O-N 2.86Å; V382-H384 PolarHBondContact O-N 2.96Å; V382-H384 VanDerWaalsContact O-N 3.1Å; V382-I385 HydrophobicContact CG1-CD1 4.32Å; V382-I385 PolarHBondContact O-N 3.16Å; V382-F432 HydrophobicContact CB-CE1 4.25Å; V382-F432 HydrophobicContact CB-CZ 4.2Å; V382-F432 HydrophobicContact CG1-CD1 4.47Å; V382-F432 HydrophobicContact CG1-CE1 3.77Å; V382-F432 HydrophobicContact CG1-CZ 4.24Å; V382-F432 HydrophobicContact CG2-CD1 4.49Å; V382-F432 HydrophobicContact CG2-CE1 3.41Å; V382-F432 VanDerWaalsContact CG2-CE1 3.41Å; V382-F432 HydrophobicContact CG2-CE2 3.71Å; V382-F432 HydrophobicContact CG2-CZ 2.97Å; V382-L624 HydrophobicContact CG1-CD1 4.05Å
383E68.7Low73.2Confident105 Ų10540.5 Ų40.549%0.49121%0.208SC..G310 helixtrans-60.8-21.2178.2-61.5-178-178.100112.1N380 F381 R386N380-E383 PolarHBondContact O-N 3.48Å; F381-E383 PolarHBondContact O-N 3.08Å; E383-R386 PolarHBondContact O-NH1 3.4Å; E383-R386 VanDerWaalsContact O-NH1 3.13Å
384H76.9Confident72.6Confident3 Ų338.8 Ų38.81%0.01420%0.201CC..G310 helixtrans-104.79.1-177.6-48.9-80.1000113F381 V382 L398 L399 S402 V403 S406F381-H384 WeakPolarHBondContact O-CA 3.34Å; F381-H384 WeakPolarHBondContact O-CB 3.2Å; F381-H384 PolarHBondContact O-N 3.29Å; V382-H384 PolarHBondContact O-N 2.96Å; V382-H384 VanDerWaalsContact O-N 3.1Å; H384-L398 HydrophobicContact CB-CD1 4.33Å; H384-L399 HydrophobicContact CB-CB 4.32Å; H384-L399 WeakPolarHBondContact O-CB 3.31Å; H384-L399 WeakPolarHBondContact O-CG 3.41Å; H384-L399 PolarHBondContact O-N 3.44Å; H384-S402 PolarHBondContact CE1-O 3.14Å; H384-S402 PolarHBondContact CE1-OG 2.87Å; H384-S402 WeakPolarHBondContact ND1-CB 3.42Å; H384-S402 PolarHBondContact ND1-OG 3.34Å; H384-V403 HydrophobicContact CB-CG2 3.39Å; H384-S406 VanDerWaalsContact CE1-CB 3.48Å; H384-S406 WeakPolarHBondContact CE1-CB 3.38Å; H384-S406 PolarHBondContact NE2-OG 3.17Å
385I75.6Confident72.1Confident30 Ų3039.1 Ų39.115%0.15420%0.202CC..EExtended strand (participates in β ladder)trans-88.6143.7173.5-57.8176.3000109.7F381 V382 V396 A397 L398 F427F381-I385 HydrophobicContact CD2-CD1 3.7Å; F381-I385 HydrophobicContact CD2-CG1 4.01Å; F381-I385 HydrophobicContact CE2-CD1 3.52Å; F381-I385 HydrophobicContact CE2-CG1 4.28Å; V382-I385 HydrophobicContact CG1-CD1 4.32Å; V382-I385 PolarHBondContact O-N 3.16Å; I385-V396 HydrophobicContact CG2-CB 3.69Å; I385-V396 HydrophobicContact CG2-CG1 4.07Å; I385-V396 HydrophobicContact CG2-CG2 4.29Å; I385-A397 CarbonylContact C-O 3.56Å; I385-A397 WeakPolarHBondContact CA-O 3.4Å; I385-L398 HydrophobicContact CG1-CD1 4.04Å; I385-F427 HydrophobicContact CD1-CD1 4.4Å
386R72.9Confident71.8Confident28 Ų2836.9 Ų36.911%0.10619%0.187CC..EExtended strand (participates in β ladder)trans-127.2135.1169.4-65.2-65.8-179.4-84-3.6110.4E383 M388 V396 A397 L399 Y806 D807E383-R386 PolarHBondContact O-NH1 3.4Å; E383-R386 VanDerWaalsContact O-NH1 3.13Å; R386-M388 PolarHBondContact O-N 3.03Å; R386-V396 CarbonylContact O-C 3.6Å; R386-V396 VanDerWaalsContact O-CA 3.31Å; R386-V396 WeakPolarHBondContact O-CA 3.33Å; R386-A397 PolarHBondContact N-O 2.78Å; R386-A397 PolarHBondContact O-N 3.35Å; R386-L399 HydrophobicContact CG-CD1 3.96Å; R386-L399 HydrophobicContact CG-CG 4.22Å; R386-Y806 HydrophobicContact CB-CD1 4.4Å; R386-Y806 HydrophobicContact CB-CD2 4.01Å; R386-Y806 HydrophobicContact CB-CG 3.81Å; R386-Y806 HydrophobicContact CG-CD2 3.97Å; R386-Y806 HydrophobicContact CG-CG 4.06Å; R386-D807 IonicContact NE-OD1 3.4Å; R386-D807 PolarHBondContact NE-OD1 3.25Å
387V74.6Confident71.4Confident58 Ų5835 Ų3535%0.35218%0.178SC..EExtended strand (participates in β ladder)trans-83.8110.3176.2-175.60000108.7R389 L390 V396 R813V387-R389 WeakPolarHBondContact CG1-O 3.44Å; V387-L390 HydrophobicContact CG1-CD2 3.74Å; V387-L390 HydrophobicContact CG1-CG 4.07Å; V387-V396 HydrophobicContact CG2-CG1 4.17Å; V387-R813 PolarHBondContact O-NH1 3.37Å
388M74Confident71.1Confident7 Ų736.2 Ų36.23%0.03419%0.185CC..EExtended strand (participates in β ladder)trans-81.3-31.1177.7-68.4-170.9-64.900112.9R386 V395 A397 Y806 R813 L842 K873 T874R386-M388 PolarHBondContact O-N 3.03Å; M388-V395 WeakPolarHBondContact CA-O 3.41Å; M388-V395 HydrophobicContact CE-CG1 3.55Å; M388-V395 PolarHBondContact N-O 3Å; M388-A397 HydrophobicContact CE-CB 3.91Å; M388-A397 HydrophobicContact CG-CB 3.92Å; M388-A397 HydrophobicContact SD-CB 3.78Å; M388-Y806 HydrophobicContact CG-CD1 3.81Å; M388-Y806 HydrophobicContact CG-CE1 3.41Å; M388-Y806 VanDerWaalsContact CG-CE1 3.41Å; M388-Y806 HydrophobicContact SD-CD1 4.44Å; M388-Y806 HydrophobicContact SD-CE1 3.47Å; M388-Y806 WeakPolarHBondContact SD-CE1 3.34Å; M388-R813 PolarHBondContact O-NH2 3.14Å; M388-L842 VanDerWaalsContact O-CD2 3.31Å; M388-L842 WeakPolarHBondContact O-CD2 3.34Å; M388-K873 HydrophobicContact CE-CB 3.88Å; M388-K873 HydrophobicContact CE-CD 4.39Å; M388-K873 HydrophobicContact CE-CG 4.49Å; M388-K873 HydrophobicContact SD-CB 3.9Å; M388-K873 HydrophobicContact SD-CD 4.12Å; M388-T874 HydrophobicContact CB-CG2 4.39Å
389R74.4Confident71.1Confident10 Ų1036.1 Ų36.14%0.03818%0.184CC..EExtended strand (participates in β ladder)trans-150.7147.7-178.1-179.5165.2-178.612117.1110.8V387 Y391 P394 V395 E838 D839 L842 T874 H875V387-R389 WeakPolarHBondContact CG1-O 3.44Å; R389-Y391 PolarHBondContact NE-O 3.38Å; R389-Y391 PolarHBondContact NH2-O 3.02Å; R389-P394 CarbonylContact O-C 3.46Å; R389-P394 WeakPolarHBondContact O-CA 3.43Å; R389-V395 HydrophobicContact CB-CB 3.95Å; R389-V395 HydrophobicContact CB-CG2 3.92Å; R389-V395 HydrophobicContact CG-CG2 4.47Å; R389-V395 PolarHBondContact N-O 2.96Å; R389-V395 VanDerWaalsContact N-O 3.15Å; R389-V395 PolarHBondContact O-N 3.11Å; R389-E838 WeakPolarHBondContact CA-OE1 3.15Å; R389-E838 HydrophobicContact CG-CG 4.29Å; R389-D839 IonicContact CZ-OD1 2.93Å; R389-D839 IonicContact NH1-OD1 3.79Å; R389-D839 PolarHBondContact NH1-OD1 3.11Å; R389-D839 IonicContact NH2-OD1 3.48Å; R389-D839 PolarHBondContact NH2-OD1 3.46Å; R389-L842 HydrophobicContact CB-CD1 4.47Å; R389-L842 HydrophobicContact CG-CD1 4.4Å; R389-T874 WeakPolarHBondContact CD-O 3.5Å; R389-T874 PolarHBondContact NH1-O 2.91Å; R389-H875 VanDerWaalsContact NH1-C 3.26Å; R389-H875 PolarHBondContact NH1-O 3.42Å
390L67.8Low71.3Confident18 Ų1838.6 Ų38.69%0.09420%0.199CC..  trans-109.1-42.9173.9-72.2170.9000113.7V387 R393 M818 E838V387-L390 HydrophobicContact CG1-CD2 3.74Å; V387-L390 HydrophobicContact CG1-CG 4.07Å; L390-R393 CarbonylContact O-C 3.48Å; L390-M818 WeakPolarHBondContact CD1-O 3.33Å; L390-E838 PolarHBondContact N-OE1 3Å
391Y64.8Low71.5Confident9 Ų938.6 Ų38.64%0.03520%0.199CC..SBendtrans-119.7136.7-172.1-64.3-80.1000112R389 R393 L825 L834R389-Y391 PolarHBondContact NE-O 3.38Å; R389-Y391 PolarHBondContact NH2-O 3.02Å; Y391-R393 VanDerWaalsContact C-N 3.33Å; Y391-L825 WeakPolarHBondContact OH-CD1 3.49Å; Y391-L834 HydrophobicContact CD1-CB 4.42Å; Y391-L834 HydrophobicContact CD2-CB 4.14Å; Y391-L834 HydrophobicContact CE1-CD1 4.14Å; Y391-L834 HydrophobicContact CE2-CB 4.34Å; Y391-L834 HydrophobicContact CE2-CD1 4.37Å; Y391-L834 HydrophobicContact CG-CB 4.2Å
392P59.8Low71.8Confident55 Ų5537.8 Ų37.836%0.35720%0.196SC..SBendcis-75.2-19.6427.9-35.3000113.5E835P392-E835 HydrophobicContact CB-CG 4.23Å; P392-E835 VanDerWaalsContact CB-OE1 3.26Å; P392-E835 WeakPolarHBondContact CB-OE1 3.22Å
393R58.2Low72.4Confident161 Ų16136.6 Ų36.661%0.60819%0.189SC*.SBendtrans-136.4140.1-176-67.9-174.8175.2170.4-0.3109.6E3 L390 Y391 V395E3-R393 IonicContact OE2-CZ 3.91Å; E3-R393 IonicContact OE2-NE 2.62Å; E3-R393 IonicContact OE2-NH2 2.95Å; E3-R393 PolarHBondContact OE2-NH2 3.17Å; L390-R393 CarbonylContact O-C 3.48Å; Y391-R393 VanDerWaalsContact C-N 3.33Å; R393-V395 PolarHBondContact O-N 2.76Å
394P61.7Low73.2Confident41 Ų4134.8 Ų34.827%0.26618%0.178SC..  trans-66.2128.8177.7-16.528.2000110.7R389 N430 P822R389-P394 CarbonylContact O-C 3.46Å; R389-P394 WeakPolarHBondContact O-CA 3.43Å; P394-N430 PolarHBondContact O-ND2 2.93Å; P394-P822 HydrophobicContact CG-CG 3.56Å
395V68.2Low73.6Confident33 Ų3340.1 Ų40.120%0.220%0.201CC..EExtended strand (participates in β ladder)trans-115.8124.8171.6-169.40000107.7M388 R389 R393M388-V395 WeakPolarHBondContact CA-O 3.41Å; M388-V395 HydrophobicContact CE-CG1 3.55Å; M388-V395 PolarHBondContact N-O 3Å; R389-V395 HydrophobicContact CB-CB 3.95Å; R389-V395 HydrophobicContact CB-CG2 3.92Å; R389-V395 HydrophobicContact CG-CG2 4.47Å; R389-V395 PolarHBondContact N-O 2.96Å; R389-V395 VanDerWaalsContact N-O 3.15Å; R389-V395 PolarHBondContact O-N 3.11Å; R393-V395 PolarHBondContact O-N 2.76Å
396V70.6Confident73.9Confident24 Ų2440.3 Ų40.315%0.14521%0.205CC..EExtended strand (participates in β ladder)trans-115.6150.7179.9-60.80000111.1I385 R386 V387 F427I385-V396 HydrophobicContact CG2-CB 3.69Å; I385-V396 HydrophobicContact CG2-CG1 4.07Å; I385-V396 HydrophobicContact CG2-CG2 4.29Å; R386-V396 CarbonylContact O-C 3.6Å; R386-V396 VanDerWaalsContact O-CA 3.31Å; R386-V396 WeakPolarHBondContact O-CA 3.33Å; V387-V396 HydrophobicContact CG2-CG1 4.17Å; V396-F427 HydrophobicContact CG2-CB 4.38Å; V396-F427 WeakPolarHBondContact CG2-O 3.3Å
397A72.3Confident74.5Confident10 Ų1039.6 Ų39.68%0.08320%0.202CC..EExtended strand (participates in β ladder)trans-117138.9172.100000109.5I385 R386 M388 Y806I385-A397 CarbonylContact C-O 3.56Å; I385-A397 WeakPolarHBondContact CA-O 3.4Å; R386-A397 PolarHBondContact N-O 2.78Å; R386-A397 PolarHBondContact O-N 3.35Å; M388-A397 HydrophobicContact CE-CB 3.91Å; M388-A397 HydrophobicContact CG-CB 3.92Å; M388-A397 HydrophobicContact SD-CB 3.78Å; A397-Y806 HydrophobicContact CB-CE1 4.09Å; A397-Y806 HydrophobicContact CB-CE2 4.06Å; A397-Y806 WeakPolarHBondContact CB-OH 3.28Å
398L76Confident74.9Confident29 Ų2941 Ų4115%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-94129.2168-173.570.2000109.7F381 H384 I385 T400 V403 L418 F427F381-L398 HydrophobicContact CD2-CD1 4.31Å; H384-L398 HydrophobicContact CB-CD1 4.33Å; I385-L398 HydrophobicContact CG1-CD1 4.04Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 HydrophobicContact CD2-CG2 4.11Å; L398-T400 HydrophobicContact CG-CG2 4.49Å; L398-T400 PolarHBondContact O-N 2.95Å; L398-V403 HydrophobicContact CD1-CG2 3.66Å; L398-V403 HydrophobicContact CD2-CG2 4.17Å; L398-V403 HydrophobicContact CG-CG2 3.9Å; L398-L418 HydrophobicContact CD2-CD2 4.06Å; L398-F427 HydrophobicContact CB-CD1 4.07Å; L398-F427 HydrophobicContact CB-CD2 4.39Å; L398-F427 HydrophobicContact CB-CE1 4.27Å; L398-F427 HydrophobicContact CB-CG 4.14Å; L398-F427 HydrophobicContact CD1-CD1 3.88Å; L398-F427 HydrophobicContact CD1-CE1 3.47Å; L398-F427 VanDerWaalsContact CD1-CE1 3.47Å; L398-F427 HydrophobicContact CD1-CZ 4.08Å; L398-F427 HydrophobicContact CD2-CD1 4.19Å; L398-F427 HydrophobicContact CD2-CD2 4.06Å; L398-F427 HydrophobicContact CD2-CE1 3.6Å; L398-F427 HydrophobicContact CD2-CE2 3.54Å; L398-F427 HydrophobicContact CD2-CG 4.4Å; L398-F427 HydrophobicContact CD2-CZ 3.31Å; L398-F427 HydrophobicContact CG-CD1 4.26Å; L398-F427 HydrophobicContact CG-CE1 3.96Å; L398-F427 HydrophobicContact CG-CZ 4.18Å
399L79.1Confident75.3Confident7 Ų746.5 Ų46.54%0.03724%0.242CC..  trans-80.677.8171-61178.5000109.8H384 R386 D401 S402 V403 N803 Y806H384-L399 HydrophobicContact CB-CB 4.32Å; H384-L399 WeakPolarHBondContact O-CB 3.31Å; H384-L399 WeakPolarHBondContact O-CG 3.41Å; H384-L399 PolarHBondContact O-N 3.44Å; R386-L399 HydrophobicContact CG-CD1 3.96Å; R386-L399 HydrophobicContact CG-CG 4.22Å; L399-D401 VanDerWaalsContact C-N 3.29Å; L399-D401 PolarHBondContact O-N 3.49Å; L399-S402 WeakPolarHBondContact O-CA 3.34Å; L399-S402 VanDerWaalsContact O-CB 3.3Å; L399-S402 WeakPolarHBondContact O-CB 3.2Å; L399-S402 PolarHBondContact O-N 3.37Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.26Å; L399-N803 WeakPolarHBondContact CD2-OD1 3.38Å; L399-Y806 HydrophobicContact CD2-CD2 3.73Å; L399-Y806 HydrophobicContact CD2-CE2 3.63Å
400T81.2Confident75.5Confident53 Ų5349.4 Ų49.433%0.32526%0.262SS..Hα-helixtrans-51.8-43.7-175.551.40000113.2L398 S402 V403 Y404 L418L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 HydrophobicContact CD2-CG2 4.11Å; L398-T400 HydrophobicContact CG-CG2 4.49Å; L398-T400 PolarHBondContact O-N 2.95Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.37Å; T400-V403 WeakPolarHBondContact O-CB 3.31Å; T400-V403 PolarHBondContact O-N 3.5Å; T400-Y404 WeakPolarHBondContact O-CB 3.43Å; T400-Y404 PolarHBondContact O-N 2.86Å; T400-L418 HydrophobicContact CG2-CB 4.19Å; T400-L418 WeakPolarHBondContact CG2-O 3.5Å
401D80.3Confident76Confident85 Ų8549.3 Ų49.346%0.45526%0.263SS..Hα-helixtrans-62.8-36176.5-75.8-22.7000112.8L399 K405L399-D401 VanDerWaalsContact C-N 3.29Å; L399-D401 PolarHBondContact O-N 3.49Å; D401-K405 WeakPolarHBondContact O-CB 3.12Å; D401-K405 VanDerWaalsContact O-CG 3.23Å; D401-K405 WeakPolarHBondContact O-CG 3.35Å; D401-K405 PolarHBondContact O-N 2.94Å
402S80.9Confident76.8Confident2 Ų252.6 Ų52.61%0.01429%0.285CS..Hα-helixtrans-71.8-43.5178.4-173.60000110.7H384 L399 T400 Y404 K405 S406 V727 V728H384-S402 PolarHBondContact CE1-O 3.14Å; H384-S402 PolarHBondContact CE1-OG 2.87Å; H384-S402 WeakPolarHBondContact ND1-CB 3.42Å; H384-S402 PolarHBondContact ND1-OG 3.34Å; L399-S402 WeakPolarHBondContact O-CA 3.34Å; L399-S402 VanDerWaalsContact O-CB 3.3Å; L399-S402 WeakPolarHBondContact O-CB 3.2Å; L399-S402 PolarHBondContact O-N 3.37Å; T400-S402 VanDerWaalsContact C-N 3.29Å; T400-S402 PolarHBondContact O-N 3.37Å; S402-Y404 VanDerWaalsContact C-N 3.31Å; S402-Y404 PolarHBondContact O-N 3.02Å; S402-K405 PolarHBondContact O-N 3.47Å; S402-S406 WeakPolarHBondContact O-CB 3.45Å; S402-S406 PolarHBondContact O-N 3.24Å; S402-V727 PolarHBondContact OG-O 2.89Å; S402-V728 WeakPolarHBondContact OG-CA 3.47Å
403V82.1Confident77.8Confident0 Ų050.3 Ų50.30%027%0.27CS..Hα-helixtrans-55.6-49.4172.3179.70000109.7H384 L398 L399 T400 K405 S406 R407 L418H384-V403 HydrophobicContact CB-CG2 3.39Å; L398-V403 HydrophobicContact CD1-CG2 3.66Å; L398-V403 HydrophobicContact CD2-CG2 4.17Å; L398-V403 HydrophobicContact CG-CG2 3.9Å; L399-V403 WeakPolarHBondContact O-CG2 3.42Å; L399-V403 PolarHBondContact O-N 3.26Å; T400-V403 WeakPolarHBondContact O-CB 3.31Å; T400-V403 PolarHBondContact O-N 3.5Å; V403-K405 PolarHBondContact O-N 3.14Å; V403-S406 PolarHBondContact O-N 3.04Å; V403-S406 PolarHBondContact O-OG 3.39Å; V403-R407 WeakPolarHBondContact O-CG 3.39Å; V403-R407 PolarHBondContact O-NE 2.83Å; V403-L418 HydrophobicContact CB-CD1 4.02Å; V403-L418 HydrophobicContact CB-CD2 4.28Å; V403-L418 HydrophobicContact CG1-CD1 3.85Å; V403-L418 HydrophobicContact CG1-CD2 3.76Å; V403-L418 HydrophobicContact CG1-CG 4.45Å
404Y86.1Confident79Confident67 Ų6742.7 Ų42.726%0.26324%0.241SC..Hα-helixtrans-61.2-46.1-179.8179.5-105.6000112.6T400 S402 S406 R407 P410 S411 V414 K415T400-Y404 WeakPolarHBondContact O-CB 3.43Å; T400-Y404 PolarHBondContact O-N 2.86Å; S402-Y404 VanDerWaalsContact C-N 3.31Å; S402-Y404 PolarHBondContact O-N 3.02Å; Y404-S406 VanDerWaalsContact C-N 3.25Å; Y404-S406 PolarHBondContact O-N 3.34Å; Y404-R407 PolarHBondContact O-N 3.04Å; Y404-P410 HydrophobicContact CE1-CB 4.19Å; Y404-P410 HydrophobicContact CE2-CB 3.81Å; Y404-S411 WeakPolarHBondContact CE2-O 3.4Å; Y404-V414 HydrophobicContact CD2-CG1 4.41Å; Y404-K415 HydrophobicContact CD2-CB 3.99Å; Y404-K415 HydrophobicContact CE2-CB 3.77Å; Y404-K415 HydrophobicContact CE2-CG 4.47Å
405K84.1Confident80.2Confident116 Ų11646 Ų4650%0.50425%0.251SS..Hα-helixtrans-65.7-25.3178.6-74.2172.9-176.8179.80113.7D401 S402 V403 R407 V727D401-K405 WeakPolarHBondContact O-CB 3.12Å; D401-K405 VanDerWaalsContact O-CG 3.23Å; D401-K405 WeakPolarHBondContact O-CG 3.35Å; D401-K405 PolarHBondContact O-N 2.94Å; S402-K405 PolarHBondContact O-N 3.47Å; V403-K405 PolarHBondContact O-N 3.14Å; K405-R407 VanDerWaalsContact C-N 3.32Å; K405-V727 HydrophobicContact CB-CG1 4.43Å
406S83.7Confident81Confident34 Ų3448.3 Ų48.324%0.23826%0.26CS..Hα-helixtrans-78.5-15.1179.774.80000114.1H384 S402 V403 Y404 V727H384-S406 VanDerWaalsContact CE1-CB 3.48Å; H384-S406 WeakPolarHBondContact CE1-CB 3.38Å; H384-S406 PolarHBondContact NE2-OG 3.17Å; S402-S406 WeakPolarHBondContact O-CB 3.45Å; S402-S406 PolarHBondContact O-N 3.24Å; V403-S406 PolarHBondContact O-N 3.04Å; V403-S406 PolarHBondContact O-OG 3.39Å; Y404-S406 VanDerWaalsContact C-N 3.25Å; Y404-S406 PolarHBondContact O-N 3.34Å; S406-V727 VanDerWaalsContact CA-CG1 3.47Å
407R84.3Confident81.8Confident12 Ų1247.1 Ų47.15%0.04525%0.253CS..  trans-68.6131.6-174.9-59.4-59.8126.6-142.314.7110.5P375 N376 G379 V403 Y404 K405 L409 P410 V414P375-R407 VanDerWaalsContact O-CD 3.3Å; P375-R407 WeakPolarHBondContact O-CD 3.25Å; P375-R407 PolarHBondContact O-NH1 3.12Å; N376-R407 WeakPolarHBondContact O-CD 3.38Å; G379-R407 VanDerWaalsContact O-CZ 3.27Å; G379-R407 PolarHBondContact O-NH1 3.17Å; G379-R407 PolarHBondContact O-NH2 3.19Å; V403-R407 WeakPolarHBondContact O-CG 3.39Å; V403-R407 PolarHBondContact O-NE 2.83Å; Y404-R407 PolarHBondContact O-N 3.04Å; K405-R407 VanDerWaalsContact C-N 3.32Å; R407-L409 PolarHBondContact O-N 3.5Å; R407-P410 WeakPolarHBondContact O-CD 3.1Å; R407-V414 HydrophobicContact CG-CG1 4.19Å
408P83.2Confident82.4Confident89 Ų8946.9 Ų46.958%0.57825%0.25SC*.SBendtrans-54.2-38173.4-24.428.8000113.2P375 N376P375-P408 HydrophobicContact CB-CG 4.46Å; P375-P408 WeakPolarHBondContact O-CD 3.25Å; N376-P408 VanDerWaalsContact OD1-CB 3.29Å; N376-P408 WeakPolarHBondContact OD1-CB 3.46Å; N376-P408 WeakPolarHBondContact OD1-CD 3.08Å; N376-P408 WeakPolarHBondContact OD1-CG 3.31Å
409L81.9Confident82.8Confident122 Ų12252 Ų5264%0.63927%0.273SS*.SBendtrans-12887.8176.6-68.3167.7000110.1N376 R407 S411N376-L409 PolarHBondContact OD1-N 3.1Å; R407-L409 PolarHBondContact O-N 3.5Å; L409-S411 PolarHBondContact O-N 2.82Å
410P78.7Confident83.1Confident70 Ų7051.9 Ų51.946%0.45527%0.273SS..  trans-63.2130176.8-17.229.9000110.6Y404 R407Y404-P410 HydrophobicContact CE1-CB 4.19Å; Y404-P410 HydrophobicContact CE2-CB 3.81Å; R407-P410 WeakPolarHBondContact O-CD 3.1Å
411S79.2Confident83Confident17 Ų1753.1 Ų53.112%0.11928%0.275CS..  trans-130.7153.5-18067.50000112Y404 L409 F413 V414 K415Y404-S411 WeakPolarHBondContact CE2-O 3.4Å; L409-S411 PolarHBondContact O-N 2.82Å; S411-F413 PolarHBondContact O-N 2.91Å; S411-V414 PolarHBondContact O-N 3.04Å; S411-V414 VanDerWaalsContact O-N 3.16Å; S411-V414 WeakPolarHBondContact OG-CG2 3.45Å; S411-V414 PolarHBondContact OG-N 3.08Å; S411-K415 PolarHBondContact O-N 2.91Å
412P81Confident82.8Confident78 Ų7849.1 Ų49.151%0.50625%0.253SS..Hα-helixtrans-53.7-38.5173.4-24.433.4000112.3V414 K415 E416P412-V414 PolarHBondContact O-N 3.42Å; P412-K415 WeakPolarHBondContact O-CB 3.33Å; P412-K415 PolarHBondContact O-N 3.47Å; P412-E416 PolarHBondContact O-N 3.33Å
413F81.6Confident82.6Confident7 Ų749 Ų493%0.03125%0.253CS..Hα-helixtrans-53.4-54175.2172.6-102.3000112.5L251 L255 I351 I354 F371 I377 S411 K415 E416 L417L251-F413 HydrophobicContact CB-CE2 4.32Å; L251-F413 HydrophobicContact CD2-CE1 4.16Å; L251-F413 HydrophobicContact CD2-CE2 3.64Å; L251-F413 HydrophobicContact CD2-CZ 3.38Å; L255-F413 HydrophobicContact CD1-CD2 3.94Å; L255-F413 HydrophobicContact CD1-CE2 4.2Å; L255-F413 HydrophobicContact CD2-CD2 3.91Å; L255-F413 HydrophobicContact CD2-CE2 3.87Å; L255-F413 HydrophobicContact CG-CD2 4.04Å; L255-F413 HydrophobicContact CG-CE2 3.86Å; I351-F413 HydrophobicContact CD1-CD2 3.77Å; I351-F413 HydrophobicContact CD1-CE2 4.49Å; I351-F413 HydrophobicContact CG1-CB 4.12Å; I351-F413 HydrophobicContact CG1-CD2 3.89Å; I351-F413 HydrophobicContact CG1-CG 4.33Å; I351-F413 HydrophobicContact CG2-CD2 4.16Å; I351-F413 HydrophobicContact CG2-CE2 4.48Å; I354-F413 HydrophobicContact CD1-CB 4.28Å; F371-F413 HydrophobicContact CZ-CE1 4.29Å; I377-F413 HydrophobicContact CD1-CD1 4.23Å; I377-F413 HydrophobicContact CD1-CE1 3.97Å; S411-F413 PolarHBondContact O-N 2.91Å; F413-K415 VanDerWaalsContact C-N 3.26Å; F413-K415 PolarHBondContact O-N 3.28Å; F413-E416 PolarHBondContact O-N 3.01Å; F413-L417 HydrophobicContact CE1-CB 4.45Å; F413-L417 HydrophobicContact CE1-CD2 3.88Å; F413-L417 HydrophobicContact CZ-CB 4.38Å; F413-L417 HydrophobicContact CZ-CD2 4.01Å; F413-L417 VanDerWaalsContact O-CB 3.32Å; F413-L417 WeakPolarHBondContact O-CB 3.32Å; F413-L417 PolarHBondContact O-N 3.47Å
414V84Confident82Confident1 Ų151.1 Ų51.11%0.00627%0.267CS..Hα-helixtrans-64.1-37.4-177.7176.20000110.5N376 I377 Y404 R407 S411 P412 L417 L418N376-V414 VanDerWaalsContact O-CG2 3.28Å; N376-V414 WeakPolarHBondContact O-CG2 3.1Å; I377-V414 HydrophobicContact CD1-CG2 4.12Å; Y404-V414 HydrophobicContact CD2-CG1 4.41Å; R407-V414 HydrophobicContact CG-CG1 4.19Å; S411-V414 PolarHBondContact O-N 3.04Å; S411-V414 VanDerWaalsContact O-N 3.16Å; S411-V414 WeakPolarHBondContact OG-CG2 3.45Å; S411-V414 PolarHBondContact OG-N 3.08Å; P412-V414 PolarHBondContact O-N 3.42Å; V414-L417 PolarHBondContact O-N 2.77Å; V414-L418 HydrophobicContact CG1-CD1 3.91Å; V414-L418 HydrophobicContact CG1-CG 4.26Å; V414-L418 WeakPolarHBondContact O-CB 3.31Å; V414-L418 WeakPolarHBondContact O-CG 3.49Å; V414-L418 PolarHBondContact O-N 3.38Å
415K85.6Confident81Confident109 Ų10951.5 Ų51.547%0.47427%0.268SS..Hα-helixtrans-61.8-44.8177-170.1-179.7178.7-175.20111.9Y404 S411 P412 F413 Q419Y404-K415 HydrophobicContact CD2-CB 3.99Å; Y404-K415 HydrophobicContact CE2-CB 3.77Å; Y404-K415 HydrophobicContact CE2-CG 4.47Å; S411-K415 PolarHBondContact O-N 2.91Å; P412-K415 WeakPolarHBondContact O-CB 3.33Å; P412-K415 PolarHBondContact O-N 3.47Å; F413-K415 VanDerWaalsContact C-N 3.26Å; F413-K415 PolarHBondContact O-N 3.28Å; K415-Q419 WeakPolarHBondContact O-CG 3.42Å
416E86.3Confident80.1Confident82 Ų8247.1 Ų47.138%0.38325%0.25SC..Hα-helixtrans-68.7-45.8176.3-72176-171.300111.3L255 P412 F413 L418 Q419 T420L255-E416 HydrophobicContact CD2-CB 3.75Å; P412-E416 PolarHBondContact O-N 3.33Å; F413-E416 PolarHBondContact O-N 3.01Å; E416-L418 VanDerWaalsContact C-N 3.29Å; E416-L418 PolarHBondContact O-N 3.34Å; E416-Q419 WeakPolarHBondContact O-CA 3.47Å; E416-Q419 WeakPolarHBondContact O-CB 3.47Å; E416-Q419 PolarHBondContact O-N 3.14Å; E416-T420 WeakPolarHBondContact O-CG2 3.3Å; E416-T420 PolarHBondContact O-N 3.28Å
417L85.9Confident78.8Confident0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-53.9-44.3177.5178.765.7000111.8L254 L255 I377 F413 V414 Q419 T420 C423L254-L417 HydrophobicContact CB-CD1 4.1Å; L254-L417 HydrophobicContact CD2-CD1 4.33Å; L255-L417 HydrophobicContact CD2-CB 4.41Å; I377-L417 HydrophobicContact CG2-CD2 4.03Å; F413-L417 HydrophobicContact CE1-CB 4.45Å; F413-L417 HydrophobicContact CE1-CD2 3.88Å; F413-L417 HydrophobicContact CZ-CB 4.38Å; F413-L417 HydrophobicContact CZ-CD2 4.01Å; F413-L417 VanDerWaalsContact O-CB 3.32Å; F413-L417 WeakPolarHBondContact O-CB 3.32Å; F413-L417 PolarHBondContact O-N 3.47Å; V414-L417 PolarHBondContact O-N 2.77Å; L417-Q419 PolarHBondContact O-N 3.12Å; L417-Q419 VanDerWaalsContact O-N 3.13Å; L417-T420 WeakPolarHBondContact O-CB 3.49Å; L417-T420 PolarHBondContact O-N 3Å; L417-T420 VanDerWaalsContact O-N 3.09Å; L417-T420 PolarHBondContact O-OG1 3.24Å; L417-C423 WeakPolarHBondContact O-CB 3.28Å
418L84.8Confident77.2Confident4 Ų451.9 Ų51.92%0.02127%0.269CS..THydrogen-bonded Turntrans-65.2-13178.6-70.4170.6000113.9L378 L398 T400 V403 V414 E416L378-L418 HydrophobicContact CD2-CD2 4.08Å; L398-L418 HydrophobicContact CD2-CD2 4.06Å; T400-L418 HydrophobicContact CG2-CB 4.19Å; T400-L418 WeakPolarHBondContact CG2-O 3.5Å; V403-L418 HydrophobicContact CB-CD1 4.02Å; V403-L418 HydrophobicContact CB-CD2 4.28Å; V403-L418 HydrophobicContact CG1-CD1 3.85Å; V403-L418 HydrophobicContact CG1-CD2 3.76Å; V403-L418 HydrophobicContact CG1-CG 4.45Å; V414-L418 HydrophobicContact CG1-CD1 3.91Å; V414-L418 HydrophobicContact CG1-CG 4.26Å; V414-L418 WeakPolarHBondContact O-CB 3.31Å; V414-L418 WeakPolarHBondContact O-CG 3.49Å; V414-L418 PolarHBondContact O-N 3.38Å; E416-L418 VanDerWaalsContact C-N 3.29Å; E416-L418 PolarHBondContact O-N 3.34Å
419Q84.9Confident75.5Confident136 Ų13652.5 Ų52.564%0.63626%0.259SS*.THydrogen-bonded Turntrans-98.6-8.8176.8-62.9176.7-4.100113.1K415 E416 L417K415-Q419 WeakPolarHBondContact O-CG 3.42Å; E416-Q419 WeakPolarHBondContact O-CA 3.47Å; E416-Q419 WeakPolarHBondContact O-CB 3.47Å; E416-Q419 PolarHBondContact O-N 3.14Å; L417-Q419 PolarHBondContact O-N 3.12Å; L417-Q419 VanDerWaalsContact O-N 3.13Å
420T84.8Confident73.9Confident6 Ų649.2 Ų49.24%0.03724%0.243CC..SBendtrans-72.3148.5-179.664.90000111.4L254 E256 E416 L417 V422 C423 C424L254-T420 VanDerWaalsContact O-CG2 3.28Å; L254-T420 WeakPolarHBondContact O-CG2 3.45Å; E256-T420 HydrophobicContact CG-CG2 3.97Å; E256-T420 WeakPolarHBondContact OE1-CB 3.26Å; E416-T420 WeakPolarHBondContact O-CG2 3.3Å; E416-T420 PolarHBondContact O-N 3.28Å; L417-T420 WeakPolarHBondContact O-CB 3.49Å; L417-T420 PolarHBondContact O-N 3Å; L417-T420 VanDerWaalsContact O-N 3.09Å; L417-T420 PolarHBondContact O-OG1 3.24Å; T420-V422 VanDerWaalsContact C-N 3.29Å; T420-C423 PolarHBondContact O-N 3.36Å; T420-C423 WeakPolarHBondContact OG1-CB 3.43Å; T420-C423 PolarHBondContact OG1-N 3.15Å; T420-C424 WeakPolarHBondContact O-CB 3.32Å; T420-C424 PolarHBondContact O-N 3.48Å; T420-C424 PolarHBondContact O-SG 3.4Å
421Q79.6Confident72.1Confident79 Ų7949.5 Ų49.537%0.36924%0.243SC..Hα-helixtrans-63-37.1171.3-63.1-63.4-7.900112.4E256 L286 F287 C423 C424 R425E256-Q421 VanDerWaalsContact OE1-CA 3.28Å; E256-Q421 WeakPolarHBondContact OE1-CA 3.32Å; E256-Q421 VanDerWaalsContact OE1-CB 3.23Å; E256-Q421 WeakPolarHBondContact OE1-CB 3.16Å; E256-Q421 PolarHBondContact OE1-N 2.78Å; L286-Q421 HydrophobicContact CD1-CB 4.14Å; F287-Q421 HydrophobicContact CZ-CB 4.34Å; F287-Q421 HydrophobicContact CZ-CG 4.28Å; Q421-C423 VanDerWaalsContact C-N 3.28Å; Q421-C423 PolarHBondContact O-N 3.41Å; Q421-C424 PolarHBondContact O-N 3.03Å; Q421-R425 WeakPolarHBondContact O-CB 3.25Å; Q421-R425 PolarHBondContact O-N 3.32Å
422V76.2Confident70.5Confident0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-55.3-46.4176.2177.30000110.4L254 E256 L283 Y285 T420L254-V422 HydrophobicContact CD2-CG1 4.41Å; E256-V422 HydrophobicContact CG-CG2 4.22Å; E256-V422 PolarHBondContact OE1-N 3.03Å; L283-V422 HydrophobicContact CB-CG1 3.53Å; L283-V422 HydrophobicContact CD1-CG1 4.49Å; L283-V422 HydrophobicContact CD2-CG1 3.9Å; L283-V422 HydrophobicContact CG-CG1 4.18Å; Y285-V422 HydrophobicContact CD2-CG2 4Å; T420-V422 VanDerWaalsContact C-N 3.29Å
423C77.2Confident68.5Low0 Ų050.6 Ų50.60%024%0.238CC..Hα-helixtrans-67.6-52.7172.9-165.10000111.2L417 T420 Q421 R425 I426 F427L417-C423 WeakPolarHBondContact O-CB 3.28Å; T420-C423 PolarHBondContact O-N 3.36Å; T420-C423 WeakPolarHBondContact OG1-CB 3.43Å; T420-C423 PolarHBondContact OG1-N 3.15Å; Q421-C423 VanDerWaalsContact C-N 3.28Å; Q421-C423 PolarHBondContact O-N 3.41Å; C423-R425 PolarHBondContact O-N 2.81Å; C423-I426 WeakPolarHBondContact O-CB 3.45Å; C423-I426 PolarHBondContact O-N 3.43Å; C423-I426 VanDerWaalsContact O-N 3.13Å; C423-F427 WeakPolarHBondContact O-CD2 3.33Å; C423-F427 WeakPolarHBondContact O-CE2 3.32Å
424C68.7Low66.6Low45 Ų4553.2 Ų53.230%0.30425%0.252SS..Hα-helixtrans-52-36.2-177.3-71.80000113.8T420 Q421 F427 Q428T420-C424 WeakPolarHBondContact O-CB 3.32Å; T420-C424 PolarHBondContact O-N 3.48Å; T420-C424 PolarHBondContact O-SG 3.4Å; Q421-C424 PolarHBondContact O-N 3.03Å; C424-F427 PolarHBondContact O-N 2.91Å; C424-Q428 PolarHBondContact O-N 3.21Å
425R66.2Low64.5Low74 Ų7454.9 Ų54.928%0.27926%0.258SS..Hα-helixtrans-75.7-26.2-175.7-170.4162.7166.7146.9-16.8114.8E284 L286 Q421 C423 F427 Q428 R429E284-R425 IonicContact OE2-CZ 2.76Å; E284-R425 IonicContact OE2-NE 3.99Å; E284-R425 PolarHBondContact OE2-NE 2.78Å; E284-R425 IonicContact OE2-NH2 2.66Å; E284-R425 PolarHBondContact OE2-NH2 3.43Å; L286-R425 HydrophobicContact CD1-CB 4.16Å; L286-R425 HydrophobicContact CD1-CG 4.41Å; L286-R425 VanDerWaalsContact CD2-CD 3.4Å; Q421-R425 WeakPolarHBondContact O-CB 3.25Å; Q421-R425 PolarHBondContact O-N 3.32Å; C423-R425 PolarHBondContact O-N 2.81Å; R425-F427 PolarHBondContact O-N 3.49Å; R425-Q428 PolarHBondContact O-N 3.33Å; R425-R429 PolarHBondContact O-N 3.01Å
426I63.7Low62.5Low24 Ų2453.4 Ų53.412%0.12325%0.253CS..Hα-helixtrans-51-47.7169.8-74-177.2000109.3P282 L283 F381 C423P282-I426 HydrophobicContact CG-CD1 3.92Å; L283-I426 HydrophobicContact CB-CD1 4.48Å; L283-I426 HydrophobicContact CD2-CD1 3.04Å; L283-I426 HydrophobicContact CD2-CG1 3.69Å; L283-I426 HydrophobicContact CG-CD1 3.59Å; L283-I426 HydrophobicContact CG-CG1 4.3Å; F381-I426 HydrophobicContact CZ-CG2 4.25Å; C423-I426 WeakPolarHBondContact O-CB 3.45Å; C423-I426 PolarHBondContact O-N 3.43Å; C423-I426 VanDerWaalsContact O-N 3.13Å
427F56.4Low60.3Low13 Ų1352.6 Ų52.66%0.05727%0.266CS..Hα-helixtrans-71.7-34-173.4-51.3-83.1000111.3F381 I385 V396 L398 C423 C424 R425 R429F381-F427 HydrophobicContact CD2-CD1 4.05Å; F381-F427 AromaticContact CD2-CE1 3.3Å; F381-F427 HydrophobicContact CD2-CE1 3.3Å; F381-F427 HydrophobicContact CD2-CZ 4.24Å; F381-F427 AromaticContact CE2-CD1 3.63Å; F381-F427 HydrophobicContact CE2-CD1 3.63Å; F381-F427 AromaticContact CE2-CE1 3.16Å; F381-F427 HydrophobicContact CE2-CE1 3.16Å; F381-F427 HydrophobicContact CE2-CZ 4.17Å; F381-F427 AromaticContact CG-CE1 4Å; F381-F427 HydrophobicContact CG-CE1 4Å; F381-F427 HydrophobicContact CZ-CD1 4.38Å; F381-F427 AromaticContact CZ-CE1 3.81Å; F381-F427 HydrophobicContact CZ-CE1 3.81Å; F381-F427 HydrophobicContact CZ-CZ 4.48Å; I385-F427 HydrophobicContact CD1-CD1 4.4Å; V396-F427 HydrophobicContact CG2-CB 4.38Å; V396-F427 WeakPolarHBondContact CG2-O 3.3Å; L398-F427 HydrophobicContact CB-CD1 4.07Å; L398-F427 HydrophobicContact CB-CD2 4.39Å; L398-F427 HydrophobicContact CB-CE1 4.27Å; L398-F427 HydrophobicContact CB-CG 4.14Å; L398-F427 HydrophobicContact CD1-CD1 3.88Å; L398-F427 HydrophobicContact CD1-CE1 3.47Å; L398-F427 VanDerWaalsContact CD1-CE1 3.47Å; L398-F427 HydrophobicContact CD1-CZ 4.08Å; L398-F427 HydrophobicContact CD2-CD1 4.19Å; L398-F427 HydrophobicContact CD2-CD2 4.06Å; L398-F427 HydrophobicContact CD2-CE1 3.6Å; L398-F427 HydrophobicContact CD2-CE2 3.54Å; L398-F427 HydrophobicContact CD2-CG 4.4Å; L398-F427 HydrophobicContact CD2-CZ 3.31Å; L398-F427 HydrophobicContact CG-CD1 4.26Å; L398-F427 HydrophobicContact CG-CE1 3.96Å; L398-F427 HydrophobicContact CG-CZ 4.18Å; C423-F427 WeakPolarHBondContact O-CD2 3.33Å; C423-F427 WeakPolarHBondContact O-CE2 3.32Å; C424-F427 PolarHBondContact O-N 2.91Å; R425-F427 PolarHBondContact O-N 3.49Å; F427-R429 PolarHBondContact O-N 2.84Å
428Q51.4Low58.5Low134 Ų13455.2 Ų55.263%0.62628%0.28SS*.Hα-helixtrans-69-33.3-179.5-69.8179.4-5.900114.3C424 R425C424-Q428 PolarHBondContact O-N 3.21Å; R425-Q428 PolarHBondContact O-N 3.33Å
429R48.2Very low56.7Low101 Ų10159.4 Ų59.438%0.38130%0.302SS..THydrogen-bonded Turntrans-86-3.1-173.7-73.8-168.8161.8-172.4-0.3114.7E284 R425 F427 V431E284-R429 IonicContact OE1-CZ 3.9Å; E284-R429 IonicContact OE1-NH1 2.78Å; E284-R429 PolarHBondContact OE1-NH1 2.89Å; E284-R429 IonicContact OE2-CZ 3.76Å; E284-R429 VanDerWaalsContact OE2-CZ 3.25Å; E284-R429 IonicContact OE2-NE 3.49Å; E284-R429 IonicContact OE2-NH1 3.11Å; E284-R429 PolarHBondContact OE2-NH1 3.41Å; E284-R429 IonicContact OE2-NH2 3.75Å; R425-R429 PolarHBondContact O-N 3.01Å; F427-R429 PolarHBondContact O-N 2.84Å; R429-V431 HydrophobicContact CB-CG2 3.62Å; R429-V431 PolarHBondContact O-N 3.41Å
430N46.6Very low55Low54 Ų5456 Ų5629%0.28929%0.288SS..THydrogen-bonded Turntrans50.925.3-174.5-62.1-42.2000113.6P394 F432P394-N430 PolarHBondContact O-ND2 2.93Å; N430-F432 PolarHBondContact O-N 2.96Å; N430-F432 VanDerWaalsContact O-N 3.16Å
431V43Very low53.1Low75 Ų7558.5 Ų58.546%0.45531%0.305SS..G310 helixtrans-75.51.8178.3-176.30000111.2R429 F433R429-V431 HydrophobicContact CB-CG2 3.62Å; R429-V431 PolarHBondContact O-N 3.41Å; V431-F433 PolarHBondContact O-N 3.47Å; V431-F433 VanDerWaalsContact O-N 3.08Å
432F43.6Very low51.6Low38 Ų3861.2 Ų61.217%0.16731%0.312CS..G310 helixtrans-56.3-27.3-174.1-178.8-108000115.2F381 V382 N430 L434 W435F381-F432 HydrophobicContact CD1-CE2 4.32Å; F381-F432 AromaticContact CE1-CD2 3.79Å; F381-F432 HydrophobicContact CE1-CD2 3.79Å; F381-F432 AromaticContact CE1-CE2 3.45Å; F381-F432 HydrophobicContact CE1-CE2 3.45Å; F381-F432 VanDerWaalsContact CE1-CE2 3.45Å; F381-F432 AromaticContact CE2-CD2 3.67Å; F381-F432 HydrophobicContact CE2-CD2 3.67Å; F381-F432 AromaticContact CE2-CE2 3.79Å; F381-F432 HydrophobicContact CE2-CE2 3.79Å; F381-F432 HydrophobicContact CE2-CG 4.41Å; F381-F432 AromaticContact CZ-CD2 3.09Å; F381-F432 HydrophobicContact CZ-CD2 3.09Å; F381-F432 AromaticContact CZ-CE2 3.21Å; F381-F432 HydrophobicContact CZ-CE2 3.21Å; F381-F432 HydrophobicContact CZ-CG 4.17Å; F381-F432 HydrophobicContact CZ-CZ 4.38Å; V382-F432 HydrophobicContact CB-CE1 4.25Å; V382-F432 HydrophobicContact CB-CZ 4.2Å; V382-F432 HydrophobicContact CG1-CD1 4.47Å; V382-F432 HydrophobicContact CG1-CE1 3.77Å; V382-F432 HydrophobicContact CG1-CZ 4.24Å; V382-F432 HydrophobicContact CG2-CD1 4.49Å; V382-F432 HydrophobicContact CG2-CE1 3.41Å; V382-F432 VanDerWaalsContact CG2-CE1 3.41Å; V382-F432 HydrophobicContact CG2-CE2 3.71Å; V382-F432 HydrophobicContact CG2-CZ 2.97Å; N430-F432 PolarHBondContact O-N 2.96Å; N430-F432 VanDerWaalsContact O-N 3.16Å; F432-L434 PolarHBondContact O-N 3.26Å; F432-W435 HydrophobicContact CE2-CB 4.41Å; F432-W435 PolarHBondContact O-N 3.37Å
433F40.3Very low50.2Low80 Ų8065.4 Ų65.435%0.35134%0.335SS..G310 helixtrans-63.8-13.7-172.7-73.6-78.2000115.7V431 L617 L621 E821V431-F433 PolarHBondContact O-N 3.47Å; V431-F433 VanDerWaalsContact O-N 3.08Å; F433-L617 HydrophobicContact CD1-CD1 4.2Å; F433-L617 HydrophobicContact CD1-CD2 3.78Å; F433-L617 HydrophobicContact CE1-CD2 3.99Å; F433-L621 HydrophobicContact CE1-CD1 3.91Å; F433-L621 HydrophobicContact CZ-CD1 4.34Å; F433-E821 WeakPolarHBondContact CZ-OE1 3.34Å
434L41Very low48.8Very low63 Ų6365.6 Ų65.633%0.3334%0.335SS..G310 helixtrans-87.7-6.8-178.4-79.5155.1000114.3F432 I438F432-L434 PolarHBondContact O-N 3.26Å; L434-I438 WeakPolarHBondContact O-CD1 3.42Å
435W41.1Very low47.5Very low36 Ų3665.3 Ų65.314%0.13634%0.341CS..  trans-91.9-27-161.8-83.270.7000116.3Y281 P282 V369 F432 G437Y281-W435 AromaticContact CD1-CH2 3.98Å; Y281-W435 HydrophobicContact CD1-CH2 3.98Å; Y281-W435 AromaticContact CD1-CZ2 3.61Å; Y281-W435 HydrophobicContact CD1-CZ2 3.61Å; Y281-W435 HydrophobicContact CE1-CH2 4.01Å; Y281-W435 AromaticContact CE1-CZ2 3.31Å; Y281-W435 HydrophobicContact CE1-CZ2 3.31Å; P282-W435 HydrophobicContact CB-CD2 4.42Å; P282-W435 HydrophobicContact CB-CH2 3.93Å; P282-W435 HydrophobicContact CB-CZ2 3.07Å; P282-W435 HydrophobicContact CG-CD2 4Å; P282-W435 HydrophobicContact CG-CE3 4.27Å; P282-W435 HydrophobicContact CG-CH2 3.38Å; P282-W435 HydrophobicContact CG-CZ2 3.01Å; P282-W435 HydrophobicContact CG-CZ3 3.95Å; V369-W435 HydrophobicContact CB-CH2 4.38Å; V369-W435 HydrophobicContact CG1-CH2 3.84Å; V369-W435 HydrophobicContact CG1-CZ3 3.73Å; V369-W435 HydrophobicContact CG2-CH2 4.07Å; F432-W435 HydrophobicContact CE2-CB 4.41Å; F432-W435 PolarHBondContact O-N 3.37Å; W435-G437 PolarHBondContact O-N 3.16Å
436Q42.3Very low46.2Very low77 Ų7764.5 Ų64.536%0.3634%0.342SS..THydrogen-bonded Turntrans-87.7106.1-176.2-71.9-158.9-13.900111.6
437G40.9Very low45.3Very low65 Ų6567.4 Ų67.467%0.6735%0.353SS*.THydrogen-bonded Turntrans1087.3165.100000116.5W435 D439W435-G437 PolarHBondContact O-N 3.16Å; G437-D439 VanDerWaalsContact C-N 3.3Å; G437-D439 PolarHBondContact O-N 3.46Å; G437-D439 VanDerWaalsContact O-N 3.11Å
438I47Very low44.6Very low55 Ų5572.4 Ų72.428%0.28239%0.385SS..  trans-85.879.4171.7-48-177.4000108.2L434 L443 I444L434-I438 WeakPolarHBondContact O-CD1 3.42Å; I438-L443 HydrophobicContact CG2-CB 3.77Å; I438-L443 HydrophobicContact CG2-CD1 4.42Å; I438-I444 HydrophobicContact CB-CD1 4.45Å; I438-I444 HydrophobicContact CG2-CD1 3.74Å; I438-I444 HydrophobicContact CG2-CG1 3.79Å; I438-I444 VanDerWaalsContact O-CD1 3.24Å; I438-I444 WeakPolarHBondContact O-CD1 3.35Å
439D47.4Very low44.3Very low93 Ų9371.8 Ų71.850%0.49738%0.38SS..  trans-970.7170.5-97.1-50000112.5R370 G437 P441R370-D439 IonicContact CZ-OD1 3.71Å; R370-D439 IonicContact NE-OD1 3.07Å; R370-D439 PolarHBondContact NE-OD1 3.21Å; R370-D439 VanDerWaalsContact NE-OD1 3.14Å; R370-D439 IonicContact NH2-OD1 3.93Å; R370-D439 PolarHBondContact NH2-OD1 3.27Å; G437-D439 VanDerWaalsContact C-N 3.3Å; G437-D439 PolarHBondContact O-N 3.46Å; G437-D439 VanDerWaalsContact O-N 3.11Å; D439-P441 WeakPolarHBondContact O-CD 3.33Å
440D49.4Very low44.3Very low64 Ų6467.7 Ų67.734%0.34236%0.364SS..  trans-81.6112.8-173.8-170.8-4.4000111.1Y442 L443 I444D440-Y442 PolarHBondContact O-N 3.32Å; D440-Y442 VanDerWaalsContact O-N 3.14Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.42Å; D440-Y442 WeakPolarHBondContact OD1-CD2 3.45Å; D440-Y442 PolarHBondContact OD1-N 3.42Å; D440-L443 HydrophobicContact CB-CB 4.37Å; D440-L443 HydrophobicContact CB-CD1 3.87Å; D440-L443 PolarHBondContact O-N 3.25Å; D440-I444 PolarHBondContact O-N 2.89Å
441P45.8Very low44.5Very low59 Ų5967.5 Ų67.538%0.38336%0.36SS..Hα-helixtrans-57.4-23.9173.523.7-33000113.1D439 L443 I444 G445D439-P441 WeakPolarHBondContact O-CD 3.33Å; P441-L443 VanDerWaalsContact C-N 3.33Å; P441-L443 PolarHBondContact O-N 2.89Å; P441-I444 PolarHBondContact O-N 2.82Å; P441-G445 PolarHBondContact O-N 3.28Å
442Y46.7Very low44.9Very low135 Ų13568.4 Ų68.453%0.52936%0.362SS..Hα-helixtrans-67.7-30.2174.9-68-72.6000113.1D440D440-Y442 PolarHBondContact O-N 3.32Å; D440-Y442 VanDerWaalsContact O-N 3.14Å; D440-Y442 WeakPolarHBondContact OD1-CB 3.42Å; D440-Y442 WeakPolarHBondContact OD1-CD2 3.45Å; D440-Y442 PolarHBondContact OD1-N 3.42Å
443L47.1Very low45.5Very low89 Ų8975 Ų7547%0.46639%0.394SS..Hα-helixtrans-81.9-24.9175.4-90.5136.6000112.8I438 D440 P441I438-L443 HydrophobicContact CG2-CB 3.77Å; I438-L443 HydrophobicContact CG2-CD1 4.42Å; D440-L443 HydrophobicContact CB-CB 4.37Å; D440-L443 HydrophobicContact CB-CD1 3.87Å; D440-L443 PolarHBondContact O-N 3.25Å; P441-L443 VanDerWaalsContact C-N 3.33Å; P441-L443 PolarHBondContact O-N 2.89Å
444I48.4Very low46.5Very low3 Ų378.1 Ų78.12%0.01541%0.414CS..Hα-helixtrans-104.7-29.6-168.3-62175.7000112.7F227 L365 L366 I438 D440 P441F227-I444 HydrophobicContact CE1-CG2 4.47Å; F227-I444 HydrophobicContact CE2-CB 4.12Å; F227-I444 HydrophobicContact CE2-CG1 3.77Å; F227-I444 HydrophobicContact CE2-CG2 4.3Å; F227-I444 HydrophobicContact CZ-CB 4.18Å; F227-I444 HydrophobicContact CZ-CG1 3.79Å; F227-I444 HydrophobicContact CZ-CG2 3.92Å; L365-I444 HydrophobicContact CD2-CG2 4.02Å; L365-I444 HydrophobicContact CG-CG2 4.33Å; L366-I444 HydrophobicContact CB-CG2 4.32Å; L366-I444 HydrophobicContact CD1-CD1 3.39Å; L366-I444 HydrophobicContact CD1-CG2 4.44Å; I438-I444 HydrophobicContact CB-CD1 4.45Å; I438-I444 HydrophobicContact CG2-CD1 3.74Å; I438-I444 HydrophobicContact CG2-CG1 3.79Å; I438-I444 VanDerWaalsContact O-CD1 3.24Å; I438-I444 WeakPolarHBondContact O-CD1 3.35Å; D440-I444 PolarHBondContact O-N 2.89Å; P441-I444 PolarHBondContact O-N 2.82Å
445G40.3Very low48.2Very low40 Ų4075.6 Ų75.641%0.41240%0.401SS..SBendtrans-110-29-163.200000117.1P441P441-G445 PolarHBondContact O-N 3.28Å
446D38.8Very low50.2Low56 Ų5680 Ų8030%0.29943%0.425SS..  trans-10898.8-153.9-133.9-6.1000114.6V448 K449 W450D446-V448 PolarHBondContact O-N 3.48Å; D446-K449 PolarHBondContact O-N 3.21Å; D446-W450 PolarHBondContact O-NE1 3.26Å
447K46.9Very low52.3Low86 Ų8680.1 Ų80.137%0.37443%0.427SS..G310 helixtrans-52.6-31.5-178.4-76.4-176.7179.8-178.40113.9A230 D231 K449A230-K447 WeakPolarHBondContact O-CE 3.3Å; A230-K447 PolarHBondContact O-NZ 3.26Å; D231-K447 IonicContact OD1-NZ 2.71Å; K447-K449 VanDerWaalsContact C-N 3.32Å; K447-K449 PolarHBondContact O-N 2.73Å
448V41.5Very low54.6Low118 Ų11880 Ų8072%0.71541%0.411SS*.G310 helixtrans-73.5-26.1-172.2-171.20000111.5D446D446-V448 PolarHBondContact O-N 3.48Å
449K43.7Very low56.7Low120 Ų12082.4 Ų82.452%0.52242%0.421SS..G310 helixtrans-105.66.9-178.8-63.3-174.9179.6-178.70114.3R226 D446 K447 Y451R226-K449 PolarHBondContact NH1-O 3.35Å; D446-K449 PolarHBondContact O-N 3.21Å; K447-K449 VanDerWaalsContact C-N 3.32Å; K447-K449 PolarHBondContact O-N 2.73Å; K449-Y451 PolarHBondContact O-N 3.38Å
450W48.1Very low58.8Low15 Ų1580.1 Ų80.16%0.05741%0.407CS..SBendtrans-74.1-14177.8-78.920.7000113.7P222 R226 F227 D446P222-W450 HydrophobicContact CB-CE3 4.21Å; P222-W450 HydrophobicContact CG-CE3 4.43Å; R226-W450 PolarHBondContact NH1-O 3.39Å; F227-W450 HydrophobicContact CB-CH2 3.27Å; F227-W450 HydrophobicContact CB-CZ2 3.85Å; F227-W450 HydrophobicContact CB-CZ3 3.72Å; F227-W450 HydrophobicContact CD2-CH2 4.47Å; F227-W450 HydrophobicContact CD2-CZ2 4.21Å; F227-W450 HydrophobicContact CG-CH2 4.1Å; F227-W450 HydrophobicContact CG-CZ2 4.28Å; F227-W450 WeakPolarHBondContact O-CZ3 3.39Å; D446-W450 PolarHBondContact O-NE1 3.26Å
451Y52.1Low60.8Low50 Ų5081.6 Ų81.620%0.19642%0.415CS..SBendtrans-102.3120.8175.3-53.5-59.4000106.6A220 L229 K449 E453 L455A220-Y451 HydrophobicContact CB-CD1 3.2Å; A220-Y451 HydrophobicContact CB-CD2 4.47Å; A220-Y451 HydrophobicContact CB-CE1 3.28Å; A220-Y451 HydrophobicContact CB-CG 3.84Å; A220-Y451 WeakPolarHBondContact O-CE1 3.43Å; A220-Y451 PolarHBondContact O-OH 2.94Å; A220-Y451 VanDerWaalsContact O-OH 3.1Å; L229-Y451 WeakPolarHBondContact CD1-OH 3.18Å; K449-Y451 PolarHBondContact O-N 3.38Å; Y451-E453 PolarHBondContact O-N 3.06Å; Y451-L455 HydrophobicContact CD1-CD1 3.99Å; Y451-L455 HydrophobicContact CG-CD1 4.23Å
452D51.2Low62.8Low94 Ų9478.8 Ų78.850%0.50340%0.397SS..  trans-48.2132167.8-136.1-37.4000108.2D454 L455D452-D454 PolarHBondContact O-N 3.31Å; D452-D454 VanDerWaalsContact O-N 3.07Å; D452-L455 HydrophobicContact CB-CD2 4.04Å; D452-L455 HydrophobicContact CB-CG 3.98Å; D452-L455 VanDerWaalsContact O-CG 3.31Å; D452-L455 WeakPolarHBondContact O-CG 3.13Å; D452-L455 PolarHBondContact O-N 3.25Å; D452-L455 VanDerWaalsContact O-N 3.09Å
453E54.9Low64.5Low177 Ų17773.2 Ų73.283%0.82738%0.376SS*.THydrogen-bonded Turntrans-57.9-26.6177.2-68.9-167.8171.400110.1Y451 L455Y451-E453 PolarHBondContact O-N 3.06Å; E453-L455 PolarHBondContact O-N 3.05Å
454D63.2Low65.7Low146 Ų14671.5 Ų71.578%0.78137%0.371SS*.THydrogen-bonded Turntrans-86.412.3-179.8-65.2-27.7000115.5D452 M456D452-D454 PolarHBondContact O-N 3.31Å; D452-D454 VanDerWaalsContact O-N 3.07Å; D454-M456 PolarHBondContact O-N 3.44Å
455L76.2Confident66.7Low10 Ų1076.6 Ų76.65%0.05241%0.405CS..PPolyproline II helixtrans-60.2130.2174.2-70.8-177.7000111.3G200 K203 A220 Y451 D452 E453 L457G200-L455 WeakPolarHBondContact O-CD2 3.01Å; K203-L455 HydrophobicContact CB-CB 4.25Å; K203-L455 HydrophobicContact CB-CD1 4.29Å; K203-L455 HydrophobicContact CD-CB 4.13Å; K203-L455 WeakPolarHBondContact CE-O 3.42Å; K203-L455 HydrophobicContact CG-CB 4.15Å; A220-L455 HydrophobicContact CB-CD1 4.05Å; Y451-L455 HydrophobicContact CD1-CD1 3.99Å; Y451-L455 HydrophobicContact CG-CD1 4.23Å; D452-L455 HydrophobicContact CB-CD2 4.04Å; D452-L455 HydrophobicContact CB-CG 3.98Å; D452-L455 VanDerWaalsContact O-CG 3.31Å; D452-L455 WeakPolarHBondContact O-CG 3.13Å; D452-L455 PolarHBondContact O-N 3.25Å; D452-L455 VanDerWaalsContact O-N 3.09Å; E453-L455 PolarHBondContact O-N 3.05Å; L455-L457 PolarHBondContact O-N 2.88Å
456M83Confident68.3Low129 Ų12981.8 Ų81.864%0.63542%0.423SS*.EExtended strand (participates in β ladder)trans-61.6126.1179.7-160.4-161.3-56.100110.4F201 T202 K203 D454F201-M456 PolarHBondContact O-N 3.26Å; T202-M456 CarbonylContact C-O 3.51Å; T202-M456 WeakPolarHBondContact CA-O 3.14Å; T202-M456 WeakPolarHBondContact CB-O 3.19Å; T202-M456 HydrophobicContact CG2-CB 4.22Å; K203-M456 PolarHBondContact N-O 3.37Å; D454-M456 PolarHBondContact O-N 3.44Å
457L87Confident70.3Confident78 Ų7880 Ų8041%0.40842%0.415SS..EExtended strand (participates in β ladder)trans-83.8125.8-175.8-179.967000111.4K203 Q205 L455 E459K203-L457 HydrophobicContact CD-CD1 4.4Å; K203-L457 HydrophobicContact CG-CD1 3.97Å; Q205-L457 HydrophobicContact CB-CD1 3.63Å; L455-L457 PolarHBondContact O-N 2.88Å; L457-E459 HydrophobicContact CD2-CG 4.03Å; L457-E459 HydrophobicContact CG-CG 4.12Å
458N88.9Confident72Confident62 Ų6276.8 Ų76.833%0.33240%0.403SS..EExtended strand (participates in β ladder)trans-110.8110168-71.9-19.6000109K203 L204 Q205K203-N458 PolarHBondContact O-N 3.45Å; L204-N458 CarbonylContact C-O 3.49Å; L204-N458 WeakPolarHBondContact CA-O 3.24Å; Q205-N458 PolarHBondContact N-O 3.06Å
459E90.5Very high74Confident107 Ų10771.2 Ų71.250%0.537%0.368SS..EExtended strand (participates in β ladder)trans-85140.9174.2-60-165.4144.900111.1Q205 K207 L457Q205-E459 PolarHBondContact OE1-OE1 3.31Å; K207-E459 IonicContact NZ-OE1 2.64Å; K207-E459 PolarHBondContact NZ-OE1 2.98Å; K207-E459 IonicContact NZ-OE2 3.09Å; K207-E459 PolarHBondContact NZ-OE2 3.33Å; L457-E459 HydrophobicContact CD2-CG 4.03Å; L457-E459 HydrophobicContact CG-CG 4.12Å
460F91.9Very high75.7Confident45 Ų4566.2 Ų66.220%0.19735%0.349CS..EExtended strand (participates in β ladder)trans-141.7116.4177.2-169.7-87.2000111.7K190 S193 A194 P195 L204 Q205 L206 K207 V462K190-F460 VanDerWaalsContact O-CE1 3.3Å; K190-F460 WeakPolarHBondContact O-CE1 3.16Å; S193-F460 WeakPolarHBondContact OG-CZ 3.32Å; A194-F460 HydrophobicContact CB-CD1 4.03Å; A194-F460 HydrophobicContact CB-CE1 4.06Å; A194-F460 HydrophobicContact CB-CG 4.48Å; P195-F460 HydrophobicContact CG-CD2 4.47Å; L204-F460 HydrophobicContact CD1-CB 3.7Å; Q205-F460 PolarHBondContact O-N 2.94Å; L206-F460 HydrophobicContact CD1-CB 4.32Å; L206-F460 HydrophobicContact CD1-CD1 3.68Å; L206-F460 HydrophobicContact CD1-CG 4.39Å; K207-F460 PolarHBondContact N-O 3.11Å; F460-V462 HydrophobicContact CD1-CG2 4.14Å; F460-V462 HydrophobicContact CE1-CG2 4.23Å
461D89.9Confident77.3Confident94 Ų9468.1 Ų68.150%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-92.2117.1179.9-64.5-49.7000111.8K207K207-D461 WeakPolarHBondContact CB-OD1 3.31Å; K207-D461 WeakPolarHBondContact CD-OD1 3.41Å
462V88.3Confident78.7Confident1 Ų165.9 Ų65.91%0.00636%0.356CS..  trans-85.5-39.7177.2-1750000111.1W187 K190 L191 L206 K207 F208 F460W187-V462 HydrophobicContact CD2-CG1 4.11Å; W187-V462 HydrophobicContact CG-CG1 3.94Å; W187-V462 VanDerWaalsContact O-CG1 3.22Å; W187-V462 WeakPolarHBondContact O-CG1 3.19Å; K190-V462 HydrophobicContact CB-CG1 3.87Å; K190-V462 WeakPolarHBondContact CD-O 3.46Å; L191-V462 HydrophobicContact CB-CG1 4.03Å; L191-V462 HydrophobicContact CD1-CG2 4.4Å; L206-V462 HydrophobicContact CD1-CG2 3.67Å; L206-V462 HydrophobicContact CG-CG2 4Å; K207-V462 PolarHBondContact O-N 2.94Å; F208-V462 HydrophobicContact CB-CB 4.13Å; F208-V462 HydrophobicContact CB-CG2 4.11Å; F460-V462 HydrophobicContact CD1-CG2 4.14Å; F460-V462 HydrophobicContact CE1-CG2 4.23Å
463I82.3Confident80.3Confident17 Ų1763.2 Ų63.29%0.08734%0.339CS..SBendtrans-97.4139.3-178.6-129.5155.2000110.2F208 L209 L469F208-I463 WeakPolarHBondContact O-CD1 3.43Å; L209-I463 HydrophobicContact CD2-CD1 4.21Å; I463-L469 HydrophobicContact CD1-CB 3.83Å; I463-L469 HydrophobicContact CD1-CD1 4.3Å; I463-L469 HydrophobicContact CG1-CB 4.5Å
464S73.3Confident81.5Confident53 Ų5356.9 Ų56.937%0.37131%0.314SS..  trans-75.9142.7169-171.70000109.3D466 S467S464-D466 PolarHBondContact O-N 3.2Å; S464-D466 VanDerWaalsContact O-N 3.11Å; S464-S467 VanDerWaalsContact O-CB 3.24Å; S464-S467 WeakPolarHBondContact O-CB 3.35Å; S464-S467 PolarHBondContact O-N 3.31Å
465P68.4Low82.2Confident111 Ų11155.2 Ų55.272%0.72130%0.303SS*.THydrogen-bonded Turntrans-51-35.4174.9-25.432.9000113.1S467P465-S467 VanDerWaalsContact C-N 3.32Å; P465-S467 PolarHBondContact O-N 3.15Å
466D74Confident82.1Confident148 Ų14855.4 Ų55.479%0.79130%0.304SS*.THydrogen-bonded Turntrans-89.59.8-177.2-54.3-37.3000113.9S464S464-D466 PolarHBondContact O-N 3.2Å; S464-D466 VanDerWaalsContact O-N 3.11Å
467S81.4Confident81.6Confident19 Ų1951.3 Ų51.313%0.13329%0.29CS..  trans-70.4136.9-177.5177.30000111.6E183 S464 P465 L469 S470E183-S467 PolarHBondContact OE2-OG 3.41Å; S464-S467 VanDerWaalsContact O-CB 3.24Å; S464-S467 WeakPolarHBondContact O-CB 3.35Å; S464-S467 PolarHBondContact O-N 3.31Å; P465-S467 VanDerWaalsContact C-N 3.32Å; P465-S467 PolarHBondContact O-N 3.15Å; S467-L469 PolarHBondContact O-N 2.76Å; S467-L469 WeakPolarHBondContact OG-CB 3.35Å; S467-L469 PolarHBondContact OG-N 2.77Å; S467-S470 WeakPolarHBondContact O-CB 3.41Å; S467-S470 PolarHBondContact O-N 3.15Å
468T82.6Confident80.8Confident19 Ų1950.8 Ų50.812%0.11729%0.293CS..Hα-helixtrans-65.9-21.8174.370.70000112.5E183 S470 S471 A472E183-T468 WeakPolarHBondContact OE1-CG2 3.35Å; E183-T468 PolarHBondContact OE1-OG1 3.45Å; E183-T468 WeakPolarHBondContact OE2-CA 3.49Å; E183-T468 WeakPolarHBondContact OE2-CB 3.43Å; E183-T468 PolarHBondContact OE2-N 3.39Å; E183-T468 PolarHBondContact OE2-OG1 2.87Å; T468-S470 VanDerWaalsContact C-N 3.34Å; T468-S470 PolarHBondContact O-N 3.44Å; T468-S471 PolarHBondContact O-N 2.99Å; T468-S471 PolarHBondContact O-OG 3.03Å; T468-A472 WeakPolarHBondContact O-CB 3.48Å; T468-A472 PolarHBondContact O-N 3.02Å
469L82.9Confident79.7Confident0 Ų050.4 Ų50.40%029%0.293CS..Hα-helixtrans-60.9-40.1172.4-63.5179.2000112.8L147 S151 E183 L184 W187 I463 S467 S471 A472 W473L147-L469 HydrophobicContact CD2-CB 4.22Å; S151-L469 WeakPolarHBondContact OG-CD2 3.29Å; E183-L469 HydrophobicContact CB-CD1 4.14Å; E183-L469 HydrophobicContact CB-CD2 4.36Å; E183-L469 HydrophobicContact CB-CG 3.98Å; E183-L469 PolarHBondContact OE2-N 2.84Å; L184-L469 HydrophobicContact CD2-CD1 4.33Å; L184-L469 HydrophobicContact CD2-CD2 3.67Å; L184-L469 HydrophobicContact CG-CD2 3.92Å; W187-L469 HydrophobicContact CB-CD1 3.89Å; W187-L469 HydrophobicContact CG-CD1 4.3Å; I463-L469 HydrophobicContact CD1-CB 3.83Å; I463-L469 HydrophobicContact CD1-CD1 4.3Å; I463-L469 HydrophobicContact CG1-CB 4.5Å; S467-L469 PolarHBondContact O-N 2.76Å; S467-L469 WeakPolarHBondContact OG-CB 3.35Å; S467-L469 PolarHBondContact OG-N 2.77Å; L469-S471 VanDerWaalsContact C-N 3.34Å; L469-A472 WeakPolarHBondContact O-CB 3.4Å; L469-A472 PolarHBondContact O-N 3.07Å; L469-W473 PolarHBondContact O-N 3.12Å
470S80.6Confident78.4Confident16 Ų1647.1 Ų47.111%0.11228%0.28CS..Hα-helixtrans-62-44.2175.2175.90000111P210 S467 T468 A472 W473 S474P210-S470 WeakPolarHBondContact CG-OG 2.92Å; S467-S470 WeakPolarHBondContact O-CB 3.41Å; S467-S470 PolarHBondContact O-N 3.15Å; T468-S470 VanDerWaalsContact C-N 3.34Å; T468-S470 PolarHBondContact O-N 3.44Å; S470-A472 VanDerWaalsContact C-N 3.35Å; S470-A472 PolarHBondContact O-N 2.74Å; S470-W473 PolarHBondContact O-N 3.25Å; S470-S474 WeakPolarHBondContact O-CB 3.5Å; S470-S474 PolarHBondContact O-N 3.24Å; S470-S474 PolarHBondContact O-OG 3.33Å
471S80.5Confident76.9Confident55 Ų5548.8 Ų48.839%0.38530%0.302SS..Hα-helixtrans-64.4-38.4175.678.60000112.5T468 L469 S474 M475T468-S471 PolarHBondContact O-N 2.99Å; T468-S471 PolarHBondContact O-OG 3.03Å; L469-S471 VanDerWaalsContact C-N 3.34Å; S471-S474 PolarHBondContact O-N 2.82Å; S471-M475 WeakPolarHBondContact O-CB 3.42Å; S471-M475 PolarHBondContact O-N 2.94Å
472A82.5Confident75.4Confident2 Ų248.5 Ų48.52%0.01731%0.313CS..Hα-helixtrans-64.5-45.2178.500000111.1C150 T468 L469 S470 M475 H476C150-A472 HydrophobicContact CB-CB 4.07Å; T468-A472 WeakPolarHBondContact O-CB 3.48Å; T468-A472 PolarHBondContact O-N 3.02Å; L469-A472 WeakPolarHBondContact O-CB 3.4Å; L469-A472 PolarHBondContact O-N 3.07Å; S470-A472 VanDerWaalsContact C-N 3.35Å; S470-A472 PolarHBondContact O-N 2.74Å; A472-M475 PolarHBondContact O-N 2.91Å; A472-H476 PolarHBondContact O-N 3.38Å; A472-H476 VanDerWaalsContact O-N 3.11Å
473W83.8Confident73.6Confident39 Ų3956.4 Ų56.415%0.14834%0.343CS..Hα-helixtrans-62.7-47.4176.1-171.8-81.5000111.9V143 R146 L147 L209 L469 S470 M475 H476 A477V143-W473 HydrophobicContact CG1-CZ3 4.29Å; R146-W473 HydrophobicContact CB-CH2 3.91Å; R146-W473 HydrophobicContact CB-CZ3 3.56Å; R146-W473 HydrophobicContact CG-CE3 4.11Å; R146-W473 HydrophobicContact CG-CH2 3.56Å; R146-W473 HydrophobicContact CG-CZ2 4.46Å; R146-W473 HydrophobicContact CG-CZ3 3.36Å; L147-W473 HydrophobicContact CD2-CE3 3.79Å; L147-W473 HydrophobicContact CD2-CZ3 4.47Å; L147-W473 HydrophobicContact CG-CE3 3.98Å; L147-W473 HydrophobicContact CG-CZ3 4.16Å; L209-W473 HydrophobicContact CD1-CD2 3.88Å; L209-W473 HydrophobicContact CD1-CE3 4.1Å; L209-W473 HydrophobicContact CD1-CG 4.42Å; L209-W473 HydrophobicContact CD1-CH2 4.12Å; L209-W473 HydrophobicContact CD1-CZ2 3.93Å; L209-W473 HydrophobicContact CD1-CZ3 4.18Å; L209-W473 HydrophobicContact CD2-CB 4.27Å; L209-W473 HydrophobicContact CD2-CD2 4.24Å; L209-W473 HydrophobicContact CD2-CE3 4.45Å; L209-W473 HydrophobicContact CD2-CG 4.15Å; L469-W473 PolarHBondContact O-N 3.12Å; S470-W473 PolarHBondContact O-N 3.25Å; W473-M475 VanDerWaalsContact C-N 3.32Å; W473-M475 PolarHBondContact O-N 2.85Å; W473-H476 PolarHBondContact O-N 3.36Å; W473-H476 VanDerWaalsContact O-N 3.13Å; W473-A477 WeakPolarHBondContact O-CB 3.32Å; W473-A477 PolarHBondContact O-N 3.46Å
474S81.2Confident71.4Confident43 Ų4359 Ų5930%0.30137%0.373SS..Hα-helixtrans-60.3-41.5179.6-59.70000112.3L213 S470 S471 H476 A477 S478L213-S474 VanDerWaalsContact CD1-OG 3.31Å; L213-S474 WeakPolarHBondContact CD1-OG 3.48Å; S470-S474 WeakPolarHBondContact O-CB 3.5Å; S470-S474 PolarHBondContact O-N 3.24Å; S470-S474 PolarHBondContact O-OG 3.33Å; S471-S474 PolarHBondContact O-N 2.82Å; S474-H476 VanDerWaalsContact C-N 3.33Å; S474-H476 PolarHBondContact O-N 3.14Å; S474-A477 PolarHBondContact O-N 3.43Å; S474-S478 WeakPolarHBondContact O-CB 3.43Å; S474-S478 PolarHBondContact O-N 3.4Å; S474-S478 PolarHBondContact O-OG 2.98Å
475M77.8Confident69.7Low111 Ų11160 Ų6055%0.54738%0.377SS..Hα-helixtrans-62.7-40.9175.6-171.4177-177.500111.4S471 A472 W473 S478 V479S471-M475 WeakPolarHBondContact O-CB 3.42Å; S471-M475 PolarHBondContact O-N 2.94Å; A472-M475 PolarHBondContact O-N 2.91Å; W473-M475 VanDerWaalsContact C-N 3.32Å; W473-M475 PolarHBondContact O-N 2.85Å; M475-S478 WeakPolarHBondContact CA-OG 3.3Å; M475-S478 PolarHBondContact O-OG 3.19Å; M475-V479 WeakPolarHBondContact O-CG2 3.48Å; M475-V479 PolarHBondContact O-N 3.42Å; M475-V479 VanDerWaalsContact O-N 3.1Å
476H73.1Confident67.9Low15 Ų1561 Ų617%0.06938%0.381CS..Hα-helixtrans-68.8-43.9175.6-172.4-47.4000111.9R146 C150 E153 A472 W473 S474 S478 V479 V480R146-H476 PolarHBondContact NH2-CE1 3.35Å; R146-H476 PolarHBondContact NH2-NE2 3.21Å; C150-H476 HydrophobicContact CB-CB 4.33Å; C150-H476 WeakPolarHBondContact SG-CB 3.4Å; C150-H476 PolarHBondContact SG-CD2 3.39Å; C150-H476 VanDerWaalsContact SG-CG 3.6Å; E153-H476 IonicContact OE1-NE2 3.18Å; E153-H476 IonicContact OE2-CD2 2.77Å; E153-H476 PolarHBondContact OE2-CD2 3.17Å; E153-H476 IonicContact OE2-CG 3.95Å; E153-H476 IonicContact OE2-NE2 3.39Å; A472-H476 PolarHBondContact O-N 3.38Å; A472-H476 VanDerWaalsContact O-N 3.11Å; W473-H476 PolarHBondContact O-N 3.36Å; W473-H476 VanDerWaalsContact O-N 3.13Å; S474-H476 VanDerWaalsContact C-N 3.33Å; S474-H476 PolarHBondContact O-N 3.14Å; H476-S478 VanDerWaalsContact C-N 3.3Å; H476-S478 PolarHBondContact O-N 3.31Å; H476-V479 PolarHBondContact O-N 2.93Å; H476-V480 WeakPolarHBondContact CE1-CG2 3.41Å; H476-V480 VanDerWaalsContact ND1-CG2 3.29Å; H476-V480 WeakPolarHBondContact ND1-CG2 3.34Å; H476-V480 WeakPolarHBondContact O-CG2 2.8Å; H476-V480 PolarHBondContact O-N 3.38Å
477A73.1Confident65.9Low42 Ų4259.5 Ų59.535%0.34737%0.365SS..Hα-helixtrans-59.2-43.4179.900000111.2W473 S474 V480 A481W473-A477 WeakPolarHBondContact O-CB 3.32Å; W473-A477 PolarHBondContact O-N 3.46Å; S474-A477 PolarHBondContact O-N 3.43Å; A477-V480 PolarHBondContact O-N 3.41Å; A477-A481 WeakPolarHBondContact O-CB 3.28Å; A477-A481 PolarHBondContact O-N 2.97Å
478S69.3Low63.5Low68 Ų6863.5 Ų63.548%0.47639%0.393SS..Hα-helixtrans-65.7-38.7174.848.30000113.1S474 M475 H476 A481 A482S474-S478 WeakPolarHBondContact O-CB 3.43Å; S474-S478 PolarHBondContact O-N 3.4Å; S474-S478 PolarHBondContact O-OG 2.98Å; M475-S478 WeakPolarHBondContact CA-OG 3.3Å; M475-S478 PolarHBondContact O-OG 3.19Å; H476-S478 VanDerWaalsContact C-N 3.3Å; H476-S478 PolarHBondContact O-N 3.31Å; S478-A481 PolarHBondContact O-N 3.27Å; S478-A482 VanDerWaalsContact O-CB 3.3Å; S478-A482 WeakPolarHBondContact O-CB 3.39Å; S478-A482 PolarHBondContact O-N 2.9Å
479V65.9Low61.1Low54 Ų5466.8 Ų66.833%0.32741%0.41SS..Hα-helixtrans-65.5-38.3174.6169.80000112.4M475 H476 A482 R483M475-V479 WeakPolarHBondContact O-CG2 3.48Å; M475-V479 PolarHBondContact O-N 3.42Å; M475-V479 VanDerWaalsContact O-N 3.1Å; H476-V479 PolarHBondContact O-N 2.93Å; V479-A482 PolarHBondContact O-N 3.48Å; V479-R483 WeakPolarHBondContact O-CG 3.46Å; V479-R483 PolarHBondContact O-N 3.37Å; V479-R483 VanDerWaalsContact O-N 3.11Å
480V63.6Low58.5Low37 Ų3769.4 Ų69.422%0.22444%0.438CS..Hα-helixtrans-68.1-46.2176171.70000110.9H476 A477 A482 R483H476-V480 WeakPolarHBondContact CE1-CG2 3.41Å; H476-V480 VanDerWaalsContact ND1-CG2 3.29Å; H476-V480 WeakPolarHBondContact ND1-CG2 3.34Å; H476-V480 WeakPolarHBondContact O-CG2 2.8Å; H476-V480 PolarHBondContact O-N 3.38Å; A477-V480 PolarHBondContact O-N 3.41Å; V480-A482 VanDerWaalsContact C-N 3.26Å; V480-A482 PolarHBondContact O-N 3.17Å; V480-R483 PolarHBondContact O-N 2.84Å
481A60.8Low56Low81 Ų8174.3 Ų74.367%0.66947%0.469SS*.Hα-helixtrans-57.3-40.6175.200000111.6A477 S478A477-A481 WeakPolarHBondContact O-CB 3.28Å; A477-A481 PolarHBondContact O-N 2.97Å; S478-A481 PolarHBondContact O-N 3.27Å
482A58.2Low53.6Low87 Ų8776.6 Ų76.672%0.71948%0.476SS*.Hα-helixtrans-72-27179.300000114.3S478 V479 V480S478-A482 VanDerWaalsContact O-CB 3.3Å; S478-A482 WeakPolarHBondContact O-CB 3.39Å; S478-A482 PolarHBondContact O-N 2.9Å; V479-A482 PolarHBondContact O-N 3.48Å; V480-A482 VanDerWaalsContact C-N 3.26Å; V480-A482 PolarHBondContact O-N 3.17Å
483R49.8Very low51Low168 Ų16879.5 Ų79.563%0.63451%0.506SS*.Hα-helixtrans-83.7-11.5-177.3-79.2-179175.4174.32.1113.9V479 V480 V485V479-R483 WeakPolarHBondContact O-CG 3.46Å; V479-R483 PolarHBondContact O-N 3.37Å; V479-R483 VanDerWaalsContact O-N 3.11Å; V480-R483 PolarHBondContact O-N 2.84Å; R483-V485 HydrophobicContact CB-CB 4.37Å; R483-V485 HydrophobicContact CB-CG2 4.27Å; R483-V485 WeakPolarHBondContact O-CG2 3.38Å; R483-V485 PolarHBondContact O-N 3.44Å
484G37.1Very low48.4Very low71 Ų7186.3 Ų86.373%0.73254%0.54SS*.THydrogen-bonded Turntrans58.47.6-174.400000113.8T486G484-T486 PolarHBondContact O-N 3.47Å
485V36.5Very low46Very low75 Ų7588.4 Ų88.446%0.45555%0.55SS.*  trans-92100.1176.7178.10000105.5R483 Y487R483-V485 HydrophobicContact CB-CB 4.37Å; R483-V485 HydrophobicContact CB-CG2 4.27Å; R483-V485 WeakPolarHBondContact O-CG2 3.38Å; R483-V485 PolarHBondContact O-N 3.44Å; V485-Y487 HydrophobicContact CG1-CD2 4.22Å; V485-Y487 PolarHBondContact O-N 2.9Å
486T30.6Very low43.8Very low131 Ų13187.9 Ų87.980%0.80455%0.546SS*.  trans-56.2100.3152.149.70000105.5G484 S488G484-T486 PolarHBondContact O-N 3.47Å; T486-S488 PolarHBondContact O-N 3.29Å
487Y31.9Very low41.7Very low116 Ų11692.7 Ų92.746%0.45557%0.569SS.*  trans-54.8120.7166-101.1-96.3000105.4V485 D489V485-Y487 HydrophobicContact CG1-CD2 4.22Å; V485-Y487 PolarHBondContact O-N 2.9Å; Y487-D489 CarbonylContact O-C 3.59Å; Y487-D489 PolarHBondContact O-N 3Å
488S31.6Very low39.7Very low104 Ų10495.6 Ų95.673%0.72758%0.582SS**SBendtrans-68.940.7164.165.40000110.6T486 G490T486-S488 PolarHBondContact O-N 3.29Å; S488-G490 PolarHBondContact O-N 3.39Å
489D32.4Very low37.9Very low87 Ų8797.7 Ų97.747%0.46558%0.58SS.*SBendtrans-80.780.6141.2-72.4-24.2000102.3R146 Y487R146-D489 IonicContact NH1-OD2 2.74Å; R146-D489 PolarHBondContact NH1-OD2 3.36Å; R146-D489 VanDerWaalsContact NH1-OD2 3.07Å; Y487-D489 CarbonylContact O-C 3.59Å; Y487-D489 PolarHBondContact O-N 3Å
490G28.6Very low35.9Very low56 Ų56101 Ų10158%0.57760%0.601SS**  trans-46.8139.8-169.100000111.2S488 L492S488-G490 PolarHBondContact O-N 3.39Å; G490-L492 PolarHBondContact O-N 3.02Å
491P27.2Very low34.3Very low118 Ų118105.2 Ų105.277%0.76662%0.618SS**  trans-57.7118.6166.627.6-30000105.9G493P491-G493 VanDerWaalsContact C-N 3.25Å; P491-G493 WeakPolarHBondContact O-CA 3.46Å; P491-G493 PolarHBondContact O-N 3.39Å
492L31.5Very low32.6Very low104 Ų104105 Ų10555%0.54561%0.61SS.*SBendtrans1964.6146.8-73155.3000114.6Q139 G490Q139-L492 HydrophobicContact CG-CD2 3.75Å; G490-L492 PolarHBondContact O-N 3.02Å
493G26.8Very low31.2Very low62 Ų62109.2 Ų109.264%0.63962%0.619SS**  trans-16630.4-158.600000113.2P491P491-G493 VanDerWaalsContact C-N 3.25Å; P491-G493 WeakPolarHBondContact O-CA 3.46Å; P491-G493 PolarHBondContact O-N 3.39Å
494E29.6Very low30Very low183 Ų183111.8 Ų111.886%0.85563%0.629SS**SBendtrans-116.794.7157-76.6-176.8170.600106.8
495V29.7Very low29.4Very low87 Ų87114.8 Ų114.853%0.52763%0.627SS.*SBendtrans67.754.5175.5-153.80000116Y235Y235-V495 VanDerWaalsContact OH-CG1 3.24Å; Y235-V495 WeakPolarHBondContact OH-CG1 3.29Å
496E31.7Very low28.8Very low99 Ų99119.6 Ų119.646%0.46365%0.645SS.*  trans-90.181.7142.8-77.9-169-175.900108.1V498E496-V498 HydrophobicContact CB-CG2 4.41Å; E496-V498 PolarHBondContact O-N 3.42Å
497H30.5Very low28.5Very low117 Ų117118.5 Ų118.554%0.54264%0.638SS.*  trans-74.179.6144.8-67.8-77.7000106.2Y235 Y499Y235-H497 HydrophobicContact CE1-CB 3.94Å; Y235-H497 WeakPolarHBondContact OH-CB 3.42Å; H497-Y499 PolarHBondContact O-N 3.05Å
498V30.1Very low28.1Very low102 Ų102117.7 Ų117.762%0.61865%0.647SS**  trans-54.6118.8140.1177.20000104.2E496 T500E496-V498 HydrophobicContact CB-CG2 4.41Å; E496-V498 PolarHBondContact O-N 3.42Å; V498-T500 PolarHBondContact O-N 3.46Å
499Y31.6Very low27.8Very low113 Ų113115.8 Ų115.844%0.44364%0.644SS.*  trans-45.6106.8-178.6-175.5-92.9000110.4I362 H497 E501I362-Y499 HydrophobicContact CG2-CE1 4.33Å; I362-Y499 HydrophobicContact CG2-CE2 4.28Å; I362-Y499 WeakPolarHBondContact CG2-OH 3.09Å; I362-Y499 WeakPolarHBondContact O-CE2 3.34Å; H497-Y499 PolarHBondContact O-N 3.05Å; Y499-E501 HydrophobicContact CD1-CB 4.42Å; Y499-E501 HydrophobicContact CE1-CB 3.86Å; Y499-E501 HydrophobicContact CE1-CG 4.16Å
500T25.2Very low27.4Very low123 Ų123121 Ų12176%0.75566%0.663SS**  trans-87.7108.2163.117.80000107.2V498V498-T500 PolarHBondContact O-N 3.46Å
501E28.9Very low27.2Very low126 Ų126125.8 Ų125.859%0.58968%0.675SS**  trans-53.3132.8175.7-167.2179.5-163.100110.3Y499 L503Y499-E501 HydrophobicContact CD1-CB 4.42Å; Y499-E501 HydrophobicContact CE1-CB 3.86Å; Y499-E501 HydrophobicContact CE1-CG 4.16Å; E501-L503 PolarHBondContact O-N 3.23Å; E501-L503 VanDerWaalsContact O-N 3.13Å
502P24.4Very low27.1Very low76 Ų76125.6 Ų125.649%0.49468%0.676SS.*  trans-68.3114.6172.227.3-29.2000108R504P502-R504 PolarHBondContact O-N 2.91Å
503L29Very low26.8Very low175 Ų175127.4 Ų127.492%0.91669%0.685SS**SBendtrans-58.8-2.2-176-85.9160.5000115.5E501E501-L503 PolarHBondContact O-N 3.23Å; E501-L503 VanDerWaalsContact O-N 3.13Å
504R25.7Very low26.8Very low222 Ų222133.3 Ų133.384%0.83869%0.694SS**  trans-153.8122.5174-98.6169.4-170.8172.51.9111.4P502 E506P502-R504 PolarHBondContact O-N 2.91Å; R504-E506 PolarHBondContact O-N 2.97Å
505L24.8Very low26.7Very low134 Ų134130.6 Ų130.670%0.70270%0.695SS**  trans-72.898.4164-114.8140.4000108.3I362 V507I362-L505 HydrophobicContact CD1-CD1 4.18Å; L505-V507 HydrophobicContact CD2-CG2 4.41Å; L505-V507 PolarHBondContact O-N 3.2Å
506E23.1Very low26.6Very low176 Ų176133.4 Ų133.482%0.82271%0.707SS**  trans-81101.7160.5-72.6-168.9174.500107.7R504 P508R504-E506 PolarHBondContact O-N 2.97Å; E506-P508 VanDerWaalsContact O-CD 3.29Å; E506-P508 WeakPolarHBondContact O-CD 3.18Å
507V24.6Very low26.6Very low109 Ų109133.5 Ų133.566%0.66172%0.716SS**  trans-67.8116171.5-176.80000107.2L505 G509L505-V507 HydrophobicContact CD2-CG2 4.41Å; L505-V507 PolarHBondContact O-N 3.2Å; V507-G509 PolarHBondContact O-N 3.15Å
508P23.4Very low26.3Very low99 Ų99135.5 Ų135.564%0.64373%0.731SS**  trans-66132.4171.8-10.426.2000107.9E506E506-P508 VanDerWaalsContact O-CD 3.29Å; E506-P508 WeakPolarHBondContact O-CD 3.18Å
509G24.9Very low26.1Very low64 Ų64136.6 Ų136.666%0.6674%0.743SS**  trans-52142.3177.400000112V507 D511V507-G509 PolarHBondContact O-N 3.15Å; G509-D511 VanDerWaalsContact C-N 3.27Å; G509-D511 PolarHBondContact O-N 2.78Å
510F24.4Very low25.8Very low196 Ų196135.7 Ų135.786%0.8676%0.759SS**SBendtrans-61.680.7174.9-80-93.6000111.4
511D24.2Very low25.8Very low156 Ų156134.1 Ų134.183%0.83476%0.758SS**  trans-135.372.3171.2-78.2-37.4000110.8G509G509-D511 VanDerWaalsContact C-N 3.27Å; G509-D511 PolarHBondContact O-N 2.78Å
512S25.8Very low25.6Very low114 Ų114133.8 Ų133.880%0.79777%0.77SS**  trans-163.261.3147.769.80000111.2
513I25.4Very low25.7Very low143 Ų143134.7 Ų134.773%0.73378%0.778SS**  trans-87.2136.5150.4-61.3173.3000104.7
514F25.8Very low25.4Very low186 Ų186132.4 Ų132.482%0.81677%0.771SS**  trans89.394.5-173.9-57.7-78.9000116.6
515S27.9Very low25.3Very low126 Ų126128.5 Ų128.588%0.88177%0.765SS**  -134.4121.2128.938.80000109.3
516N27.2Very low25.4Very low146 Ų146127.9 Ų127.978%0.78177%0.772SS**  trans-67.5160.4-173.1-111-13.7000113
517P31Very low25.3Very low101 Ų101124.8 Ų124.866%0.65677%0.77SS**  trans-82.4135.617434.5-29.5000110.2
518N24.7Very low25.2Very low159 Ų159124.3 Ų124.385%0.8578%0.777SS**  trans168.1115.8143.2-89.3-24.4000111.6
519S27Very low25.3Very low125 Ų125124.5 Ų124.587%0.87478%0.781SS**  trans-161.788.713630.30000108.6
520A24.4Very low25.2Very low94 Ų94126.3 Ų126.378%0.77778%0.783SS**  trans-73122.2158.500000107.4
521A25.2Very low25.1Very low89 Ų89123.5 Ų123.574%0.73678%0.782SS**  85.6121.186.100000113.3
522S25.6Very low25Very low119 Ų119121 Ų12183%0.83278%0.777SS**  trans176.4140.7146.1-76.90000108.5
523S24.6Very low24.9Very low95 Ų95122.3 Ų122.366%0.66478%0.78SS**  cis173.6151.6-15.547.80000105.6
524V23.6Very low24.9Very low127 Ų127120.5 Ų120.577%0.7778%0.779SS**  73.5127.2129.1160.80000115.5
525I23.5Very low24.8Very low141 Ų141118.9 Ų118.972%0.72378%0.779SS**  cis-164.514222.3-51.1-179.8000105.8
526S26.3Very low24.8Very low120 Ų120118.9 Ų118.984%0.83977%0.773SS**  174.8155.291.640.40000111.9
527S22.1Very low24.6Very low111 Ų111118.1 Ų118.178%0.77677%0.77SS**  trans-122.4168.6-152.645.30000113.6
528A22.3Very low24.7Very low99 Ų99117.3 Ų117.382%0.81877%0.766SS**  trans82.5139.4162.700000115.5
529S24.9Very low24.9Very low104 Ų104114.9 Ų114.973%0.72775%0.749SS**  cis-162.3134.622.649.20000108.5
530S23Very low25Very low101 Ų101114.8 Ų114.871%0.70674%0.739SS**  95.6123.592.177.30000116.1
531V22.2Very low25.3Very low137 Ų137115.4 Ų115.483%0.8373%0.73SS**  trans70.2108.7151-170.20000118.3
532S23.4Very low25.5Very low104 Ų104118.1 Ų118.173%0.72773%0.725SS**  -165.4130.899.963.70000112.1
533T22.9Very low25.7Very low141 Ų141114.8 Ų114.887%0.86571%0.705SS**  trans-68.3125.2162.845.40000109.3
534C24.6Very low25.9Very low106 Ų106118.6 Ų118.672%0.71670%0.704SS**  trans-140122.515355.80000110.4V536C534-V536 PolarHBondContact O-N 3.09Å
535N24.3Very low26.2Very low151 Ų151118 Ų11881%0.80770%0.696SS**  trans-51.8127167-58.4-46.2000109.4
536V28.1Very low26.4Very low126 Ų126114.2 Ų114.276%0.76469%0.686SS**  trans-127.492154.2-171.80000106.5C534 S538C534-V536 PolarHBondContact O-N 3.09Å; V536-S538 PolarHBondContact O-N 2.78Å; V536-S538 VanDerWaalsContact O-N 3.13Å
537D23.9Very low26.6Very low131 Ų131115.1 Ų115.170%0.70168%0.677SS**  trans-56.5106.6164.6-71.3-45.2000108.8
538S32Very low26.8Very low83 Ų83116 Ų11658%0.5867%0.673SS**  trans-105.38.4160.153.30000112.3V536 N540 D541V536-S538 PolarHBondContact O-N 2.78Å; V536-S538 VanDerWaalsContact O-N 3.13Å; S538-N540 PolarHBondContact O-N 3.49Å; S538-D541 PolarHBondContact O-N 3.01Å
539E29.6Very low27.1Very low108 Ų108118.6 Ų118.651%0.50567%0.673SS.*Hα-helixtrans-69.5-9.6175-103.8-178151.400113.4R869E539-R869 IonicContact OE1-CZ 2.72Å; E539-R869 VanDerWaalsContact OE1-CZ 3.27Å; E539-R869 IonicContact OE1-NE 3.71Å; E539-R869 PolarHBondContact OE1-NE 3.26Å; E539-R869 IonicContact OE1-NH2 3.46Å; E539-R869 PolarHBondContact OE1-NH2 2.91Å; E539-R869 IonicContact OE2-NH2 2.69Å; E539-R869 PolarHBondContact OE2-NH2 3.36Å
540N28.9Very low27.1Very low123 Ų123117.2 Ų117.266%0.65867%0.668SS**Hα-helixtrans-91.3-6.4176.7-89.1-17.1000115.5S538S538-N540 PolarHBondContact O-N 3.49Å
541D29.8Very low27.1Very low108 Ų108119.1 Ų119.158%0.57867%0.669SS**Hα-helixtrans-96.9-20.4176-76-31.2000113.4S538 L545S538-D541 PolarHBondContact O-N 3.01Å; D541-L545 PolarHBondContact O-N 3.23Å
542F29.6Very low27.2Very low145 Ų145122.3 Ų122.364%0.63667%0.672SS**Hα-helixtrans-78.6-27.3171.2-86.3-86.6000113.3R544 L545 A546F542-R544 VanDerWaalsContact C-N 3.33Å; F542-L545 PolarHBondContact O-N 3.34Å; F542-A546 WeakPolarHBondContact O-CB 3.33Å; F542-A546 PolarHBondContact O-N 2.72Å
543A29.4Very low27.3Very low49 Ų49123.7 Ų123.741%0.40568%0.676SS.*Hα-helixtrans-69.8-29.9174.100000112.6Q547A543-Q547 WeakPolarHBondContact O-CB 3.25Å; A543-Q547 PolarHBondContact O-N 3.4Å
544R29.3Very low27.4Very low175 Ų175124.5 Ų124.566%0.6668%0.675SS**Hα-helixtrans-78.5-26.1174.8-77.1-177.5168.2170.8-2.5113.6F542 N548F542-R544 VanDerWaalsContact C-N 3.33Å; R544-N548 PolarHBondContact O-N 3.27Å; R544-N548 PolarHBondContact O-ND2 2.99Å
545L29.9Very low27.3Very low115 Ų115127.5 Ų127.560%0.60268%0.683SS**Hα-helixtrans-79.1-33172-116.2146.4000112.1D541 F542D541-L545 PolarHBondContact O-N 3.23Å; F542-L545 PolarHBondContact O-N 3.34Å
546A28Very low27.2Very low62 Ų62124.6 Ų124.651%0.51268%0.68SS.*Hα-helixtrans-73.9-30.9173.100000113.3F542 N548 L549F542-A546 WeakPolarHBondContact O-CB 3.33Å; F542-A546 PolarHBondContact O-N 2.72Å; A546-N548 VanDerWaalsContact C-N 3.32Å; A546-L549 PolarHBondContact O-N 3.07Å
547Q30.8Very low27Very low139 Ų139125.3 Ų125.365%0.6568%0.684SS**Hα-helixtrans-71.8-23173.1-91174.7-16.600113.8A543A543-Q547 WeakPolarHBondContact O-CB 3.25Å; A543-Q547 PolarHBondContact O-N 3.4Å
548N25.5Very low26.9Very low130 Ų130125.5 Ų125.570%0.69568%0.684SS**THydrogen-bonded Turntrans-88.2-3.6175.6-74.7-38.6000114.2R544 A546R544-N548 PolarHBondContact O-N 3.27Å; R544-N548 PolarHBondContact O-ND2 2.99Å; A546-N548 VanDerWaalsContact C-N 3.32Å
549L28.4Very low26.3Very low153 Ų153131.1 Ų131.180%0.80170%0.698SS**THydrogen-bonded Turntrans-103.84.8170.7-80.7159.9000113.2A546A546-L549 PolarHBondContact O-N 3.07Å
550A24.9Very low26Very low75 Ų75130.4 Ų130.462%0.6271%0.705SS**SBendtrans-11019.2-179.600000114.2
551L23.4Very low25.6Very low140 Ų140130.1 Ų130.173%0.73371%0.708SS**  trans-121.387.2176.9-74170.9000111.8
552K25.3Very low25.3Very low205 Ų205132.2 Ų132.289%0.89172%0.719SS**  trans173.868.7135.9-96.4178.3-179-179.30109.9
553T24.3Very low24.9Very low132 Ų132133.4 Ų133.481%0.8173%0.726SS**  trans-104.882.7146.449.20000106.9
554N25.7Very low24.7Very low158 Ų158137.4 Ų137.485%0.84575%0.746SS**  trans-111109156.8-87-15000106.8
555L22.2Very low24.3Very low169 Ų169134.1 Ų134.189%0.88575%0.749SS**  trans-52.3141.7151-84.192.3000108.9
556A22.3Very low24.1Very low90 Ų90136 Ų13674%0.74476%0.755SS**  trans137.875.4149.400000110.5
557V23.4Very low24Very low141 Ų141139.7 Ų139.786%0.85576%0.762SS**  trans-117.5115.2144.7179.10000106.7
558I21.9Very low23.6Very low135 Ų135139.7 Ų139.769%0.69276%0.762SS**  trans-59.6122.3-177.2-67.3153.5000109.2S560I558-S560 VanDerWaalsContact CG2-OG 3.28Å; I558-S560 WeakPolarHBondContact CG2-OG 3.4Å; I558-S560 PolarHBondContact O-N 2.87Å
559F20.3Very low23.6Very low202 Ų202142.8 Ų142.889%0.88677%0.772SS**  trans-80.694.9153.3-84-83.1000106.3V561F559-V561 PolarHBondContact O-N 2.78Å
560S22.3Very low23.3Very low93 Ų93143.5 Ų143.565%0.6577%0.771SS**  trans-76.398.6158.7-71.70000106.3I558 D562I558-S560 VanDerWaalsContact CG2-OG 3.28Å; I558-S560 WeakPolarHBondContact CG2-OG 3.4Å; I558-S560 PolarHBondContact O-N 2.87Å; S560-D562 PolarHBondContact O-N 3.25Å
561V21.5Very low23.4Very low117 Ų117144.5 Ų144.571%0.70978%0.779SS**  trans-72.7103.8154.1174.70000104.9F559 E563F559-V561 PolarHBondContact O-N 2.78Å; V561-E563 HydrophobicContact CG1-CG 4.5Å
562D23.7Very low23.4Very low151 Ų151147.3 Ų147.381%0.80779%0.788SS**  trans-101.8111.2157.9-90.1-25.9000107.4S560S560-D562 PolarHBondContact O-N 3.25Å
563E20.9Very low23.2Very low171 Ų171141.9 Ų141.980%0.79978%0.782SS**  trans-61.5131.6158.7-65.3176145.200108.7V561V561-E563 HydrophobicContact CG1-CG 4.5Å
564T24.7Very low23.6Very low132 Ų132140.9 Ų140.981%0.8178%0.778SS**  trans-170.697.4141.718.70000109.5
565S22.1Very low23.4Very low106 Ų106139.7 Ų139.774%0.74178%0.776SS**  15.8122.4125.5-33.30000117.5
566E25.1Very low23.5Very low155 Ų155140.9 Ų140.972%0.72478%0.777SS**  171.8128.396.5-90-170.7154.800113.2
567Q24.7Very low23.4Very low139 Ų139145.3 Ų145.365%0.6578%0.782SS**  trans58.2143.1133.1-58.1175.616.500119.4
568Q22.9Very low23.9Very low140 Ų140143.5 Ų143.565%0.65477%0.773SS**  cis-178.1139.6-2.6-107.6170-8.900103.2
569H25.9Very low23.9Very low194 Ų194147.4 Ų147.490%0.89878%0.78SS**  -162.5113.6128.7-112.2-69000109.6
570E21.5Very low24Very low169 Ų169148 Ų14879%0.7978%0.776SS**  trans-67149.6172-65.3164135.700111.7
571A26.7Very low23.9Very low95 Ų95155.1 Ų155.179%0.78579%0.788SS**  trans-166.899.8130.200000110.5
572E25.3Very low23.9Very low199 Ų199154.4 Ų154.493%0.9379%0.789SS**  trans43.2131.4135.7-64.6179.7147.300123
573A20.7Very low23.8Very low92 Ų92152 Ų15276%0.7678%0.783SS**  trans-80.9-155.1174.400000111.7
574P31.5Very low23.9Very low111 Ų111149.6 Ų149.672%0.72178%0.781SS**  cis-144.4172.2-9.2225.6000117.1
575V22.3Very low23.8Very low133 Ų133152.6 Ų152.681%0.80678%0.782SS**  trans54.8117.4139.1179.20000121
576E23.8Very low23.8Very low193 Ų193157.2 Ų157.290%0.90279%0.789SS**  -168.5140.7121.7-109.4-179.9178.400112.6
577Q21.3Very low23.7Very low183 Ų183154.7 Ų154.786%0.85579%0.787SS**  trans-104.5-168.6170.2-63.4-177.2-13.100109.6
578P32.6Very low23.6Very low103 Ų103160.3 Ų160.367%0.66980%0.802SS**  -125.7170.5-83.838-20.9000113
579R22Very low23.4Very low218 Ų218161.6 Ų161.682%0.82381%0.812SS**  trans163.9140.7135-95.1169-179.4-176.63.2116.9
580R23.4Very low23.2Very low214 Ų214158.5 Ų158.581%0.80881%0.806SS**  trans93.8107.6139.7-78.6172-179.3-172.20.5121.9
581R20.6Very low23.2Very low243 Ų243155.4 Ų155.492%0.91780%0.803SS**  9.5142.5115.9-70.7-179.3-179178.5-0.3116.1
582S21.2Very low23.1Very low102 Ų102158.3 Ų158.371%0.71380%0.804SS**  cis-179.7158.116.846.20000112.2
583S21.5Very low22.9Very low99 Ų99154.4 Ų154.469%0.69280%0.798SS**  trans107.3144.1130.882.80000121.9
584T22.9Very low23.1Very low122 Ų122154.6 Ų154.675%0.74879%0.794SS**  trans92125.3165.171.60000115.2
585K22.3Very low22.7Very low194 Ų194157.5 Ų157.584%0.84380%0.803SS**  cis-163.1139.321.1-106.6149.5179.3-175.10110.5
586F21.3Very low22.8Very low203 Ų203157.4 Ų157.489%0.8980%0.798SS**  trans-91.7156.1141.7-83-82.2000106.5
587P24.1Very low22.8Very low102 Ų102153.9 Ų153.966%0.66279%0.792SS**  -146.3179.350.438.5-18.2000114.5
588W21.8Very low22.9Very low258 Ų258154.9 Ų154.998%0.97779%0.788SS**  trans-158.9124.1131.6-65.8-26.9000109.1
589I19.3Very low22.7Very low166 Ų166154.3 Ų154.385%0.85179%0.791SS**  trans-123.2125.3156.7-73.9173.7000104.3
590V22.1Very low23Very low130 Ų130149.7 Ų149.779%0.78879%0.787SS**  trans-171.9119.8134.8166.20000108.6
591S20.5Very low23.1Very low103 Ų103145.1 Ų145.172%0.7278%0.778SS**  trans40.3106148.3-53.40000121.2
592I24.9Very low23.5Very low156 Ų156139.3 Ų139.380%0.877%0.765SS**  trans-125.7108.7133.4-66.5179.7000108.5S594I592-S594 PolarHBondContact O-N 3.3Å
593S21.2Very low23.9Very low117 Ų117142.1 Ų142.182%0.81877%0.767SS**  trans-66.3104.9157.647.30000110
594S25Very low24.3Very low96 Ų96141.2 Ų141.267%0.67176%0.757SS**  trans-165126.3150.955.80000109.7I592I592-S594 PolarHBondContact O-N 3.3Å
595L22.9Very low24.6Very low172 Ų172138 Ų13890%0.90174%0.738SS**  trans-43.1132.2-178.6-65.691.2000114.7
596N24.3Very low25Very low131 Ų131135.3 Ų135.370%0.70173%0.728SS**  -170.8104.8105.6-150.7-7.7000111.5R598N596-R598 VanDerWaalsContact C-N 3.26Å; N596-R598 PolarHBondContact O-N 3.04Å
597P23Very low25.5Very low120 Ų120131.8 Ų131.878%0.77972%0.717SS**THydrogen-bonded Turntrans-87.453.3-176.836-33.7000112.4
598R24.8Very low25.7Very low204 Ų204131.8 Ų131.877%0.7771%0.711SS**THydrogen-bonded Turntrans-128.71.6-178.2-86.7-173.3174.5172.6-1.8116.4N596N596-R598 VanDerWaalsContact C-N 3.26Å; N596-R598 PolarHBondContact O-N 3.04Å
599A27.9Very low26.2Very low90 Ų90123.7 Ų123.774%0.74469%0.686SS**SBendtrans-113.11.3-175.100000115.4
600V28Very low26.6Very low121 Ų121122.2 Ų122.273%0.73368%0.677SS**SBendtrans-120.51.4179.9-1750000111.8
601L26.4Very low27Very low119 Ų119118 Ų11862%0.62366%0.655SS**SBendtrans-87-26.4173.5-122.883.6000112.4V605L601-V605 HydrophobicContact CD2-CG2 4.44Å; L601-V605 HydrophobicContact CG-CG2 4.33Å; L601-V605 WeakPolarHBondContact O-CB 3.3Å; L601-V605 WeakPolarHBondContact O-CG2 3.18Å; L601-V605 PolarHBondContact O-N 3.09Å
602D27.6Very low27.5Very low121 Ų121117.6 Ų117.665%0.64764%0.642SS**Hα-helixtrans-75.4-34.5-171.2-69.7-18.5000113.4E606D602-E606 PolarHBondContact O-N 2.81Å
603E30.1Very low27.8Very low161 Ų161113.8 Ų113.875%0.75262%0.623SS**Hα-helixtrans-75.7-28.9176.9-109-174.7153.200113.5
604V28.8Very low28.4Very low80 Ų80116.9 Ų116.949%0.48562%0.617SS.*Hα-helixtrans-86.8-26.6179.7-178.70000111L608V604-L608 HydrophobicContact CG1-CD1 3.79Å; V604-L608 WeakPolarHBondContact O-CB 3.11Å; V604-L608 WeakPolarHBondContact O-CG 3.43Å; V604-L608 PolarHBondContact O-N 3.29Å
605V30.8Very low28.7Very low55 Ų55115.8 Ų115.833%0.33360%0.603SS.*Hα-helixtrans-75-33.2175.2169.70000111.6L601 L608 I609L601-V605 HydrophobicContact CD2-CG2 4.44Å; L601-V605 HydrophobicContact CG-CG2 4.33Å; L601-V605 WeakPolarHBondContact O-CB 3.3Å; L601-V605 WeakPolarHBondContact O-CG2 3.18Å; L601-V605 PolarHBondContact O-N 3.09Å; V605-L608 PolarHBondContact O-N 2.77Å; V605-I609 HydrophobicContact CG1-CD1 3.28Å; V605-I609 HydrophobicContact CG1-CG1 3.86Å; V605-I609 WeakPolarHBondContact O-CB 3.38Å; V605-I609 WeakPolarHBondContact O-CG1 3.32Å; V605-I609 PolarHBondContact O-N 3.09Å
606E30.3Very low29.1Very low136 Ų136111 Ų11164%0.63658%0.578SS**Hα-helixtrans-65.8-38.7172.6-98.3-161.1151.300113.1D602 M610D602-E606 PolarHBondContact O-N 2.81Å; E606-M610 VanDerWaalsContact O-CB 3.31Å; E606-M610 WeakPolarHBondContact O-CB 3.4Å; E606-M610 VanDerWaalsContact O-CG 3.28Å; E606-M610 WeakPolarHBondContact O-CG 3.36Å; E606-M610 PolarHBondContact O-N 2.84Å
607I31.2Very low29.5Very low129 Ų129106.9 Ų106.966%0.66256%0.556SS**Hα-helixtrans-74.7-35.1178.8-62.5175.5000111.1A611I607-A611 WeakPolarHBondContact O-CB 3.33Å; I607-A611 PolarHBondContact O-N 3.24Å; I607-A611 VanDerWaalsContact O-N 3.15Å
608L29Very low30Very low103 Ų103109.5 Ų109.554%0.53955%0.55SS..Hα-helixtrans-76-35.8175-78.3165.6000112.9V604 V605 A611 E612V604-L608 HydrophobicContact CG1-CD1 3.79Å; V604-L608 WeakPolarHBondContact O-CB 3.11Å; V604-L608 WeakPolarHBondContact O-CG 3.43Å; V604-L608 PolarHBondContact O-N 3.29Å; V605-L608 PolarHBondContact O-N 2.77Å; L608-A611 PolarHBondContact O-N 3.03Å; L608-E612 WeakPolarHBondContact O-CB 3.42Å; L608-E612 PolarHBondContact O-N 3.15Å
609I31.3Very low30.2Very low88 Ų88105.8 Ų105.845%0.45154%0.539SS..Hα-helixtrans-69.8-40.2175.6-71.5177.4000110.4V605 A611 E612 I613V605-I609 HydrophobicContact CG1-CD1 3.28Å; V605-I609 HydrophobicContact CG1-CG1 3.86Å; V605-I609 WeakPolarHBondContact O-CB 3.38Å; V605-I609 WeakPolarHBondContact O-CG1 3.32Å; V605-I609 PolarHBondContact O-N 3.09Å; I609-A611 VanDerWaalsContact C-N 3.3Å; I609-A611 PolarHBondContact O-N 3.03Å; I609-E612 PolarHBondContact O-N 3.08Å; I609-I613 HydrophobicContact CG2-CD1 3.45Å; I609-I613 VanDerWaalsContact CG2-CD1 3.45Å; I609-I613 HydrophobicContact CG2-CG1 4.1Å; I609-I613 VanDerWaalsContact O-CB 3.24Å; I609-I613 WeakPolarHBondContact O-CB 3.43Å; I609-I613 WeakPolarHBondContact O-CG1 3.26Å; I609-I613 PolarHBondContact O-N 3.34Å
610M29.2Very low30.4Very low134 Ų134108.7 Ų108.766%0.6653%0.531SS*.Hα-helixtrans-65.7-32.1173.8-76.9-72.1-16800112.8E606 R614E606-M610 VanDerWaalsContact O-CB 3.31Å; E606-M610 WeakPolarHBondContact O-CB 3.4Å; E606-M610 VanDerWaalsContact O-CG 3.28Å; E606-M610 WeakPolarHBondContact O-CG 3.36Å; E606-M610 PolarHBondContact O-N 2.84Å; M610-R614 WeakPolarHBondContact O-CB 3.38Å; M610-R614 PolarHBondContact O-N 2.9Å
611A29.6Very low30.6Very low41 Ų41106.4 Ų106.434%0.33951%0.514SS..Hα-helixtrans-75.3-42.3174.100000112.3I607 L608 I609 R614 I615I607-A611 WeakPolarHBondContact O-CB 3.33Å; I607-A611 PolarHBondContact O-N 3.24Å; I607-A611 VanDerWaalsContact O-N 3.15Å; L608-A611 PolarHBondContact O-N 3.03Å; I609-A611 VanDerWaalsContact C-N 3.3Å; I609-A611 PolarHBondContact O-N 3.03Å; A611-R614 PolarHBondContact O-N 3.16Å; A611-I615 WeakPolarHBondContact O-CB 3.44Å; A611-I615 WeakPolarHBondContact O-CD1 3.42Å; A611-I615 WeakPolarHBondContact O-CG1 3.38Å; A611-I615 PolarHBondContact O-N 3.13Å
612E31.2Very low30.9Very low95 Ų95102.9 Ų102.944%0.44450%0.502SS..Hα-helixtrans-73.7-33.2-178-158.766.1-145.200112L608 I609 I615 N616L608-E612 WeakPolarHBondContact O-CB 3.42Å; L608-E612 PolarHBondContact O-N 3.15Å; I609-E612 PolarHBondContact O-N 3.08Å; E612-I615 PolarHBondContact O-N 3.06Å; E612-N616 VanDerWaalsContact O-CB 3.31Å; E612-N616 WeakPolarHBondContact O-CB 3.44Å; E612-N616 PolarHBondContact O-N 3.28Å; E612-N616 PolarHBondContact O-ND2 3.09Å
613I32.1Very low31Very low77 Ų77101.5 Ų101.540%0.39550%0.498SS..Hα-helixtrans-67.8-40.6170.8-69.6173.7000110.4I609 I615 L617I609-I613 HydrophobicContact CG2-CD1 3.45Å; I609-I613 VanDerWaalsContact CG2-CD1 3.45Å; I609-I613 HydrophobicContact CG2-CG1 4.1Å; I609-I613 VanDerWaalsContact O-CB 3.24Å; I609-I613 WeakPolarHBondContact O-CB 3.43Å; I609-I613 WeakPolarHBondContact O-CG1 3.26Å; I609-I613 PolarHBondContact O-N 3.34Å; I613-I615 PolarHBondContact O-N 3.1Å; I613-L617 HydrophobicContact CG2-CD1 3.86Å; I613-L617 WeakPolarHBondContact O-CB 3.4Å; I613-L617 PolarHBondContact O-N 3.27Å
614R32.3Very low31.2Very low182 Ų18297.5 Ų97.569%0.68748%0.481SS*.Hα-helixtrans-64.7-37.2173.7-116.9172.9179.1157.4-0112.6M610 A611 R618M610-R614 WeakPolarHBondContact O-CB 3.38Å; M610-R614 PolarHBondContact O-N 2.9Å; A611-R614 PolarHBondContact O-N 3.16Å; R614-R618 WeakPolarHBondContact O-CB 3.28Å; R614-R618 WeakPolarHBondContact O-CG 3.48Å; R614-R618 PolarHBondContact O-N 3.05Å
615I32.9Very low31.5Very low73 Ų7398.2 Ų98.237%0.37448%0.482SS..Hα-helixtrans-76.5-39-180-70.2165.1000111.2A611 E612 I613 R618 K619A611-I615 WeakPolarHBondContact O-CB 3.44Å; A611-I615 WeakPolarHBondContact O-CD1 3.42Å; A611-I615 WeakPolarHBondContact O-CG1 3.38Å; A611-I615 PolarHBondContact O-N 3.13Å; E612-I615 PolarHBondContact O-N 3.06Å; I613-I615 PolarHBondContact O-N 3.1Å; I615-R618 PolarHBondContact O-N 2.92Å; I615-K619 HydrophobicContact CG2-CD 4.23Å; I615-K619 WeakPolarHBondContact O-CG 3.48Å; I615-K619 PolarHBondContact O-N 2.94Å
616N29.4Very low31.4Very low72 Ų7297.8 Ų97.839%0.38548%0.48SS..Hα-helixtrans-74.8-31.9178.1-83.9-50.5000113.4E612 K619 R620E612-N616 VanDerWaalsContact O-CB 3.31Å; E612-N616 WeakPolarHBondContact O-CB 3.44Å; E612-N616 PolarHBondContact O-N 3.28Å; E612-N616 PolarHBondContact O-ND2 3.09Å; N616-K619 PolarHBondContact O-N 2.73Å; N616-R620 WeakPolarHBondContact O-CB 3.44Å; N616-R620 PolarHBondContact O-N 2.91Å
617L33.2Very low31.2Very low44 Ų4495.5 Ų95.523%0.2348%0.477CS..Hα-helixtrans-66.3-40.8168.5-89.3154.1000111.8F433 I613 K619 R620 L621F433-L617 HydrophobicContact CD1-CD1 4.2Å; F433-L617 HydrophobicContact CD1-CD2 3.78Å; F433-L617 HydrophobicContact CE1-CD2 3.99Å; I613-L617 HydrophobicContact CG2-CD1 3.86Å; I613-L617 WeakPolarHBondContact O-CB 3.4Å; I613-L617 PolarHBondContact O-N 3.27Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 3.22Å; L617-R620 PolarHBondContact O-N 3.23Å; L617-L621 HydrophobicContact CD2-CD1 4.3Å; L617-L621 WeakPolarHBondContact O-CB 3.42Å; L617-L621 PolarHBondContact O-N 3.31Å
618R33.6Very low31.3Very low174 Ų17494.5 Ų94.566%0.65747%0.466SS*.Hα-helixtrans-63.1-37.8173.2-83.7-179.9170.8176-3.3112.6R614 I615 A622R614-R618 WeakPolarHBondContact O-CB 3.28Å; R614-R618 WeakPolarHBondContact O-CG 3.48Å; R614-R618 PolarHBondContact O-N 3.05Å; I615-R618 PolarHBondContact O-N 2.92Å; R618-A622 VanDerWaalsContact O-CB 3.28Å; R618-A622 WeakPolarHBondContact O-CB 3.39Å; R618-A622 PolarHBondContact O-N 3.22Å
619K29.7Very low31.4Very low126 Ų12694.5 Ų94.555%0.54847%0.465SS..Hα-helixtrans-72.3-37.8175.7-74.7175.7-179.3172.70112.5I615 N616 L617 V623I615-K619 HydrophobicContact CG2-CD 4.23Å; I615-K619 WeakPolarHBondContact O-CG 3.48Å; I615-K619 PolarHBondContact O-N 2.94Å; N616-K619 PolarHBondContact O-N 2.73Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 3.22Å; K619-V623 WeakPolarHBondContact O-CG2 2.97Å; K619-V623 PolarHBondContact O-N 3.43Å; K619-V623 VanDerWaalsContact O-N 3.16Å
620R31.2Very low31.4Very low152 Ų15297.4 Ų97.457%0.57448%0.48SS*.Hα-helixtrans-81.5-32.4-177.7-77.8-177.2171.5-178.1-2.4114.6N616 L617 V623 L624N616-R620 WeakPolarHBondContact O-CB 3.44Å; N616-R620 PolarHBondContact O-N 2.91Å; L617-R620 PolarHBondContact O-N 3.23Å; R620-V623 PolarHBondContact O-N 3.22Å; R620-L624 PolarHBondContact O-N 2.6Å
621L33.4Very low31.2Very low73 Ų7399.2 Ų99.238%0.38249%0.492SS..Hα-helixtrans-70.6-33.6170.3-95.4138.5000112.1F433 L617 V623 L624F433-L621 HydrophobicContact CE1-CD1 3.91Å; F433-L621 HydrophobicContact CZ-CD1 4.34Å; L617-L621 HydrophobicContact CD2-CD1 4.3Å; L617-L621 WeakPolarHBondContact O-CB 3.42Å; L617-L621 PolarHBondContact O-N 3.31Å; L621-V623 VanDerWaalsContact C-N 3.27Å; L621-V623 PolarHBondContact O-N 2.83Å; L621-L624 PolarHBondContact O-N 2.9Å
622A31.6Very low31.2Very low44 Ų4498.6 Ų98.636%0.36449%0.49SS..Hα-helixtrans-66.8-28.5169.900000112.7R618 I625R618-A622 VanDerWaalsContact O-CB 3.28Å; R618-A622 WeakPolarHBondContact O-CB 3.39Å; R618-A622 PolarHBondContact O-N 3.22Å; A622-I625 PolarHBondContact O-N 3.49Å
623V29.9Very low31.2Very low92 Ų92103 Ų10356%0.55850%0.503SS*.Hα-helixtrans-74.2-26.3175.7167.40000112.6K619 R620 L621 I625K619-V623 WeakPolarHBondContact O-CG2 2.97Å; K619-V623 PolarHBondContact O-N 3.43Å; K619-V623 VanDerWaalsContact O-N 3.16Å; R620-V623 PolarHBondContact O-N 3.22Å; L621-V623 VanDerWaalsContact C-N 3.27Å; L621-V623 PolarHBondContact O-N 2.83Å; V623-I625 VanDerWaalsContact C-N 3.27Å; V623-I625 PolarHBondContact O-N 3.44Å
624L33.7Very low31Very low77 Ų77109.6 Ų109.640%0.40353%0.529SS..THydrogen-bonded Turntrans-73.8-15.5175.3-103.4132.9000113.8V382 R620 L621V382-L624 HydrophobicContact CG1-CD1 4.05Å; R620-L624 PolarHBondContact O-N 2.6Å; L621-L624 PolarHBondContact O-N 2.9Å
625I36.2Very low31.1Very low96 Ų96105.7 Ų105.749%0.49253%0.529SS..THydrogen-bonded Turntrans-98.1-21.1178.7-63.6176.9000112.2A622 V623A622-I625 PolarHBondContact O-N 3.49Å; V623-I625 VanDerWaalsContact C-N 3.27Å; V623-I625 PolarHBondContact O-N 3.44Å
626C29.1Very low32Very low45 Ų45103.8 Ų103.830%0.30452%0.522SS..  trans-163.199.7172.3-147.90000114.8Y628C626-Y628 PolarHBondContact O-N 3.38Å
627P26.6Very low33.7Very low89 Ų89104 Ų10458%0.57853%0.529SS*.THydrogen-bonded Turntrans-70.8-2.5164.1-17.130.4000114.3
628Y31.3Very low35.9Very low108 Ų108109.5 Ų109.542%0.42455%0.551SS.*THydrogen-bonded Turntrans-104.3-5.7-162.5-54.1-72.4000115.7C626 N672 C731C626-Y628 PolarHBondContact O-N 3.38Å; Y628-N672 VanDerWaalsContact CB-ND2 3.32Å; Y628-N672 WeakPolarHBondContact CB-ND2 2.99Å; Y628-C731 PolarHBondContact OH-SG 3.3Å
629M32.6Very low38.5Very low103 Ų103103.8 Ų103.851%0.50753%0.533SS..SBendtrans-94.4-13.5-169.6-84.8-105.9-118.700116.5W633M629-W633 PolarHBondContact O-NE1 3.45Å; M629-W633 HydrophobicContact SD-CZ2 4.37Å
630L30.1Very low41.1Very low149 Ų149101.7 Ų101.778%0.7853%0.526SS*.SBendtrans-113.5-26.2-172.2-84.1154.2000116
631N26.2Very low43.9Very low171 Ų17198.8 Ų98.891%0.91452%0.519SS*.SBendtrans-105.1-3.3-175.5-70.7-17.6000115
632G29.1Very low46.6Very low29 Ų2996.2 Ų96.230%0.29951%0.506SS..  trans-99.3-10.3-176.100000116.5F634 C635 S636G632-F634 VanDerWaalsContact C-N 3.28Å; G632-F634 PolarHBondContact O-N 3Å; G632-F634 VanDerWaalsContact O-N 3.11Å; G632-C635 PolarHBondContact O-N 3.24Å; G632-C635 VanDerWaalsContact O-N 3.13Å; G632-S636 WeakPolarHBondContact O-CB 3.5Å; G632-S636 PolarHBondContact O-N 3.33Å
633W30.5Very low49.4Very low186 Ų18694.2 Ų94.271%0.70549%0.489SS*.Hα-helixtrans-65.7-24.4-162.2-81.858000115M629M629-W633 PolarHBondContact O-NE1 3.45Å; M629-W633 HydrophobicContact SD-CZ2 4.37Å
634F27.9Very low52.2Low216 Ų21693.6 Ų93.695%0.94748%0.479SS*.Hα-helixtrans-89.7-21.3176.9-87.4-85000114.7G632G632-F634 VanDerWaalsContact C-N 3.28Å; G632-F634 PolarHBondContact O-N 3Å; G632-F634 VanDerWaalsContact O-N 3.11Å
635C34.2Very low55Low100 Ų10095.1 Ų95.168%0.67648%0.484SS*.Hα-helixtrans-100.7-19.4176.9-148.20000113G632G632-C635 PolarHBondContact O-N 3.24Å; G632-C635 VanDerWaalsContact O-N 3.13Å
636S52.8Low57.7Low33 Ų3391.3 Ų91.323%0.23146%0.464CS..Hα-helixtrans-71.1-34.7-173.6-175.20000113.9G632 K638 N639 Q640G632-S636 WeakPolarHBondContact O-CB 3.5Å; G632-S636 PolarHBondContact O-N 3.33Å; S636-K638 VanDerWaalsContact C-N 3.35Å; S636-K638 PolarHBondContact O-N 3.13Å; S636-N639 PolarHBondContact O-N 3.27Å; S636-Q640 WeakPolarHBondContact O-CB 3.43Å; S636-Q640 VanDerWaalsContact O-CG 3.27Å; S636-Q640 WeakPolarHBondContact O-CG 3.3Å; S636-Q640 PolarHBondContact O-N 3.43Å; S636-Q640 PolarHBondContact OG-NE2 3.49Å
637S66Low60.7Low77 Ų7789.1 Ų89.154%0.53845%0.45SS..Hα-helixtrans-63.8-36.4-171.585.60000113.6Q641S637-Q641 VanDerWaalsContact O-CB 3.24Å; S637-Q641 WeakPolarHBondContact O-CB 3.24Å; S637-Q641 PolarHBondContact O-N 3.26Å
638K78.3Confident63.7Low160 Ų16087.1 Ų87.170%0.69643%0.434SS*.Hα-helixtrans-70.4-37.9179.9-165173.9-174.9175.60112.1S636 T642S636-K638 VanDerWaalsContact C-N 3.35Å; S636-K638 PolarHBondContact O-N 3.13Å; K638-T642 PolarHBondContact O-N 3.42Å; K638-T642 PolarHBondContact O-OG1 3.25Å
639N87.4Confident66.6Low53 Ų5383.2 Ų83.228%0.28342%0.424SS..Hα-helixtrans-70.8-43.9175.7-73.6-16.9000111S636 Q641 T642 V643 L667 L673S636-N639 PolarHBondContact O-N 3.27Å; N639-Q641 VanDerWaalsContact C-N 3.32Å; N639-Q641 PolarHBondContact O-N 3.39Å; N639-T642 WeakPolarHBondContact O-CB 3.43Å; N639-T642 PolarHBondContact O-N 3.03Å; N639-V643 WeakPolarHBondContact O-CG2 3.34Å; N639-V643 PolarHBondContact O-N 3.22Å; N639-L667 HydrophobicContact CB-CD2 3.96Å; N639-L673 HydrophobicContact CB-CD1 4.14Å
640Q86.1Confident69.4Low82 Ų8278.3 Ų78.338%0.38340%0.4SS..Hα-helixtrans-57-45173-72.8177.2-10.600111.9S636 V643 K644 L673 M676S636-Q640 WeakPolarHBondContact O-CB 3.43Å; S636-Q640 VanDerWaalsContact O-CG 3.27Å; S636-Q640 WeakPolarHBondContact O-CG 3.3Å; S636-Q640 PolarHBondContact O-N 3.43Å; S636-Q640 PolarHBondContact OG-NE2 3.49Å; Q640-V643 PolarHBondContact O-N 3.06Å; Q640-K644 WeakPolarHBondContact O-CB 3.39Å; Q640-K644 PolarHBondContact O-N 3.48Å; Q640-L673 HydrophobicContact CG-CD2 3.82Å; Q640-M676 HydrophobicContact CB-CE 4.1Å; Q640-M676 HydrophobicContact CB-SD 3.85Å; Q640-M676 HydrophobicContact CG-SD 3.87Å; Q640-M676 WeakPolarHBondContact O-CE 3.39Å
641Q88.2Confident72.1Confident91 Ų9172.5 Ų72.543%0.42537%0.37SS..Hα-helixtrans-64-43.1177.2-175.662.123.500111.8S637 N639 V643 K644 E645S637-Q641 VanDerWaalsContact O-CB 3.24Å; S637-Q641 WeakPolarHBondContact O-CB 3.24Å; S637-Q641 PolarHBondContact O-N 3.26Å; N639-Q641 VanDerWaalsContact C-N 3.32Å; N639-Q641 PolarHBondContact O-N 3.39Å; Q641-V643 PolarHBondContact O-N 3.49Å; Q641-K644 WeakPolarHBondContact O-CB 3.41Å; Q641-K644 PolarHBondContact O-N 3.2Å; Q641-E645 WeakPolarHBondContact CG-OE1 3.34Å; Q641-E645 PolarHBondContact NE2-OE1 3.06Å; Q641-E645 WeakPolarHBondContact O-CG 3.2Å; Q641-E645 PolarHBondContact O-N 3.4Å
642T90.1Very high75.1Confident20 Ų2067.7 Ų67.712%0.12335%0.354CS..Hα-helixtrans-59.7-45.8175.6-55.20000111.3K638 N639 K644 E645 I646 K663 L667K638-T642 PolarHBondContact O-N 3.42Å; K638-T642 PolarHBondContact O-OG1 3.25Å; N639-T642 WeakPolarHBondContact O-CB 3.43Å; N639-T642 PolarHBondContact O-N 3.03Å; T642-K644 VanDerWaalsContact C-N 3.34Å; T642-K644 PolarHBondContact O-N 2.79Å; T642-E645 PolarHBondContact O-N 2.97Å; T642-I646 HydrophobicContact CG2-CD1 3.98Å; T642-I646 WeakPolarHBondContact O-CG1 3.46Å; T642-I646 PolarHBondContact O-N 2.9Å; T642-I646 VanDerWaalsContact O-N 3.14Å; T642-K663 HydrophobicContact CG2-CD 4.08Å; T642-K663 PolarHBondContact OG1-NZ 3.09Å; T642-L667 HydrophobicContact CG2-CD1 4.32Å
643V91.4Very high77.7Confident1 Ų167.7 Ų67.71%0.00635%0.353CS..Hα-helixtrans-60.5-46.1177.6168.50000110.3N639 Q640 Q641 E645 I646 C647 F664 L667 M668 L673 A677N639-V643 WeakPolarHBondContact O-CG2 3.34Å; N639-V643 PolarHBondContact O-N 3.22Å; Q640-V643 PolarHBondContact O-N 3.06Å; Q641-V643 PolarHBondContact O-N 3.49Å; V643-E645 PolarHBondContact O-N 2.79Å; V643-I646 PolarHBondContact O-N 3.28Å; V643-C647 PolarHBondContact O-N 3.08Å; V643-C647 PolarHBondContact O-SG 3.19Å; V643-C647 VanDerWaalsContact O-SG 3.41Å; V643-F664 HydrophobicContact CB-CE2 4.49Å; V643-F664 HydrophobicContact CG1-CE2 4Å; V643-F664 HydrophobicContact CG2-CE2 4.45Å; V643-L667 HydrophobicContact CG2-CB 4.35Å; V643-L667 HydrophobicContact CG2-CD1 3.96Å; V643-M668 HydrophobicContact CG1-CE 4.41Å; V643-M668 HydrophobicContact CG2-CE 4.04Å; V643-L673 HydrophobicContact CG2-CB 4.43Å; V643-L673 HydrophobicContact CG2-CD2 4.41Å; V643-A677 HydrophobicContact CG1-CB 3.89Å
644K89.5Confident80.4Confident80 Ų8066.4 Ų66.435%0.34836%0.355SS..Hα-helixtrans-57.8-48.9177.9-173.8-178.4175.8-174.40112Q640 Q641 T642 I646 C647 D648 M676Q640-K644 WeakPolarHBondContact O-CB 3.39Å; Q640-K644 PolarHBondContact O-N 3.48Å; Q641-K644 WeakPolarHBondContact O-CB 3.41Å; Q641-K644 PolarHBondContact O-N 3.2Å; T642-K644 VanDerWaalsContact C-N 3.34Å; T642-K644 PolarHBondContact O-N 2.79Å; K644-I646 VanDerWaalsContact C-N 3.34Å; K644-I646 PolarHBondContact O-N 3.29Å; K644-C647 PolarHBondContact O-N 3.46Å; K644-D648 WeakPolarHBondContact O-CB 3.49Å; K644-D648 PolarHBondContact O-N 2.72Å; K644-M676 HydrophobicContact CB-CE 4.03Å
645E91Very high82.9Confident108 Ų10857.3 Ų57.351%0.50532%0.323SS..Hα-helixtrans-60.6-42.1-180-74.6167.4-170.800112.3Q641 T642 V643 D648 A649Q641-E645 WeakPolarHBondContact CG-OE1 3.34Å; Q641-E645 PolarHBondContact NE2-OE1 3.06Å; Q641-E645 WeakPolarHBondContact O-CG 3.2Å; Q641-E645 PolarHBondContact O-N 3.4Å; T642-E645 PolarHBondContact O-N 2.97Å; V643-E645 PolarHBondContact O-N 2.79Å; E645-D648 PolarHBondContact O-N 3.26Å; E645-A649 WeakPolarHBondContact O-CB 3.49Å; E645-A649 PolarHBondContact O-N 3.41Å
646I93.5Very high85.2Confident16 Ų1653.4 Ų53.48%0.08230%0.297CS..Hα-helixtrans-67.7-43.4179.1-66.8172000111.2T642 V643 K644 V650 A656 A660 F664 L712T642-I646 HydrophobicContact CG2-CD1 3.98Å; T642-I646 WeakPolarHBondContact O-CG1 3.46Å; T642-I646 PolarHBondContact O-N 2.9Å; T642-I646 VanDerWaalsContact O-N 3.14Å; V643-I646 PolarHBondContact O-N 3.28Å; K644-I646 VanDerWaalsContact C-N 3.34Å; K644-I646 PolarHBondContact O-N 3.29Å; I646-V650 WeakPolarHBondContact O-CG2 3.25Å; I646-V650 PolarHBondContact O-N 3.42Å; I646-V650 VanDerWaalsContact O-N 3.13Å; I646-A656 HydrophobicContact CG2-CB 4.07Å; I646-A660 HydrophobicContact CD1-CB 4.01Å; I646-A660 HydrophobicContact CG1-CB 4.3Å; I646-F664 HydrophobicContact CB-CD2 4.03Å; I646-F664 HydrophobicContact CB-CE2 4.43Å; I646-F664 HydrophobicContact CD1-CB 3.99Å; I646-F664 HydrophobicContact CD1-CD2 3.97Å; I646-F664 HydrophobicContact CD1-CG 4.46Å; I646-F664 HydrophobicContact CG2-CD2 3.74Å; I646-F664 HydrophobicContact CG2-CE2 4.17Å; I646-F664 HydrophobicContact CG2-CG 4.31Å; I646-L712 HydrophobicContact CG2-CD2 3.76Å
647C91.8Very high86.4Confident0 Ų054.3 Ų54.30%031%0.312CS..Hα-helixtrans-61.6-45.2175-72.40000111.4V643 K644 A649 V650 L651 R680 L681V643-C647 PolarHBondContact O-N 3.08Å; V643-C647 PolarHBondContact O-SG 3.19Å; V643-C647 VanDerWaalsContact O-SG 3.41Å; K644-C647 PolarHBondContact O-N 3.46Å; C647-A649 PolarHBondContact O-N 2.88Å; C647-V650 PolarHBondContact O-N 3.45Å; C647-L651 WeakPolarHBondContact O-CG 3.14Å; C647-L651 PolarHBondContact O-N 3.13Å; C647-R680 HydrophobicContact CB-CB 4.23Å; C647-R680 HydrophobicContact CB-CG 3.86Å; C647-L681 HydrophobicContact CB-CD2 4.28Å
648D90.5Very high87.1Confident47 Ų4756.3 Ų56.325%0.25132%0.321SS..Hα-helixtrans-66.2-39-178.3-69.3-4.3000111.5K644 E645 V650 L651 A652 R680K644-D648 WeakPolarHBondContact O-CB 3.49Å; K644-D648 PolarHBondContact O-N 2.72Å; E645-D648 PolarHBondContact O-N 3.26Å; D648-V650 PolarHBondContact O-N 2.68Å; D648-L651 PolarHBondContact O-N 3.02Å; D648-A652 VanDerWaalsContact O-CB 3.3Å; D648-A652 WeakPolarHBondContact O-CB 3.42Å; D648-A652 PolarHBondContact O-N 3.2Å; D648-R680 IonicContact OD1-CZ 3.87Å; D648-R680 IonicContact OD1-NE 2.84Å; D648-R680 PolarHBondContact OD1-NE 2.73Å; D648-R680 IonicContact OD1-NH1 3.74Å; D648-R680 IonicContact OD1-NH2 3.81Å; D648-R680 PolarHBondContact OD1-NH2 3.3Å; D648-R680 IonicContact OD2-CZ 3.72Å; D648-R680 IonicContact OD2-NE 3.73Å; D648-R680 IonicContact OD2-NH2 3.7Å; D648-R680 PolarHBondContact OD2-NH2 3.23Å
649A91.3Very high87.2Confident25 Ų2557.7 Ų57.721%0.20733%0.327CS..Hα-helixtrans-62.8-40.2173.700000112.5E645 C647 A652 G653 Q654 G655E645-A649 WeakPolarHBondContact O-CB 3.49Å; E645-A649 PolarHBondContact O-N 3.41Å; C647-A649 PolarHBondContact O-N 2.88Å; A649-A652 PolarHBondContact O-N 3.08Å; A649-G653 PolarHBondContact O-N 3.11Å; A649-Q654 WeakPolarHBondContact O-CB 3.33Å; A649-Q654 PolarHBondContact O-N 3.2Å; A649-G655 PolarHBondContact O-N 3.21Å
650V90.9Very high87.1Confident1 Ų156.9 Ų56.91%0.00633%0.328CS..Hα-helixtrans-65.8-45174.9163.20000111.5I646 C647 D648 A652 G653 A656 G708 I709 L712I646-V650 WeakPolarHBondContact O-CG2 3.25Å; I646-V650 PolarHBondContact O-N 3.42Å; I646-V650 VanDerWaalsContact O-N 3.13Å; C647-V650 PolarHBondContact O-N 3.45Å; D648-V650 PolarHBondContact O-N 2.68Å; V650-A652 VanDerWaalsContact C-N 3.29Å; V650-A652 PolarHBondContact O-N 2.96Å; V650-G653 PolarHBondContact O-N 3.05Å; V650-A656 HydrophobicContact CG2-CB 4.12Å; V650-G708 VanDerWaalsContact CG1-C 3.47Å; V650-I709 HydrophobicContact CG1-CG1 4.11Å; V650-L712 HydrophobicContact CB-CD1 4.01Å; V650-L712 HydrophobicContact CG1-CD1 4.1Å; V650-L712 HydrophobicContact CG2-CD1 3.83Å; V650-L712 HydrophobicContact CG2-CG 4.21Å
651L88.1Confident87.1Confident27 Ų2754.4 Ų54.414%0.14132%0.317CS..Hα-helixtrans-67-29.4178.1-69.7172.1000112.7C647 D648 G653 R680 L681 I705C647-L651 WeakPolarHBondContact O-CG 3.14Å; C647-L651 PolarHBondContact O-N 3.13Å; D648-L651 PolarHBondContact O-N 3.02Å; L651-G653 PolarHBondContact O-N 3.42Å; L651-R680 WeakPolarHBondContact CD1-O 3.46Å; L651-L681 HydrophobicContact CD1-CD2 4.49Å; L651-L681 HydrophobicContact CD2-CD2 4.23Å; L651-L681 HydrophobicContact CG-CD2 4.19Å; L651-I705 HydrophobicContact CD2-CG2 4.41Å; L651-I705 VanDerWaalsContact O-CD1 3.25Å; L651-I705 WeakPolarHBondContact O-CD1 3.49Å
652A88.3Confident87Confident70 Ų7056.7 Ų56.758%0.57933%0.327SS*.THydrogen-bonded Turntrans-75.9-0.6171.200000113.6D648 A649 V650 Q654D648-A652 VanDerWaalsContact O-CB 3.3Å; D648-A652 WeakPolarHBondContact O-CB 3.42Å; D648-A652 PolarHBondContact O-N 3.2Å; A649-A652 PolarHBondContact O-N 3.08Å; V650-A652 VanDerWaalsContact C-N 3.29Å; V650-A652 PolarHBondContact O-N 2.96Å; A652-Q654 VanDerWaalsContact C-N 3.28Å; A652-Q654 HydrophobicContact CB-CG 4.31Å; A652-Q654 PolarHBondContact O-N 3.47Å
653G85.2Confident87Confident28 Ų2860.3 Ų60.329%0.28934%0.341SS..THydrogen-bonded Turntrans77.46.6179.900000115A649 V650 L651 G655A649-G653 PolarHBondContact O-N 3.11Å; V650-G653 PolarHBondContact O-N 3.05Å; L651-G653 PolarHBondContact O-N 3.42Å; G653-G655 VanDerWaalsContact C-N 3.32Å
654Q85.9Confident87.1Confident160 Ų16060.3 Ų60.375%0.74834%0.341SS*.  trans-78.2-19178.5-60.3-178.8-20.800112.4A649 A652A649-Q654 WeakPolarHBondContact O-CB 3.33Å; A649-Q654 PolarHBondContact O-N 3.2Å; A652-Q654 VanDerWaalsContact C-N 3.28Å; A652-Q654 HydrophobicContact CB-CG 4.31Å; A652-Q654 PolarHBondContact O-N 3.47Å
655G81.1Confident87.2Confident25 Ų2561.2 Ų61.226%0.25834%0.342SS..  trans73-170.4-175.500000112.6A649 G653A649-G655 PolarHBondContact O-N 3.21Å; G653-G655 VanDerWaalsContact C-N 3.32Å
656A81.1Confident87.2Confident18 Ų1863 Ų6315%0.14935%0.348CS..  trans-128.1132.4177.600000110.2I646 V650 L661I646-A656 HydrophobicContact CG2-CB 4.07Å; V650-A656 HydrophobicContact CG2-CB 4.12Å; A656-L661 HydrophobicContact CB-CD1 3.98Å; A656-L661 HydrophobicContact CB-CG 3.99Å; A656-L661 WeakPolarHBondContact O-CD1 3.44Å
657G79.6Confident87.2Confident51 Ų5163.3 Ų63.353%0.52635%0.35SS..  trans-66.4156.3175.100000112.3F659 A660 L661G657-F659 VanDerWaalsContact C-N 3.35Å; G657-F659 PolarHBondContact O-N 3.06Å; G657-A660 WeakPolarHBondContact O-CB 3.24Å; G657-A660 PolarHBondContact O-N 3.49Å; G657-A660 VanDerWaalsContact O-N 3.11Å; G657-L661 PolarHBondContact O-N 3.01Å
658V79.3Confident87.2Confident120 Ų12063.3 Ų63.373%0.72735%0.35SS*.Hα-helixtrans-58-42.9-173.3-1770000112.5L661 H662V658-L661 WeakPolarHBondContact O-CB 3.45Å; V658-L661 PolarHBondContact O-N 3.39Å; V658-H662 PolarHBondContact O-N 3.05Å
659F80.7Confident87.1Confident189 Ų18965 Ų6583%0.82936%0.356SS*.Hα-helixtrans-65.8-40.1177-65.2-75.9000112.8G657 L661 H662 K663G657-F659 VanDerWaalsContact C-N 3.35Å; G657-F659 PolarHBondContact O-N 3.06Å; F659-L661 VanDerWaalsContact C-N 3.32Å; F659-H662 PolarHBondContact O-N 2.85Å; F659-K663 PolarHBondContact O-N 3.2Å
660A85.7Confident87Confident36 Ų3666.7 Ų66.730%0.29836%0.362SS..Hα-helixtrans-63.5-41.1175.700000110.8I646 G657 K663 F664I646-A660 HydrophobicContact CD1-CB 4.01Å; I646-A660 HydrophobicContact CG1-CB 4.3Å; G657-A660 WeakPolarHBondContact O-CB 3.24Å; G657-A660 PolarHBondContact O-N 3.49Å; G657-A660 VanDerWaalsContact O-N 3.11Å; A660-K663 PolarHBondContact O-N 3.05Å; A660-F664 VanDerWaalsContact O-CB 3.25Å; A660-F664 WeakPolarHBondContact O-CB 3.49Å; A660-F664 PolarHBondContact O-N 3.42Å
661L85.3Confident86.8Confident29 Ų2967.4 Ų67.415%0.15237%0.365CS..Hα-helixtrans-63.5-39.2174.5-95.9151.7000113.2A656 G657 V658 F659 F664 R665 R711 L712A656-L661 HydrophobicContact CB-CD1 3.98Å; A656-L661 HydrophobicContact CB-CG 3.99Å; A656-L661 WeakPolarHBondContact O-CD1 3.44Å; G657-L661 PolarHBondContact O-N 3.01Å; V658-L661 WeakPolarHBondContact O-CB 3.45Å; V658-L661 PolarHBondContact O-N 3.39Å; F659-L661 VanDerWaalsContact C-N 3.32Å; L661-F664 PolarHBondContact O-N 3.06Å; L661-R665 WeakPolarHBondContact O-CB 3.24Å; L661-R665 PolarHBondContact O-N 3.44Å; L661-R711 HydrophobicContact CD1-CB 4.43Å; L661-R711 HydrophobicContact CD2-CB 3.88Å; L661-L712 HydrophobicContact CD2-CD2 4.27Å
662H87.1Confident86.7Confident139 Ų13969.9 Ų69.964%0.64438%0.379SS*.Hα-helixtrans-65.1-45.4176-17275.6000111.6V658 F659 R665 K666V658-H662 PolarHBondContact O-N 3.05Å; F659-H662 PolarHBondContact O-N 2.85Å; H662-R665 PolarHBondContact O-N 3.34Å; H662-K666 PolarHBondContact O-N 2.83Å
663K90.5Very high86.9Confident97 Ų9766.8 Ų66.842%0.42235%0.352SS..Hα-helixtrans-62.1-45.6174.7-171.9-178.9179.6-165.70111.3T642 F659 A660 R665 K666 L667T642-K663 HydrophobicContact CG2-CD 4.08Å; T642-K663 PolarHBondContact OG1-NZ 3.09Å; F659-K663 PolarHBondContact O-N 3.2Å; A660-K663 PolarHBondContact O-N 3.05Å; K663-R665 VanDerWaalsContact C-N 3.34Å; K663-R665 PolarHBondContact O-N 2.77Å; K663-K666 PolarHBondContact O-N 3.19Å; K663-L667 HydrophobicContact CG-CD1 4.34Å; K663-L667 WeakPolarHBondContact O-CG 3.39Å; K663-L667 PolarHBondContact O-N 3.01Å
664F93.1Very high87.1Confident1 Ų165.5 Ų65.50%0.00434%0.339CS..Hα-helixtrans-57.5-46.5177-171.4-89.5000111.2V643 I646 A660 L661 K666 L667 M668 A677 L712 A715V643-F664 HydrophobicContact CB-CE2 4.49Å; V643-F664 HydrophobicContact CG1-CE2 4Å; V643-F664 HydrophobicContact CG2-CE2 4.45Å; I646-F664 HydrophobicContact CB-CD2 4.03Å; I646-F664 HydrophobicContact CB-CE2 4.43Å; I646-F664 HydrophobicContact CD1-CB 3.99Å; I646-F664 HydrophobicContact CD1-CD2 3.97Å; I646-F664 HydrophobicContact CD1-CG 4.46Å; I646-F664 HydrophobicContact CG2-CD2 3.74Å; I646-F664 HydrophobicContact CG2-CE2 4.17Å; I646-F664 HydrophobicContact CG2-CG 4.31Å; A660-F664 VanDerWaalsContact O-CB 3.25Å; A660-F664 WeakPolarHBondContact O-CB 3.49Å; A660-F664 PolarHBondContact O-N 3.42Å; L661-F664 PolarHBondContact O-N 3.06Å; F664-K666 VanDerWaalsContact C-N 3.31Å; F664-K666 PolarHBondContact O-N 3.36Å; F664-L667 CarbonylContact O-C 3.51Å; F664-L667 WeakPolarHBondContact O-CB 3.43Å; F664-L667 PolarHBondContact O-N 3.48Å; F664-M668 HydrophobicContact CD1-CE 4.37Å; F664-M668 HydrophobicContact CD1-CG 3.73Å; F664-M668 HydrophobicContact CD1-SD 4.23Å; F664-M668 HydrophobicContact CD2-CE 4.39Å; F664-M668 HydrophobicContact CE1-CE 3.95Å; F664-M668 HydrophobicContact CE1-CG 3.51Å; F664-M668 HydrophobicContact CE1-SD 3.5Å; F664-M668 VanDerWaalsContact CE1-SD 3.5Å; F664-M668 HydrophobicContact CE2-CE 3.99Å; F664-M668 HydrophobicContact CZ-CE 3.74Å; F664-M668 HydrophobicContact CZ-CG 4.27Å; F664-M668 HydrophobicContact CZ-SD 3.67Å; F664-M668 WeakPolarHBondContact O-CG 3.06Å; F664-M668 PolarHBondContact O-N 3.11Å; F664-A677 HydrophobicContact CE2-CB 4.43Å; F664-A677 HydrophobicContact CZ-CB 3.89Å; F664-L712 HydrophobicContact CD1-CD2 3.84Å; F664-L712 HydrophobicContact CD2-CD2 4.33Å; F664-L712 HydrophobicContact CE1-CB 4Å; F664-L712 HydrophobicContact CE1-CD2 3.74Å; F664-L712 HydrophobicContact CE1-CG 4.37Å; F664-L712 HydrophobicContact CE2-CD2 4.22Å; F664-L712 HydrophobicContact CG-CD2 4.14Å; F664-L712 HydrophobicContact CZ-CB 4.25Å; F664-L712 HydrophobicContact CZ-CD1 4.41Å; F664-L712 HydrophobicContact CZ-CD2 3.94Å; F664-L712 HydrophobicContact CZ-CG 4.41Å; F664-A715 HydrophobicContact CD1-CB 3.78Å; F664-A715 HydrophobicContact CE1-CB 4.18Å
665R91.4Very high87.2Confident98 Ų9858.4 Ų58.437%0.3731%0.306SS..Hα-helixtrans-55.7-41.8177.5-178.5177.7177.6177.41.7113.2L661 H662 K663 M668 A715 H718L661-R665 WeakPolarHBondContact O-CB 3.24Å; L661-R665 PolarHBondContact O-N 3.44Å; H662-R665 PolarHBondContact O-N 3.34Å; K663-R665 VanDerWaalsContact C-N 3.34Å; K663-R665 PolarHBondContact O-N 2.77Å; R665-M668 PolarHBondContact O-N 2.87Å; R665-A715 HydrophobicContact CB-CB 4Å; R665-A715 HydrophobicContact CG-CB 4.37Å; R665-H718 HydrophobicContact CG-CB 4.26Å; R665-H718 PolarHBondContact NE-CD2 3.22Å; R665-H718 PolarHBondContact NE-NE2 3.49Å; R665-H718 PolarHBondContact NH2-CE1 3.47Å; R665-H718 PolarHBondContact NH2-ND1 2.87Å; R665-H718 PolarHBondContact NH2-NE2 3.18Å
666K90.3Very high87.4Confident146 Ų14659.9 Ų59.964%0.63531%0.306SS*.Hα-helixtrans-69.4-38.6175.8-166174.2-176.41760112.2H662 K663 F664 M668 E669H662-K666 PolarHBondContact O-N 2.83Å; K663-K666 PolarHBondContact O-N 3.19Å; F664-K666 VanDerWaalsContact C-N 3.31Å; F664-K666 PolarHBondContact O-N 3.36Å; K666-M668 PolarHBondContact O-N 2.9Å; K666-E669 WeakPolarHBondContact O-CB 3.45Å; K666-E669 PolarHBondContact O-N 2.73Å
667L93.1Very high87.9Confident22 Ų2259.2 Ų59.212%0.11530%0.301CS..Hα-helixtrans-65.6-26.1175.6-68176.1000112.7N639 T642 V643 K663 F664 E669 D670 L673N639-L667 HydrophobicContact CB-CD2 3.96Å; T642-L667 HydrophobicContact CG2-CD1 4.32Å; V643-L667 HydrophobicContact CG2-CB 4.35Å; V643-L667 HydrophobicContact CG2-CD1 3.96Å; K663-L667 HydrophobicContact CG-CD1 4.34Å; K663-L667 WeakPolarHBondContact O-CG 3.39Å; K663-L667 PolarHBondContact O-N 3.01Å; F664-L667 CarbonylContact O-C 3.51Å; F664-L667 WeakPolarHBondContact O-CB 3.43Å; F664-L667 PolarHBondContact O-N 3.48Å; L667-E669 PolarHBondContact O-N 2.77Å; L667-D670 PolarHBondContact O-N 3.3Å; L667-L673 HydrophobicContact CB-CD1 4.01Å; L667-L673 HydrophobicContact CD2-CD1 4Å
668M92.6Very high88.3Confident0 Ų057 Ų570%028%0.278CS..THydrogen-bonded Turntrans-72.2-2.9175.7-66.5-56.893.600113.7V643 F664 R665 K666 D670 L673 R674 A677 A715 A716 G719V643-M668 HydrophobicContact CG1-CE 4.41Å; V643-M668 HydrophobicContact CG2-CE 4.04Å; F664-M668 HydrophobicContact CD1-CE 4.37Å; F664-M668 HydrophobicContact CD1-CG 3.73Å; F664-M668 HydrophobicContact CD1-SD 4.23Å; F664-M668 HydrophobicContact CD2-CE 4.39Å; F664-M668 HydrophobicContact CE1-CE 3.95Å; F664-M668 HydrophobicContact CE1-CG 3.51Å; F664-M668 HydrophobicContact CE1-SD 3.5Å; F664-M668 VanDerWaalsContact CE1-SD 3.5Å; F664-M668 HydrophobicContact CE2-CE 3.99Å; F664-M668 HydrophobicContact CZ-CE 3.74Å; F664-M668 HydrophobicContact CZ-CG 4.27Å; F664-M668 HydrophobicContact CZ-SD 3.67Å; F664-M668 WeakPolarHBondContact O-CG 3.06Å; F664-M668 PolarHBondContact O-N 3.11Å; R665-M668 PolarHBondContact O-N 2.87Å; K666-M668 PolarHBondContact O-N 2.9Å; M668-D670 PolarHBondContact O-N 3Å; M668-L673 HydrophobicContact CE-CB 4.09Å; M668-R674 HydrophobicContact CB-CG 3.98Å; M668-R674 HydrophobicContact CG-CG 4.46Å; M668-R674 WeakPolarHBondContact O-CD 2.97Å; M668-R674 WeakPolarHBondContact O-CG 3.22Å; M668-R674 PolarHBondContact O-NH1 2.78Å; M668-R674 HydrophobicContact SD-CB 4.4Å; M668-R674 HydrophobicContact SD-CG 3.83Å; M668-A677 HydrophobicContact CE-CB 4.24Å; M668-A677 HydrophobicContact SD-CB 4.12Å; M668-A715 HydrophobicContact CG-CB 4.43Å; M668-A716 HydrophobicContact CG-CB 4.34Å; M668-A716 HydrophobicContact SD-CB 4.31Å; M668-G719 VanDerWaalsContact O-CA 3.31Å; M668-G719 WeakPolarHBondContact O-CA 3.47Å
669E89.7Confident88.4Confident82 Ų8258.2 Ų58.238%0.38327%0.269SS..THydrogen-bonded Turntrans-68.2-24.2168.5-66.9171.7-160.500111.8K666 L667 R674 V722K666-E669 WeakPolarHBondContact O-CB 3.45Å; K666-E669 PolarHBondContact O-N 2.73Å; L667-E669 PolarHBondContact O-N 2.77Å; E669-R674 PolarHBondContact O-NH1 2.88Å; E669-V722 HydrophobicContact CG-CB 4.27Å; E669-V722 HydrophobicContact CG-CG1 4.17Å; E669-V722 HydrophobicContact CG-CG2 4.26Å
670D87.1Confident88.6Confident62 Ų6252.2 Ų52.233%0.33224%0.241SC..SBendtrans-87.1121.4173.7-175.5-18.6000110.9L667 M668 N672 L673 R674L667-D670 PolarHBondContact O-N 3.3Å; M668-D670 PolarHBondContact O-N 3Å; D670-N672 VanDerWaalsContact C-N 3.34Å; D670-N672 PolarHBondContact O-N 2.91Å; D670-N672 WeakPolarHBondContact OD1-CB 3.39Å; D670-N672 PolarHBondContact OD1-N 3.1Å; D670-L673 HydrophobicContact CB-CB 4.27Å; D670-L673 HydrophobicContact CB-CD1 4.08Å; D670-L673 HydrophobicContact CB-CG 4.12Å; D670-L673 PolarHBondContact O-N 3.46Å; D670-R674 PolarHBondContact O-N 3.19Å
671E88.6Confident88.6Confident16 Ų1650.9 Ų50.98%0.07523%0.229CC..Hα-helixtrans-60.5-38.2179.6179.672.1167.800113.6L673 R674 M675 C731 A733 S734E671-L673 VanDerWaalsContact C-N 3.27Å; E671-L673 PolarHBondContact O-N 3.17Å; E671-R674 WeakPolarHBondContact O-CB 3.24Å; E671-R674 PolarHBondContact O-N 3.34Å; E671-R674 IonicContact OE2-CZ 3.64Å; E671-R674 IonicContact OE2-NE 3.65Å; E671-R674 PolarHBondContact OE2-NE 2.68Å; E671-R674 IonicContact OE2-NH2 2.8Å; E671-R674 PolarHBondContact OE2-NH2 3.34Å; E671-M675 HydrophobicContact CG-CG 4.26Å; E671-M675 WeakPolarHBondContact O-CB 3.23Å; E671-M675 WeakPolarHBondContact O-CG 3.35Å; E671-M675 PolarHBondContact O-N 3.1Å; E671-C731 HydrophobicContact CB-CB 3.56Å; E671-C731 HydrophobicContact CG-CB 3.76Å; E671-A733 PolarHBondContact OE1-N 3.2Å; E671-S734 VanDerWaalsContact CD-CB 3.44Å; E671-S734 VanDerWaalsContact CD-OG 3.22Å; E671-S734 WeakPolarHBondContact OE1-CA 3.29Å; E671-S734 WeakPolarHBondContact OE1-CB 3.16Å; E671-S734 PolarHBondContact OE1-N 2.95Å; E671-S734 PolarHBondContact OE1-OG 3.43Å; E671-S734 WeakPolarHBondContact OE2-CB 3.37Å; E671-S734 PolarHBondContact OE2-OG 3.26Å
672N86.1Confident88.3Confident78 Ų7851.3 Ų51.342%0.41723%0.23SC..Hα-helixtrans-64.7-38179.8-70.8-48.3000110.9Y628 D670 M676Y628-N672 VanDerWaalsContact CB-ND2 3.32Å; Y628-N672 WeakPolarHBondContact CB-ND2 2.99Å; D670-N672 VanDerWaalsContact C-N 3.34Å; D670-N672 PolarHBondContact O-N 2.91Å; D670-N672 WeakPolarHBondContact OD1-CB 3.39Å; D670-N672 PolarHBondContact OD1-N 3.1Å; N672-M676 VanDerWaalsContact O-CB 3.32Å; N672-M676 WeakPolarHBondContact O-CB 3.49Å; N672-M676 PolarHBondContact O-N 3.32Å
673L90.7Very high87.1Confident6 Ų649.8 Ų49.83%0.03122%0.223CC..Hα-helixtrans-71.9-37.3175.6-62.5-178000111.6N639 Q640 V643 L667 M668 D670 E671 M676 A677N639-L673 HydrophobicContact CB-CD1 4.14Å; Q640-L673 HydrophobicContact CG-CD2 3.82Å; V643-L673 HydrophobicContact CG2-CB 4.43Å; V643-L673 HydrophobicContact CG2-CD2 4.41Å; L667-L673 HydrophobicContact CB-CD1 4.01Å; L667-L673 HydrophobicContact CD2-CD1 4Å; M668-L673 HydrophobicContact CE-CB 4.09Å; D670-L673 HydrophobicContact CB-CB 4.27Å; D670-L673 HydrophobicContact CB-CD1 4.08Å; D670-L673 HydrophobicContact CB-CG 4.12Å; D670-L673 PolarHBondContact O-N 3.46Å; E671-L673 VanDerWaalsContact C-N 3.27Å; E671-L673 PolarHBondContact O-N 3.17Å; L673-M676 PolarHBondContact O-N 3.3Å; L673-A677 WeakPolarHBondContact O-CB 3.14Å; L673-A677 PolarHBondContact O-N 2.91Å
674R91.2Very high85.4Confident1 Ų152.3 Ų52.30%0.00423%0.23CC..Hα-helixtrans-59.7-48.4171.4-74.1-168.7-67.7-11512.6112M668 E669 D670 E671 A677 A678 G719 S723 C731 S734 I738M668-R674 HydrophobicContact CB-CG 3.98Å; M668-R674 HydrophobicContact CG-CG 4.46Å; M668-R674 WeakPolarHBondContact O-CD 2.97Å; M668-R674 WeakPolarHBondContact O-CG 3.22Å; M668-R674 PolarHBondContact O-NH1 2.78Å; M668-R674 HydrophobicContact SD-CB 4.4Å; M668-R674 HydrophobicContact SD-CG 3.83Å; E669-R674 PolarHBondContact O-NH1 2.88Å; D670-R674 PolarHBondContact O-N 3.19Å; E671-R674 WeakPolarHBondContact O-CB 3.24Å; E671-R674 PolarHBondContact O-N 3.34Å; E671-R674 IonicContact OE2-CZ 3.64Å; E671-R674 IonicContact OE2-NE 3.65Å; E671-R674 PolarHBondContact OE2-NE 2.68Å; E671-R674 IonicContact OE2-NH2 2.8Å; E671-R674 PolarHBondContact OE2-NH2 3.34Å; R674-A677 PolarHBondContact O-N 2.67Å; R674-A678 WeakPolarHBondContact O-CB 3.41Å; R674-A678 PolarHBondContact O-N 3.48Å; R674-G719 PolarHBondContact NH1-O 3.08Å; R674-S723 PolarHBondContact NH1-OG 3.1Å; R674-S723 VanDerWaalsContact NH1-OG 3.09Å; R674-S723 PolarHBondContact NH2-OG 3.23Å; R674-C731 PolarHBondContact NH2-O 3.26Å; R674-S734 PolarHBondContact NE-OG 2.63Å; R674-I738 HydrophobicContact CB-CD1 4.46Å
675M86.5Confident83.1Confident11 Ų1158.9 Ų58.95%0.05426%0.255CS..Hα-helixtrans-62.6-42.6178.1-70-72.2-68.100111.6E671 A678 R679 S734 Q737E671-M675 HydrophobicContact CG-CG 4.26Å; E671-M675 WeakPolarHBondContact O-CB 3.23Å; E671-M675 WeakPolarHBondContact O-CG 3.35Å; E671-M675 PolarHBondContact O-N 3.1Å; M675-A678 PolarHBondContact O-N 3.4Å; M675-R679 WeakPolarHBondContact O-CB 3.43Å; M675-R679 VanDerWaalsContact O-CG 3.31Å; M675-R679 WeakPolarHBondContact O-CG 3.43Å; M675-R679 PolarHBondContact O-N 3.08Å; M675-S734 WeakPolarHBondContact SD-CA 3.44Å; M675-S734 VanDerWaalsContact SD-CB 3.53Å; M675-Q737 VanDerWaalsContact CE-CD 3.44Å; M675-Q737 HydrophobicContact SD-CG 4.5Å; M675-Q737 PolarHBondContact SD-OE1 3.01Å
676M86Confident80.4Confident55 Ų5557 Ų5727%0.27127%0.266SS..Hα-helixtrans-61.1-45.8174.3-179.1-178.6175.200111.7Q640 K644 N672 L673 R680Q640-M676 HydrophobicContact CB-CE 4.1Å; Q640-M676 HydrophobicContact CB-SD 3.85Å; Q640-M676 HydrophobicContact CG-SD 3.87Å; Q640-M676 WeakPolarHBondContact O-CE 3.39Å; K644-M676 HydrophobicContact CB-CE 4.03Å; N672-M676 VanDerWaalsContact O-CB 3.32Å; N672-M676 WeakPolarHBondContact O-CB 3.49Å; N672-M676 PolarHBondContact O-N 3.32Å; L673-M676 PolarHBondContact O-N 3.3Å; M676-R680 WeakPolarHBondContact O-CB 3.45Å; M676-R680 PolarHBondContact O-N 3.24Å
677A90.3Very high77.7Confident4 Ų456.7 Ų56.73%0.03328%0.277CS..Hα-helixtrans-61.5-47.6176.700000111.3V643 F664 M668 L673 R674 R679 R680 L681V643-A677 HydrophobicContact CG1-CB 3.89Å; F664-A677 HydrophobicContact CE2-CB 4.43Å; F664-A677 HydrophobicContact CZ-CB 3.89Å; M668-A677 HydrophobicContact CE-CB 4.24Å; M668-A677 HydrophobicContact SD-CB 4.12Å; L673-A677 WeakPolarHBondContact O-CB 3.14Å; L673-A677 PolarHBondContact O-N 2.91Å; R674-A677 PolarHBondContact O-N 2.67Å; A677-R679 PolarHBondContact O-N 3.47Å; A677-R680 PolarHBondContact O-N 2.66Å; A677-L681 VanDerWaalsContact O-CG 3.29Å; A677-L681 WeakPolarHBondContact O-CG 3.43Å; A677-L681 PolarHBondContact O-N 3.24Å
678A88.3Confident75Confident4 Ų460.4 Ų60.43%0.03331%0.305CS..Hα-helixtrans-59.4-48.7178.200000111.6R674 M675 R680 L681 H682 Q737 I741R674-A678 WeakPolarHBondContact O-CB 3.41Å; R674-A678 PolarHBondContact O-N 3.48Å; M675-A678 PolarHBondContact O-N 3.4Å; A678-R680 VanDerWaalsContact C-N 3.29Å; A678-R680 PolarHBondContact O-N 3.45Å; A678-L681 PolarHBondContact O-N 3.43Å; A678-H682 WeakPolarHBondContact O-CB 3.5Å; A678-H682 PolarHBondContact O-N 2.76Å; A678-Q737 HydrophobicContact CB-CB 3.84Å; A678-I741 HydrophobicContact CB-CD1 4.1Å; A678-I741 WeakPolarHBondContact O-CD1 3.34Å
679R82.1Confident72.5Confident146 Ų14669.6 Ų69.655%0.55135%0.347SS*.Hα-helixtrans-59.2-38.1175.6-73.7178.1-178.4179.61.6112.8M675 A677 H682M675-R679 WeakPolarHBondContact O-CB 3.43Å; M675-R679 VanDerWaalsContact O-CG 3.31Å; M675-R679 WeakPolarHBondContact O-CG 3.43Å; M675-R679 PolarHBondContact O-N 3.08Å; A677-R679 PolarHBondContact O-N 3.47Å; R679-H682 PolarHBondContact O-N 3.35Å
680R85.2Confident70.3Confident64 Ų6468.6 Ų68.624%0.24235%0.35CS..Hα-helixtrans-69.2-39.4178.6-164.473.1178.6106.3-3.1111.6C647 D648 L651 M676 A677 A678 H682 Q683C647-R680 HydrophobicContact CB-CB 4.23Å; C647-R680 HydrophobicContact CB-CG 3.86Å; D648-R680 IonicContact OD1-CZ 3.87Å; D648-R680 IonicContact OD1-NE 2.84Å; D648-R680 PolarHBondContact OD1-NE 2.73Å; D648-R680 IonicContact OD1-NH1 3.74Å; D648-R680 IonicContact OD1-NH2 3.81Å; D648-R680 PolarHBondContact OD1-NH2 3.3Å; D648-R680 IonicContact OD2-CZ 3.72Å; D648-R680 IonicContact OD2-NE 3.73Å; D648-R680 IonicContact OD2-NH2 3.7Å; D648-R680 PolarHBondContact OD2-NH2 3.23Å; L651-R680 WeakPolarHBondContact CD1-O 3.46Å; M676-R680 WeakPolarHBondContact O-CB 3.45Å; M676-R680 PolarHBondContact O-N 3.24Å; A677-R680 PolarHBondContact O-N 2.66Å; A678-R680 VanDerWaalsContact C-N 3.29Å; A678-R680 PolarHBondContact O-N 3.45Å; R680-H682 VanDerWaalsContact C-N 3.31Å; R680-Q683 VanDerWaalsContact NH1-NE2 3.16Å
681L86Confident68.5Low7 Ų770.2 Ų70.24%0.03736%0.357CS..Hα-helixtrans-71.4-26177.6-67.9176.6000112.9C647 L651 A677 A678 Q683 I709 L712 I741C647-L681 HydrophobicContact CB-CD2 4.28Å; L651-L681 HydrophobicContact CD1-CD2 4.49Å; L651-L681 HydrophobicContact CD2-CD2 4.23Å; L651-L681 HydrophobicContact CG-CD2 4.19Å; A677-L681 VanDerWaalsContact O-CG 3.29Å; A677-L681 WeakPolarHBondContact O-CG 3.43Å; A677-L681 PolarHBondContact O-N 3.24Å; A678-L681 PolarHBondContact O-N 3.43Å; L681-Q683 PolarHBondContact O-N 2.94Å; L681-I709 HydrophobicContact CD2-CG1 4.32Å; L681-L712 HydrophobicContact CD1-CB 4.26Å; L681-L712 HydrophobicContact CD1-CD1 4.17Å; L681-L712 HydrophobicContact CD2-CD1 4.01Å; L681-I741 HydrophobicContact CB-CD1 4Å
682H77.8Confident66.7Low38 Ų3876.7 Ų76.718%0.17639%0.391CS..THydrogen-bonded Turntrans-7016178.4-126.9110.6000115.1A678 R679 R680 R684 E740 I741 Q907A678-H682 WeakPolarHBondContact O-CB 3.5Å; A678-H682 PolarHBondContact O-N 2.76Å; R679-H682 PolarHBondContact O-N 3.35Å; R680-H682 VanDerWaalsContact C-N 3.31Å; H682-R684 PolarHBondContact O-N 2.95Å; H682-E740 IonicContact CE1-OE1 2.68Å; H682-E740 PolarHBondContact CE1-OE1 2.86Å; H682-E740 IonicContact ND1-OE1 2.77Å; H682-E740 IonicContact NE2-OE1 2.72Å; H682-E740 PolarHBondContact NE2-OE1 3.17Å; H682-I741 WeakPolarHBondContact ND1-CG1 3.28Å; H682-Q907 PolarHBondContact NE2-NE2 3.36Å
683Q62.6Low65.4Low107 Ų10776.7 Ų76.750%0.539%0.391SS..  trans-71.396.2-168.7-141.5175.63.500111.5R680 L681 W685R680-Q683 VanDerWaalsContact NH1-NE2 3.16Å; L681-Q683 PolarHBondContact O-N 2.94Å; Q683-W685 PolarHBondContact O-N 3.33Å; Q683-W685 VanDerWaalsContact O-N 3.12Å
684R55.7Low64.7Low151 Ų15180.8 Ų80.857%0.5741%0.41SS*.  trans-49.8111.5177-85.8-179.7159.7170.1-9.4111.5H682 G686 D697H682-R684 PolarHBondContact O-N 2.95Å; R684-G686 PolarHBondContact O-N 2.62Å; R684-D697 IonicContact CZ-OD2 2.93Å; R684-D697 IonicContact NH2-OD2 2.79Å; R684-D697 PolarHBondContact NH2-OD2 3.22Å
685W43.1Very low64.4Low138 Ų13884 Ų8452%0.52342%0.423SS..  trans-78.7106.1165.4-72.8-13.5000109.8Q683 P702 I705Q683-W685 PolarHBondContact O-N 3.33Å; Q683-W685 VanDerWaalsContact O-N 3.12Å; W685-P702 HydrophobicContact CH2-CG 3.61Å; W685-P702 HydrophobicContact CZ3-CG 3.75Å; W685-I705 HydrophobicContact CH2-CD1 3.54Å; W685-I705 HydrophobicContact CZ2-CD1 3.76Å
686G35.9Very low64.2Low59 Ų5983.8 Ų83.861%0.60842%0.422SS*.SBendtrans59.2124.6158.900000117.5R684R684-G686 PolarHBondContact O-N 2.62Å
687T32.9Very low63.9Low140 Ų14084.1 Ų84.186%0.85943%0.425SS*.  trans72.213417175.10000113.7
688S35.8Very low63.4Low100 Ų10087.5 Ų87.570%0.69944%0.443SS*.  cis-150158.117-165.60000109.5S690S688-S690 PolarHBondContact O-N 3.13Å
689E41.9Very low63Low192 Ų19288.5 Ų88.590%0.89745%0.448SS*.  trans-67.828.5173.9-68.6176.5135.900113.6I691E689-I691 PolarHBondContact O-N 3.05Å; E689-I691 VanDerWaalsContact O-N 3.08Å
690S42.2Very low62.9Low62 Ų6285.2 Ų85.243%0.43444%0.441SS..  trans-84.280.6175.8-179.70000110S688 L692S688-S690 PolarHBondContact O-N 3.13Å; S690-L692 PolarHBondContact O-N 3.28Å
691I49.5Very low62.8Low96 Ų9682.6 Ų82.649%0.49243%0.431SS..THydrogen-bonded Turntrans-74.54.7170.6-59.4168.1000110.6E689 K1000 K1004E689-I691 PolarHBondContact O-N 3.05Å; E689-I691 VanDerWaalsContact O-N 3.08Å; I691-K1000 HydrophobicContact CD1-CD 4.46Å; I691-K1004 VanDerWaalsContact CG2-CE 3.43Å; I691-K1004 VanDerWaalsContact CG2-NZ 3.26Å
692L50.9Low62.6Low151 Ų15185.1 Ų85.179%0.79145%0.448SS*.THydrogen-bonded Turntrans-97-12.4-172.7-70.2171.2000114.6S690S690-L692 PolarHBondContact O-N 3.28Å
693D58.8Low62.8Low78 Ų7888.8 Ų88.842%0.41746%0.461SS..  trans-83127.9-176.8-123.4-31.2000111.6Y695D693-Y695 PolarHBondContact O-N 3.37Å
694E76.7Confident63.8Low92 Ų9288.8 Ų88.843%0.4346%0.464SS..SBendtrans-70.8-16.1-179.9-171.8177.3174.800112.4K902 V903E694-K902 HydrophobicContact CG-CD 4.49Å; E694-K902 HydrophobicContact CG-CG 4.49Å; E694-K902 WeakPolarHBondContact O-CA 3.49Å; E694-K902 VanDerWaalsContact OE1-CE 3.28Å; E694-K902 WeakPolarHBondContact OE1-CE 3.3Å; E694-K902 IonicContact OE1-NZ 3.88Å; E694-K902 PolarHBondContact OE1-NZ 3.37Å; E694-V903 PolarHBondContact O-N 3.06Å
695Y84.8Confident65.3Low68 Ų6882.2 Ų82.227%0.26744%0.44SS..BIsolated β-bridgetrans-114.1151.7-171.5-61.7-78.8000112.8D693 R900 L901 K902 V903D693-Y695 PolarHBondContact O-N 3.37Å; Y695-R900 VanDerWaalsContact CB-CZ 3.45Å; Y695-R900 HydrophobicContact CD1-CB 3.56Å; Y695-R900 HydrophobicContact CE1-CB 4.09Å; Y695-R900 HydrophobicContact CG-CB 4.12Å; Y695-L901 CarbonylContact C-O 3.58Å; Y695-L901 VanDerWaalsContact CA-O 3.25Å; Y695-L901 WeakPolarHBondContact CA-O 3.47Å; Y695-K902 HydrophobicContact CD1-CG 4.15Å; Y695-K902 HydrophobicContact CE1-CG 3.93Å; Y695-V903 VanDerWaalsContact C-CG2 3.49Å
696V82.8Confident67.3Low7 Ų776 Ų764%0.04242%0.418CS..PPolyproline II helixtrans-71.6139.8175-169.70000109.9T744 L901 V903V696-T744 HydrophobicContact CB-CG2 4.23Å; V696-T744 HydrophobicContact CG1-CG2 3.75Å; V696-L901 HydrophobicContact CB-CB 4.32Å; V696-L901 HydrophobicContact CG2-CB 3.97Å; V696-L901 PolarHBondContact N-O 2.92Å; V696-V903 HydrophobicContact CG2-CG2 4.1Å
697D78.6Confident69.6Low62 Ų6278.3 Ų78.333%0.33241%0.411SS..PPolyproline II helixtrans-79.1145176.8-59.3-52.9000111.8R684R684-D697 IonicContact CZ-OD2 2.93Å; R684-D697 IonicContact NH2-OD2 2.79Å; R684-D697 PolarHBondContact NH2-OD2 3.22Å
698D79.6Confident72.2Confident75 Ų7571.9 Ų71.940%0.40137%0.373SS..PPolyproline II helixtrans-77.4143171.7-64.7-36.8000110.7T744 Y746D698-T744 WeakPolarHBondContact CA-O 3.44Å; D698-Y746 HydrophobicContact CB-CD1 4.07Å; D698-Y746 HydrophobicContact CB-CE1 3.71Å
699V79.9Confident74.7Confident25 Ų2567.2 Ų67.215%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-120.1115.2-174.3-177.70000110.5T744 H745 Y746V699-T744 PolarHBondContact N-O 3.38Å; V699-H745 CarbonylContact O-C 3.53Å; V699-H745 VanDerWaalsContact O-CA 3.28Å; V699-H745 WeakPolarHBondContact O-CA 3.29Å; V699-Y746 WeakPolarHBondContact O-CD1 3.49Å; V699-Y746 PolarHBondContact O-N 2.91Å
700M80.5Confident76.8Confident78 Ų7858.5 Ų58.538%0.38430%0.3SS..EExtended strand (participates in β ladder)trans-80.5124.9173.2-168.8174.864.800110.8Y746 M753M700-Y746 WeakPolarHBondContact CA-O 3.21Å; M700-Y746 HydrophobicContact CB-CD2 4.39Å; M700-Y746 HydrophobicContact CB-CE1 4.16Å; M700-Y746 HydrophobicContact CB-CE2 3.73Å; M700-Y746 HydrophobicContact CG-CD2 4.19Å; M700-Y746 HydrophobicContact CG-CE2 3.66Å; M700-Y746 HydrophobicContact SD-CE2 4.13Å; M700-M753 HydrophobicContact CE-CE 3.64Å; M700-M753 HydrophobicContact CE-SD 4.25Å; M700-M753 HydrophobicContact SD-CE 3.95Å; M700-M753 HydrophobicContact SD-SD 4.15Å
701V82.3Confident79Confident8 Ų862.3 Ų62.35%0.04831%0.305CS..  trans-120.2145.2178.2-95.80000112.4I705 A706 I709 H745 Y746 W747 L774V701-I705 HydrophobicContact CB-CG2 4.5Å; V701-I705 HydrophobicContact CG1-CG2 4.07Å; V701-A706 HydrophobicContact CG2-CB 4.29Å; V701-I709 HydrophobicContact CG1-CD1 4.3Å; V701-H745 HydrophobicContact CG2-CB 4.16Å; V701-Y746 WeakPolarHBondContact CG2-O 3.21Å; V701-Y746 PolarHBondContact N-O 2.86Å; V701-W747 WeakPolarHBondContact O-CB 3.13Å; V701-L774 HydrophobicContact CG2-CD1 4.43Å
702P83.4Confident81Confident60 Ų6057.8 Ų57.839%0.3928%0.282SS..  trans-67.9153176.5-19.734.3000111.1W685 N704 I705 A706W685-P702 HydrophobicContact CH2-CG 3.61Å; W685-P702 HydrophobicContact CZ3-CG 3.75Å; P702-N704 VanDerWaalsContact C-N 3.3Å; P702-N704 PolarHBondContact O-N 3.37Å; P702-N704 VanDerWaalsContact O-N 3.14Å; P702-I705 HydrophobicContact CB-CD1 4.42Å; P702-I705 HydrophobicContact CG-CD1 4Å; P702-I705 PolarHBondContact O-N 3.08Å; P702-I705 VanDerWaalsContact O-N 3.08Å; P702-A706 WeakPolarHBondContact O-CB 3.46Å; P702-A706 PolarHBondContact O-N 3.29Å
703R81.6Confident82.9Confident116 Ų11650.9 Ų50.944%0.43825%0.245SC..Hα-helixtrans-50.4-45.3-172.6-165.4-179.1-175.9-168.7-2.9114.4A706 K707 W747R703-A706 PolarHBondContact O-N 3.5Å; R703-K707 WeakPolarHBondContact O-CG 3.42Å; R703-K707 PolarHBondContact O-N 2.95Å; R703-W747 HydrophobicContact CB-CD2 4.13Å; R703-W747 VanDerWaalsContact CB-CE2 3.49Å; R703-W747 HydrophobicContact CB-CG 4.43Å; R703-W747 HydrophobicContact CB-CZ2 3.79Å; R703-W747 VanDerWaalsContact CD-CZ2 3.41Å; R703-W747 HydrophobicContact CG-CD2 4.03Å; R703-W747 HydrophobicContact CG-CE3 4.37Å; R703-W747 HydrophobicContact CG-CH2 3.87Å; R703-W747 HydrophobicContact CG-CZ2 3.5Å; R703-W747 HydrophobicContact CG-CZ3 4.3Å; R703-W747 VanDerWaalsContact N-CD1 3.31Å
704N82.6Confident84.2Confident106 Ų10649.1 Ų49.157%0.56724%0.235SC*.Hα-helixtrans-69.2-38.3-174.6-65.9-9.7000111.3P702 G708P702-N704 VanDerWaalsContact C-N 3.3Å; P702-N704 PolarHBondContact O-N 3.37Å; P702-N704 VanDerWaalsContact O-N 3.14Å; N704-G708 PolarHBondContact O-N 3.41Å
705I88.3Confident84.8Confident14 Ų1445 Ų457%0.07222%0.217CC..Hα-helixtrans-70.6-46.4176.1-65.2165.6000109.6L651 W685 V701 P702 K707 G708 I709L651-I705 HydrophobicContact CD2-CG2 4.41Å; L651-I705 VanDerWaalsContact O-CD1 3.25Å; L651-I705 WeakPolarHBondContact O-CD1 3.49Å; W685-I705 HydrophobicContact CH2-CD1 3.54Å; W685-I705 HydrophobicContact CZ2-CD1 3.76Å; V701-I705 HydrophobicContact CB-CG2 4.5Å; V701-I705 HydrophobicContact CG1-CG2 4.07Å; P702-I705 HydrophobicContact CB-CD1 4.42Å; P702-I705 HydrophobicContact CG-CD1 4Å; P702-I705 PolarHBondContact O-N 3.08Å; P702-I705 VanDerWaalsContact O-N 3.08Å; I705-K707 VanDerWaalsContact C-N 3.33Å; I705-K707 PolarHBondContact O-N 2.83Å; I705-G708 WeakPolarHBondContact O-CA 3.23Å; I705-G708 PolarHBondContact O-N 3.08Å; I705-I709 HydrophobicContact CG2-CD1 3.77Å; I705-I709 HydrophobicContact CG2-CG1 4.19Å; I705-I709 WeakPolarHBondContact O-CG1 3.44Å; I705-I709 PolarHBondContact O-N 3.03Å
706A84Confident85.1Confident6 Ų642.1 Ų42.15%0.0521%0.206CC..Hα-helixtrans-52.7-47.5175.400000112.3V701 P702 R703 G708 I709 V710 W747 L774V701-A706 HydrophobicContact CG2-CB 4.29Å; P702-A706 WeakPolarHBondContact O-CB 3.46Å; P702-A706 PolarHBondContact O-N 3.29Å; R703-A706 PolarHBondContact O-N 3.5Å; A706-G708 VanDerWaalsContact C-N 3.33Å; A706-G708 PolarHBondContact O-N 3.3Å; A706-I709 PolarHBondContact O-N 2.94Å; A706-V710 VanDerWaalsContact O-CG2 3.32Å; A706-V710 WeakPolarHBondContact O-CG2 3.45Å; A706-V710 PolarHBondContact O-N 3.11Å; A706-W747 HydrophobicContact CB-CB 3.94Å; A706-W747 HydrophobicContact CB-CG 4.47Å; A706-L774 HydrophobicContact CB-CD2 3.6Å
707K84.4Confident85.4Confident108 Ų10842.5 Ų42.547%0.4721%0.208SC..Hα-helixtrans-60.5-40.5175-77.5-178177.1-177.70112.8R703 I705 R711R703-K707 WeakPolarHBondContact O-CG 3.42Å; R703-K707 PolarHBondContact O-N 2.95Å; I705-K707 VanDerWaalsContact C-N 3.33Å; I705-K707 PolarHBondContact O-N 2.83Å; K707-R711 PolarHBondContact O-N 2.89Å
708G88.2Confident85.8Confident6 Ų641.5 Ų41.56%0.06220%0.202CC..Hα-helixtrans-66.1-46.7177.400000112.1V650 N704 I705 A706 V710 R711 L712V650-G708 VanDerWaalsContact CG1-C 3.47Å; N704-G708 PolarHBondContact O-N 3.41Å; I705-G708 WeakPolarHBondContact O-CA 3.23Å; I705-G708 PolarHBondContact O-N 3.08Å; A706-G708 VanDerWaalsContact C-N 3.33Å; A706-G708 PolarHBondContact O-N 3.3Å; G708-V710 VanDerWaalsContact C-N 3.32Å; G708-V710 PolarHBondContact O-N 3.09Å; G708-R711 PolarHBondContact O-N 2.67Å; G708-R711 VanDerWaalsContact O-N 3.16Å; G708-L712 PolarHBondContact O-N 2.63Å; G708-L712 VanDerWaalsContact O-N 3.14Å
709I88.9Confident86.3Confident1 Ų138 Ų381%0.00518%0.183CC..Hα-helixtrans-57.2-46.5177.2-67.4174.3000110.2V650 L681 V701 I705 A706 R711 L712 L713 I741 L774V650-I709 HydrophobicContact CG1-CG1 4.11Å; L681-I709 HydrophobicContact CD2-CG1 4.32Å; V701-I709 HydrophobicContact CG1-CD1 4.3Å; I705-I709 HydrophobicContact CG2-CD1 3.77Å; I705-I709 HydrophobicContact CG2-CG1 4.19Å; I705-I709 WeakPolarHBondContact O-CG1 3.44Å; I705-I709 PolarHBondContact O-N 3.03Å; A706-I709 PolarHBondContact O-N 2.94Å; I709-R711 VanDerWaalsContact C-N 3.3Å; I709-R711 PolarHBondContact O-N 2.96Å; I709-L712 PolarHBondContact O-N 2.84Å; I709-L712 VanDerWaalsContact O-N 3.08Å; I709-L713 HydrophobicContact CG2-CD1 3.81Å; I709-L713 HydrophobicContact CG2-CG 4.05Å; I709-L713 WeakPolarHBondContact O-CG 3.28Å; I709-L713 PolarHBondContact O-N 2.94Å; I709-I741 HydrophobicContact CG2-CG2 3.97Å; I709-L774 HydrophobicContact CB-CD1 4.12Å; I709-L774 HydrophobicContact CD1-CD1 4.49Å; I709-L774 HydrophobicContact CG2-CD1 3.65Å
710V85.9Confident86.7Confident10 Ų1036.8 Ų36.86%0.06118%0.175CC..Hα-helixtrans-55.7-43.4178.1167.40000111.9A706 G708 L712 L713 Q714 L774 V777 A778A706-V710 VanDerWaalsContact O-CG2 3.32Å; A706-V710 WeakPolarHBondContact O-CG2 3.45Å; A706-V710 PolarHBondContact O-N 3.11Å; G708-V710 VanDerWaalsContact C-N 3.32Å; G708-V710 PolarHBondContact O-N 3.09Å; V710-L712 PolarHBondContact O-N 2.92Å; V710-L713 PolarHBondContact O-N 3.26Å; V710-Q714 VanDerWaalsContact O-CG 3.31Å; V710-Q714 WeakPolarHBondContact O-CG 3.26Å; V710-Q714 PolarHBondContact O-N 3.3Å; V710-L774 HydrophobicContact CG2-CB 4.29Å; V710-L774 HydrophobicContact CG2-CD2 4.15Å; V710-V777 HydrophobicContact CG2-CB 4.26Å; V710-V777 HydrophobicContact CG2-CG1 4.19Å; V710-A778 HydrophobicContact CG1-CB 3.82Å; V710-A778 HydrophobicContact CG2-CB 4.32Å
711R87.8Confident87Confident141 Ų14134.1 Ų34.153%0.53216%0.162SC..Hα-helixtrans-65.5-37.8177.9-69.9-177.2176.2173.6-0.7112.6L661 K707 G708 I709 A715L661-R711 HydrophobicContact CD1-CB 4.43Å; L661-R711 HydrophobicContact CD2-CB 3.88Å; K707-R711 PolarHBondContact O-N 2.89Å; G708-R711 PolarHBondContact O-N 2.67Å; G708-R711 VanDerWaalsContact O-N 3.16Å; I709-R711 VanDerWaalsContact C-N 3.3Å; I709-R711 PolarHBondContact O-N 2.96Å; R711-A715 PolarHBondContact O-N 3.48Å
712L91.8Very high87.2Confident2 Ų236.3 Ų36.31%0.0118%0.175CC..Hα-helixtrans-69.7-40176.3-60.9-175000111.7I646 V650 L661 F664 L681 G708 I709 V710 A715 A716I646-L712 HydrophobicContact CG2-CD2 3.76Å; V650-L712 HydrophobicContact CB-CD1 4.01Å; V650-L712 HydrophobicContact CG1-CD1 4.1Å; V650-L712 HydrophobicContact CG2-CD1 3.83Å; V650-L712 HydrophobicContact CG2-CG 4.21Å; L661-L712 HydrophobicContact CD2-CD2 4.27Å; F664-L712 HydrophobicContact CD1-CD2 3.84Å; F664-L712 HydrophobicContact CD2-CD2 4.33Å; F664-L712 HydrophobicContact CE1-CB 4Å; F664-L712 HydrophobicContact CE1-CD2 3.74Å; F664-L712 HydrophobicContact CE1-CG 4.37Å; F664-L712 HydrophobicContact CE2-CD2 4.22Å; F664-L712 HydrophobicContact CG-CD2 4.14Å; F664-L712 HydrophobicContact CZ-CB 4.25Å; F664-L712 HydrophobicContact CZ-CD1 4.41Å; F664-L712 HydrophobicContact CZ-CD2 3.94Å; F664-L712 HydrophobicContact CZ-CG 4.41Å; L681-L712 HydrophobicContact CD1-CB 4.26Å; L681-L712 HydrophobicContact CD1-CD1 4.17Å; L681-L712 HydrophobicContact CD2-CD1 4.01Å; G708-L712 PolarHBondContact O-N 2.63Å; G708-L712 VanDerWaalsContact O-N 3.14Å; I709-L712 PolarHBondContact O-N 2.84Å; I709-L712 VanDerWaalsContact O-N 3.08Å; V710-L712 PolarHBondContact O-N 2.92Å; L712-A715 WeakPolarHBondContact O-CB 3.23Å; L712-A715 PolarHBondContact O-N 3.32Å; L712-A716 PolarHBondContact O-N 2.86Å
713L89.4Confident87.4Confident5 Ų534.1 Ų34.13%0.02616%0.162CC..Hα-helixtrans-63-41.4174.6-67.4175.5000111.7I709 V710 A715 A716 I717 I738 I741 A742I709-L713 HydrophobicContact CG2-CD1 3.81Å; I709-L713 HydrophobicContact CG2-CG 4.05Å; I709-L713 WeakPolarHBondContact O-CG 3.28Å; I709-L713 PolarHBondContact O-N 2.94Å; V710-L713 PolarHBondContact O-N 3.26Å; L713-A715 VanDerWaalsContact C-N 3.29Å; L713-A715 PolarHBondContact O-N 2.98Å; L713-A716 WeakPolarHBondContact O-CB 3.46Å; L713-A716 PolarHBondContact O-N 3.44Å; L713-A716 VanDerWaalsContact O-N 3.12Å; L713-I717 VanDerWaalsContact O-CG1 3.32Å; L713-I717 WeakPolarHBondContact O-CG1 3.2Å; L713-I717 PolarHBondContact O-N 3.4Å; L713-I738 HydrophobicContact CD2-CG2 3.83Å; L713-I741 HydrophobicContact CD1-CG2 4.15Å; L713-I741 HydrophobicContact CD2-CB 4.35Å; L713-I741 HydrophobicContact CD2-CG2 4.35Å; L713-A742 HydrophobicContact CD1-CB 4.24Å
714Q86.5Confident87.6Confident42 Ų4229.8 Ų29.820%0.19615%0.146CC..Hα-helixtrans-61.5-37.3174.8-74.7172.6-17.200112.5V710 H718 A778 I786V710-Q714 VanDerWaalsContact O-CG 3.31Å; V710-Q714 WeakPolarHBondContact O-CG 3.26Å; V710-Q714 PolarHBondContact O-N 3.3Å; Q714-H718 PolarHBondContact O-N 3.15Å; Q714-H718 VanDerWaalsContact O-N 3.17Å; Q714-A778 PolarHBondContact NE2-O 3.35Å; Q714-I786 VanDerWaalsContact OE1-CD1 3.24Å
715A90.2Very high87.6Confident6 Ų632 Ų325%0.0515%0.153CC..Hα-helixtrans-66.8-39.5173.200000111.8F664 R665 M668 R711 L712 L713 H718 G719F664-A715 HydrophobicContact CD1-CB 3.78Å; F664-A715 HydrophobicContact CE1-CB 4.18Å; R665-A715 HydrophobicContact CB-CB 4Å; R665-A715 HydrophobicContact CG-CB 4.37Å; M668-A715 HydrophobicContact CG-CB 4.43Å; R711-A715 PolarHBondContact O-N 3.48Å; L712-A715 WeakPolarHBondContact O-CB 3.23Å; L712-A715 PolarHBondContact O-N 3.32Å; L713-A715 VanDerWaalsContact C-N 3.29Å; L713-A715 PolarHBondContact O-N 2.98Å; A715-H718 WeakPolarHBondContact O-CB 3.45Å; A715-H718 PolarHBondContact O-N 3.11Å; A715-G719 PolarHBondContact O-N 3.06Å
716A90.5Very high87.2Confident6 Ų633.5 Ų33.55%0.0516%0.164CC..Hα-helixtrans-65.9-41.6175.600000112.7M668 L712 L713 H718 G719 L720 I738M668-A716 HydrophobicContact CG-CB 4.34Å; M668-A716 HydrophobicContact SD-CB 4.31Å; L712-A716 PolarHBondContact O-N 2.86Å; L713-A716 WeakPolarHBondContact O-CB 3.46Å; L713-A716 PolarHBondContact O-N 3.44Å; L713-A716 VanDerWaalsContact O-N 3.12Å; A716-H718 VanDerWaalsContact C-N 3.28Å; A716-H718 PolarHBondContact O-N 2.7Å; A716-G719 WeakPolarHBondContact O-CA 3.18Å; A716-G719 PolarHBondContact O-N 3.07Å; A716-G719 VanDerWaalsContact O-N 3.07Å; A716-L720 PolarHBondContact O-N 3.18Å; A716-I738 HydrophobicContact CB-CD1 3.69Å; A716-I738 HydrophobicContact CB-CG1 4.18Å; A716-I738 HydrophobicContact CB-CG2 4.41Å
717I89Confident86.4Confident16 Ų1636.7 Ų36.78%0.08218%0.183CC..Hα-helixtrans-60-38.4174.5-69.5166.1000111.4L713 G719 L720 E721 I738 W775 W795L713-I717 VanDerWaalsContact O-CG1 3.32Å; L713-I717 WeakPolarHBondContact O-CG1 3.2Å; L713-I717 PolarHBondContact O-N 3.4Å; I717-G719 VanDerWaalsContact C-N 3.33Å; I717-G719 PolarHBondContact O-N 3.06Å; I717-L720 WeakPolarHBondContact O-CB 3.19Å; I717-L720 PolarHBondContact O-N 3.34Å; I717-E721 PolarHBondContact O-N 3.33Å; I717-E721 VanDerWaalsContact O-N 3.13Å; I717-I738 HydrophobicContact CG1-CG2 4.43Å; I717-W775 HydrophobicContact CD1-CZ3 4.36Å; I717-W795 HydrophobicContact CD1-CZ2 4.26Å; I717-W795 HydrophobicContact CG1-CH2 4.46Å; I717-W795 HydrophobicContact CG1-CZ2 4.13Å; I717-W795 HydrophobicContact CG2-CZ2 3.76Å
718H87.5Confident85.5Confident41 Ų4133 Ų3319%0.1917%0.17CC..Hα-helixtrans-62.4-41.9173.7179.463.5000112.5R665 Q714 A715 A716 L720 E721 V722R665-H718 HydrophobicContact CG-CB 4.26Å; R665-H718 PolarHBondContact NE-CD2 3.22Å; R665-H718 PolarHBondContact NE-NE2 3.49Å; R665-H718 PolarHBondContact NH2-CE1 3.47Å; R665-H718 PolarHBondContact NH2-ND1 2.87Å; R665-H718 PolarHBondContact NH2-NE2 3.18Å; Q714-H718 PolarHBondContact O-N 3.15Å; Q714-H718 VanDerWaalsContact O-N 3.17Å; A715-H718 WeakPolarHBondContact O-CB 3.45Å; A715-H718 PolarHBondContact O-N 3.11Å; A716-H718 VanDerWaalsContact C-N 3.28Å; A716-H718 PolarHBondContact O-N 2.7Å; H718-L720 VanDerWaalsContact C-N 3.29Å; H718-L720 PolarHBondContact O-N 3.35Å; H718-E721 IonicContact ND1-OE2 2.82Å; H718-E721 WeakPolarHBondContact O-CB 3.02Å; H718-E721 PolarHBondContact O-N 3.03Å; H718-V722 PolarHBondContact O-N 3.44Å
719G88.8Confident84.5Confident0 Ų033.1 Ų33.10%017%0.169CC..Hα-helixtrans-59.2-40.817400000112.7M668 R674 A715 A716 I717 E721 V722 S723M668-G719 VanDerWaalsContact O-CA 3.31Å; M668-G719 WeakPolarHBondContact O-CA 3.47Å; R674-G719 PolarHBondContact NH1-O 3.08Å; A715-G719 PolarHBondContact O-N 3.06Å; A716-G719 WeakPolarHBondContact O-CA 3.18Å; A716-G719 PolarHBondContact O-N 3.07Å; A716-G719 VanDerWaalsContact O-N 3.07Å; I717-G719 VanDerWaalsContact C-N 3.33Å; I717-G719 PolarHBondContact O-N 3.06Å; G719-E721 VanDerWaalsContact C-N 3.32Å; G719-E721 PolarHBondContact O-N 3.48Å; G719-V722 PolarHBondContact O-N 2.98Å; G719-S723 PolarHBondContact O-N 2.83Å; G719-S723 PolarHBondContact O-OG 2.95Å
720L89.2Confident83.7Confident0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-61.3-38.6177.1-70.9170.2000112.7A716 I717 H718 S723 F724 L732 S734 V735 I738A716-L720 PolarHBondContact O-N 3.18Å; I717-L720 WeakPolarHBondContact O-CB 3.19Å; I717-L720 PolarHBondContact O-N 3.34Å; H718-L720 VanDerWaalsContact C-N 3.29Å; H718-L720 PolarHBondContact O-N 3.35Å; L720-S723 PolarHBondContact O-N 3Å; L720-F724 WeakPolarHBondContact O-CB 3.44Å; L720-F724 PolarHBondContact O-N 2.97Å; L720-L732 HydrophobicContact CD2-CD2 4.13Å; L720-S734 WeakPolarHBondContact CD2-OG 3.33Å; L720-V735 HydrophobicContact CD1-CG2 3.65Å; L720-V735 HydrophobicContact CD2-CG2 3.51Å; L720-V735 HydrophobicContact CG-CG2 4.15Å; L720-I738 HydrophobicContact CD1-CD1 3.81Å; L720-I738 HydrophobicContact CG-CD1 4.25Å
721E87Confident83.4Confident23 Ų2335.5 Ų35.511%0.10719%0.186CC..Hα-helixtrans-63.1-42.2175.9-71.3160.8-171.400111.9I717 H718 G719 F724 Q725 R792 I794I717-E721 PolarHBondContact O-N 3.33Å; I717-E721 VanDerWaalsContact O-N 3.13Å; H718-E721 IonicContact ND1-OE2 2.82Å; H718-E721 WeakPolarHBondContact O-CB 3.02Å; H718-E721 PolarHBondContact O-N 3.03Å; G719-E721 VanDerWaalsContact C-N 3.32Å; G719-E721 PolarHBondContact O-N 3.48Å; E721-F724 PolarHBondContact O-N 3.23Å; E721-Q725 WeakPolarHBondContact O-CG 2.81Å; E721-Q725 PolarHBondContact O-N 2.87Å; E721-Q725 VanDerWaalsContact O-N 3.08Å; E721-R792 WeakPolarHBondContact OE1-CD 3.34Å; E721-R792 IonicContact OE1-CZ 3.14Å; E721-R792 IonicContact OE1-NE 3.92Å; E721-R792 IonicContact OE1-NH1 3.79Å; E721-R792 PolarHBondContact OE1-NH1 3.14Å; E721-R792 IonicContact OE2-CZ 3.84Å; E721-R792 IonicContact OE2-NE 2.91Å; E721-R792 IonicContact OE2-NH1 3.48Å; E721-R792 PolarHBondContact OE2-NH1 3.11Å; E721-I794 HydrophobicContact CG-CD1 3.77Å; E721-I794 HydrophobicContact CG-CG1 4.44Å; E721-I794 HydrophobicContact CG-CG2 4.04Å
722V87.1Confident83.5Confident54 Ų5428.8 Ų28.833%0.32716%0.16SC..Hα-helixtrans-62.3-45.9175.4176.90000110.1E669 H718 G719 F724 Q725 S726E669-V722 HydrophobicContact CG-CB 4.27Å; E669-V722 HydrophobicContact CG-CG1 4.17Å; E669-V722 HydrophobicContact CG-CG2 4.26Å; H718-V722 PolarHBondContact O-N 3.44Å; G719-V722 PolarHBondContact O-N 2.98Å; V722-F724 PolarHBondContact O-N 3.46Å; V722-Q725 PolarHBondContact O-N 3.38Å; V722-S726 PolarHBondContact O-N 2.83Å
723S87.2Confident83.3Confident14 Ų1428.9 Ų28.910%0.09816%0.162CC..Hα-helixtrans-61.9-40.8177.4-59.30000112.4R674 G719 L720 Q725 S726R674-S723 PolarHBondContact NH1-OG 3.1Å; R674-S723 VanDerWaalsContact NH1-OG 3.09Å; R674-S723 PolarHBondContact NH2-OG 3.23Å; G719-S723 PolarHBondContact O-N 2.83Å; G719-S723 PolarHBondContact O-OG 2.95Å; L720-S723 PolarHBondContact O-N 3Å; S723-Q725 VanDerWaalsContact C-N 3.34Å; S723-Q725 PolarHBondContact O-N 2.78Å; S723-S726 WeakPolarHBondContact O-CB 3.35Å; S723-S726 PolarHBondContact O-N 2.61Å; S723-S726 PolarHBondContact O-OG 2.67Å
724F85.5Confident83.4Confident25 Ų2528.6 Ų28.611%0.1116%0.16CC..Hα-helixtrans-70.2-27.7179-177.5-115.4000113.8L720 E721 V722 S726 P729 L732 F800L720-F724 WeakPolarHBondContact O-CB 3.44Å; L720-F724 PolarHBondContact O-N 2.97Å; E721-F724 PolarHBondContact O-N 3.23Å; V722-F724 PolarHBondContact O-N 3.46Å; F724-S726 VanDerWaalsContact C-N 3.29Å; F724-P729 HydrophobicContact CD2-CB 4.03Å; F724-L732 HydrophobicContact CB-CD2 4.39Å; F724-L732 HydrophobicContact CD2-CD1 4.04Å; F724-F800 HydrophobicContact CB-CD2 4.14Å; F724-F800 HydrophobicContact CB-CE2 4.43Å; F724-F800 HydrophobicContact CD1-CD2 4.24Å; F724-F800 HydrophobicContact CD2-CB 4.25Å; F724-F800 AromaticContact CD2-CD2 3.67Å; F724-F800 HydrophobicContact CD2-CD2 3.67Å; F724-F800 HydrophobicContact CD2-CG 4.45Å; F724-F800 HydrophobicContact CE1-CB 4.23Å; F724-F800 VanDerWaalsContact CE2-CA 3.5Å; F724-F800 HydrophobicContact CE2-CB 3.78Å; F724-F800 HydrophobicContact CE2-CD2 4.09Å; F724-F800 HydrophobicContact CE2-CG 4.45Å; F724-F800 AromaticContact CG-CD2 3.75Å; F724-F800 HydrophobicContact CG-CD2 3.75Å; F724-F800 HydrophobicContact CZ-CB 3.76Å
725Q83.1Confident83.7Confident153 Ų15326.6 Ų26.672%0.71515%0.151SC*.Hα-helixtrans-79.1-11.3176.5-72.8178.8-0.100113.5E721 V722 S723E721-Q725 WeakPolarHBondContact O-CG 2.81Å; E721-Q725 PolarHBondContact O-N 2.87Å; E721-Q725 VanDerWaalsContact O-N 3.08Å; V722-Q725 PolarHBondContact O-N 3.38Å; S723-Q725 VanDerWaalsContact C-N 3.34Å; S723-Q725 PolarHBondContact O-N 2.78Å
726S80Confident83.7Confident44 Ų4426.7 Ų26.731%0.30815%0.15SC..SBendtrans-63.7157.7175.673.20000112.4V722 S723 F724 V728V722-S726 PolarHBondContact O-N 2.83Å; S723-S726 WeakPolarHBondContact O-CB 3.35Å; S723-S726 PolarHBondContact O-N 2.61Å; S723-S726 PolarHBondContact O-OG 2.67Å; F724-S726 VanDerWaalsContact C-N 3.29Å; S726-V728 VanDerWaalsContact C-N 3.26Å; S726-V728 PolarHBondContact O-N 3.31Å; S726-V728 PolarHBondContact OG-O 2.89Å
727V66.5Low83.7Confident73 Ų7326.5 Ų26.544%0.44215%0.149SC..SBendtrans-58.3-41.3-179.6174.90000111.2S402 K405 S406 P729S402-V727 PolarHBondContact OG-O 2.89Å; K405-V727 HydrophobicContact CB-CG1 4.43Å; S406-V727 VanDerWaalsContact CA-CG1 3.47Å; V727-P729 VanDerWaalsContact O-CD 3.28Å; V727-P729 WeakPolarHBondContact O-CD 3.41Å
728V66.2Low83.7Confident32 Ų3225.9 Ų25.919%0.19415%0.145CC..SBendtrans-108.890.8171.9-173.50000107.9S402 S726 S730S402-V728 WeakPolarHBondContact OG-CA 3.47Å; S726-V728 VanDerWaalsContact C-N 3.26Å; S726-V728 PolarHBondContact O-N 3.31Å; S726-V728 PolarHBondContact OG-O 2.89Å; V728-S730 PolarHBondContact O-N 2.92Å; V728-S730 PolarHBondContact O-OG 3.27Å
729P67.2Low83.8Confident8 Ų824 Ų245%0.05214%0.137CC..  trans-61.597.1173.925.2-31.1000107.5F724 V727 L732 N803F724-P729 HydrophobicContact CD2-CB 4.03Å; V727-P729 VanDerWaalsContact O-CD 3.28Å; V727-P729 WeakPolarHBondContact O-CD 3.41Å; P729-L732 HydrophobicContact CB-CD1 4.46Å; P729-N803 WeakPolarHBondContact CB-ND2 3.18Å; P729-N803 WeakPolarHBondContact CG-ND2 3.47Å
730S70.5Confident83.9Confident32 Ų3224.1 Ų24.122%0.22414%0.137CC..  trans-136.1163.7-17853.80000106.4V728 D807V728-S730 PolarHBondContact O-N 2.92Å; V728-S730 PolarHBondContact O-OG 3.27Å; S730-D807 VanDerWaalsContact C-OD2 3.26Å; S730-D807 VanDerWaalsContact CA-OD2 3.29Å; S730-D807 WeakPolarHBondContact CA-OD2 3.37Å
731C80.4Confident83.8Confident28 Ų2824.1 Ų24.119%0.18914%0.137CC..  trans67.745.1-179.3-41.10000112.1Y628 E671 R674 D807Y628-C731 PolarHBondContact OH-SG 3.3Å; E671-C731 HydrophobicContact CB-CB 3.56Å; E671-C731 HydrophobicContact CG-CB 3.76Å; R674-C731 PolarHBondContact NH2-O 3.26Å; C731-D807 PolarHBondContact N-OD2 2.92Å
732L89.5Confident83.7Confident0 Ų023.1 Ų23.10%013%0.133CC..  trans-107.16175.3-63.1175.8000113.4L720 F724 P729 S734 V735 F800 N803 V804 D807L720-L732 HydrophobicContact CD2-CD2 4.13Å; F724-L732 HydrophobicContact CB-CD2 4.39Å; F724-L732 HydrophobicContact CD2-CD1 4.04Å; P729-L732 HydrophobicContact CB-CD1 4.46Å; L732-S734 PolarHBondContact O-N 3.31Å; L732-V735 HydrophobicContact CB-CG2 4.48Å; L732-V735 VanDerWaalsContact O-CB 3.28Å; L732-V735 WeakPolarHBondContact O-CB 3.39Å; L732-V735 WeakPolarHBondContact O-CG2 3.5Å; L732-V735 PolarHBondContact O-N 2.97Å; L732-F800 HydrophobicContact CD1-CD2 4.33Å; L732-F800 HydrophobicContact CD1-CE2 4.32Å; L732-F800 HydrophobicContact CD2-CE2 4.13Å; L732-N803 HydrophobicContact CD1-CB 3.85Å; L732-V804 HydrophobicContact CB-CG2 3.95Å; L732-V804 HydrophobicContact CD1-CG2 4.4Å; L732-D807 PolarHBondContact N-OD2 3.24Å
733A87.5Confident83.7Confident4 Ų420.9 Ų20.93%0.03312%0.119CC..THydrogen-bonded Turntrans-63.6-31.2-178.800000112.5E671 V735 M736 D807 Q811E671-A733 PolarHBondContact OE1-N 3.2Å; A733-V735 PolarHBondContact O-N 3.46Å; A733-V735 VanDerWaalsContact O-N 3.1Å; A733-M736 WeakPolarHBondContact O-CB 3.3Å; A733-M736 PolarHBondContact O-N 3.45Å; A733-D807 HydrophobicContact CB-CB 4.21Å; A733-Q811 HydrophobicContact CB-CB 3.92Å; A733-Q811 VanDerWaalsContact CB-CD 3.49Å; A733-Q811 HydrophobicContact CB-CG 4.34Å
734S91.1Very high83.6Confident0 Ų020.3 Ų20.30%012%0.115CC..Hα-helixtrans-61.9-18177.666.40000113.6E671 R674 M675 L720 L732 M736 Q737 I738E671-S734 VanDerWaalsContact CD-CB 3.44Å; E671-S734 VanDerWaalsContact CD-OG 3.22Å; E671-S734 WeakPolarHBondContact OE1-CA 3.29Å; E671-S734 WeakPolarHBondContact OE1-CB 3.16Å; E671-S734 PolarHBondContact OE1-N 2.95Å; E671-S734 PolarHBondContact OE1-OG 3.43Å; E671-S734 WeakPolarHBondContact OE2-CB 3.37Å; E671-S734 PolarHBondContact OE2-OG 3.26Å; R674-S734 PolarHBondContact NE-OG 2.63Å; M675-S734 WeakPolarHBondContact SD-CA 3.44Å; M675-S734 VanDerWaalsContact SD-CB 3.53Å; L720-S734 WeakPolarHBondContact CD2-OG 3.33Å; L732-S734 PolarHBondContact O-N 3.31Å; S734-M736 PolarHBondContact O-N 2.77Å; S734-Q737 PolarHBondContact O-N 3.03Å; S734-Q737 VanDerWaalsContact O-N 3.16Å; S734-I738 WeakPolarHBondContact O-CB 3.07Å; S734-I738 WeakPolarHBondContact O-CD1 3.3Å; S734-I738 WeakPolarHBondContact O-CG1 3.44Å; S734-I738 PolarHBondContact O-N 3.33Å
735V93Very high83.5Confident0 Ų019.3 Ų19.30%011%0.111CC..Hα-helixtrans-52.1-41.3170.1174.80000110.6L720 L732 A733 Q737 L739 W795 F800 W801 V804L720-V735 HydrophobicContact CD1-CG2 3.65Å; L720-V735 HydrophobicContact CD2-CG2 3.51Å; L720-V735 HydrophobicContact CG-CG2 4.15Å; L732-V735 HydrophobicContact CB-CG2 4.48Å; L732-V735 VanDerWaalsContact O-CB 3.28Å; L732-V735 WeakPolarHBondContact O-CB 3.39Å; L732-V735 WeakPolarHBondContact O-CG2 3.5Å; L732-V735 PolarHBondContact O-N 2.97Å; A733-V735 PolarHBondContact O-N 3.46Å; A733-V735 VanDerWaalsContact O-N 3.1Å; V735-Q737 PolarHBondContact O-N 3.5Å; V735-L739 HydrophobicContact CG1-CD1 3.6Å; V735-L739 HydrophobicContact CG1-CG 4.12Å; V735-L739 VanDerWaalsContact O-CB 3.31Å; V735-L739 WeakPolarHBondContact O-CB 3.5Å; V735-L739 WeakPolarHBondContact O-CG 3.48Å; V735-L739 PolarHBondContact O-N 3.29Å; V735-W795 HydrophobicContact CG1-CZ3 4.49Å; V735-F800 HydrophobicContact CG1-CE1 4.43Å; V735-F800 HydrophobicContact CG1-CZ 4.34Å; V735-F800 HydrophobicContact CG2-CE2 4.41Å; V735-F800 HydrophobicContact CG2-CZ 3.7Å; V735-W801 HydrophobicContact CG1-CZ3 4.33Å; V735-V804 HydrophobicContact CB-CG1 3.96Å; V735-V804 HydrophobicContact CB-CG2 4.07Å; V735-V804 HydrophobicContact CG1-CG1 4.03Å; V735-V804 HydrophobicContact CG1-CG2 4.16Å; V735-V804 HydrophobicContact CG2-CG2 3.81Å
736M91.6Very high83.3Confident7 Ų714.2 Ų14.23%0.0349%0.085CC..Hα-helixtrans-59.7-50.2179.8-62-61.1-70.600110.8A733 S734 E740 V804 A808 N848 L849 L852 Y906A733-M736 WeakPolarHBondContact O-CB 3.3Å; A733-M736 PolarHBondContact O-N 3.45Å; S734-M736 PolarHBondContact O-N 2.77Å; M736-E740 WeakPolarHBondContact O-CB 3.29Å; M736-E740 PolarHBondContact O-N 3.38Å; M736-V804 HydrophobicContact SD-CG1 4.27Å; M736-A808 HydrophobicContact CG-CB 3.79Å; M736-A808 HydrophobicContact SD-CB 4.46Å; M736-N848 HydrophobicContact CE-CB 3.53Å; M736-L849 HydrophobicContact SD-CD1 4.2Å; M736-L852 HydrophobicContact CE-CD1 4.16Å; M736-L852 HydrophobicContact SD-CD1 3.7Å; M736-Y906 HydrophobicContact CB-CE1 4.45Å
737Q88.9Confident83.2Confident3 Ų314 Ų141%0.0148%0.077CC..Hα-helixtrans-72.9-39.6-177.9-69177.318.300113.2M675 A678 S734 V735 E740 I741 Y906M675-Q737 VanDerWaalsContact CE-CD 3.44Å; M675-Q737 HydrophobicContact SD-CG 4.5Å; M675-Q737 PolarHBondContact SD-OE1 3.01Å; A678-Q737 HydrophobicContact CB-CB 3.84Å; S734-Q737 PolarHBondContact O-N 3.03Å; S734-Q737 VanDerWaalsContact O-N 3.16Å; V735-Q737 PolarHBondContact O-N 3.5Å; Q737-E740 PolarHBondContact O-N 2.68Å; Q737-I741 WeakPolarHBondContact O-CG1 3.22Å; Q737-I741 PolarHBondContact O-N 3.26Å; Q737-I741 VanDerWaalsContact O-N 3.16Å; Q737-Y906 HydrophobicContact CG-CD1 4.33Å; Q737-Y906 HydrophobicContact CG-CD2 4.07Å; Q737-Y906 HydrophobicContact CG-CE1 3.91Å; Q737-Y906 HydrophobicContact CG-CE2 3.58Å; Q737-Y906 HydrophobicContact CG-CG 4.47Å; Q737-Y906 VanDerWaalsContact NE2-CG 3.3Å
738I90.1Very high83.2Confident3 Ų310.8 Ų10.82%0.0156%0.058CC..Hα-helixtrans-63.7-47.5179-69.6164.4000109.8R674 L713 A716 I717 L720 S734 I741 A742R674-I738 HydrophobicContact CB-CD1 4.46Å; L713-I738 HydrophobicContact CD2-CG2 3.83Å; A716-I738 HydrophobicContact CB-CD1 3.69Å; A716-I738 HydrophobicContact CB-CG1 4.18Å; A716-I738 HydrophobicContact CB-CG2 4.41Å; I717-I738 HydrophobicContact CG1-CG2 4.43Å; L720-I738 HydrophobicContact CD1-CD1 3.81Å; L720-I738 HydrophobicContact CG-CD1 4.25Å; S734-I738 WeakPolarHBondContact O-CB 3.07Å; S734-I738 WeakPolarHBondContact O-CD1 3.3Å; S734-I738 WeakPolarHBondContact O-CG1 3.44Å; S734-I738 PolarHBondContact O-N 3.33Å; I738-I741 PolarHBondContact O-N 3.32Å; I738-A742 PolarHBondContact O-N 3.42Å
739L90.4Very high83.2Confident1 Ų114.6 Ų14.61%0.0057%0.072CC..Hα-helixtrans-77.5-26.3-179.7-62-178000112.6V735 A742 H743 W775 W795 W801 L852 T856V735-L739 HydrophobicContact CG1-CD1 3.6Å; V735-L739 HydrophobicContact CG1-CG 4.12Å; V735-L739 VanDerWaalsContact O-CB 3.31Å; V735-L739 WeakPolarHBondContact O-CB 3.5Å; V735-L739 WeakPolarHBondContact O-CG 3.48Å; V735-L739 PolarHBondContact O-N 3.29Å; L739-A742 CarbonylContact O-C 3.24Å; L739-A742 PolarHBondContact O-N 2.71Å; L739-H743 VanDerWaalsContact O-CB 3.26Å; L739-H743 WeakPolarHBondContact O-CB 3.33Å; L739-H743 PolarHBondContact O-N 2.94Å; L739-W775 HydrophobicContact CD2-CE3 4.34Å; L739-W775 HydrophobicContact CD2-CZ3 3.88Å; L739-W795 HydrophobicContact CD1-CH2 4.4Å; L739-W795 HydrophobicContact CD1-CZ3 4.05Å; L739-W795 HydrophobicContact CD2-CH2 4.25Å; L739-W801 HydrophobicContact CD1-CH2 3.76Å; L739-W801 HydrophobicContact CD1-CZ3 4.24Å; L739-L852 HydrophobicContact CB-CD1 4.04Å; L739-L852 HydrophobicContact CB-CD2 3.58Å; L739-L852 HydrophobicContact CB-CG 4.27Å; L739-L852 HydrophobicContact CD1-CB 4.18Å; L739-L852 HydrophobicContact CD1-CD1 4.32Å; L739-T856 HydrophobicContact CD1-CG2 4.12Å
740E89Confident82.8Confident2 Ų220.1 Ų20.11%0.00910%0.101CC..Hα-helixtrans-60-43.7170-179.9-177.291.800111.5H682 M736 Q737 A742 H743 T744 L901 Y906 Q907H682-E740 IonicContact CE1-OE1 2.68Å; H682-E740 PolarHBondContact CE1-OE1 2.86Å; H682-E740 IonicContact ND1-OE1 2.77Å; H682-E740 IonicContact NE2-OE1 2.72Å; H682-E740 PolarHBondContact NE2-OE1 3.17Å; M736-E740 WeakPolarHBondContact O-CB 3.29Å; M736-E740 PolarHBondContact O-N 3.38Å; Q737-E740 PolarHBondContact O-N 2.68Å; E740-A742 VanDerWaalsContact C-N 3.34Å; E740-A742 PolarHBondContact O-N 2.96Å; E740-H743 WeakPolarHBondContact O-CB 3.4Å; E740-H743 PolarHBondContact O-N 3.19Å; E740-T744 HydrophobicContact CG-CG2 4.43Å; E740-T744 WeakPolarHBondContact O-CB 3.11Å; E740-T744 WeakPolarHBondContact O-CG2 3.4Å; E740-T744 PolarHBondContact O-N 2.85Å; E740-T744 PolarHBondContact O-OG1 3.4Å; E740-L901 HydrophobicContact CB-CD1 4Å; E740-L901 HydrophobicContact CG-CD1 3.82Å; E740-Y906 PolarHBondContact OE2-OH 3.37Å; E740-Q907 PolarHBondContact OE1-NE2 3.44Å
741I87.4Confident81.9Confident0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-61.1-45.7172.9-63.7165000110A678 L681 H682 I709 L713 Q737 I738 H743 H745A678-I741 HydrophobicContact CB-CD1 4.1Å; A678-I741 WeakPolarHBondContact O-CD1 3.34Å; L681-I741 HydrophobicContact CB-CD1 4Å; H682-I741 WeakPolarHBondContact ND1-CG1 3.28Å; I709-I741 HydrophobicContact CG2-CG2 3.97Å; L713-I741 HydrophobicContact CD1-CG2 4.15Å; L713-I741 HydrophobicContact CD2-CB 4.35Å; L713-I741 HydrophobicContact CD2-CG2 4.35Å; Q737-I741 WeakPolarHBondContact O-CG1 3.22Å; Q737-I741 PolarHBondContact O-N 3.26Å; Q737-I741 VanDerWaalsContact O-N 3.16Å; I738-I741 PolarHBondContact O-N 3.32Å; I741-H743 PolarHBondContact O-N 2.76Å; I741-H745 HydrophobicContact CG2-CB 4.49Å; I741-H745 VanDerWaalsContact O-CB 3.28Å; I741-H745 WeakPolarHBondContact O-CB 3.41Å; I741-H745 PolarHBondContact O-N 2.89Å; I741-H745 PolarHBondContact O-ND1 3.33Å
742A86.3Confident80.6Confident3 Ų328.1 Ų28.13%0.02514%0.139CC..Hα-helixtrans-62.9-28.8178.700000113.3L713 I738 L739 E740 W775L713-A742 HydrophobicContact CD1-CB 4.24Å; I738-A742 PolarHBondContact O-N 3.42Å; L739-A742 CarbonylContact O-C 3.24Å; L739-A742 PolarHBondContact O-N 2.71Å; E740-A742 VanDerWaalsContact C-N 3.34Å; E740-A742 PolarHBondContact O-N 2.96Å; A742-W775 HydrophobicContact CB-CB 4.28Å; A742-W775 HydrophobicContact CB-CE3 4.14Å; A742-W775 PolarHBondContact O-N 2.9Å
743H86.8Confident78.7Confident6 Ų632.2 Ų32.23%0.02816%0.159CC..Hα-helixtrans-79.8-45.4-179.7-173.3-76.4000112.9L739 E740 I741 L855 N897 I899 L901L739-H743 VanDerWaalsContact O-CB 3.26Å; L739-H743 WeakPolarHBondContact O-CB 3.33Å; L739-H743 PolarHBondContact O-N 2.94Å; E740-H743 WeakPolarHBondContact O-CB 3.4Å; E740-H743 PolarHBondContact O-N 3.19Å; I741-H743 PolarHBondContact O-N 2.76Å; H743-L855 HydrophobicContact CB-CD2 3.97Å; H743-N897 VanDerWaalsContact NE2-CA 3.31Å; H743-N897 WeakPolarHBondContact NE2-CA 3.3Å; H743-N897 WeakPolarHBondContact NE2-CB 3.34Å; H743-I899 PolarHBondContact CE1-O 3.05Å; H743-I899 PolarHBondContact NE2-O 3.21Å; H743-L901 HydrophobicContact CB-CD1 3.74Å
744T83.7Confident76.8Confident2 Ų235.4 Ų35.41%0.01219%0.185CC..Hα-helixtrans-92.8-28.9-168.7540000113.3V696 D698 V699 E740 L901V696-T744 HydrophobicContact CB-CG2 4.23Å; V696-T744 HydrophobicContact CG1-CG2 3.75Å; D698-T744 WeakPolarHBondContact CA-O 3.44Å; V699-T744 PolarHBondContact N-O 3.38Å; E740-T744 HydrophobicContact CG-CG2 4.43Å; E740-T744 WeakPolarHBondContact O-CB 3.11Å; E740-T744 WeakPolarHBondContact O-CG2 3.4Å; E740-T744 PolarHBondContact O-N 2.85Å; E740-T744 PolarHBondContact O-OG1 3.4Å; T744-L901 HydrophobicContact CG2-CD1 4.3Å
745H84.4Confident74.9Confident5 Ų538.7 Ų38.72%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-85.6137-177.6-66.455.1000110.6V699 V701 I741 L774V699-H745 CarbonylContact O-C 3.53Å; V699-H745 VanDerWaalsContact O-CA 3.28Å; V699-H745 WeakPolarHBondContact O-CA 3.29Å; V701-H745 HydrophobicContact CG2-CB 4.16Å; I741-H745 HydrophobicContact CG2-CB 4.49Å; I741-H745 VanDerWaalsContact O-CB 3.28Å; I741-H745 WeakPolarHBondContact O-CB 3.41Å; I741-H745 PolarHBondContact O-N 2.89Å; I741-H745 PolarHBondContact O-ND1 3.33Å; H745-L774 HydrophobicContact CB-CD1 3.45Å; H745-L774 VanDerWaalsContact CB-CD1 3.45Å; H745-L774 HydrophobicContact CB-CG 3.86Å; H745-L774 WeakPolarHBondContact O-CG 3.37Å; H745-L774 PolarHBondContact O-N 2.86Å
746Y79.5Confident72.9Confident45 Ų4541.5 Ų41.518%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-143.2156.7-179.568.7-89.4000112.3D698 V699 M700 V701 V748 A771D698-Y746 HydrophobicContact CB-CD1 4.07Å; D698-Y746 HydrophobicContact CB-CE1 3.71Å; V699-Y746 WeakPolarHBondContact O-CD1 3.49Å; V699-Y746 PolarHBondContact O-N 2.91Å; M700-Y746 WeakPolarHBondContact CA-O 3.21Å; M700-Y746 HydrophobicContact CB-CD2 4.39Å; M700-Y746 HydrophobicContact CB-CE1 4.16Å; M700-Y746 HydrophobicContact CB-CE2 3.73Å; M700-Y746 HydrophobicContact CG-CD2 4.19Å; M700-Y746 HydrophobicContact CG-CE2 3.66Å; M700-Y746 HydrophobicContact SD-CE2 4.13Å; V701-Y746 WeakPolarHBondContact CG2-O 3.21Å; V701-Y746 PolarHBondContact N-O 2.86Å; Y746-V748 HydrophobicContact CD2-CG2 3.87Å; Y746-V748 HydrophobicContact CE2-CG2 3.85Å; Y746-A771 HydrophobicContact CD2-CB 3.53Å; Y746-A771 HydrophobicContact CE2-CB 4.22Å; Y746-A771 HydrophobicContact CG-CB 4.05Å
747W76.5Confident70.9Confident39 Ų3945.5 Ų45.515%0.14826%0.261CS..EExtended strand (participates in β ladder)trans-127.8144.3171.2168.166.6000110.4V701 R703 A706 K749 F772V701-W747 WeakPolarHBondContact O-CB 3.13Å; R703-W747 HydrophobicContact CB-CD2 4.13Å; R703-W747 VanDerWaalsContact CB-CE2 3.49Å; R703-W747 HydrophobicContact CB-CG 4.43Å; R703-W747 HydrophobicContact CB-CZ2 3.79Å; R703-W747 VanDerWaalsContact CD-CZ2 3.41Å; R703-W747 HydrophobicContact CG-CD2 4.03Å; R703-W747 HydrophobicContact CG-CE3 4.37Å; R703-W747 HydrophobicContact CG-CH2 3.87Å; R703-W747 HydrophobicContact CG-CZ2 3.5Å; R703-W747 HydrophobicContact CG-CZ3 4.3Å; R703-W747 VanDerWaalsContact N-CD1 3.31Å; A706-W747 HydrophobicContact CB-CB 3.94Å; A706-W747 HydrophobicContact CB-CG 4.47Å; W747-K749 HydrophobicContact CH2-CB 4.36Å; W747-K749 HydrophobicContact CH2-CG 3.51Å; W747-K749 HydrophobicContact CZ2-CB 4.48Å; W747-K749 HydrophobicContact CZ2-CG 4.09Å; W747-K749 HydrophobicContact CZ3-CG 3.96Å; W747-F772 PolarHBondContact N-O 3.38Å; W747-F772 PolarHBondContact O-N 2.99Å
748V68.2Low68.9Low6 Ų654 Ų544%0.03630%0.298CS..  trans-116.3135.1-179.5-179.30000109.1Y746 D752 I756 A771Y746-V748 HydrophobicContact CD2-CG2 3.87Å; Y746-V748 HydrophobicContact CE2-CG2 3.85Å; V748-D752 HydrophobicContact CG1-CB 3.54Å; V748-I756 HydrophobicContact CG1-CD1 4.02Å; V748-I756 HydrophobicContact CG2-CD1 4.28Å; V748-A771 HydrophobicContact CG2-CB 3.92Å
749K65.1Low66.4Low113 Ų11360.2 Ų60.249%0.49133%0.327SS..  trans-63.9142.5176.9-78178.3179177.20110.1W747 L751 D752W747-K749 HydrophobicContact CH2-CB 4.36Å; W747-K749 HydrophobicContact CH2-CG 3.51Å; W747-K749 HydrophobicContact CZ2-CB 4.48Å; W747-K749 HydrophobicContact CZ2-CG 4.09Å; W747-K749 HydrophobicContact CZ3-CG 3.96Å; K749-L751 PolarHBondContact O-N 2.86Å; K749-D752 PolarHBondContact O-N 2.85Å
750D58.7Low63.8Low124 Ų12465.8 Ų65.866%0.66336%0.363SS*.THydrogen-bonded Turntrans-55.7-25-172.6-57.4-50.4000114.3D752D750-D752 VanDerWaalsContact C-N 3.34Å; D750-D752 PolarHBondContact O-N 2.81Å
751L50.8Low61.2Low159 Ų15977.3 Ų77.383%0.83241%0.408SS*.THydrogen-bonded Turntrans-69.9-23.7176.1-72.5160000114K749K749-L751 PolarHBondContact O-N 2.86Å
752D54.3Low58.5Low68 Ų6883 Ų8336%0.36445%0.447SS..THydrogen-bonded Turntrans-94.8-14.5-176.6-66.9-38.6000113.2V748 K749 D750 A754 A755 I756V748-D752 HydrophobicContact CG1-CB 3.54Å; K749-D752 PolarHBondContact O-N 2.85Å; D750-D752 VanDerWaalsContact C-N 3.34Å; D750-D752 PolarHBondContact O-N 2.81Å; D752-A754 VanDerWaalsContact C-N 3.28Å; D752-A754 PolarHBondContact O-N 3.15Å; D752-A755 PolarHBondContact O-N 2.94Å; D752-A755 VanDerWaalsContact O-N 3.14Å; D752-I756 PolarHBondContact O-N 2.65Å
753M49.8Very low55.7Low87 Ų8786.1 Ų86.143%0.42948%0.48SS..Hα-helixtrans-61.2-35.3179-85.2-75.3-134.800112.7M700 A755 I756 A757M700-M753 HydrophobicContact CE-CE 3.64Å; M700-M753 HydrophobicContact CE-SD 4.25Å; M700-M753 HydrophobicContact SD-CE 3.95Å; M700-M753 HydrophobicContact SD-SD 4.15Å; M753-A755 VanDerWaalsContact C-N 3.27Å; M753-A755 PolarHBondContact O-N 2.92Å; M753-I756 PolarHBondContact O-N 3.05Å; M753-A757 PolarHBondContact O-N 3.22Å; M753-A757 VanDerWaalsContact O-N 3.11Å
754A47.2Very low53Low71 Ų7190.6 Ų90.659%0.58751%0.512SS*.Hα-helixtrans-69.3-23.2178.300000113.3D752D752-A754 VanDerWaalsContact C-N 3.28Å; D752-A754 PolarHBondContact O-N 3.15Å
755A50.3Low50.9Low69 Ų6996.2 Ų96.257%0.5755%0.546SS*.Hα-helixtrans-81.8-34.6175.500000111.9D752 M753D752-A755 PolarHBondContact O-N 2.94Å; D752-A755 VanDerWaalsContact O-N 3.14Å; M753-A755 VanDerWaalsContact C-N 3.27Å; M753-A755 PolarHBondContact O-N 2.92Å
756I52.1Low48.6Very low59 Ų59103.6 Ų103.630%0.30358%0.578SS.*Hα-helixtrans-75.3-36.2179.8-62.2172.3000111.5V748 D752 M753 K758 Q759 I768V748-I756 HydrophobicContact CG1-CD1 4.02Å; V748-I756 HydrophobicContact CG2-CD1 4.28Å; D752-I756 PolarHBondContact O-N 2.65Å; M753-I756 PolarHBondContact O-N 3.05Å; I756-K758 PolarHBondContact O-N 2.89Å; I756-Q759 PolarHBondContact O-N 2.89Å; I756-I768 HydrophobicContact CD1-CG2 4.26Å; I756-I768 HydrophobicContact CG2-CD1 4.4Å
757A50Low46.5Very low90 Ų90109 Ų10974%0.74461%0.605SS**THydrogen-bonded Turntrans-65.9-6.7179.300000114.8M753M753-A757 PolarHBondContact O-N 3.22Å; M753-A757 VanDerWaalsContact O-N 3.11Å
758K45.8Very low44.9Very low183 Ų183110.2 Ų110.280%0.79661%0.614SS**THydrogen-bonded Turntrans-98.50.1-178.9-76.9-173.5176.6-178.40115.2I756I756-K758 PolarHBondContact O-N 2.89Å
759Q39.1Very low43.7Very low133 Ų133119.2 Ų119.262%0.62165%0.647SS**SBendtrans-99.6125.1177-72.9-169.5-21.400111.5I756I756-Q759 PolarHBondContact O-N 2.89Å
760P34.3Very low42.5Very low117 Ų117118.9 Ų118.976%0.7666%0.655SS**  trans-75.3143.8178.231.3-30.9000110.3S762P760-S762 PolarHBondContact O-N 2.77Å
761Y34.9Very low42Very low245 Ų245113.9 Ų113.996%0.96163%0.63SS**SBendtrans-53.794.9176.1-79.1-97.8000111.8
762S30.6Very low42.2Very low118 Ų118110.7 Ų110.783%0.82561%0.61SS**  trans-176.7107.4160.6161.80000109.6P760P760-S762 PolarHBondContact O-N 2.77Å
763G27.2Very low42.5Very low69 Ų69107.8 Ų107.871%0.71160%0.595SS**SBendtrans111.8104.8158.700000115.3
764S30.8Very low43.3Very low101 Ų101103.7 Ų103.771%0.70658%0.575SS**  trans51.7104.5157.6-59.20000117K766S764-K766 PolarHBondContact O-N 3.33Å
765V38.6Very low44.1Very low120 Ų120101.1 Ų101.173%0.72755%0.55SS**THydrogen-bonded Turntrans-63.153.2165.1-168.70000111.4
766K37.3Very low44.6Very low159 Ų159102.9 Ų102.969%0.69155%0.545SS*.THydrogen-bonded Turntrans-100.6-8.2173.6-83.7-174.6175.7177.30112.1S764S764-K766 PolarHBondContact O-N 3.33Å
767Q35.5Very low44.7Very low159 Ų159102.7 Ų102.774%0.74355%0.546SS*.SBendtrans-113.5-5.3-169.3-93.5178.9-10.500117.6R769Q767-R769 PolarHBondContact O-N 3.13Å
768I42Very low44.7Very low64 Ų6498.7 Ų98.733%0.32851%0.513SS..  trans-86.659.5170.4-47.4179000109.5I756 A771I756-I768 HydrophobicContact CD1-CG2 4.26Å; I756-I768 HydrophobicContact CG2-CD1 4.4Å; I768-A771 HydrophobicContact CG2-CB 4.21Å
769R43.7Very low45Very low196 Ų19690.6 Ų90.674%0.7448%0.479SS*.  trans-94.96.1-179.4-77.5-177.4170.3-173.8-3.1114Q767Q767-R769 PolarHBondContact O-N 3.13Å
770T39.7Very low45.4Very low106 Ų10687.7 Ų87.765%0.6547%0.471SS*.SBendtrans-94.7-4.2172.445.40000113.7
771A48.1Very low45.9Very low18 Ų1888.6 Ų88.615%0.14947%0.465CS..SBendtrans-74135.3174.900000111.6Y746 V748 I768 S773Y746-A771 HydrophobicContact CD2-CB 3.53Å; Y746-A771 HydrophobicContact CE2-CB 4.22Å; Y746-A771 HydrophobicContact CG-CB 4.05Å; V748-A771 HydrophobicContact CG2-CB 3.92Å; I768-A771 HydrophobicContact CG2-CB 4.21Å; A771-S773 PolarHBondContact O-N 3.16Å
772F54.1Low46.3Very low93 Ų9382.4 Ų82.441%0.40845%0.449SS..EExtended strand (participates in β ladder)trans-76.5105.5171.3-77.2-92.3000108W747 K776 V777W747-F772 PolarHBondContact N-O 3.38Å; W747-F772 PolarHBondContact O-N 2.99Å; F772-K776 HydrophobicContact CD1-CB 4.21Å; F772-K776 HydrophobicContact CD1-CD 4.29Å; F772-V777 HydrophobicContact CB-CG2 4.06Å
773S61.9Low46.6Very low6 Ų678 Ų784%0.04242%0.418CS..EExtended strand (participates in β ladder)trans-53.4143.4165.864.90000109A771 W775 K776A771-S773 PolarHBondContact O-N 3.16Å; S773-W775 PolarHBondContact O-N 2.87Å; S773-W775 VanDerWaalsContact O-N 3.08Å; S773-K776 PolarHBondContact O-N 3.12Å
774L67.1Low47Very low2 Ų284.6 Ų84.61%0.0143%0.427CS..Hα-helixtrans-57.3-28.5-179.5-70.1-170.5000111.6V701 A706 I709 V710 H745 K776 V777 A778V701-L774 HydrophobicContact CG2-CD1 4.43Å; A706-L774 HydrophobicContact CB-CD2 3.6Å; I709-L774 HydrophobicContact CB-CD1 4.12Å; I709-L774 HydrophobicContact CD1-CD1 4.49Å; I709-L774 HydrophobicContact CG2-CD1 3.65Å; V710-L774 HydrophobicContact CG2-CB 4.29Å; V710-L774 HydrophobicContact CG2-CD2 4.15Å; H745-L774 HydrophobicContact CB-CD1 3.45Å; H745-L774 VanDerWaalsContact CB-CD1 3.45Å; H745-L774 HydrophobicContact CB-CG 3.86Å; H745-L774 WeakPolarHBondContact O-CG 3.37Å; H745-L774 PolarHBondContact O-N 2.86Å; L774-K776 PolarHBondContact O-N 3.14Å; L774-V777 CarbonylContact O-C 3.41Å; L774-V777 PolarHBondContact O-N 3.22Å; L774-V777 VanDerWaalsContact O-N 3.17Å; L774-A778 VanDerWaalsContact O-CB 3.27Å; L774-A778 WeakPolarHBondContact O-CB 3.4Å; L774-A778 PolarHBondContact O-N 3.22Å
775W64.2Low46.9Very low17 Ų1788.7 Ų88.76%0.06443%0.433CS..Hα-helixtrans-56.2-47.4171.3-177.4-107.3000113.7I717 L739 A742 S773 V777 A778 D779 L855 T856I717-W775 HydrophobicContact CD1-CZ3 4.36Å; L739-W775 HydrophobicContact CD2-CE3 4.34Å; L739-W775 HydrophobicContact CD2-CZ3 3.88Å; A742-W775 HydrophobicContact CB-CB 4.28Å; A742-W775 HydrophobicContact CB-CE3 4.14Å; A742-W775 PolarHBondContact O-N 2.9Å; S773-W775 PolarHBondContact O-N 2.87Å; S773-W775 VanDerWaalsContact O-N 3.08Å; W775-V777 PolarHBondContact O-N 2.77Å; W775-V777 VanDerWaalsContact O-N 3.12Å; W775-A778 PolarHBondContact O-N 3.45Å; W775-D779 WeakPolarHBondContact O-CB 3.24Å; W775-D779 PolarHBondContact O-N 2.91Å; W775-L855 HydrophobicContact CB-CD1 3.84Å; W775-L855 HydrophobicContact CB-CD2 4.31Å; W775-L855 HydrophobicContact CB-CG 4.17Å; W775-L855 HydrophobicContact CD2-CD2 4.4Å; W775-L855 HydrophobicContact CD2-CG 4.17Å; W775-L855 HydrophobicContact CG-CD1 3.83Å; W775-L855 HydrophobicContact CG-CD2 4.23Å; W775-L855 HydrophobicContact CG-CG 3.8Å; W775-L855 PolarHBondContact NE1-O 2.89Å; W775-T856 HydrophobicContact CH2-CG2 3.89Å; W775-T856 HydrophobicContact CZ2-CG2 3.93Å
776K60.7Low46.6Very low106 Ų10686.7 Ų86.746%0.46142%0.417SS..Hα-helixtrans-59.8-27.2178.4-80-175.4177.5176.80112.8F772 S773 L774F772-K776 HydrophobicContact CD1-CB 4.21Å; F772-K776 HydrophobicContact CD1-CD 4.29Å; S773-K776 PolarHBondContact O-N 3.12Å; L774-K776 PolarHBondContact O-N 3.14Å
777V53.9Low46.1Very low54 Ų5489.2 Ų89.233%0.32743%0.431SS..Hα-helixtrans-88-29.4177.8-174.50000111.7V710 F772 L774 W775 S783V710-V777 HydrophobicContact CG2-CB 4.26Å; V710-V777 HydrophobicContact CG2-CG1 4.19Å; F772-V777 HydrophobicContact CB-CG2 4.06Å; L774-V777 CarbonylContact O-C 3.41Å; L774-V777 PolarHBondContact O-N 3.22Å; L774-V777 VanDerWaalsContact O-N 3.17Å; W775-V777 PolarHBondContact O-N 2.77Å; W775-V777 VanDerWaalsContact O-N 3.12Å; V777-S783 WeakPolarHBondContact O-CB 3.24Å
778A49.5Very low45.8Very low6 Ų684 Ų845%0.0542%0.42CS..Hα-helixtrans-82.9-27.6179.600000113.6V710 Q714 L774 W775 P780V710-A778 HydrophobicContact CG1-CB 3.82Å; V710-A778 HydrophobicContact CG2-CB 4.32Å; Q714-A778 PolarHBondContact NE2-O 3.35Å; L774-A778 VanDerWaalsContact O-CB 3.27Å; L774-A778 WeakPolarHBondContact O-CB 3.4Å; L774-A778 PolarHBondContact O-N 3.22Å; W775-A778 PolarHBondContact O-N 3.45Å; A778-P780 WeakPolarHBondContact O-CD 3.32Å
779D51.9Low45.3Very low14 Ų1486.2 Ų86.28%0.07544%0.441CS..  trans-63.5117.2179.4-171.9-8.5000110.4W775 Q781 N782 S783W775-D779 WeakPolarHBondContact O-CB 3.24Å; W775-D779 PolarHBondContact O-N 2.91Å; D779-Q781 PolarHBondContact O-N 2.9Å; D779-Q781 PolarHBondContact OD1-N 2.64Å; D779-N782 PolarHBondContact O-N 3.07Å; D779-N782 VanDerWaalsContact O-N 3.15Å; D779-S783 WeakPolarHBondContact O-CB 3.5Å; D779-S783 PolarHBondContact O-N 3.44Å; D779-S783 VanDerWaalsContact O-N 3.09Å; D779-S783 PolarHBondContact O-OG 3.48Å
780P46.9Very low45.1Very low72 Ų7284.9 Ų84.947%0.46844%0.443SS..THydrogen-bonded Turntrans-59.9-24.6177.3-21.332.5000113.4A778 N782A778-P780 WeakPolarHBondContact O-CD 3.32Å; P780-N782 VanDerWaalsContact C-N 3.3Å; P780-N782 PolarHBondContact O-N 2.65Å
781Q46.2Very low45.3Very low135 Ų13583.5 Ų83.563%0.63144%0.436SS*.THydrogen-bonded Turntrans-74.7-19.2179.5-64.6-171.45.900113.2D779 P791D779-Q781 PolarHBondContact O-N 2.9Å; D779-Q781 PolarHBondContact OD1-N 2.64Å; Q781-P791 VanDerWaalsContact NE2-CB 3.32Å
782N42.3Very low45.6Very low116 Ų11687 Ų8762%0.6245%0.446SS*.THydrogen-bonded Turntrans-119.7-6.8-176.5-93-38.7000114.5D779 P780D779-N782 PolarHBondContact O-N 3.07Å; D779-N782 VanDerWaalsContact O-N 3.15Å; P780-N782 VanDerWaalsContact C-N 3.3Å; P780-N782 PolarHBondContact O-N 2.65Å
783S37.8Very low46.1Very low24 Ų2489.9 Ų89.917%0.16846%0.46CS..  trans-93.8112.3-176.149.50000112V777 D779 F785V777-S783 WeakPolarHBondContact O-CB 3.24Å; D779-S783 WeakPolarHBondContact O-CB 3.5Å; D779-S783 PolarHBondContact O-N 3.44Å; D779-S783 VanDerWaalsContact O-N 3.09Å; D779-S783 PolarHBondContact O-OG 3.48Å; S783-F785 PolarHBondContact O-N 2.87Å
784F34Very low47.1Very low208 Ų20890.6 Ų90.691%0.91246%0.463SS*.THydrogen-bonded Turntrans-56.37.5172.2-129.8-94.4000114.9
785F30Very low47.9Very low187 Ų18791.8 Ų91.882%0.8247%0.468SS*.THydrogen-bonded Turntrans-132.63.1-165.9-93.6-80.8000116.4S783S783-F785 PolarHBondContact O-N 2.87Å
786I31.6Very low48.7Very low78 Ų7893.6 Ų93.640%0.448%0.483SS..  trans-136.385.8168.8-52.4-176.2000110.2Q714 G788Q714-I786 VanDerWaalsContact OE1-CD1 3.24Å; I786-G788 PolarHBondContact O-N 2.86Å; I786-G788 VanDerWaalsContact O-N 3.13Å
787Q26.3Very low49.9Very low212 Ų21291.6 Ų91.699%0.99148%0.477SS*.  trans-69.197.9156.4-84.8178.2-3100107.8
788G29.2Very low51.3Low49 Ų4990.9 Ų90.951%0.50547%0.473SS..  trans-178.284.1179.200000114.1I786I786-G788 PolarHBondContact O-N 2.86Å; I786-G788 VanDerWaalsContact O-N 3.13Å
789S32Very low53Low111 Ų11193 Ų9378%0.77648%0.482SS*.SBendtrans73.899.6148.3-39.20000119.4
790Q39.3Very low54.7Low168 Ų16892.3 Ų92.379%0.78548%0.478SS*.  trans61.9130.5157.5-62.1-73.4-18.900118.2R792Q790-R792 PolarHBondContact O-N 3.46Å
791P44.5Very low56.8Low77 Ų7788.9 Ų88.950%0.546%0.456SS..  trans-62.9113.8173.627.1-31.2000108.7Q781 H793Q781-P791 VanDerWaalsContact NE2-CB 3.32Å; P791-H793 PolarHBondContact O-N 2.76Å; P791-H793 VanDerWaalsContact O-N 3.11Å
792R53.9Low58.9Low91 Ų9183 Ų8334%0.34343%0.428SS..  trans-70.6113.5-168.7-58.4-158.8-172.3169.7-0.9110.8E721 Q790 I794E721-R792 WeakPolarHBondContact OE1-CD 3.34Å; E721-R792 IonicContact OE1-CZ 3.14Å; E721-R792 IonicContact OE1-NE 3.92Å; E721-R792 IonicContact OE1-NH1 3.79Å; E721-R792 PolarHBondContact OE1-NH1 3.14Å; E721-R792 IonicContact OE2-CZ 3.84Å; E721-R792 IonicContact OE2-NE 2.91Å; E721-R792 IonicContact OE2-NH1 3.48Å; E721-R792 PolarHBondContact OE2-NH1 3.11Å; Q790-R792 PolarHBondContact O-N 3.46Å; R792-I794 PolarHBondContact O-N 3.26Å; R792-I794 VanDerWaalsContact O-N 3.15Å
793H66Low61.1Low155 Ų15577.7 Ų77.772%0.71840%0.4SS*.THydrogen-bonded Turntrans-74.63.8-167.6-145.6-68.5000114.8P791 S796P791-H793 PolarHBondContact O-N 2.76Å; P791-H793 VanDerWaalsContact O-N 3.11Å; H793-S796 PolarHBondContact ND1-OG 2.91Å; H793-S796 PolarHBondContact O-OG 3.18Å
794I82.3Confident63.7Low21 Ų2176.5 Ų76.511%0.10839%0.392CS..THydrogen-bonded Turntrans-74.7-35.6-174.972.3159.7000112.4E721 R792 S796 N797 F800E721-I794 HydrophobicContact CG-CD1 3.77Å; E721-I794 HydrophobicContact CG-CG1 4.44Å; E721-I794 HydrophobicContact CG-CG2 4.04Å; R792-I794 PolarHBondContact O-N 3.26Å; R792-I794 VanDerWaalsContact O-N 3.15Å; I794-S796 VanDerWaalsContact C-N 3.31Å; I794-S796 PolarHBondContact O-N 3.37Å; I794-N797 VanDerWaalsContact O-CB 3.28Å; I794-N797 WeakPolarHBondContact O-CB 3.31Å; I794-N797 PolarHBondContact O-N 3.08Å; I794-F800 HydrophobicContact CD1-CE2 4.14Å; I794-F800 HydrophobicContact CD1-CZ 4.19Å
795W84.2Confident66.5Low26 Ų2666.6 Ų66.610%0.09835%0.349CS..THydrogen-bonded Turntrans-72.1-27-176.7-49.5119.5000112.7I717 V735 L739 N797 F800 W801 T856I717-W795 HydrophobicContact CD1-CZ2 4.26Å; I717-W795 HydrophobicContact CG1-CH2 4.46Å; I717-W795 HydrophobicContact CG1-CZ2 4.13Å; I717-W795 HydrophobicContact CG2-CZ2 3.76Å; V735-W795 HydrophobicContact CG1-CZ3 4.49Å; L739-W795 HydrophobicContact CD1-CH2 4.4Å; L739-W795 HydrophobicContact CD1-CZ3 4.05Å; L739-W795 HydrophobicContact CD2-CH2 4.25Å; W795-N797 VanDerWaalsContact C-N 3.28Å; W795-F800 HydrophobicContact CE3-CD1 4.36Å; W795-F800 AromaticContact CE3-CE1 3.67Å; W795-F800 HydrophobicContact CE3-CE1 3.67Å; W795-F800 HydrophobicContact CE3-CZ 4.25Å; W795-F800 HydrophobicContact CH2-CZ 4.45Å; W795-F800 AromaticContact CZ3-CE1 3.48Å; W795-F800 HydrophobicContact CZ3-CE1 3.48Å; W795-F800 VanDerWaalsContact CZ3-CE1 3.48Å; W795-F800 AromaticContact CZ3-CZ 3.69Å; W795-F800 HydrophobicContact CZ3-CZ 3.69Å; W795-W801 HydrophobicContact CE3-CH2 4.12Å; W795-W801 AromaticContact CE3-CZ2 3.72Å; W795-W801 HydrophobicContact CE3-CZ2 3.72Å; W795-W801 HydrophobicContact CZ3-CH2 4.35Å; W795-W801 HydrophobicContact CZ3-CZ2 4.38Å; W795-W801 PolarHBondContact O-NE1 2.84Å; W795-T856 HydrophobicContact CD2-CG2 4.05Å; W795-T856 HydrophobicContact CE3-CG2 4.04Å; W795-T856 HydrophobicContact CG-CG2 4.31Å
796S79.9Confident69.2Low56 Ų5658 Ų5839%0.39231%0.311SS..THydrogen-bonded Turntrans-79.3-13.217257.10000112.5H793 I794 V798H793-S796 PolarHBondContact ND1-OG 2.91Å; H793-S796 PolarHBondContact O-OG 3.18Å; I794-S796 VanDerWaalsContact C-N 3.31Å; I794-S796 PolarHBondContact O-N 3.37Å; S796-V798 PolarHBondContact O-N 3.49Å
797N86Confident71.9Confident63 Ų6355 Ų5534%0.33730%0.296SS..  trans-79107.3176.7-169.7-22.8000110.2I794 W795 Q799 F800I794-N797 VanDerWaalsContact O-CB 3.28Å; I794-N797 WeakPolarHBondContact O-CB 3.31Å; I794-N797 PolarHBondContact O-N 3.08Å; W795-N797 VanDerWaalsContact C-N 3.28Å; N797-Q799 PolarHBondContact O-N 3.3Å; N797-Q799 VanDerWaalsContact OD1-CB 3.25Å; N797-Q799 WeakPolarHBondContact OD1-CB 3.17Å; N797-Q799 PolarHBondContact OD1-N 2.92Å; N797-F800 HydrophobicContact CB-CB 4.3Å; N797-F800 WeakPolarHBondContact O-CB 3.28Å; N797-F800 PolarHBondContact O-N 3.02Å; N797-F800 VanDerWaalsContact O-N 3.11Å
798V84.6Confident74.9Confident40 Ų4045.1 Ų45.124%0.24225%0.25CC..Hα-helixtrans-66.6-21.6-178-151.40000112.6S796 E802 A862 K866S796-V798 PolarHBondContact O-N 3.49Å; V798-E802 PolarHBondContact O-N 2.96Å; V798-A862 HydrophobicContact CG2-CB 4.21Å; V798-K866 HydrophobicContact CG1-CB 3.46Å; V798-K866 VanDerWaalsContact CG1-CB 3.46Å; V798-K866 HydrophobicContact CG1-CD 3.98Å; V798-K866 HydrophobicContact CG1-CG 3.6Å; V798-K866 WeakPolarHBondContact O-CE 3.48Å
799Q83.3Confident77.8Confident50 Ų5042.8 Ų42.823%0.23423%0.226CC..Hα-helixtrans-71.5-32.1174.9-168.159.13700112.2N797 W801 E802 N803N797-Q799 PolarHBondContact O-N 3.3Å; N797-Q799 VanDerWaalsContact OD1-CB 3.25Å; N797-Q799 WeakPolarHBondContact OD1-CB 3.17Å; N797-Q799 PolarHBondContact OD1-N 2.92Å; Q799-W801 VanDerWaalsContact C-N 3.33Å; Q799-W801 PolarHBondContact O-N 3.35Å; Q799-E802 PolarHBondContact O-N 3.32Å; Q799-E802 PolarHBondContact OE1-OE2 2.91Å; Q799-N803 PolarHBondContact NE2-OD1 2.71Å; Q799-N803 PolarHBondContact O-N 2.98Å; Q799-N803 VanDerWaalsContact O-N 3.08Å; Q799-N803 PolarHBondContact O-OD1 3.08Å
800F88.7Confident80.1Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-58.3-47.7175.2168.4-96.8000110.7F724 L732 V735 I794 W795 N797 E802 N803 V804F724-F800 HydrophobicContact CB-CD2 4.14Å; F724-F800 HydrophobicContact CB-CE2 4.43Å; F724-F800 HydrophobicContact CD1-CD2 4.24Å; F724-F800 HydrophobicContact CD2-CB 4.25Å; F724-F800 AromaticContact CD2-CD2 3.67Å; F724-F800 HydrophobicContact CD2-CD2 3.67Å; F724-F800 HydrophobicContact CD2-CG 4.45Å; F724-F800 HydrophobicContact CE1-CB 4.23Å; F724-F800 VanDerWaalsContact CE2-CA 3.5Å; F724-F800 HydrophobicContact CE2-CB 3.78Å; F724-F800 HydrophobicContact CE2-CD2 4.09Å; F724-F800 HydrophobicContact CE2-CG 4.45Å; F724-F800 AromaticContact CG-CD2 3.75Å; F724-F800 HydrophobicContact CG-CD2 3.75Å; F724-F800 HydrophobicContact CZ-CB 3.76Å; L732-F800 HydrophobicContact CD1-CD2 4.33Å; L732-F800 HydrophobicContact CD1-CE2 4.32Å; L732-F800 HydrophobicContact CD2-CE2 4.13Å; V735-F800 HydrophobicContact CG1-CE1 4.43Å; V735-F800 HydrophobicContact CG1-CZ 4.34Å; V735-F800 HydrophobicContact CG2-CE2 4.41Å; V735-F800 HydrophobicContact CG2-CZ 3.7Å; I794-F800 HydrophobicContact CD1-CE2 4.14Å; I794-F800 HydrophobicContact CD1-CZ 4.19Å; W795-F800 HydrophobicContact CE3-CD1 4.36Å; W795-F800 AromaticContact CE3-CE1 3.67Å; W795-F800 HydrophobicContact CE3-CE1 3.67Å; W795-F800 HydrophobicContact CE3-CZ 4.25Å; W795-F800 HydrophobicContact CH2-CZ 4.45Å; W795-F800 AromaticContact CZ3-CE1 3.48Å; W795-F800 HydrophobicContact CZ3-CE1 3.48Å; W795-F800 VanDerWaalsContact CZ3-CE1 3.48Å; W795-F800 AromaticContact CZ3-CZ 3.69Å; W795-F800 HydrophobicContact CZ3-CZ 3.69Å; N797-F800 HydrophobicContact CB-CB 4.3Å; N797-F800 WeakPolarHBondContact O-CB 3.28Å; N797-F800 PolarHBondContact O-N 3.02Å; N797-F800 VanDerWaalsContact O-N 3.11Å; F800-E802 VanDerWaalsContact C-N 3.33Å; F800-E802 PolarHBondContact O-N 2.85Å; F800-N803 PolarHBondContact O-N 3.18Å; F800-V804 HydrophobicContact CD1-CG2 4.17Å; F800-V804 HydrophobicContact CD2-CG2 4.45Å; F800-V804 HydrophobicContact CE1-CG2 3.76Å; F800-V804 HydrophobicContact CE2-CG2 4.09Å; F800-V804 HydrophobicContact CG-CG2 4.5Å; F800-V804 HydrophobicContact CZ-CG2 3.73Å; F800-V804 WeakPolarHBondContact O-CG2 3.43Å; F800-V804 PolarHBondContact O-N 3.27Å
801W91.6Very high82.2Confident0 Ų033.5 Ų33.50%018%0.179CC..Hα-helixtrans-65.7-32.7179.4-65.3104.6000113.7V735 L739 W795 Q799 F805 L849 L852 M853 T856V735-W801 HydrophobicContact CG1-CZ3 4.33Å; L739-W801 HydrophobicContact CD1-CH2 3.76Å; L739-W801 HydrophobicContact CD1-CZ3 4.24Å; W795-W801 HydrophobicContact CE3-CH2 4.12Å; W795-W801 AromaticContact CE3-CZ2 3.72Å; W795-W801 HydrophobicContact CE3-CZ2 3.72Å; W795-W801 HydrophobicContact CZ3-CH2 4.35Å; W795-W801 HydrophobicContact CZ3-CZ2 4.38Å; W795-W801 PolarHBondContact O-NE1 2.84Å; Q799-W801 VanDerWaalsContact C-N 3.33Å; Q799-W801 PolarHBondContact O-N 3.35Å; W801-F805 WeakPolarHBondContact O-CB 3.42Å; W801-F805 PolarHBondContact O-N 3.41Å; W801-L849 HydrophobicContact CE3-CD1 3.91Å; W801-L849 HydrophobicContact CE3-CG 4.13Å; W801-L849 HydrophobicContact CZ3-CD1 4.44Å; W801-L852 HydrophobicContact CH2-CB 4.16Å; W801-L852 HydrophobicContact CZ3-CB 4.01Å; W801-M853 HydrophobicContact CB-CE 4.07Å; W801-M853 HydrophobicContact CB-SD 4.17Å; W801-M853 HydrophobicContact CD2-CE 4.37Å; W801-M853 HydrophobicContact CD2-CG 3.41Å; W801-M853 VanDerWaalsContact CD2-CG 3.41Å; W801-M853 HydrophobicContact CD2-SD 4.18Å; W801-M853 HydrophobicContact CE3-CG 3.65Å; W801-M853 HydrophobicContact CG-CE 3.78Å; W801-M853 HydrophobicContact CG-CG 3.83Å; W801-M853 HydrophobicContact CG-SD 4.01Å; W801-M853 HydrophobicContact CH2-CG 4.18Å; W801-M853 HydrophobicContact CZ2-CG 3.99Å; W801-M853 HydrophobicContact CZ3-CG 4.03Å; W801-T856 HydrophobicContact CH2-CG2 4Å; W801-T856 HydrophobicContact CZ2-CG2 3.98Å; W801-T856 VanDerWaalsContact CZ2-OG1 3.3Å; W801-T856 WeakPolarHBondContact CZ2-OG1 3.38Å
802E90.1Very high84.1Confident10 Ų1030.2 Ų30.25%0.04716%0.157CC..Hα-helixtrans-66.5-40.9173.4-180158.9-140.100111.6V798 Q799 F800 F805 Y806 K866 L870 K873V798-E802 PolarHBondContact O-N 2.96Å; Q799-E802 PolarHBondContact O-N 3.32Å; Q799-E802 PolarHBondContact OE1-OE2 2.91Å; F800-E802 VanDerWaalsContact C-N 3.33Å; F800-E802 PolarHBondContact O-N 2.85Å; E802-F805 WeakPolarHBondContact O-CB 3.32Å; E802-F805 PolarHBondContact O-N 3.2Å; E802-Y806 HydrophobicContact CG-CD2 4.38Å; E802-Y806 HydrophobicContact CG-CE1 4.39Å; E802-Y806 HydrophobicContact CG-CE2 3.56Å; E802-Y806 VanDerWaalsContact O-CD2 3.3Å; E802-Y806 WeakPolarHBondContact O-CD2 3.4Å; E802-Y806 PolarHBondContact O-N 2.98Å; E802-Y806 VanDerWaalsContact O-N 3.14Å; E802-Y806 PolarHBondContact OE1-OH 2.91Å; E802-Y806 VanDerWaalsContact OE1-OH 3.06Å; E802-K866 HydrophobicContact CB-CD 4.38Å; E802-K866 IonicContact OE2-NZ 2.77Å; E802-K866 PolarHBondContact OE2-NZ 3.17Å; E802-L870 HydrophobicContact CG-CD2 4.06Å; E802-K873 IonicContact OE1-NZ 3.22Å; E802-K873 PolarHBondContact OE1-NZ 3.47Å
803N88.3Confident85.2Confident5 Ų526.3 Ų26.33%0.02714%0.142CC..Hα-helixtrans-68.9-39.9175.6-62.2-8.9000111.8L399 P729 L732 Q799 F800 F805 Y806 D807L399-N803 WeakPolarHBondContact CD2-OD1 3.38Å; P729-N803 WeakPolarHBondContact CB-ND2 3.18Å; P729-N803 WeakPolarHBondContact CG-ND2 3.47Å; L732-N803 HydrophobicContact CD1-CB 3.85Å; Q799-N803 PolarHBondContact NE2-OD1 2.71Å; Q799-N803 PolarHBondContact O-N 2.98Å; Q799-N803 VanDerWaalsContact O-N 3.08Å; Q799-N803 PolarHBondContact O-OD1 3.08Å; F800-N803 PolarHBondContact O-N 3.18Å; N803-F805 VanDerWaalsContact C-N 3.29Å; N803-F805 PolarHBondContact O-N 2.99Å; N803-Y806 PolarHBondContact O-N 3.21Å; N803-D807 PolarHBondContact O-N 3.27Å
804V91.6Very high85.6Confident0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-57.4-44.5172.41710000110.6L732 V735 M736 F800 Y806 D807 A808 L849L732-V804 HydrophobicContact CB-CG2 3.95Å; L732-V804 HydrophobicContact CD1-CG2 4.4Å; V735-V804 HydrophobicContact CB-CG1 3.96Å; V735-V804 HydrophobicContact CB-CG2 4.07Å; V735-V804 HydrophobicContact CG1-CG1 4.03Å; V735-V804 HydrophobicContact CG1-CG2 4.16Å; V735-V804 HydrophobicContact CG2-CG2 3.81Å; M736-V804 HydrophobicContact SD-CG1 4.27Å; F800-V804 HydrophobicContact CD1-CG2 4.17Å; F800-V804 HydrophobicContact CD2-CG2 4.45Å; F800-V804 HydrophobicContact CE1-CG2 3.76Å; F800-V804 HydrophobicContact CE2-CG2 4.09Å; F800-V804 HydrophobicContact CG-CG2 4.5Å; F800-V804 HydrophobicContact CZ-CG2 3.73Å; F800-V804 WeakPolarHBondContact O-CG2 3.43Å; F800-V804 PolarHBondContact O-N 3.27Å; V804-Y806 PolarHBondContact O-N 3Å; V804-D807 PolarHBondContact O-N 3.31Å; V804-A808 WeakPolarHBondContact O-CB 3.39Å; V804-A808 PolarHBondContact O-N 3.12Å; V804-L849 HydrophobicContact CB-CD1 4.34Å; V804-L849 HydrophobicContact CG1-CD1 3.75Å
805F93.2Very high85.1Confident0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-57.5-48.7177174-102.7000111.4W801 E802 N803 A808 V809 L842 I845 L846 L849 L870 T874W801-F805 WeakPolarHBondContact O-CB 3.42Å; W801-F805 PolarHBondContact O-N 3.41Å; E802-F805 WeakPolarHBondContact O-CB 3.32Å; E802-F805 PolarHBondContact O-N 3.2Å; N803-F805 VanDerWaalsContact C-N 3.29Å; N803-F805 PolarHBondContact O-N 2.99Å; F805-A808 PolarHBondContact O-N 3.39Å; F805-V809 HydrophobicContact CD1-CG2 4.43Å; F805-V809 HydrophobicContact CD2-CG2 4.06Å; F805-V809 HydrophobicContact CE1-CG2 4.02Å; F805-V809 HydrophobicContact CE2-CG2 3.6Å; F805-V809 HydrophobicContact CG-CG2 4.44Å; F805-V809 HydrophobicContact CZ-CG2 3.57Å; F805-V809 WeakPolarHBondContact O-CB 3.38Å; F805-V809 WeakPolarHBondContact O-CG2 3.35Å; F805-V809 PolarHBondContact O-N 2.94Å; F805-L842 HydrophobicContact CZ-CD2 4Å; F805-I845 HydrophobicContact CD2-CG2 3.71Å; F805-I845 HydrophobicContact CE2-CB 4.38Å; F805-I845 HydrophobicContact CE2-CG2 3.96Å; F805-L846 HydrophobicContact CD2-CD2 3.79Å; F805-L846 HydrophobicContact CD2-CG 4.4Å; F805-L846 HydrophobicContact CE2-CD2 3.53Å; F805-L846 HydrophobicContact CE2-CG 3.75Å; F805-L846 HydrophobicContact CZ-CD2 4.16Å; F805-L846 HydrophobicContact CZ-CG 4.4Å; F805-L849 HydrophobicContact CB-CD2 4.03Å; F805-L870 HydrophobicContact CB-CD1 4.13Å; F805-L870 HydrophobicContact CD1-CD1 4.23Å; F805-L870 HydrophobicContact CD1-CD2 3.97Å; F805-L870 HydrophobicContact CE1-CD2 4.4Å; F805-L870 HydrophobicContact CG-CD1 4.03Å; F805-T874 HydrophobicContact CE1-CG2 3.82Å; F805-T874 HydrophobicContact CZ-CG2 3.65Å
806Y87.6Confident84.4Confident6 Ų622.5 Ų22.52%0.02413%0.127CC..Hα-helixtrans-62.2-46-179.9-62.1-31000113.4R386 M388 A397 L399 E802 N803 V804 V809 A810 L870R386-Y806 HydrophobicContact CB-CD1 4.4Å; R386-Y806 HydrophobicContact CB-CD2 4.01Å; R386-Y806 HydrophobicContact CB-CG 3.81Å; R386-Y806 HydrophobicContact CG-CD2 3.97Å; R386-Y806 HydrophobicContact CG-CG 4.06Å; M388-Y806 HydrophobicContact CG-CD1 3.81Å; M388-Y806 HydrophobicContact CG-CE1 3.41Å; M388-Y806 VanDerWaalsContact CG-CE1 3.41Å; M388-Y806 HydrophobicContact SD-CD1 4.44Å; M388-Y806 HydrophobicContact SD-CE1 3.47Å; M388-Y806 WeakPolarHBondContact SD-CE1 3.34Å; A397-Y806 HydrophobicContact CB-CE1 4.09Å; A397-Y806 HydrophobicContact CB-CE2 4.06Å; A397-Y806 WeakPolarHBondContact CB-OH 3.28Å; L399-Y806 HydrophobicContact CD2-CD2 3.73Å; L399-Y806 HydrophobicContact CD2-CE2 3.63Å; E802-Y806 HydrophobicContact CG-CD2 4.38Å; E802-Y806 HydrophobicContact CG-CE1 4.39Å; E802-Y806 HydrophobicContact CG-CE2 3.56Å; E802-Y806 VanDerWaalsContact O-CD2 3.3Å; E802-Y806 WeakPolarHBondContact O-CD2 3.4Å; E802-Y806 PolarHBondContact O-N 2.98Å; E802-Y806 VanDerWaalsContact O-N 3.14Å; E802-Y806 PolarHBondContact OE1-OH 2.91Å; E802-Y806 VanDerWaalsContact OE1-OH 3.06Å; N803-Y806 PolarHBondContact O-N 3.21Å; V804-Y806 PolarHBondContact O-N 3Å; Y806-V809 PolarHBondContact O-N 3.22Å; Y806-A810 WeakPolarHBondContact O-CB 3.33Å; Y806-A810 PolarHBondContact O-N 3.24Å; Y806-L870 HydrophobicContact CE1-CD2 4.4Å
807D87.6Confident83.7Confident16 Ų1619.9 Ų19.99%0.08611%0.11CC..Hα-helixtrans-69.5-38.1-179.6-73.6-1.4000111.5R386 S730 C731 L732 A733 N803 V804 A810 Q811R386-D807 IonicContact NE-OD1 3.4Å; R386-D807 PolarHBondContact NE-OD1 3.25Å; S730-D807 VanDerWaalsContact C-OD2 3.26Å; S730-D807 VanDerWaalsContact CA-OD2 3.29Å; S730-D807 WeakPolarHBondContact CA-OD2 3.37Å; C731-D807 PolarHBondContact N-OD2 2.92Å; L732-D807 PolarHBondContact N-OD2 3.24Å; A733-D807 HydrophobicContact CB-CB 4.21Å; N803-D807 PolarHBondContact O-N 3.27Å; V804-D807 PolarHBondContact O-N 3.31Å; D807-A810 PolarHBondContact O-N 2.91Å; D807-Q811 WeakPolarHBondContact O-CB 3.44Å; D807-Q811 PolarHBondContact O-N 3.03Å
808A90.1Very high82.9Confident3 Ų317.2 Ų17.23%0.02510%0.095CC..Hα-helixtrans-64-42.8175.200000111.7M736 V804 F805 Q811 E812 I845M736-A808 HydrophobicContact CG-CB 3.79Å; M736-A808 HydrophobicContact SD-CB 4.46Å; V804-A808 WeakPolarHBondContact O-CB 3.39Å; V804-A808 PolarHBondContact O-N 3.12Å; F805-A808 PolarHBondContact O-N 3.39Å; A808-Q811 PolarHBondContact O-N 3.4Å; A808-E812 VanDerWaalsContact O-CB 3.28Å; A808-E812 WeakPolarHBondContact O-CB 3.44Å; A808-E812 VanDerWaalsContact O-CG 3.28Å; A808-E812 WeakPolarHBondContact O-CG 3.29Å; A808-E812 PolarHBondContact O-N 2.9Å; A808-I845 HydrophobicContact CB-CG2 4.07Å
809V88.7Confident81.9Confident0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-62-46.1175.7168.20000111.1F805 Y806 E812 R813 L841 L842 I845F805-V809 HydrophobicContact CD1-CG2 4.43Å; F805-V809 HydrophobicContact CD2-CG2 4.06Å; F805-V809 HydrophobicContact CE1-CG2 4.02Å; F805-V809 HydrophobicContact CE2-CG2 3.6Å; F805-V809 HydrophobicContact CG-CG2 4.44Å; F805-V809 HydrophobicContact CZ-CG2 3.57Å; F805-V809 WeakPolarHBondContact O-CB 3.38Å; F805-V809 WeakPolarHBondContact O-CG2 3.35Å; F805-V809 PolarHBondContact O-N 2.94Å; Y806-V809 PolarHBondContact O-N 3.22Å; V809-E812 PolarHBondContact O-N 3.46Å; V809-R813 VanDerWaalsContact CG1-NH1 3.31Å; V809-R813 WeakPolarHBondContact O-CG 3.47Å; V809-R813 PolarHBondContact O-N 3.25Å; V809-L841 HydrophobicContact CG1-CD2 4.32Å; V809-L842 HydrophobicContact CG1-CD2 3.98Å; V809-L842 HydrophobicContact CG2-CD2 3.84Å; V809-I845 HydrophobicContact CB-CD1 4.2Å; V809-I845 HydrophobicContact CG2-CD1 3.63Å; V809-I845 HydrophobicContact CG2-CG2 4.32Å
810A81.7Confident80.5Confident50 Ų5016.3 Ų16.341%0.4139%0.09SC..Hα-helixtrans-61-47.6178.700000111.6Y806 D807 R813 E814Y806-A810 WeakPolarHBondContact O-CB 3.33Å; Y806-A810 PolarHBondContact O-N 3.24Å; D807-A810 PolarHBondContact O-N 2.91Å; A810-R813 PolarHBondContact O-N 3.3Å; A810-E814 PolarHBondContact O-N 3.36Å; A810-E814 VanDerWaalsContact O-N 3.11Å
811Q83.4Confident78.6Confident34 Ų3419 Ų1916%0.15910%0.103CC..Hα-helixtrans-63-45.2178.1178.4175.38600112A733 D807 A808 R813 E814 I815A733-Q811 HydrophobicContact CB-CB 3.92Å; A733-Q811 VanDerWaalsContact CB-CD 3.49Å; A733-Q811 HydrophobicContact CB-CG 4.34Å; D807-Q811 WeakPolarHBondContact O-CB 3.44Å; D807-Q811 PolarHBondContact O-N 3.03Å; A808-Q811 PolarHBondContact O-N 3.4Å; Q811-R813 VanDerWaalsContact C-N 3.33Å; Q811-R813 PolarHBondContact O-N 3.07Å; Q811-E814 WeakPolarHBondContact O-CB 3.48Å; Q811-E814 PolarHBondContact O-N 3.41Å; Q811-I815 HydrophobicContact CG-CD1 3.84Å; Q811-I815 HydrophobicContact CG-CG1 4.48Å; Q811-I815 VanDerWaalsContact O-CG1 3.26Å; Q811-I815 WeakPolarHBondContact O-CG1 3.39Å; Q811-I815 PolarHBondContact O-N 2.83Å
812E83.2Confident76Confident9 Ų921.6 Ų21.64%0.04212%0.12CC..Hα-helixtrans-64.5-38.3-180-78.5-71.9112.800111.8A808 V809 I815 V816 L841 I845 G905 Y906A808-E812 VanDerWaalsContact O-CB 3.28Å; A808-E812 WeakPolarHBondContact O-CB 3.44Å; A808-E812 VanDerWaalsContact O-CG 3.28Å; A808-E812 WeakPolarHBondContact O-CG 3.29Å; A808-E812 PolarHBondContact O-N 2.9Å; V809-E812 PolarHBondContact O-N 3.46Å; E812-I815 PolarHBondContact O-N 3.35Å; E812-V816 WeakPolarHBondContact O-CB 3.18Å; E812-V816 VanDerWaalsContact O-CG2 3.29Å; E812-V816 WeakPolarHBondContact O-CG2 3.38Å; E812-V816 PolarHBondContact O-N 3.23Å; E812-L841 HydrophobicContact CB-CD1 3.86Å; E812-L841 HydrophobicContact CB-CD2 4.39Å; E812-L841 HydrophobicContact CB-CG 4.18Å; E812-I845 HydrophobicContact CB-CD1 3.93Å; E812-I845 HydrophobicContact CG-CD1 3.88Å; E812-I845 HydrophobicContact CG-CG1 4.4Å; E812-G905 VanDerWaalsContact OE2-CA 3.27Å; E812-G905 WeakPolarHBondContact OE2-CA 3.13Å; E812-G905 PolarHBondContact OE2-N 2.98Å; E812-Y906 WeakPolarHBondContact OE1-CD1 3.32Å; E812-Y906 PolarHBondContact OE1-N 3.48Å; E812-Y906 VanDerWaalsContact OE1-N 3.13Å
813R78.4Confident73.8Confident9 Ų926.3 Ų26.33%0.03414%0.137CC..Hα-helixtrans-62.3-43.1173.4-77.3-175.7-177.6121.821.4112.7V387 M388 V809 A810 Q811 I815 V816 G817 M818 E838 L841V387-R813 PolarHBondContact O-NH1 3.37Å; M388-R813 PolarHBondContact O-NH2 3.14Å; V809-R813 VanDerWaalsContact CG1-NH1 3.31Å; V809-R813 WeakPolarHBondContact O-CG 3.47Å; V809-R813 PolarHBondContact O-N 3.25Å; A810-R813 PolarHBondContact O-N 3.3Å; Q811-R813 VanDerWaalsContact C-N 3.33Å; Q811-R813 PolarHBondContact O-N 3.07Å; R813-I815 VanDerWaalsContact C-N 3.29Å; R813-I815 PolarHBondContact O-N 3.47Å; R813-V816 PolarHBondContact O-N 3.28Å; R813-G817 WeakPolarHBondContact O-CA 3.49Å; R813-G817 PolarHBondContact O-N 2.99Å; R813-M818 HydrophobicContact CB-CB 4.48Å; R813-M818 HydrophobicContact CG-CB 4.42Å; R813-M818 PolarHBondContact O-N 2.84Å; R813-E838 IonicContact CZ-OE1 3.64Å; R813-E838 IonicContact CZ-OE2 2.83Å; R813-E838 IonicContact NE-OE1 3.05Å; R813-E838 PolarHBondContact NE-OE1 2.83Å; R813-E838 IonicContact NE-OE2 3.3Å; R813-E838 PolarHBondContact NE-OE2 3.42Å; R813-E838 VanDerWaalsContact NE-OE2 3.11Å; R813-E838 IonicContact NH2-OE1 3.33Å; R813-E838 PolarHBondContact NH2-OE1 3.13Å; R813-E838 IonicContact NH2-OE2 2.73Å; R813-L841 HydrophobicContact CG-CD1 4.02Å
814E73.9Confident71.7Confident69 Ų6930.4 Ų30.432%0.32216%0.159SC..Hα-helixtrans-60.2-43.5176.1-173.9-172.817600110.8A810 Q811 G817 R939A810-E814 PolarHBondContact O-N 3.36Å; A810-E814 VanDerWaalsContact O-N 3.11Å; Q811-E814 WeakPolarHBondContact O-CB 3.48Å; Q811-E814 PolarHBondContact O-N 3.41Å; E814-G817 PolarHBondContact O-N 2.85Å; E814-R939 PolarHBondContact O-NH2 3.02Å
815I71.1Confident69.6Low26 Ų2632.6 Ų32.613%0.13317%0.17CC..Hα-helixtrans-66.6-41.8179.1-68.5174.2000111.5Q811 E812 R813 G817 L909 K911Q811-I815 HydrophobicContact CG-CD1 3.84Å; Q811-I815 HydrophobicContact CG-CG1 4.48Å; Q811-I815 VanDerWaalsContact O-CG1 3.26Å; Q811-I815 WeakPolarHBondContact O-CG1 3.39Å; Q811-I815 PolarHBondContact O-N 2.83Å; E812-I815 PolarHBondContact O-N 3.35Å; R813-I815 VanDerWaalsContact C-N 3.29Å; R813-I815 PolarHBondContact O-N 3.47Å; I815-G817 VanDerWaalsContact C-N 3.3Å; I815-L909 HydrophobicContact CG2-CB 4.44Å; I815-L909 HydrophobicContact CG2-CD1 4.18Å; I815-K911 WeakPolarHBondContact O-CE 3.38Å; I815-K911 PolarHBondContact O-NZ 2.9Å
816V70.2Confident67.3Low26 Ų2638 Ų3816%0.15820%0.203CC..Hα-helixtrans-75.4-22.4177.1179.70000111.4E812 R813 M818 L841 L909 R948E812-V816 WeakPolarHBondContact O-CB 3.18Å; E812-V816 VanDerWaalsContact O-CG2 3.29Å; E812-V816 WeakPolarHBondContact O-CG2 3.38Å; E812-V816 PolarHBondContact O-N 3.23Å; R813-V816 PolarHBondContact O-N 3.28Å; V816-M818 HydrophobicContact CB-CE 4.45Å; V816-M818 HydrophobicContact CB-CG 4.43Å; V816-M818 HydrophobicContact CG1-CE 4.16Å; V816-M818 HydrophobicContact CG1-CG 3.91Å; V816-M818 HydrophobicContact CG1-SD 4.32Å; V816-L841 HydrophobicContact CG2-CD1 4.35Å; V816-L909 HydrophobicContact CG2-CD1 4.07Å; V816-R948 PolarHBondContact O-NH1 2.96Å
817G64.5Low65.5Low2 Ų242.6 Ų42.62%0.02123%0.225CC..THydrogen-bonded Turntrans79.738.7-174.800000112.7R813 E814 I815 D819 R948R813-G817 WeakPolarHBondContact O-CA 3.49Å; R813-G817 PolarHBondContact O-N 2.99Å; E814-G817 PolarHBondContact O-N 2.85Å; I815-G817 VanDerWaalsContact C-N 3.3Å; G817-D819 WeakPolarHBondContact CA-OD1 3.45Å; G817-R948 PolarHBondContact O-NH1 2.78Å
818M68.5Low63.6Low6 Ų647.5 Ų47.53%0.0326%0.26CS..  trans-104.424.7173.9-66.6-164.9-61.800111.7L390 R813 V816 L820 L834 E837 L841L390-M818 WeakPolarHBondContact CD1-O 3.33Å; R813-M818 HydrophobicContact CB-CB 4.48Å; R813-M818 HydrophobicContact CG-CB 4.42Å; R813-M818 PolarHBondContact O-N 2.84Å; V816-M818 HydrophobicContact CB-CE 4.45Å; V816-M818 HydrophobicContact CB-CG 4.43Å; V816-M818 HydrophobicContact CG1-CE 4.16Å; V816-M818 HydrophobicContact CG1-CG 3.91Å; V816-M818 HydrophobicContact CG1-SD 4.32Å; M818-L820 PolarHBondContact O-N 2.87Å; M818-L834 HydrophobicContact CG-CD2 4.49Å; M818-E837 HydrophobicContact SD-CB 3.86Å; M818-L841 HydrophobicContact CE-CB 4.13Å; M818-L841 HydrophobicContact CE-CD1 3.41Å; M818-L841 VanDerWaalsContact CE-CD1 3.41Å; M818-L841 HydrophobicContact CE-CG 4.38Å
819D64.5Low62Low42 Ų4250.3 Ų50.323%0.22529%0.289CS..  trans-84.12.5-171.348-47.8000115.4G817 R939G817-D819 WeakPolarHBondContact CA-OD1 3.45Å; D819-R939 IonicContact OD1-CZ 3.41Å; D819-R939 IonicContact OD1-NH1 3.04Å; D819-R939 IonicContact OD1-NH2 2.93Å; D819-R939 PolarHBondContact OD1-NH2 3.31Å; D819-R939 IonicContact OD2-CZ 2.76Å; D819-R939 IonicContact OD2-NH1 3.35Å; D819-R939 PolarHBondContact OD2-NH1 3.24Å; D819-R939 IonicContact OD2-NH2 3.1Å; D819-R939 PolarHBondContact OD2-NH2 3.42Å
820L54.1Low60.7Low29 Ų2951.7 Ų51.715%0.15230%0.297CS..SBendtrans-83.9149.7-177.8-82.4168.4000114.6M818 D824 L825 L945M818-L820 PolarHBondContact O-N 2.87Å; L820-D824 HydrophobicContact CD2-CB 4.46Å; L820-L825 HydrophobicContact CB-CD1 3.91Å; L820-L825 HydrophobicContact CD1-CD1 3.92Å; L820-L825 HydrophobicContact CD1-CG 4.35Å; L820-L945 HydrophobicContact CD1-CB 4.27Å; L820-L945 HydrophobicContact CD1-CD2 3.46Å; L820-L945 VanDerWaalsContact CD1-CD2 3.46Å; L820-L945 HydrophobicContact CD1-CG 3.7Å; L820-L945 HydrophobicContact CD2-CB 4.44Å; L820-L945 HydrophobicContact CG-CB 4.09Å; L820-L945 HydrophobicContact CG-CD2 3.78Å; L820-L945 HydrophobicContact CG-CG 4.05Å
821E47.7Very low60Low58 Ų5854 Ų5427%0.27130%0.298SS..  trans-70.2150.1172.2-72.6-171.1158.100112F433 R823 D824F433-E821 WeakPolarHBondContact CZ-OE1 3.34Å; E821-R823 HydrophobicContact CB-CG 4.18Å; E821-R823 PolarHBondContact O-N 3.26Å; E821-R823 IonicContact OE1-NH2 3.6Å; E821-R823 PolarHBondContact OE1-NH2 2.82Å; E821-R823 IonicContact OE2-CZ 3.65Å; E821-R823 IonicContact OE2-NE 2.84Å; E821-R823 PolarHBondContact OE2-NE 3.13Å; E821-R823 IonicContact OE2-NH2 3.25Å; E821-R823 PolarHBondContact OE2-NH2 3Å; E821-D824 PolarHBondContact O-N 2.64Å
822P38.3Very low59.3Low53 Ų5360.5 Ų60.534%0.34433%0.325SS..THydrogen-bonded Turntrans-58.4-11.7-172.8-24.531.5000116.9P394P394-P822 HydrophobicContact CG-CG 3.56Å
823R42.5Very low58.8Low109 Ų10963 Ų6341%0.41134%0.335SS..THydrogen-bonded Turntrans-92.8-16.2-172.338.5179.2168.3-167-4.8113.9M1 E821 V826M1-R823 VanDerWaalsContact CE-NH1 3.34Å; E821-R823 HydrophobicContact CB-CG 4.18Å; E821-R823 PolarHBondContact O-N 3.26Å; E821-R823 IonicContact OE1-NH2 3.6Å; E821-R823 PolarHBondContact OE1-NH2 2.82Å; E821-R823 IonicContact OE2-CZ 3.65Å; E821-R823 IonicContact OE2-NE 2.84Å; E821-R823 PolarHBondContact OE2-NE 3.13Å; E821-R823 IonicContact OE2-NH2 3.25Å; E821-R823 PolarHBondContact OE2-NH2 3Å; R823-V826 WeakPolarHBondContact O-CG2 3.4Å
824D44.1Very low58.6Low91 Ų9163 Ų6349%0.48734%0.335SS..SBendtrans-95.9-3.9-175.3-63.1-29.3000113.3L820 E821L820-D824 HydrophobicContact CD2-CB 4.46Å; E821-D824 PolarHBondContact O-N 2.64Å
825L48.6Very low58.9Low46 Ų4662 Ų6224%0.24133%0.33CS..  trans-118.132.4-175.9-85.1153.1000113.1Y391 L820 H827 L834Y391-L825 WeakPolarHBondContact OH-CD1 3.49Å; L820-L825 HydrophobicContact CB-CD1 3.91Å; L820-L825 HydrophobicContact CD1-CD1 3.92Å; L820-L825 HydrophobicContact CD1-CG 4.35Å; L825-H827 PolarHBondContact O-N 3.09Å; L825-L834 HydrophobicContact CD1-CD1 4.16Å
826V44Very low59.4Low115 Ų11565.7 Ų65.770%0.69735%0.35SS*.  trans-76.161.2-175.7-1670000111.7R823R823-V826 WeakPolarHBondContact O-CG2 3.4Å
827H50.2Low59.9Low101 Ų10166.4 Ų66.447%0.46835%0.351SS..  trans-110.5118.3150.3-67.5-50.9000107.4L825 G829 D830 S973L825-H827 PolarHBondContact O-N 3.09Å; H827-G829 PolarHBondContact O-N 3.45Å; H827-D830 PolarHBondContact O-N 3.22Å; H827-D830 VanDerWaalsContact O-N 3.12Å; H827-S973 PolarHBondContact CE1-OG 3.49Å; H827-S973 PolarHBondContact ND1-OG 3.3Å
828S48.5Very low60.9Low119 Ų11966.3 Ų66.383%0.83235%0.35SS*.Hα-helixtrans-56.9-23.6-170.148.30000114.4
829G55.8Low62Low62 Ų6266.9 Ų66.964%0.63935%0.353SS*.Hα-helixtrans-71-35.9177.500000114.6H827 K831H827-G829 PolarHBondContact O-N 3.45Å; G829-K831 VanDerWaalsContact C-N 3.33Å; G829-K831 PolarHBondContact O-N 3.22Å
830D61.9Low63.1Low29 Ų2969.6 Ų69.616%0.15536%0.363CS..Hα-helixtrans-77.1-23-173.7-70.4-38.5000112.7H827 K832 R833 L834 W950H827-D830 PolarHBondContact O-N 3.22Å; H827-D830 VanDerWaalsContact O-N 3.12Å; D830-K832 PolarHBondContact O-N 3.36Å; D830-R833 PolarHBondContact O-N 2.77Å; D830-L834 HydrophobicContact CB-CD1 4.33Å; D830-L834 WeakPolarHBondContact O-CB 3.43Å; D830-L834 WeakPolarHBondContact O-CG 3.44Å; D830-L834 PolarHBondContact O-N 3.29Å; D830-W950 PolarHBondContact OD1-NE1 3.16Å
831K65.9Low64.8Low100 Ų10068.9 Ų68.944%0.43536%0.359SS..Hα-helixtrans-60.4-47.3-172.6-166.6-177.4175.5-177.70112.8G829 R833 L834 E835G829-K831 VanDerWaalsContact C-N 3.33Å; G829-K831 PolarHBondContact O-N 3.22Å; K831-R833 VanDerWaalsContact C-N 3.35Å; K831-R833 PolarHBondContact O-N 2.68Å; K831-L834 PolarHBondContact O-N 3.1Å; K831-E835 VanDerWaalsContact CE-OE1 3.3Å; K831-E835 WeakPolarHBondContact CE-OE1 3.48Å; K831-E835 WeakPolarHBondContact CG-OE1 3.28Å; K831-E835 WeakPolarHBondContact O-CB 3.34Å; K831-E835 VanDerWaalsContact O-CG 3.23Å; K831-E835 WeakPolarHBondContact O-CG 3.42Å; K831-E835 PolarHBondContact O-N 2.9Å
832K70.3Confident67Low169 Ų16966.1 Ų66.174%0.73535%0.347SS*.Hα-helixtrans-65.9-37.1179.2-74.6-174.3179.3178.30112.4D830 E835 L836D830-K832 PolarHBondContact O-N 3.36Å; K832-E835 PolarHBondContact O-N 2.96Å; K832-L836 PolarHBondContact O-N 3.44Å; K832-L836 VanDerWaalsContact O-N 3.14Å
833R71.8Confident69.6Low63 Ų6363.6 Ų63.624%0.23833%0.331CS..Hα-helixtrans-66.9-46.2177.7-175.7178179.9156.71110.6D830 K831 E835 L836 E837 E952D830-R833 PolarHBondContact O-N 2.77Å; K831-R833 VanDerWaalsContact C-N 3.35Å; K831-R833 PolarHBondContact O-N 2.68Å; R833-E835 VanDerWaalsContact C-N 3.34Å; R833-E835 PolarHBondContact O-N 3.24Å; R833-L836 PolarHBondContact O-N 2.89Å; R833-L836 VanDerWaalsContact O-N 3.16Å; R833-E837 IonicContact NE-OE1 2.73Å; R833-E837 PolarHBondContact O-N 2.85Å; R833-E952 IonicContact CZ-OE1 3.63Å; R833-E952 IonicContact NH1-OE1 3.47Å; R833-E952 PolarHBondContact NH1-OE1 2.8Å; R833-E952 IonicContact NH1-OE2 3.67Å; R833-E952 PolarHBondContact NH1-OE2 2.89Å; R833-E952 IonicContact NH2-OE1 2.97Å; R833-E952 PolarHBondContact NH2-OE1 3.21Å; R833-E952 VanDerWaalsContact NH2-OE1 3.1Å
834L74.9Confident72Confident7 Ų759.2 Ų59.24%0.03732%0.316CS..Hα-helixtrans-62.6-38.9176-69.8171.2000112.2Y391 M818 L825 D830 K831 L836 E837 E838 W950Y391-L834 HydrophobicContact CD1-CB 4.42Å; Y391-L834 HydrophobicContact CD2-CB 4.14Å; Y391-L834 HydrophobicContact CE1-CD1 4.14Å; Y391-L834 HydrophobicContact CE2-CB 4.34Å; Y391-L834 HydrophobicContact CE2-CD1 4.37Å; Y391-L834 HydrophobicContact CG-CB 4.2Å; M818-L834 HydrophobicContact CG-CD2 4.49Å; L825-L834 HydrophobicContact CD1-CD1 4.16Å; D830-L834 HydrophobicContact CB-CD1 4.33Å; D830-L834 WeakPolarHBondContact O-CB 3.43Å; D830-L834 WeakPolarHBondContact O-CG 3.44Å; D830-L834 PolarHBondContact O-N 3.29Å; K831-L834 PolarHBondContact O-N 3.1Å; L834-L836 VanDerWaalsContact C-N 3.3Å; L834-L836 PolarHBondContact O-N 3.23Å; L834-E837 PolarHBondContact O-N 3.37Å; L834-E838 WeakPolarHBondContact O-CB 3.38Å; L834-E838 PolarHBondContact O-N 3.32Å; L834-W950 HydrophobicContact CD2-CZ2 4.45Å
835E79.5Confident74.4Confident49 Ų4955 Ų5523%0.22929%0.293CS..Hα-helixtrans-58.6-41.7172.9-75.7169.5-161.200112.1P392 K831 K832 R833 D839P392-E835 HydrophobicContact CB-CG 4.23Å; P392-E835 VanDerWaalsContact CB-OE1 3.26Å; P392-E835 WeakPolarHBondContact CB-OE1 3.22Å; K831-E835 VanDerWaalsContact CE-OE1 3.3Å; K831-E835 WeakPolarHBondContact CE-OE1 3.48Å; K831-E835 WeakPolarHBondContact CG-OE1 3.28Å; K831-E835 WeakPolarHBondContact O-CB 3.34Å; K831-E835 VanDerWaalsContact O-CG 3.23Å; K831-E835 WeakPolarHBondContact O-CG 3.42Å; K831-E835 PolarHBondContact O-N 2.9Å; K832-E835 PolarHBondContact O-N 2.96Å; R833-E835 VanDerWaalsContact C-N 3.34Å; R833-E835 PolarHBondContact O-N 3.24Å; E835-D839 PolarHBondContact O-N 3.25Å
836L82.1Confident76.7Confident103 Ų10352.8 Ų52.854%0.53928%0.281SS..Hα-helixtrans-75.7-37.3-177.8-144.3142.5000112.1K832 R833 L834 K840 Y880K832-L836 PolarHBondContact O-N 3.44Å; K832-L836 VanDerWaalsContact O-N 3.14Å; R833-L836 PolarHBondContact O-N 2.89Å; R833-L836 VanDerWaalsContact O-N 3.16Å; L834-L836 VanDerWaalsContact C-N 3.3Å; L834-L836 PolarHBondContact O-N 3.23Å; L836-K840 WeakPolarHBondContact O-CB 3.49Å; L836-K840 PolarHBondContact O-N 3.47Å; L836-Y880 HydrophobicContact CD2-CE2 4.35Å
837E80.7Confident79.1Confident41 Ų4147.9 Ų47.919%0.19225%0.251CS..Hα-helixtrans-64.9-40171.3-73.8-173.4-178.200112.1M818 R833 L834 K840 L841 W950M818-E837 HydrophobicContact SD-CB 3.86Å; R833-E837 IonicContact NE-OE1 2.73Å; R833-E837 PolarHBondContact O-N 2.85Å; L834-E837 PolarHBondContact O-N 3.37Å; E837-K840 PolarHBondContact O-N 3.21Å; E837-L841 WeakPolarHBondContact O-CB 3.4Å; E837-L841 PolarHBondContact O-N 2.97Å; E837-W950 WeakPolarHBondContact OE1-CH2 3.48Å; E837-W950 WeakPolarHBondContact OE2-CH2 3.38Å
838E85.7Confident81.3Confident0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-63.8-46.3175-179.379.1161.200111.4R389 L390 R813 L834 K840 L841 L842R389-E838 WeakPolarHBondContact CA-OE1 3.15Å; R389-E838 HydrophobicContact CG-CG 4.29Å; L390-E838 PolarHBondContact N-OE1 3Å; R813-E838 IonicContact CZ-OE1 3.64Å; R813-E838 IonicContact CZ-OE2 2.83Å; R813-E838 IonicContact NE-OE1 3.05Å; R813-E838 PolarHBondContact NE-OE1 2.83Å; R813-E838 IonicContact NE-OE2 3.3Å; R813-E838 PolarHBondContact NE-OE2 3.42Å; R813-E838 VanDerWaalsContact NE-OE2 3.11Å; R813-E838 IonicContact NH2-OE1 3.33Å; R813-E838 PolarHBondContact NH2-OE1 3.13Å; R813-E838 IonicContact NH2-OE2 2.73Å; L834-E838 WeakPolarHBondContact O-CB 3.38Å; L834-E838 PolarHBondContact O-N 3.32Å; E838-K840 VanDerWaalsContact C-N 3.32Å; E838-K840 PolarHBondContact O-N 3.39Å; E838-L841 PolarHBondContact O-N 3.49Å; E838-L842 HydrophobicContact CG-CD1 4.05Å; E838-L842 VanDerWaalsContact O-CG 3.28Å; E838-L842 WeakPolarHBondContact O-CG 3.3Å; E838-L842 PolarHBondContact O-N 3.45Å
839D90Very high83.5Confident18 Ų1837.5 Ų37.510%0.09619%0.19CC..Hα-helixtrans-59.4-43.8175.3-85.4-4.6000111.6R389 E835 L842 A843 I876 G877 Y880R389-D839 IonicContact CZ-OD1 2.93Å; R389-D839 IonicContact NH1-OD1 3.79Å; R389-D839 PolarHBondContact NH1-OD1 3.11Å; R389-D839 IonicContact NH2-OD1 3.48Å; R389-D839 PolarHBondContact NH2-OD1 3.46Å; E835-D839 PolarHBondContact O-N 3.25Å; D839-L842 PolarHBondContact O-N 3.36Å; D839-A843 VanDerWaalsContact O-CB 3.26Å; D839-A843 WeakPolarHBondContact O-CB 3.31Å; D839-A843 PolarHBondContact O-N 2.97Å; D839-I876 HydrophobicContact CB-CG2 4.26Å; D839-G877 PolarHBondContact OD1-N 3.2Å; D839-G877 VanDerWaalsContact OD2-CA 3.29Å; D839-G877 WeakPolarHBondContact OD2-CA 2.94Å; D839-G877 PolarHBondContact OD2-N 3.33Å; D839-Y880 HydrophobicContact CB-CD2 3.6Å; D839-Y880 HydrophobicContact CB-CE2 3.89Å
840K88.8Confident85.3Confident99 Ų9934.6 Ų34.643%0.4316%0.16SC..Hα-helixtrans-62.3-43.9177-173.5-179.4178.7-178.90111.8L836 E837 E838 T844 Y880L836-K840 WeakPolarHBondContact O-CB 3.49Å; L836-K840 PolarHBondContact O-N 3.47Å; E837-K840 PolarHBondContact O-N 3.21Å; E838-K840 VanDerWaalsContact C-N 3.32Å; E838-K840 PolarHBondContact O-N 3.39Å; K840-T844 WeakPolarHBondContact O-CB 3.21Å; K840-T844 PolarHBondContact O-N 2.64Å; K840-T844 PolarHBondContact O-OG1 3.24Å; K840-Y880 HydrophobicContact CB-CE1 4.25Å; K840-Y880 HydrophobicContact CB-CE2 4.36Å; K840-Y880 HydrophobicContact CG-CE1 4.27Å
841L90.4Very high86.8Confident14 Ų1433.2 Ų33.27%0.07315%0.152CC..Hα-helixtrans-59.7-51.5177.1178.9155.7000110.4V809 E812 R813 V816 M818 E837 E838 A843 T844 I845V809-L841 HydrophobicContact CG1-CD2 4.32Å; E812-L841 HydrophobicContact CB-CD1 3.86Å; E812-L841 HydrophobicContact CB-CD2 4.39Å; E812-L841 HydrophobicContact CB-CG 4.18Å; R813-L841 HydrophobicContact CG-CD1 4.02Å; V816-L841 HydrophobicContact CG2-CD1 4.35Å; M818-L841 HydrophobicContact CE-CB 4.13Å; M818-L841 HydrophobicContact CE-CD1 3.41Å; M818-L841 VanDerWaalsContact CE-CD1 3.41Å; M818-L841 HydrophobicContact CE-CG 4.38Å; E837-L841 WeakPolarHBondContact O-CB 3.4Å; E837-L841 PolarHBondContact O-N 2.97Å; E838-L841 PolarHBondContact O-N 3.49Å; L841-A843 VanDerWaalsContact C-N 3.35Å; L841-A843 PolarHBondContact O-N 3.18Å; L841-T844 PolarHBondContact O-N 3.27Å; L841-I845 HydrophobicContact CD2-CD1 3.54Å; L841-I845 HydrophobicContact CG-CD1 4.18Å; L841-I845 WeakPolarHBondContact O-CG1 3.5Å; L841-I845 PolarHBondContact O-N 3.48Å
842L92.8Very high88Confident0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-62.4-42.7-178.2-67.9168.7000111.8M388 R389 F805 V809 E838 D839 I845 L846 T874 I876M388-L842 VanDerWaalsContact O-CD2 3.31Å; M388-L842 WeakPolarHBondContact O-CD2 3.34Å; R389-L842 HydrophobicContact CB-CD1 4.47Å; R389-L842 HydrophobicContact CG-CD1 4.4Å; F805-L842 HydrophobicContact CZ-CD2 4Å; V809-L842 HydrophobicContact CG1-CD2 3.98Å; V809-L842 HydrophobicContact CG2-CD2 3.84Å; E838-L842 HydrophobicContact CG-CD1 4.05Å; E838-L842 VanDerWaalsContact O-CG 3.28Å; E838-L842 WeakPolarHBondContact O-CG 3.3Å; E838-L842 PolarHBondContact O-N 3.45Å; D839-L842 PolarHBondContact O-N 3.36Å; L842-I845 PolarHBondContact O-N 3.13Å; L842-L846 WeakPolarHBondContact O-CB 3.48Å; L842-L846 WeakPolarHBondContact O-CG 3.48Å; L842-L846 PolarHBondContact O-N 3.2Å; L842-T874 HydrophobicContact CD2-CG2 4.27Å; L842-I876 HydrophobicContact CB-CD1 3.47Å; L842-I876 VanDerWaalsContact CB-CD1 3.47Å; L842-I876 HydrophobicContact CB-CG1 3.91Å; L842-I876 HydrophobicContact CD1-CG1 4.16Å
843A93.6Very high89Confident1 Ų120.5 Ų20.51%0.00810%0.097CC..Hα-helixtrans-64.4-42.4177.200000112.1D839 L841 I845 L846 H847 Y880 I884D839-A843 VanDerWaalsContact O-CB 3.26Å; D839-A843 WeakPolarHBondContact O-CB 3.31Å; D839-A843 PolarHBondContact O-N 2.97Å; L841-A843 VanDerWaalsContact C-N 3.35Å; L841-A843 PolarHBondContact O-N 3.18Å; A843-I845 PolarHBondContact O-N 3.27Å; A843-L846 PolarHBondContact O-N 3.38Å; A843-H847 WeakPolarHBondContact O-CB 3.37Å; A843-H847 PolarHBondContact O-N 2.91Å; A843-Y880 HydrophobicContact CB-CD1 3.93Å; A843-Y880 HydrophobicContact CB-CG 4.05Å; A843-I884 WeakPolarHBondContact O-CD1 3.46Å
844T93.2Very high89.8Confident16 Ų1617.9 Ų17.910%0.0989%0.088CC..Hα-helixtrans-60.7-45.8177.4-59.20000111.1K840 L841 H847 N848 K902K840-T844 WeakPolarHBondContact O-CB 3.21Å; K840-T844 PolarHBondContact O-N 2.64Å; K840-T844 PolarHBondContact O-OG1 3.24Å; L841-T844 PolarHBondContact O-N 3.27Å; T844-H847 PolarHBondContact O-N 2.76Å; T844-N848 WeakPolarHBondContact O-CB 3.39Å; T844-N848 PolarHBondContact O-N 2.8Å; T844-K902 HydrophobicContact CG2-CB 3.83Å
845I94.5Very high90.3Very high2 Ų217.6 Ų17.61%0.019%0.087CC..Hα-helixtrans-65.9-43.7178.3-63172.8000110.6F805 A808 V809 E812 L841 L842 A843 H847 N848 L849F805-I845 HydrophobicContact CD2-CG2 3.71Å; F805-I845 HydrophobicContact CE2-CB 4.38Å; F805-I845 HydrophobicContact CE2-CG2 3.96Å; A808-I845 HydrophobicContact CB-CG2 4.07Å; V809-I845 HydrophobicContact CB-CD1 4.2Å; V809-I845 HydrophobicContact CG2-CD1 3.63Å; V809-I845 HydrophobicContact CG2-CG2 4.32Å; E812-I845 HydrophobicContact CB-CD1 3.93Å; E812-I845 HydrophobicContact CG-CD1 3.88Å; E812-I845 HydrophobicContact CG-CG1 4.4Å; L841-I845 HydrophobicContact CD2-CD1 3.54Å; L841-I845 HydrophobicContact CG-CD1 4.18Å; L841-I845 WeakPolarHBondContact O-CG1 3.5Å; L841-I845 PolarHBondContact O-N 3.48Å; L842-I845 PolarHBondContact O-N 3.13Å; A843-I845 PolarHBondContact O-N 3.27Å; I845-H847 PolarHBondContact O-N 3.44Å; I845-N848 PolarHBondContact O-N 3.36Å; I845-L849 VanDerWaalsContact O-CB 3.25Å; I845-L849 WeakPolarHBondContact O-CB 3.32Å; I845-L849 PolarHBondContact O-N 3.16Å
846L95.9Very high90.6Very high0 Ų015.9 Ų15.90%08%0.079CC..Hα-helixtrans-63-41.2177.2-73.1174.6000112.7F805 L842 A843 L849 C850 I867 L870 L871 I876 I884F805-L846 HydrophobicContact CD2-CD2 3.79Å; F805-L846 HydrophobicContact CD2-CG 4.4Å; F805-L846 HydrophobicContact CE2-CD2 3.53Å; F805-L846 HydrophobicContact CE2-CG 3.75Å; F805-L846 HydrophobicContact CZ-CD2 4.16Å; F805-L846 HydrophobicContact CZ-CG 4.4Å; L842-L846 WeakPolarHBondContact O-CB 3.48Å; L842-L846 WeakPolarHBondContact O-CG 3.48Å; L842-L846 PolarHBondContact O-N 3.2Å; A843-L846 PolarHBondContact O-N 3.38Å; L846-L849 PolarHBondContact O-N 3.36Å; L846-C850 WeakPolarHBondContact O-CB 3.23Å; L846-C850 PolarHBondContact O-N 3.33Å; L846-I867 HydrophobicContact CD2-CD1 4.45Å; L846-I867 HydrophobicContact CD2-CG2 4.4Å; L846-L870 HydrophobicContact CD2-CB 3.79Å; L846-L870 HydrophobicContact CD2-CD1 4.18Å; L846-L871 HydrophobicContact CD1-CB 4.31Å; L846-L871 HydrophobicContact CD1-CD1 3.97Å; L846-I876 HydrophobicContact CD1-CD1 3.61Å; L846-I884 HydrophobicContact CB-CD1 4.24Å
847H95.4Very high90.6Very high13 Ų1315.9 Ų15.96%0.068%0.08CC..Hα-helixtrans-59.5-50.9175.2177.897.4000110.8A843 T844 I845 C850 A851 I884 R900 K902A843-H847 WeakPolarHBondContact O-CB 3.37Å; A843-H847 PolarHBondContact O-N 2.91Å; T844-H847 PolarHBondContact O-N 2.76Å; I845-H847 PolarHBondContact O-N 3.44Å; H847-C850 WeakPolarHBondContact O-CB 3.46Å; H847-C850 PolarHBondContact O-N 3.35Å; H847-A851 PolarHBondContact O-N 2.98Å; H847-I884 HydrophobicContact CB-CD1 3.86Å; H847-R900 PolarHBondContact NE2-O 3.47Å; H847-K902 HydrophobicContact CB-CD 4.43Å
848N95.1Very high90.8Very high2 Ų214.3 Ų14.31%0.0117%0.073CC..Hα-helixtrans-65.6-40.9179.3-74.2-9.4000111.5M736 T844 I845 C850 A851 L852 L901 K902 C904M736-N848 HydrophobicContact CE-CB 3.53Å; T844-N848 WeakPolarHBondContact O-CB 3.39Å; T844-N848 PolarHBondContact O-N 2.8Å; I845-N848 PolarHBondContact O-N 3.36Å; N848-C850 VanDerWaalsContact C-N 3.29Å; N848-C850 PolarHBondContact O-N 3.12Å; N848-A851 WeakPolarHBondContact O-CB 3.46Å; N848-A851 PolarHBondContact O-N 3.25Å; N848-A851 VanDerWaalsContact O-N 3.14Å; N848-L852 WeakPolarHBondContact O-CB 3.41Å; N848-L852 VanDerWaalsContact O-CG 3.25Å; N848-L852 WeakPolarHBondContact O-CG 3.27Å; N848-L852 PolarHBondContact O-N 3.41Å; N848-L901 HydrophobicContact CB-CD2 4.2Å; N848-L901 WeakPolarHBondContact OD1-CA 3.41Å; N848-K902 PolarHBondContact ND2-O 3.38Å; N848-K902 PolarHBondContact OD1-N 3.33Å; N848-C904 PolarHBondContact ND2-SG 3.02Å
849L95.1Very high90.9Very high0 Ų017.9 Ų17.90%010%0.097CC..Hα-helixtrans-58.3-43.6175.2-155.683.2000110.8M736 W801 V804 F805 I845 L846 A851 L852 M853 I867 L870M736-L849 HydrophobicContact SD-CD1 4.2Å; W801-L849 HydrophobicContact CE3-CD1 3.91Å; W801-L849 HydrophobicContact CE3-CG 4.13Å; W801-L849 HydrophobicContact CZ3-CD1 4.44Å; V804-L849 HydrophobicContact CB-CD1 4.34Å; V804-L849 HydrophobicContact CG1-CD1 3.75Å; F805-L849 HydrophobicContact CB-CD2 4.03Å; I845-L849 VanDerWaalsContact O-CB 3.25Å; I845-L849 WeakPolarHBondContact O-CB 3.32Å; I845-L849 PolarHBondContact O-N 3.16Å; L846-L849 PolarHBondContact O-N 3.36Å; L849-A851 PolarHBondContact O-N 2.7Å; L849-L852 PolarHBondContact O-N 3.4Å; L849-M853 HydrophobicContact CD2-SD 4.46Å; L849-M853 HydrophobicContact CG-SD 4.44Å; L849-M853 WeakPolarHBondContact O-CB 3.45Å; L849-M853 WeakPolarHBondContact O-CG 3.46Å; L849-M853 PolarHBondContact O-N 2.97Å; L849-I867 HydrophobicContact CB-CD1 4.27Å; L849-I867 HydrophobicContact CD2-CD1 3.79Å; L849-I867 HydrophobicContact CG-CD1 4.43Å; L849-L870 HydrophobicContact CD2-CD1 4.2Å
850C94.8Very high90.9Very high1 Ų120.8 Ų20.81%0.00711%0.108CC..Hα-helixtrans-59.7-46.8174.7-175.70000111.7L846 H847 N848 L852 M853 V854 I867 L887L846-C850 WeakPolarHBondContact O-CB 3.23Å; L846-C850 PolarHBondContact O-N 3.33Å; H847-C850 WeakPolarHBondContact O-CB 3.46Å; H847-C850 PolarHBondContact O-N 3.35Å; N848-C850 VanDerWaalsContact C-N 3.29Å; N848-C850 PolarHBondContact O-N 3.12Å; C850-L852 PolarHBondContact O-N 3.45Å; C850-M853 PolarHBondContact O-N 3.09Å; C850-V854 WeakPolarHBondContact O-CG2 3.09Å; C850-V854 PolarHBondContact O-N 2.93Å; C850-I867 HydrophobicContact CB-CG1 4.42Å; C850-L887 HydrophobicContact CB-CD2 4.01Å
851A92Very high91Very high0 Ų025.5 Ų25.50%012%0.123CC..Hα-helixtrans-59.2-45.3176.700000112.3H847 N848 L849 V854 L855 I899 L901H847-A851 PolarHBondContact O-N 2.98Å; N848-A851 WeakPolarHBondContact O-CB 3.46Å; N848-A851 PolarHBondContact O-N 3.25Å; N848-A851 VanDerWaalsContact O-N 3.14Å; L849-A851 PolarHBondContact O-N 2.7Å; A851-V854 PolarHBondContact O-N 2.92Å; A851-L855 PolarHBondContact O-N 2.97Å; A851-I899 HydrophobicContact CB-CB 3.75Å; A851-I899 HydrophobicContact CB-CG2 3.73Å; A851-L901 HydrophobicContact CB-CD2 3.55Å
852L91.5Very high91Very high2 Ų225.8 Ų25.81%0.0113%0.128CC..Hα-helixtrans-68.3-38.4179.5-64.4-177.2000112.3M736 L739 W801 N848 L849 C850 V854 L855 T856 L901M736-L852 HydrophobicContact CE-CD1 4.16Å; M736-L852 HydrophobicContact SD-CD1 3.7Å; L739-L852 HydrophobicContact CB-CD1 4.04Å; L739-L852 HydrophobicContact CB-CD2 3.58Å; L739-L852 HydrophobicContact CB-CG 4.27Å; L739-L852 HydrophobicContact CD1-CB 4.18Å; L739-L852 HydrophobicContact CD1-CD1 4.32Å; W801-L852 HydrophobicContact CH2-CB 4.16Å; W801-L852 HydrophobicContact CZ3-CB 4.01Å; N848-L852 WeakPolarHBondContact O-CB 3.41Å; N848-L852 VanDerWaalsContact O-CG 3.25Å; N848-L852 WeakPolarHBondContact O-CG 3.27Å; N848-L852 PolarHBondContact O-N 3.41Å; L849-L852 PolarHBondContact O-N 3.4Å; C850-L852 PolarHBondContact O-N 3.45Å; L852-V854 VanDerWaalsContact C-N 3.33Å; L852-V854 PolarHBondContact O-N 3.33Å; L852-L855 HydrophobicContact CD2-CD2 4.42Å; L852-L855 WeakPolarHBondContact O-CB 3.47Å; L852-L855 PolarHBondContact O-N 3.45Å; L852-T856 WeakPolarHBondContact O-CG2 3.43Å; L852-T856 PolarHBondContact O-N 3.19Å; L852-T856 PolarHBondContact O-OG1 3.36Å; L852-L901 HydrophobicContact CD2-CD1 4.36Å; L852-L901 HydrophobicContact CD2-CD2 4.09Å; L852-L901 HydrophobicContact CG-CD2 4.36Å
853M91.2Very high90.9Very high0 Ų025.8 Ų25.80%013%0.128CC..Hα-helixtrans-63.2-40.6174.4-72.2175.886.400111.6W801 L849 C850 T856 N857 C858 I863 I867W801-M853 HydrophobicContact CB-CE 4.07Å; W801-M853 HydrophobicContact CB-SD 4.17Å; W801-M853 HydrophobicContact CD2-CE 4.37Å; W801-M853 HydrophobicContact CD2-CG 3.41Å; W801-M853 VanDerWaalsContact CD2-CG 3.41Å; W801-M853 HydrophobicContact CD2-SD 4.18Å; W801-M853 HydrophobicContact CE3-CG 3.65Å; W801-M853 HydrophobicContact CG-CE 3.78Å; W801-M853 HydrophobicContact CG-CG 3.83Å; W801-M853 HydrophobicContact CG-SD 4.01Å; W801-M853 HydrophobicContact CH2-CG 4.18Å; W801-M853 HydrophobicContact CZ2-CG 3.99Å; W801-M853 HydrophobicContact CZ3-CG 4.03Å; L849-M853 HydrophobicContact CD2-SD 4.46Å; L849-M853 HydrophobicContact CG-SD 4.44Å; L849-M853 WeakPolarHBondContact O-CB 3.45Å; L849-M853 WeakPolarHBondContact O-CG 3.46Å; L849-M853 PolarHBondContact O-N 2.97Å; C850-M853 PolarHBondContact O-N 3.09Å; M853-T856 PolarHBondContact O-N 3.06Å; M853-T856 PolarHBondContact O-OG1 2.75Å; M853-N857 PolarHBondContact O-N 2.99Å; M853-C858 HydrophobicContact CB-CB 4.15Å; M853-C858 WeakPolarHBondContact O-CB 3.47Å; M853-C858 PolarHBondContact O-N 3.38Å; M853-I863 HydrophobicContact CB-CD1 3.81Å; M853-I863 HydrophobicContact CB-CG1 3.91Å; M853-I863 HydrophobicContact CB-CG2 4.2Å; M853-I863 HydrophobicContact CE-CB 4.29Å; M853-I863 HydrophobicContact CE-CG1 3.96Å; M853-I863 HydrophobicContact CE-CG2 4.33Å; M853-I863 HydrophobicContact SD-CG1 4.48Å; M853-I863 HydrophobicContact SD-CG2 3.99Å; M853-I867 HydrophobicContact SD-CD1 4.05Å; M853-I867 HydrophobicContact SD-CG1 4.42Å
854V87.9Confident90.9Very high8 Ų826.3 Ų26.35%0.04813%0.132CC..Hα-helixtrans-64.9-40.8174.3172.50000111.1C850 A851 L852 T856 N857 I863 I891 I899C850-V854 WeakPolarHBondContact O-CG2 3.09Å; C850-V854 PolarHBondContact O-N 2.93Å; A851-V854 PolarHBondContact O-N 2.92Å; L852-V854 VanDerWaalsContact C-N 3.33Å; L852-V854 PolarHBondContact O-N 3.33Å; V854-T856 VanDerWaalsContact C-N 3.32Å; V854-T856 PolarHBondContact O-N 2.94Å; V854-N857 PolarHBondContact O-N 3.47Å; V854-I863 HydrophobicContact CG2-CD1 3.78Å; V854-I891 HydrophobicContact CG2-CD1 4.09Å; V854-I891 HydrophobicContact CG2-CG1 4Å; V854-I899 HydrophobicContact CB-CD1 4.38Å; V854-I899 HydrophobicContact CG2-CD1 3.99Å
855L86Confident90.9Very high1 Ų129.6 Ų29.61%0.00515%0.146CC..Hα-helixtrans-57.3-45.5175.4-177.671.9000111.4H743 W775 A851 L852 N857 N897H743-L855 HydrophobicContact CB-CD2 3.97Å; W775-L855 HydrophobicContact CB-CD1 3.84Å; W775-L855 HydrophobicContact CB-CD2 4.31Å; W775-L855 HydrophobicContact CB-CG 4.17Å; W775-L855 HydrophobicContact CD2-CD2 4.4Å; W775-L855 HydrophobicContact CD2-CG 4.17Å; W775-L855 HydrophobicContact CG-CD1 3.83Å; W775-L855 HydrophobicContact CG-CD2 4.23Å; W775-L855 HydrophobicContact CG-CG 3.8Å; W775-L855 PolarHBondContact NE1-O 2.89Å; A851-L855 PolarHBondContact O-N 2.97Å; L852-L855 HydrophobicContact CD2-CD2 4.42Å; L852-L855 WeakPolarHBondContact O-CB 3.47Å; L852-L855 PolarHBondContact O-N 3.45Å; L855-N857 PolarHBondContact O-N 3.11Å; L855-N897 HydrophobicContact CD1-CB 4.14Å
856T85.4Confident90.8Very high12 Ų1230.7 Ų30.77%0.07415%0.151CC..THydrogen-bonded Turntrans-799.3-178.763.20000115.3L739 W775 W795 W801 L852 M853 V854 C858L739-T856 HydrophobicContact CD1-CG2 4.12Å; W775-T856 HydrophobicContact CH2-CG2 3.89Å; W775-T856 HydrophobicContact CZ2-CG2 3.93Å; W795-T856 HydrophobicContact CD2-CG2 4.05Å; W795-T856 HydrophobicContact CE3-CG2 4.04Å; W795-T856 HydrophobicContact CG-CG2 4.31Å; W801-T856 HydrophobicContact CH2-CG2 4Å; W801-T856 HydrophobicContact CZ2-CG2 3.98Å; W801-T856 VanDerWaalsContact CZ2-OG1 3.3Å; W801-T856 WeakPolarHBondContact CZ2-OG1 3.38Å; L852-T856 WeakPolarHBondContact O-CG2 3.43Å; L852-T856 PolarHBondContact O-N 3.19Å; L852-T856 PolarHBondContact O-OG1 3.36Å; M853-T856 PolarHBondContact O-N 3.06Å; M853-T856 PolarHBondContact O-OG1 2.75Å; V854-T856 VanDerWaalsContact C-N 3.32Å; V854-T856 PolarHBondContact O-N 2.94Å; T856-C858 VanDerWaalsContact C-N 3.31Å; T856-C858 PolarHBondContact O-N 2.96Å
857N82.5Confident90.8Very high104 Ų10430.7 Ų30.756%0.55615%0.151SC*.THydrogen-bonded Turntrans58.635-177.5-65.9-39.3000114.4M853 V854 L855M853-N857 PolarHBondContact O-N 2.99Å; V854-N857 PolarHBondContact O-N 3.47Å; L855-N857 PolarHBondContact O-N 3.11Å
858C85.2Confident90.7Very high7 Ų734.8 Ų34.85%0.04717%0.166CC..  trans-65.1142171.5-162.70000110.1M853 T856 K860 I863M853-C858 HydrophobicContact CB-CB 4.15Å; M853-C858 WeakPolarHBondContact O-CB 3.47Å; M853-C858 PolarHBondContact O-N 3.38Å; T856-C858 VanDerWaalsContact C-N 3.31Å; T856-C858 PolarHBondContact O-N 2.96Å; C858-K860 PolarHBondContact O-N 3.42Å; C858-I863 HydrophobicContact CB-CD1 3.99Å; C858-I863 HydrophobicContact CB-CG1 3.88Å; C858-I863 WeakPolarHBondContact O-CD1 3.26Å
859P87.8Confident90.5Very high76 Ų7640.4 Ų40.449%0.49419%0.187SC..  trans-57.6124.1-179.3-25.533.9000112.1R861 A862 I863P859-R861 PolarHBondContact O-N 3.38Å; P859-R861 VanDerWaalsContact O-N 3.09Å; P859-A862 HydrophobicContact CB-CB 4.2Å; P859-A862 WeakPolarHBondContact O-CA 3.49Å; P859-A862 WeakPolarHBondContact O-CB 3.44Å; P859-A862 PolarHBondContact O-N 3.39Å; P859-I863 PolarHBondContact O-N 3.4Å
860K89.6Confident90.3Very high79 Ų7940.4 Ų40.434%0.34319%0.187SC..Hα-helixtrans-53.4-37.9-172.5-61.2-172.7175.4-1630114C858 I863 A864 I891 S892 V894C858-K860 PolarHBondContact O-N 3.42Å; K860-I863 PolarHBondContact O-N 3.29Å; K860-A864 PolarHBondContact O-N 3.07Å; K860-I891 HydrophobicContact CB-CG2 4.4Å; K860-I891 WeakPolarHBondContact CD-O 3.28Å; K860-I891 PolarHBondContact NZ-O 3.13Å; K860-I891 VanDerWaalsContact NZ-O 3.14Å; K860-S892 VanDerWaalsContact NZ-C 3.28Å; K860-S892 PolarHBondContact NZ-O 3.21Å; K860-V894 WeakPolarHBondContact CE-O 3.27Å; K860-V894 PolarHBondContact NZ-O 3.35Å
861R90.8Very high90Very high197 Ų19741 Ų4174%0.74319%0.19SC*.Hα-helixtrans-64.4-40.6175.7-171.5175.2-179.6161.60.7112.1P859 A864 Q865P859-R861 PolarHBondContact O-N 3.38Å; P859-R861 VanDerWaalsContact O-N 3.09Å; R861-A864 PolarHBondContact O-N 2.95Å; R861-Q865 WeakPolarHBondContact O-CB 3.24Å; R861-Q865 WeakPolarHBondContact O-CG 3.4Å; R861-Q865 PolarHBondContact O-N 3.44Å
862A90Very high89.7Confident21 Ų2143.3 Ų43.317%0.17421%0.214CC..Hα-helixtrans-67.9-38.7177.100000111.6V798 P859 K866V798-A862 HydrophobicContact CG2-CB 4.21Å; P859-A862 HydrophobicContact CB-CB 4.2Å; P859-A862 WeakPolarHBondContact O-CA 3.49Å; P859-A862 WeakPolarHBondContact O-CB 3.44Å; P859-A862 PolarHBondContact O-N 3.39Å; A862-K866 WeakPolarHBondContact O-CB 3.45Å; A862-K866 PolarHBondContact O-N 2.98Å
863I92.5Very high89.3Confident0 Ų047.4 Ų47.40%023%0.232CC..Hα-helixtrans-59.1-55.3173.2-53.7175.7000109.8M853 V854 C858 P859 K860 Q865 K866 I867 I891M853-I863 HydrophobicContact CB-CD1 3.81Å; M853-I863 HydrophobicContact CB-CG1 3.91Å; M853-I863 HydrophobicContact CB-CG2 4.2Å; M853-I863 HydrophobicContact CE-CB 4.29Å; M853-I863 HydrophobicContact CE-CG1 3.96Å; M853-I863 HydrophobicContact CE-CG2 4.33Å; M853-I863 HydrophobicContact SD-CG1 4.48Å; M853-I863 HydrophobicContact SD-CG2 3.99Å; V854-I863 HydrophobicContact CG2-CD1 3.78Å; C858-I863 HydrophobicContact CB-CD1 3.99Å; C858-I863 HydrophobicContact CB-CG1 3.88Å; C858-I863 WeakPolarHBondContact O-CD1 3.26Å; P859-I863 PolarHBondContact O-N 3.4Å; K860-I863 PolarHBondContact O-N 3.29Å; I863-Q865 VanDerWaalsContact C-N 3.34Å; I863-Q865 PolarHBondContact O-N 2.99Å; I863-K866 PolarHBondContact O-N 2.93Å; I863-I867 HydrophobicContact CG2-CG1 3.94Å; I863-I867 WeakPolarHBondContact O-CG1 3.33Å; I863-I867 PolarHBondContact O-N 2.78Å; I863-I891 HydrophobicContact CB-CD1 3.71Å; I863-I891 HydrophobicContact CD1-CD1 4.03Å; I863-I891 HydrophobicContact CG1-CD1 4.47Å; I863-I891 HydrophobicContact CG2-CD1 3.48Å; I863-I891 VanDerWaalsContact CG2-CD1 3.48Å
864A93.7Very high89Confident11 Ų1147.4 Ų47.49%0.09123%0.232CC..Hα-helixtrans-59.5-42.6-177.200000112.5K860 R861 R868K860-A864 PolarHBondContact O-N 3.07Å; R861-A864 PolarHBondContact O-N 2.95Å; A864-R868 WeakPolarHBondContact O-CB 3.28Å; A864-R868 VanDerWaalsContact O-CG 3.3Å; A864-R868 WeakPolarHBondContact O-CG 3.35Å; A864-R868 PolarHBondContact O-N 3.28Å
865Q92.9Very high88.7Confident85 Ų8553.2 Ų53.240%0.39726%0.258SS..Hα-helixtrans-64.1-46.5175.8-76.4177-23.700112.2R861 I863 R869R861-Q865 WeakPolarHBondContact O-CB 3.24Å; R861-Q865 WeakPolarHBondContact O-CG 3.4Å; R861-Q865 PolarHBondContact O-N 3.44Å; I863-Q865 VanDerWaalsContact C-N 3.34Å; I863-Q865 PolarHBondContact O-N 2.99Å; Q865-R869 WeakPolarHBondContact O-CB 3.42Å; Q865-R869 VanDerWaalsContact O-CG 3.3Å; Q865-R869 WeakPolarHBondContact O-CG 3.27Å; Q865-R869 PolarHBondContact O-N 3.39Å; Q865-R869 VanDerWaalsContact O-N 3.08Å
866K92.7Very high88.7Confident26 Ų2653.8 Ų53.811%0.11326%0.261CS..Hα-helixtrans-70.1-45.4-176.9-175.865.576169.30112.4V798 E802 A862 I863 R868 R869 L870V798-K866 HydrophobicContact CG1-CB 3.46Å; V798-K866 VanDerWaalsContact CG1-CB 3.46Å; V798-K866 HydrophobicContact CG1-CD 3.98Å; V798-K866 HydrophobicContact CG1-CG 3.6Å; V798-K866 WeakPolarHBondContact O-CE 3.48Å; E802-K866 HydrophobicContact CB-CD 4.38Å; E802-K866 IonicContact OE2-NZ 2.77Å; E802-K866 PolarHBondContact OE2-NZ 3.17Å; A862-K866 WeakPolarHBondContact O-CB 3.45Å; A862-K866 PolarHBondContact O-N 2.98Å; I863-K866 PolarHBondContact O-N 2.93Å; K866-R868 PolarHBondContact O-N 2.89Å; K866-R869 PolarHBondContact O-N 3.16Å; K866-L870 HydrophobicContact CD-CG 4.39Å; K866-L870 HydrophobicContact CG-CD1 4.21Å; K866-L870 HydrophobicContact CG-CG 4.46Å; K866-L870 WeakPolarHBondContact O-CG 3.23Å; K866-L870 PolarHBondContact O-N 3.3Å
867I94.8Very high88.6Confident0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-64.3-41.5-179.9-59.1-66.1000110.5L846 L849 C850 M853 I863 R869 L870 L871 I884 L888L846-I867 HydrophobicContact CD2-CD1 4.45Å; L846-I867 HydrophobicContact CD2-CG2 4.4Å; L849-I867 HydrophobicContact CB-CD1 4.27Å; L849-I867 HydrophobicContact CD2-CD1 3.79Å; L849-I867 HydrophobicContact CG-CD1 4.43Å; C850-I867 HydrophobicContact CB-CG1 4.42Å; M853-I867 HydrophobicContact SD-CD1 4.05Å; M853-I867 HydrophobicContact SD-CG1 4.42Å; I863-I867 HydrophobicContact CG2-CG1 3.94Å; I863-I867 WeakPolarHBondContact O-CG1 3.33Å; I863-I867 PolarHBondContact O-N 2.78Å; I867-R869 VanDerWaalsContact C-N 3.34Å; I867-R869 PolarHBondContact O-N 2.98Å; I867-L870 PolarHBondContact O-N 2.96Å; I867-L871 VanDerWaalsContact O-CB 3.32Å; I867-L871 WeakPolarHBondContact O-CB 3.46Å; I867-L871 PolarHBondContact O-N 3.32Å; I867-I884 HydrophobicContact CG2-CG2 3.81Å; I867-L888 HydrophobicContact CB-CD1 3.91Å; I867-L888 HydrophobicContact CB-CD2 3.97Å; I867-L888 HydrophobicContact CG1-CD2 4.31Å; I867-L888 HydrophobicContact CG2-CD1 3.74Å; I867-L888 HydrophobicContact CG2-CD2 4.07Å; I867-L888 HydrophobicContact CG2-CG 4.31Å
868R93.8Very high88.8Confident99 Ų9955.3 Ų55.337%0.37427%0.274SS..Hα-helixtrans-62.6-39.3174.2-71.6-169.9-171.7109.6-3.1112.4A864 K866 L871 G872 L888 D889A864-R868 WeakPolarHBondContact O-CB 3.28Å; A864-R868 VanDerWaalsContact O-CG 3.3Å; A864-R868 WeakPolarHBondContact O-CG 3.35Å; A864-R868 PolarHBondContact O-N 3.28Å; K866-R868 PolarHBondContact O-N 2.89Å; R868-L871 PolarHBondContact O-N 3.31Å; R868-G872 PolarHBondContact O-N 3.02Å; R868-L888 HydrophobicContact CG-CD1 3.52Å; R868-D889 IonicContact CZ-OD1 2.95Å; R868-D889 IonicContact NH2-OD1 3.41Å; R868-D889 PolarHBondContact NH2-OD1 3.44Å
869R89.8Confident88.8Confident119 Ų11961.1 Ų61.145%0.44930%0.304SS..Hα-helixtrans-63.2-44.2174.5-76.7177.9178.7174.65111.9E539 Q865 K866 I867 G872 K873E539-R869 IonicContact OE1-CZ 2.72Å; E539-R869 VanDerWaalsContact OE1-CZ 3.27Å; E539-R869 IonicContact OE1-NE 3.71Å; E539-R869 PolarHBondContact OE1-NE 3.26Å; E539-R869 IonicContact OE1-NH2 3.46Å; E539-R869 PolarHBondContact OE1-NH2 2.91Å; E539-R869 IonicContact OE2-NH2 2.69Å; E539-R869 PolarHBondContact OE2-NH2 3.36Å; Q865-R869 WeakPolarHBondContact O-CB 3.42Å; Q865-R869 VanDerWaalsContact O-CG 3.3Å; Q865-R869 WeakPolarHBondContact O-CG 3.27Å; Q865-R869 PolarHBondContact O-N 3.39Å; Q865-R869 VanDerWaalsContact O-N 3.08Å; K866-R869 PolarHBondContact O-N 3.16Å; I867-R869 VanDerWaalsContact C-N 3.34Å; I867-R869 PolarHBondContact O-N 2.98Å; R869-G872 PolarHBondContact O-N 2.8Å; R869-K873 WeakPolarHBondContact O-CG 3.33Å; R869-K873 PolarHBondContact O-N 3.34Å
870L90.7Very high88.9Confident0 Ų059.4 Ų59.40%029%0.288CS..Hα-helixtrans-65.1-39.4176-69.5175000111.9E802 F805 Y806 L846 L849 K866 I867 K873 T874E802-L870 HydrophobicContact CG-CD2 4.06Å; F805-L870 HydrophobicContact CB-CD1 4.13Å; F805-L870 HydrophobicContact CD1-CD1 4.23Å; F805-L870 HydrophobicContact CD1-CD2 3.97Å; F805-L870 HydrophobicContact CE1-CD2 4.4Å; F805-L870 HydrophobicContact CG-CD1 4.03Å; Y806-L870 HydrophobicContact CE1-CD2 4.4Å; L846-L870 HydrophobicContact CD2-CB 3.79Å; L846-L870 HydrophobicContact CD2-CD1 4.18Å; L849-L870 HydrophobicContact CD2-CD1 4.2Å; K866-L870 HydrophobicContact CD-CG 4.39Å; K866-L870 HydrophobicContact CG-CD1 4.21Å; K866-L870 HydrophobicContact CG-CG 4.46Å; K866-L870 WeakPolarHBondContact O-CG 3.23Å; K866-L870 PolarHBondContact O-N 3.3Å; I867-L870 PolarHBondContact O-N 2.96Å; L870-K873 PolarHBondContact O-N 3.16Å; L870-T874 WeakPolarHBondContact O-CB 3.04Å; L870-T874 VanDerWaalsContact O-CG2 3.25Å; L870-T874 WeakPolarHBondContact O-CG2 3.33Å; L870-T874 PolarHBondContact O-N 3.24Å; L870-T874 PolarHBondContact O-OG1 3.2Å
871L90.3Very high89Confident14 Ų1456.6 Ų56.67%0.07328%0.278CS..Hα-helixtrans-60-45.1174.4-176.164.9000111.5L846 I867 R868 T874 H875 I876 I884L846-L871 HydrophobicContact CD1-CB 4.31Å; L846-L871 HydrophobicContact CD1-CD1 3.97Å; I867-L871 VanDerWaalsContact O-CB 3.32Å; I867-L871 WeakPolarHBondContact O-CB 3.46Å; I867-L871 PolarHBondContact O-N 3.32Å; R868-L871 PolarHBondContact O-N 3.31Å; L871-T874 WeakPolarHBondContact CA-OG1 3.47Å; L871-T874 PolarHBondContact O-N 3.44Å; L871-T874 PolarHBondContact O-OG1 3.24Å; L871-H875 PolarHBondContact O-N 2.77Å; L871-I876 HydrophobicContact CD1-CB 4.02Å; L871-I876 HydrophobicContact CD1-CD1 3.76Å; L871-I876 HydrophobicContact CD1-CG1 4.23Å; L871-I884 HydrophobicContact CD2-CB 4.34Å; L871-I884 HydrophobicContact CD2-CG2 4.26Å
872G84.9Confident89.1Confident49 Ų4952.7 Ų52.751%0.50527%0.268SS..Hα-helixtrans-63.3-43.2175.300000112.9R868 R869 T874 H875R868-G872 PolarHBondContact O-N 3.02Å; R869-G872 PolarHBondContact O-N 2.8Å; G872-T874 VanDerWaalsContact C-N 3.3Å; G872-T874 PolarHBondContact O-N 3.24Å; G872-H875 PolarHBondContact O-N 3.2Å
873K82.5Confident89.2Confident87 Ų8754.8 Ų54.838%0.37828%0.275SS..Hα-helixtrans-65.4-30.3177.8-75.3-179.4-178.6-1740113.5M388 E802 R869 L870 H875M388-K873 HydrophobicContact CE-CB 3.88Å; M388-K873 HydrophobicContact CE-CD 4.39Å; M388-K873 HydrophobicContact CE-CG 4.49Å; M388-K873 HydrophobicContact SD-CB 3.9Å; M388-K873 HydrophobicContact SD-CD 4.12Å; E802-K873 IonicContact OE1-NZ 3.22Å; E802-K873 PolarHBondContact OE1-NZ 3.47Å; R869-K873 WeakPolarHBondContact O-CG 3.33Å; R869-K873 PolarHBondContact O-N 3.34Å; L870-K873 PolarHBondContact O-N 3.16Å; K873-H875 PolarHBondContact O-CD2 2.87Å
874T84.5Confident89.3Confident0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-88.2-8.8-17647.80000113.2M388 R389 F805 L842 L870 L871 G872 I876M388-T874 HydrophobicContact CB-CG2 4.39Å; R389-T874 WeakPolarHBondContact CD-O 3.5Å; R389-T874 PolarHBondContact NH1-O 2.91Å; F805-T874 HydrophobicContact CE1-CG2 3.82Å; F805-T874 HydrophobicContact CZ-CG2 3.65Å; L842-T874 HydrophobicContact CD2-CG2 4.27Å; L870-T874 WeakPolarHBondContact O-CB 3.04Å; L870-T874 VanDerWaalsContact O-CG2 3.25Å; L870-T874 WeakPolarHBondContact O-CG2 3.33Å; L870-T874 PolarHBondContact O-N 3.24Å; L870-T874 PolarHBondContact O-OG1 3.2Å; L871-T874 WeakPolarHBondContact CA-OG1 3.47Å; L871-T874 PolarHBondContact O-N 3.44Å; L871-T874 PolarHBondContact O-OG1 3.24Å; G872-T874 VanDerWaalsContact C-N 3.3Å; G872-T874 PolarHBondContact O-N 3.24Å; T874-I876 PolarHBondContact O-N 2.9Å; T874-I876 VanDerWaalsContact O-N 3.11Å; T874-I876 WeakPolarHBondContact OG1-CG1 3.37Å
875H82.3Confident89.3Confident130 Ų13056.6 Ų56.660%0.60228%0.283SS*.THydrogen-bonded Turntrans51.734.2178-63.2-85.6000114R389 L871 G872 K873R389-H875 VanDerWaalsContact NH1-C 3.26Å; R389-H875 PolarHBondContact NH1-O 3.42Å; L871-H875 PolarHBondContact O-N 2.77Å; G872-H875 PolarHBondContact O-N 3.2Å; K873-H875 PolarHBondContact O-CD2 2.87Å
876I86.3Confident89.3Confident14 Ų1455 Ų557%0.07228%0.284CS..  trans-58139.7179.2-61.9179.2000110.1D839 L842 L846 L871 T874D839-I876 HydrophobicContact CB-CG2 4.26Å; L842-I876 HydrophobicContact CB-CD1 3.47Å; L842-I876 VanDerWaalsContact CB-CD1 3.47Å; L842-I876 HydrophobicContact CB-CG1 3.91Å; L842-I876 HydrophobicContact CD1-CG1 4.16Å; L846-I876 HydrophobicContact CD1-CD1 3.61Å; L871-I876 HydrophobicContact CD1-CB 4.02Å; L871-I876 HydrophobicContact CD1-CD1 3.76Å; L871-I876 HydrophobicContact CD1-CG1 4.23Å; T874-I876 PolarHBondContact O-N 2.9Å; T874-I876 VanDerWaalsContact O-N 3.11Å; T874-I876 WeakPolarHBondContact OG1-CG1 3.37Å
877G83.5Confident89.3Confident25 Ų2555.2 Ų55.226%0.25829%0.286SS..  trans-55.1154.6176.500000113.4D839 L879 Y880 S881D839-G877 PolarHBondContact OD1-N 3.2Å; D839-G877 VanDerWaalsContact OD2-CA 3.29Å; D839-G877 WeakPolarHBondContact OD2-CA 2.94Å; D839-G877 PolarHBondContact OD2-N 3.33Å; G877-L879 VanDerWaalsContact C-N 3.3Å; G877-L879 PolarHBondContact O-N 3.01Å; G877-Y880 PolarHBondContact O-N 2.97Å; G877-S881 WeakPolarHBondContact O-CB 3.28Å; G877-S881 PolarHBondContact O-N 3.21Å
878L86.2Confident89.3Confident123 Ų12355.4 Ų55.464%0.64429%0.287SS*.Hα-helixtrans-52.2-45.9-170.5-176.466.6000113Y880 S881 Q882L878-Y880 PolarHBondContact O-N 3.4Å; L878-S881 WeakPolarHBondContact CA-OG 3.25Å; L878-S881 PolarHBondContact O-N 2.98Å; L878-S881 PolarHBondContact O-OG 2.84Å; L878-Q882 HydrophobicContact CD1-CG 4.27Å; L878-Q882 HydrophobicContact CG-CG 4.42Å; L878-Q882 WeakPolarHBondContact O-CG 3.35Å; L878-Q882 PolarHBondContact O-N 2.95Å
879L86Confident89.2Confident128 Ų12855.5 Ų55.567%0.6730%0.295SS*.Hα-helixtrans-56.8-51.2-175.3-175.1136.6000112.2G877G877-L879 VanDerWaalsContact C-N 3.3Å; G877-L879 PolarHBondContact O-N 3.01Å
880Y90Very high89.3Confident40 Ų4054 Ų5416%0.15730%0.296CS..Hα-helixtrans-74.7-31.2178.2-68.1-69.3000112.6L836 D839 K840 A843 G877 L878 Q882 E883 I884L836-Y880 HydrophobicContact CD2-CE2 4.35Å; D839-Y880 HydrophobicContact CB-CD2 3.6Å; D839-Y880 HydrophobicContact CB-CE2 3.89Å; K840-Y880 HydrophobicContact CB-CE1 4.25Å; K840-Y880 HydrophobicContact CB-CE2 4.36Å; K840-Y880 HydrophobicContact CG-CE1 4.27Å; A843-Y880 HydrophobicContact CB-CD1 3.93Å; A843-Y880 HydrophobicContact CB-CG 4.05Å; G877-Y880 PolarHBondContact O-N 2.97Å; L878-Y880 PolarHBondContact O-N 3.4Å; Y880-Q882 VanDerWaalsContact C-N 3.31Å; Y880-Q882 PolarHBondContact O-N 3.46Å; Y880-E883 WeakPolarHBondContact O-CB 3.5Å; Y880-E883 PolarHBondContact O-N 3.04Å; Y880-I884 PolarHBondContact O-N 3.19Å
881S90.7Very high89.3Confident21 Ų2154.6 Ų54.615%0.14730%0.299CS..Hα-helixtrans-63.6-36.317684.10000112.6G877 L878 I884 N885G877-S881 WeakPolarHBondContact O-CB 3.28Å; G877-S881 PolarHBondContact O-N 3.21Å; L878-S881 WeakPolarHBondContact CA-OG 3.25Å; L878-S881 PolarHBondContact O-N 2.98Å; L878-S881 PolarHBondContact O-OG 2.84Å; S881-I884 PolarHBondContact O-N 3.24Å; S881-N885 PolarHBondContact O-N 3.39Å; S881-N885 PolarHBondContact O-ND2 3.16Å
882Q92.7Very high89.1Confident114 Ų11457.8 Ų57.853%0.53332%0.323SS..Hα-helixtrans-66.8-40.5177.5-75.6176.4-11.300111.1L878 Y880 I884 N885 A886L878-Q882 HydrophobicContact CD1-CG 4.27Å; L878-Q882 HydrophobicContact CG-CG 4.42Å; L878-Q882 WeakPolarHBondContact O-CG 3.35Å; L878-Q882 PolarHBondContact O-N 2.95Å; Y880-Q882 VanDerWaalsContact C-N 3.31Å; Y880-Q882 PolarHBondContact O-N 3.46Å; Q882-I884 PolarHBondContact O-N 3.4Å; Q882-N885 PolarHBondContact O-N 3.34Å; Q882-A886 WeakPolarHBondContact O-CB 3.43Å; Q882-A886 PolarHBondContact O-N 3.05Å
883E91.9Very high89.2Confident66 Ų6662 Ų6231%0.30833%0.333SS..Hα-helixtrans-58.7-47.8176.3-167.4-172.2174.300111.7Y880 A886 L887 K902Y880-E883 WeakPolarHBondContact O-CB 3.5Å; Y880-E883 PolarHBondContact O-N 3.04Å; E883-A886 PolarHBondContact O-N 3.23Å; E883-L887 PolarHBondContact O-N 3.47Å; E883-L887 VanDerWaalsContact O-N 3.16Å; E883-K902 VanDerWaalsContact CD-NZ 3.29Å; E883-K902 VanDerWaalsContact OE1-CE 3.26Å; E883-K902 WeakPolarHBondContact OE1-CE 3.39Å; E883-K902 IonicContact OE1-NZ 3.58Å; E883-K902 PolarHBondContact OE1-NZ 3.49Å; E883-K902 IonicContact OE2-NZ 2.77Å; E883-K902 PolarHBondContact OE2-NZ 3.01Å
884I94.6Very high89.3Confident2 Ų259.3 Ų59.31%0.0132%0.323CS..Hα-helixtrans-66.3-42.5178.8-59.7-59.8000111.4A843 L846 H847 I867 L871 Y880 S881 Q882 A886 L887 L888A843-I884 WeakPolarHBondContact O-CD1 3.46Å; L846-I884 HydrophobicContact CB-CD1 4.24Å; H847-I884 HydrophobicContact CB-CD1 3.86Å; I867-I884 HydrophobicContact CG2-CG2 3.81Å; L871-I884 HydrophobicContact CD2-CB 4.34Å; L871-I884 HydrophobicContact CD2-CG2 4.26Å; Y880-I884 PolarHBondContact O-N 3.19Å; S881-I884 PolarHBondContact O-N 3.24Å; Q882-I884 PolarHBondContact O-N 3.4Å; I884-A886 VanDerWaalsContact C-N 3.35Å; I884-A886 PolarHBondContact O-N 2.85Å; I884-L887 WeakPolarHBondContact O-CB 3.45Å; I884-L887 PolarHBondContact O-N 2.92Å; I884-L888 HydrophobicContact CG2-CD1 4.22Å; I884-L888 HydrophobicContact CG2-CG 4.43Å; I884-L888 WeakPolarHBondContact O-CG 3.4Å; I884-L888 PolarHBondContact O-N 3.06Å
885N93.7Very high89.1Confident47 Ų4763.5 Ų63.525%0.25135%0.353SS..Hα-helixtrans-62.8-41.5177.4-78.4-55000112S881 Q882 L887 L888 D889S881-N885 PolarHBondContact O-N 3.39Å; S881-N885 PolarHBondContact O-ND2 3.16Å; Q882-N885 PolarHBondContact O-N 3.34Å; N885-L887 VanDerWaalsContact C-N 3.28Å; N885-L887 PolarHBondContact O-N 3Å; N885-L888 PolarHBondContact O-N 3.25Å; N885-L888 VanDerWaalsContact O-N 3.08Å; N885-D889 PolarHBondContact O-N 3.41Å
886A93.5Very high88.8Confident50 Ų5058.3 Ų58.341%0.41334%0.335SS..Hα-helixtrans-60.8-36.2176.100000112.7Q882 E883 I884 N890Q882-A886 WeakPolarHBondContact O-CB 3.43Å; Q882-A886 PolarHBondContact O-N 3.05Å; E883-A886 PolarHBondContact O-N 3.23Å; I884-A886 VanDerWaalsContact C-N 3.35Å; I884-A886 PolarHBondContact O-N 2.85Å; A886-N890 PolarHBondContact O-ND2 3.42Å
887L93.6Very high88.4Confident32 Ų3261 Ų6117%0.16835%0.349CS..Hα-helixtrans-64.3-46.4171.8179.467.9000111.6C850 E883 I884 N885 D889 N890 I891 I899C850-L887 HydrophobicContact CB-CD2 4.01Å; E883-L887 PolarHBondContact O-N 3.47Å; E883-L887 VanDerWaalsContact O-N 3.16Å; I884-L887 WeakPolarHBondContact O-CB 3.45Å; I884-L887 PolarHBondContact O-N 2.92Å; N885-L887 VanDerWaalsContact C-N 3.28Å; N885-L887 PolarHBondContact O-N 3Å; L887-D889 VanDerWaalsContact C-N 3.34Å; L887-D889 PolarHBondContact O-N 3.3Å; L887-N890 PolarHBondContact O-N 3.26Å; L887-I891 PolarHBondContact O-N 3.4Å; L887-I899 HydrophobicContact CD1-CD1 4.04Å; L887-I899 HydrophobicContact CD1-CG1 4.34Å; L887-I899 HydrophobicContact CD1-CG2 4.06Å; L887-I899 HydrophobicContact CD2-CG2 4.49Å
888L93.1Very high88.2Confident3 Ų361.5 Ų61.52%0.01635%0.354CS..Hα-helixtrans-67.7-32.7-177.4-67.3179.5000113.2I867 R868 I884 N885 N890 I891I867-L888 HydrophobicContact CB-CD1 3.91Å; I867-L888 HydrophobicContact CB-CD2 3.97Å; I867-L888 HydrophobicContact CG1-CD2 4.31Å; I867-L888 HydrophobicContact CG2-CD1 3.74Å; I867-L888 HydrophobicContact CG2-CD2 4.07Å; I867-L888 HydrophobicContact CG2-CG 4.31Å; R868-L888 HydrophobicContact CG-CD1 3.52Å; I884-L888 HydrophobicContact CG2-CD1 4.22Å; I884-L888 HydrophobicContact CG2-CG 4.43Å; I884-L888 WeakPolarHBondContact O-CG 3.4Å; I884-L888 PolarHBondContact O-N 3.06Å; N885-L888 PolarHBondContact O-N 3.25Å; N885-L888 VanDerWaalsContact O-N 3.08Å; L888-N890 PolarHBondContact O-N 3.43Å; L888-I891 HydrophobicContact CD2-CD1 4.32Å; L888-I891 WeakPolarHBondContact O-CB 3.41Å; L888-I891 WeakPolarHBondContact O-CG2 3.29Å; L888-I891 PolarHBondContact O-N 2.66Å
889D92.6Very high88.3Confident102 Ų10256.1 Ų56.155%0.54533%0.326SS..Hα-helixtrans-67-28.1177.1-65.7-17.7000111.5R868 N885 L887R868-D889 IonicContact CZ-OD1 2.95Å; R868-D889 IonicContact NH2-OD1 3.41Å; R868-D889 PolarHBondContact NH2-OD1 3.44Å; N885-D889 PolarHBondContact O-N 3.41Å; L887-D889 VanDerWaalsContact C-N 3.34Å; L887-D889 PolarHBondContact O-N 3.3Å
890N91Very high88.4Confident88 Ų8855.7 Ų55.747%0.47132%0.315SS..THydrogen-bonded Turntrans-97.45.8178.7-67.9-61.8000114.3A886 L887 L888 S892 L893A886-N890 PolarHBondContact O-ND2 3.42Å; L887-N890 PolarHBondContact O-N 3.26Å; L888-N890 PolarHBondContact O-N 3.43Å; N890-S892 PolarHBondContact O-N 3.45Å; N890-S892 VanDerWaalsContact O-N 3.12Å; N890-L893 WeakPolarHBondContact O-CB 3.38Å; N890-L893 PolarHBondContact O-N 2.78Å
891I90.6Very high88.4Confident12 Ų1254 Ų546%0.06231%0.309CS..G310 helixtrans-61.3-26.9-173.7-159.4170000113.6V854 K860 I863 L887 L888 L893 V894V854-I891 HydrophobicContact CG2-CD1 4.09Å; V854-I891 HydrophobicContact CG2-CG1 4Å; K860-I891 HydrophobicContact CB-CG2 4.4Å; K860-I891 WeakPolarHBondContact CD-O 3.28Å; K860-I891 PolarHBondContact NZ-O 3.13Å; K860-I891 VanDerWaalsContact NZ-O 3.14Å; I863-I891 HydrophobicContact CB-CD1 3.71Å; I863-I891 HydrophobicContact CD1-CD1 4.03Å; I863-I891 HydrophobicContact CG1-CD1 4.47Å; I863-I891 HydrophobicContact CG2-CD1 3.48Å; I863-I891 VanDerWaalsContact CG2-CD1 3.48Å; L887-I891 PolarHBondContact O-N 3.4Å; L888-I891 HydrophobicContact CD2-CD1 4.32Å; L888-I891 WeakPolarHBondContact O-CB 3.41Å; L888-I891 WeakPolarHBondContact O-CG2 3.29Å; L888-I891 PolarHBondContact O-N 2.66Å; I891-L893 PolarHBondContact O-N 2.83Å; I891-V894 PolarHBondContact O-N 3.24Å
892S87.3Confident88.4Confident81 Ų8153.1 Ų53.157%0.56630%0.303SS*.G310 helixtrans-62.1-26.717657.20000112.8K860 N890K860-S892 VanDerWaalsContact NZ-C 3.28Å; K860-S892 PolarHBondContact NZ-O 3.21Å; N890-S892 PolarHBondContact O-N 3.45Å; N890-S892 VanDerWaalsContact O-N 3.12Å
893L86.6Confident88Confident137 Ų13748.7 Ų48.772%0.71728%0.284SS*.G310 helixtrans-88-11.6-176.5-58.7174.2000113.7N890 I891N890-L893 WeakPolarHBondContact O-CB 3.38Å; N890-L893 PolarHBondContact O-N 2.78Å; I891-L893 PolarHBondContact O-N 2.83Å
894V84.3Confident87.4Confident30 Ų3045.6 Ų45.618%0.18227%0.269CS..  trans-109.5146.4-173.3-153.50000111.4K860 I891 G898 I899K860-V894 WeakPolarHBondContact CE-O 3.27Å; K860-V894 PolarHBondContact NZ-O 3.35Å; I891-V894 PolarHBondContact O-N 3.24Å; V894-G898 VanDerWaalsContact CG1-C 3.4Å; V894-I899 HydrophobicContact CB-CG1 4.17Å; V894-I899 HydrophobicContact CG1-CD1 4.42Å; V894-I899 HydrophobicContact CG1-CG1 3.6Å; V894-I899 HydrophobicContact CG2-CG1 4.38Å
895S81.1Confident86.1Confident88 Ų8845.9 Ų45.962%0.61527%0.273SS*.  trans-149.9155.9176.261.60000110.9N897 G898S895-N897 PolarHBondContact O-N 2.89Å; S895-G898 PolarHBondContact O-N 2.78Å
896G75.3Confident84.9Confident22 Ų2245.1 Ų45.123%0.22727%0.266CS..THydrogen-bonded Turntrans59.2-130.6-179.300000112.4G898G896-G898 VanDerWaalsContact C-N 3.26Å; G896-G898 PolarHBondContact O-N 3Å
897N78.9Confident83.3Confident70 Ų7045.2 Ų45.237%0.37426%0.258SS..THydrogen-bonded Turntrans-89.628.6177.864.1-25.8000113.3H743 L855 S895 I899H743-N897 VanDerWaalsContact NE2-CA 3.31Å; H743-N897 WeakPolarHBondContact NE2-CA 3.3Å; H743-N897 WeakPolarHBondContact NE2-CB 3.34Å; L855-N897 HydrophobicContact CD1-CB 4.14Å; S895-N897 PolarHBondContact O-N 2.89Å; N897-I899 VanDerWaalsContact C-N 3.26Å; N897-I899 PolarHBondContact O-N 3.41Å
898G78.3Confident81.5Confident35 Ų3548.2 Ų48.236%0.36127%0.271SS..  trans-72.5-11.3-174.800000115.5V894 S895 G896V894-G898 VanDerWaalsContact CG1-C 3.4Å; S895-G898 PolarHBondContact O-N 2.78Å; G896-G898 VanDerWaalsContact C-N 3.26Å; G896-G898 PolarHBondContact O-N 3Å
899I87.9Confident79.6Confident11 Ų1149.6 Ų49.66%0.05628%0.278CS..SBendtrans-103.5117.7175-54.9175.6000107.4H743 A851 V854 L887 V894 N897 L901H743-I899 PolarHBondContact CE1-O 3.05Å; H743-I899 PolarHBondContact NE2-O 3.21Å; A851-I899 HydrophobicContact CB-CB 3.75Å; A851-I899 HydrophobicContact CB-CG2 3.73Å; V854-I899 HydrophobicContact CB-CD1 4.38Å; V854-I899 HydrophobicContact CG2-CD1 3.99Å; L887-I899 HydrophobicContact CD1-CD1 4.04Å; L887-I899 HydrophobicContact CD1-CG1 4.34Å; L887-I899 HydrophobicContact CD1-CG2 4.06Å; L887-I899 HydrophobicContact CD2-CG2 4.49Å; V894-I899 HydrophobicContact CB-CG1 4.17Å; V894-I899 HydrophobicContact CG1-CD1 4.42Å; V894-I899 HydrophobicContact CG1-CG1 3.6Å; V894-I899 HydrophobicContact CG2-CG1 4.38Å; N897-I899 VanDerWaalsContact C-N 3.26Å; N897-I899 PolarHBondContact O-N 3.41Å; I899-L901 PolarHBondContact O-N 2.95Å
900R88.8Confident77.7Confident118 Ų11852.9 Ų52.945%0.44529%0.288SS..PPolyproline II helixtrans-65.6136.2176.2-67.4-172.473.5-1672.2110.2Y695 H847Y695-R900 VanDerWaalsContact CB-CZ 3.45Å; Y695-R900 HydrophobicContact CD1-CB 3.56Å; Y695-R900 HydrophobicContact CE1-CB 4.09Å; Y695-R900 HydrophobicContact CG-CB 4.12Å; H847-R900 PolarHBondContact NE2-O 3.47Å
901L90Very high76.3Confident4 Ų451 Ų512%0.02128%0.276CS..PPolyproline II helixtrans-74.7134.5174.4-64.3176.5000109.9Y695 V696 E740 H743 T744 N848 A851 L852 I899Y695-L901 CarbonylContact C-O 3.58Å; Y695-L901 VanDerWaalsContact CA-O 3.25Å; Y695-L901 WeakPolarHBondContact CA-O 3.47Å; V696-L901 HydrophobicContact CB-CB 4.32Å; V696-L901 HydrophobicContact CG2-CB 3.97Å; V696-L901 PolarHBondContact N-O 2.92Å; E740-L901 HydrophobicContact CB-CD1 4Å; E740-L901 HydrophobicContact CG-CD1 3.82Å; H743-L901 HydrophobicContact CB-CD1 3.74Å; T744-L901 HydrophobicContact CG2-CD1 4.3Å; N848-L901 HydrophobicContact CB-CD2 4.2Å; N848-L901 WeakPolarHBondContact OD1-CA 3.41Å; A851-L901 HydrophobicContact CB-CD2 3.55Å; L852-L901 HydrophobicContact CD2-CD1 4.36Å; L852-L901 HydrophobicContact CD2-CD2 4.09Å; L852-L901 HydrophobicContact CG-CD2 4.36Å; I899-L901 PolarHBondContact O-N 2.95Å
902K90.4Very high75.5Confident4 Ų453.3 Ų53.32%0.01729%0.286CS..BIsolated β-bridgetrans-78.6149.2168.4-71.6-170-179.3-153.80109.9E694 Y695 T844 H847 N848 E883 C904E694-K902 HydrophobicContact CG-CD 4.49Å; E694-K902 HydrophobicContact CG-CG 4.49Å; E694-K902 WeakPolarHBondContact O-CA 3.49Å; E694-K902 VanDerWaalsContact OE1-CE 3.28Å; E694-K902 WeakPolarHBondContact OE1-CE 3.3Å; E694-K902 IonicContact OE1-NZ 3.88Å; E694-K902 PolarHBondContact OE1-NZ 3.37Å; Y695-K902 HydrophobicContact CD1-CG 4.15Å; Y695-K902 HydrophobicContact CE1-CG 3.93Å; T844-K902 HydrophobicContact CG2-CB 3.83Å; H847-K902 HydrophobicContact CB-CD 4.43Å; N848-K902 PolarHBondContact ND2-O 3.38Å; N848-K902 PolarHBondContact OD1-N 3.33Å; E883-K902 VanDerWaalsContact CD-NZ 3.29Å; E883-K902 VanDerWaalsContact OE1-CE 3.26Å; E883-K902 WeakPolarHBondContact OE1-CE 3.39Å; E883-K902 IonicContact OE1-NZ 3.58Å; E883-K902 PolarHBondContact OE1-NZ 3.49Å; E883-K902 IonicContact OE2-NZ 2.77Å; E883-K902 PolarHBondContact OE2-NZ 3.01Å; K902-C904 PolarHBondContact O-N 2.91Å
903V83.6Confident75.2Confident21 Ų2152.4 Ų52.413%0.12728%0.28CS..PPolyproline II helixtrans-72.3121.5-179.3-173.10000110.6E694 Y695 V696 Q907 Q908E694-V903 PolarHBondContact O-N 3.06Å; Y695-V903 VanDerWaalsContact C-CG2 3.49Å; V696-V903 HydrophobicContact CG2-CG2 4.1Å; V903-Q907 HydrophobicContact CG1-CB 3.61Å; V903-Q907 HydrophobicContact CG1-CG 4.47Å; V903-Q908 HydrophobicContact CB-CG 4.34Å; V903-Q908 HydrophobicContact CG1-CG 3.48Å; V903-Q908 VanDerWaalsContact CG1-CG 3.48Å
904C80.2Confident75.3Confident1 Ų146.7 Ų46.71%0.00725%0.249CC..PPolyproline II helixtrans-78.5160.7173.4-64.70000112.3N848 K902 Y906 Q907 Q908N848-C904 PolarHBondContact ND2-SG 3.02Å; K902-C904 PolarHBondContact O-N 2.91Å; C904-Y906 VanDerWaalsContact C-N 3.28Å; C904-Y906 HydrophobicContact CB-CD1 3.76Å; C904-Y906 HydrophobicContact CB-CD2 4.48Å; C904-Y906 HydrophobicContact CB-CE1 3.36Å; C904-Y906 HydrophobicContact CB-CE2 4.17Å; C904-Y906 HydrophobicContact CB-CG 4.24Å; C904-Y906 PolarHBondContact O-N 3.47Å; C904-Q907 PolarHBondContact O-N 2.99Å; C904-Q908 PolarHBondContact O-N 3.46Å
905G67.6Low75.6Confident8 Ų848.3 Ų48.38%0.08226%0.259CS..Hα-helixtrans-55.4-38177.400000113.3E812 Q907 Q908 L909E812-G905 VanDerWaalsContact OE2-CA 3.27Å; E812-G905 WeakPolarHBondContact OE2-CA 3.13Å; E812-G905 PolarHBondContact OE2-N 2.98Å; G905-Q907 PolarHBondContact O-N 3.36Å; G905-Q907 VanDerWaalsContact O-N 3.16Å; G905-Q908 PolarHBondContact O-N 2.99Å; G905-L909 WeakPolarHBondContact O-CB 3.48Å; G905-L909 PolarHBondContact O-N 3.13Å
906Y68.1Low76.1Confident31 Ų3144.1 Ų44.112%0.12223%0.23CC..Hα-helixtrans-60.5-22.2174.563.9-112.6000114.9M736 Q737 E740 E812 C904M736-Y906 HydrophobicContact CB-CE1 4.45Å; Q737-Y906 HydrophobicContact CG-CD1 4.33Å; Q737-Y906 HydrophobicContact CG-CD2 4.07Å; Q737-Y906 HydrophobicContact CG-CE1 3.91Å; Q737-Y906 HydrophobicContact CG-CE2 3.58Å; Q737-Y906 HydrophobicContact CG-CG 4.47Å; Q737-Y906 VanDerWaalsContact NE2-CG 3.3Å; E740-Y906 PolarHBondContact OE2-OH 3.37Å; E812-Y906 WeakPolarHBondContact OE1-CD1 3.32Å; E812-Y906 PolarHBondContact OE1-N 3.48Å; E812-Y906 VanDerWaalsContact OE1-N 3.13Å; C904-Y906 VanDerWaalsContact C-N 3.28Å; C904-Y906 HydrophobicContact CB-CD1 3.76Å; C904-Y906 HydrophobicContact CB-CD2 4.48Å; C904-Y906 HydrophobicContact CB-CE1 3.36Å; C904-Y906 HydrophobicContact CB-CE2 4.17Å; C904-Y906 HydrophobicContact CB-CG 4.24Å; C904-Y906 PolarHBondContact O-N 3.47Å
907Q60.8Low76.8Confident52 Ų5245.1 Ų45.124%0.24323%0.229CC..Hα-helixtrans-90.2-34.4175.7-69.9-155.5-21.100112.7H682 E740 V903 C904 G905H682-Q907 PolarHBondContact NE2-NE2 3.36Å; E740-Q907 PolarHBondContact OE1-NE2 3.44Å; V903-Q907 HydrophobicContact CG1-CB 3.61Å; V903-Q907 HydrophobicContact CG1-CG 4.47Å; C904-Q907 PolarHBondContact O-N 2.99Å; G905-Q907 PolarHBondContact O-N 3.36Å; G905-Q907 VanDerWaalsContact O-N 3.16Å
908Q55.5Low77Confident94 Ų9444.1 Ų44.144%0.43923%0.225SC..Hα-helixtrans-78.6-38.9-177.4-74.5175.8-0.500112.4V903 C904 G905 K910V903-Q908 HydrophobicContact CB-CG 4.34Å; V903-Q908 HydrophobicContact CG1-CG 3.48Å; V903-Q908 VanDerWaalsContact CG1-CG 3.48Å; C904-Q908 PolarHBondContact O-N 3.46Å; G905-Q908 PolarHBondContact O-N 2.99Å; Q908-K910 PolarHBondContact O-N 3.11Å; Q908-K910 VanDerWaalsContact O-N 3.15Å
909L52.3Low76.7Confident32 Ų3244 Ų4417%0.16822%0.223CC..  trans-86.691.1-172.3-81.5142.5000111.4I815 V816 G905 K911I815-L909 HydrophobicContact CG2-CB 4.44Å; I815-L909 HydrophobicContact CG2-CD1 4.18Å; V816-L909 HydrophobicContact CG2-CD1 4.07Å; G905-L909 WeakPolarHBondContact O-CB 3.48Å; G905-L909 PolarHBondContact O-N 3.13Å; L909-K911 HydrophobicContact CB-CG 4.23Å; L909-K911 HydrophobicContact CD2-CD 4.45Å; L909-K911 HydrophobicContact CD2-CG 4.03Å; L909-K911 PolarHBondContact O-N 3.32Å
910K53.2Low75.9Confident171 Ų17148.7 Ų48.774%0.74326%0.255SS*.  trans-71.874.6156.5-83.9-171.3178.1178.10109.2Q908 H912Q908-K910 PolarHBondContact O-N 3.11Å; Q908-K910 VanDerWaalsContact O-N 3.15Å; K910-H912 PolarHBondContact O-N 3.48Å
911K62.5Low75.2Confident49 Ų4946.1 Ų46.121%0.21325%0.25CC..  trans-69.2114.9173.1-83.5177.2165.1-160.90109.8I815 L909 E930 I931I815-K911 WeakPolarHBondContact O-CE 3.38Å; I815-K911 PolarHBondContact O-NZ 2.9Å; L909-K911 HydrophobicContact CB-CG 4.23Å; L909-K911 HydrophobicContact CD2-CD 4.45Å; L909-K911 HydrophobicContact CD2-CG 4.03Å; L909-K911 PolarHBondContact O-N 3.32Å; K911-E930 IonicContact NZ-OE2 3.61Å; K911-E930 PolarHBondContact NZ-OE2 3.37Å; K911-I931 WeakPolarHBondContact CA-O 3.25Å
912H73.5Confident74.5Confident60 Ų6049.8 Ų49.828%0.27827%0.269SS..EExtended strand (participates in β ladder)trans-92.2112.1164.1-78.6-80.4000108.5K910 F914 I931 Y993K910-H912 PolarHBondContact O-N 3.48Å; H912-F914 HydrophobicContact CB-CD2 4.41Å; H912-F914 HydrophobicContact CB-CE2 3.55Å; H912-F914 HydrophobicContact CB-CZ 3.88Å; H912-F914 WeakPolarHBondContact O-CD2 3.26Å; H912-I931 PolarHBondContact O-N 3.49Å; H912-Y993 HydrophobicContact CB-CD1 4.33Å; H912-Y993 HydrophobicContact CB-CG 4.33Å; H912-Y993 AromaticContact CD2-CD1 3.36Å; H912-Y993 WeakPolarHBondContact CD2-CD1 3.31Å; H912-Y993 AromaticContact CD2-CE1 2.95Å; H912-Y993 WeakPolarHBondContact CD2-CE1 3.44Å; H912-Y993 AromaticContact CD2-CZ 3.33Å; H912-Y993 AromaticContact CE1-CE1 3.93Å; H912-Y993 AromaticContact CE1-CE2 4Å; H912-Y993 AromaticContact CE1-CZ 3.47Å; H912-Y993 VanDerWaalsContact CE1-CZ 3.47Å; H912-Y993 PolarHBondContact CE1-OH 3.23Å; H912-Y993 AromaticContact CG-CD1 3.87Å; H912-Y993 AromaticContact CG-CE1 3.73Å; H912-Y993 AromaticContact CG-CZ 3.82Å; H912-Y993 AromaticContact ND1-CZ 3.9Å; H912-Y993 AromaticContact NE2-CE1 3.12Å; H912-Y993 WeakPolarHBondContact NE2-CE1 3.18Å; H912-Y993 AromaticContact NE2-CE2 4Å; H912-Y993 AromaticContact NE2-CZ 3.08Å; H912-Y993 PolarHBondContact NE2-OH 3.37Å
913S81.2Confident73.8Confident63 Ų6357.9 Ų57.944%0.44130%0.304SS..EExtended strand (participates in β ladder)trans-91.8128.7174.7-1700000109.8M929S913-M929 WeakPolarHBondContact CA-O 3.06Å
914F88.7Confident73.6Confident17 Ų1757.6 Ų57.68%0.07531%0.305CS..EExtended strand (participates in β ladder)trans-120.1131.3177.8-61.3-88.3000109.4H912 V916 M929 I931 K986 L990 Y993H912-F914 HydrophobicContact CB-CD2 4.41Å; H912-F914 HydrophobicContact CB-CE2 3.55Å; H912-F914 HydrophobicContact CB-CZ 3.88Å; H912-F914 WeakPolarHBondContact O-CD2 3.26Å; F914-V916 PolarHBondContact O-N 2.92Å; F914-M929 PolarHBondContact N-O 2.9Å; F914-M929 PolarHBondContact O-N 3.01Å; F914-I931 HydrophobicContact CD2-CG1 4.5Å; F914-I931 HydrophobicContact CE2-CD1 4.42Å; F914-I931 HydrophobicContact CE2-CG1 4.4Å; F914-K986 HydrophobicContact CD1-CB 4.24Å; F914-L990 HydrophobicContact CB-CD1 3.6Å; F914-L990 HydrophobicContact CB-CG 4.19Å; F914-L990 HydrophobicContact CD1-CB 3.85Å; F914-L990 HydrophobicContact CD1-CD1 4.46Å; F914-L990 HydrophobicContact CD1-CG 4.32Å; F914-L990 HydrophobicContact CD2-CB 4.02Å; F914-L990 HydrophobicContact CD2-CD1 4.05Å; F914-L990 HydrophobicContact CD2-CG 3.69Å; F914-L990 HydrophobicContact CE1-CB 3.98Å; F914-L990 HydrophobicContact CE2-CB 4.13Å; F914-L990 HydrophobicContact CE2-CG 4.11Å; F914-L990 HydrophobicContact CG-CB 3.88Å; F914-L990 HydrophobicContact CG-CD1 3.8Å; F914-L990 HydrophobicContact CG-CG 3.81Å; F914-L990 VanDerWaalsContact CZ-CA 3.49Å; F914-L990 HydrophobicContact CZ-CB 4.12Å; F914-Y993 HydrophobicContact CZ-CD2 4.17Å; F914-Y993 HydrophobicContact CZ-CG 4.43Å
915T89.7Confident73.7Confident64 Ų6463.7 Ų63.739%0.39334%0.338SS..EExtended strand (participates in β ladder)trans-69.6123.9169.4-490000109.2M926 C984T915-M926 HydrophobicContact CG2-CG 3.64Å; T915-M926 HydrophobicContact CG2-SD 3.9Å; T915-C984 PolarHBondContact O-SG 3.24Å
916V91.1Very high74.5Confident0 Ų067.1 Ų67.10%035%0.353CS..EExtended strand (participates in β ladder)trans-127.5152.3178.2-58.70000110F914 M927 M929 L938 Y982 Y983 C984 L990F914-V916 PolarHBondContact O-N 2.92Å; V916-M927 HydrophobicContact CG2-CB 3.93Å; V916-M927 PolarHBondContact N-O 3.03Å; V916-M927 PolarHBondContact O-N 3.16Å; V916-M927 VanDerWaalsContact O-O 3.08Å; V916-M929 HydrophobicContact CG1-CB 3.73Å; V916-M929 HydrophobicContact CG1-SD 4.46Å; V916-M929 HydrophobicContact CG2-CB 3.96Å; V916-L938 HydrophobicContact CG2-CD1 3.89Å; V916-Y982 HydrophobicContact CB-CD1 4.33Å; V916-Y982 HydrophobicContact CG2-CD1 3.91Å; V916-Y983 CarbonylContact C-O 3.52Å; V916-Y983 WeakPolarHBondContact CA-O 3.42Å; V916-C984 HydrophobicContact CG1-CB 4.13Å; V916-L990 HydrophobicContact CG1-CD1 3.88Å
917H89.9Confident75.5Confident43 Ų4367 Ų6720%0.19935%0.354CS..EExtended strand (participates in β ladder)trans-110.1127.9172.2-63.4-94000109.5I922 G924 D925 Y983H917-I922 PolarHBondContact ND1-O 3.4Å; H917-G924 PolarHBondContact ND1-O 3.41Å; H917-D925 WeakPolarHBondContact CA-O 3.23Å; H917-Y983 PolarHBondContact N-O 3.19Å; H917-Y983 PolarHBondContact O-N 3.23Å
918V83.8Confident76.8Confident49 Ų4967.3 Ų67.330%0.29735%0.354SS..EExtended strand (participates in β ladder)trans-97.8120.2178.3-178.60000108.4G924 D925 M927 L938 Y982V918-G924 CarbonylContact O-C 3.44Å; V918-G924 VanDerWaalsContact O-CA 3.32Å; V918-G924 WeakPolarHBondContact O-CA 3.35Å; V918-D925 PolarHBondContact N-O 2.97Å; V918-D925 PolarHBondContact O-N 3.12Å; V918-M927 HydrophobicContact CB-CG 4.44Å; V918-M927 HydrophobicContact CG2-CB 4.26Å; V918-M927 HydrophobicContact CG2-CE 4.2Å; V918-M927 HydrophobicContact CG2-CG 3.66Å; V918-L938 HydrophobicContact CG2-CD2 4.4Å; V918-Y982 HydrophobicContact CG2-CD1 3.77Å; V918-Y982 HydrophobicContact CG2-CE1 3.66Å
919G72.4Confident78.4Confident31 Ų3162.9 Ų62.932%0.3233%0.333SS..SBendtrans149.7-168.3-176.700000112.8D921 Y983G919-D921 VanDerWaalsContact C-N 3.31Å; G919-D921 PolarHBondContact O-N 2.93Å; G919-Y983 WeakPolarHBondContact O-CE2 3.45Å
920P71.5Confident79.9Confident111 Ų11162.9 Ų62.972%0.72133%0.333SS*.SBendtrans-73.6-18.9-179.529.1-33.9000113.5Y983P920-Y983 VanDerWaalsContact O-CE2 3.31Å; P920-Y983 WeakPolarHBondContact O-CE2 3.42Å; P920-Y983 PolarHBondContact O-OH 2.93Å
921D74.1Confident81.4Confident64 Ų6455 Ų5534%0.34230%0.299SS..SBendtrans-153.6-171.8-17762.221.5000113.2G919 F923 G924 Y983G919-D921 VanDerWaalsContact C-N 3.31Å; G919-D921 PolarHBondContact O-N 2.93Å; D921-F923 PolarHBondContact O-N 3.1Å; D921-F923 WeakPolarHBondContact OD1-CA 3.41Å; D921-F923 WeakPolarHBondContact OD1-CB 3.37Å; D921-F923 PolarHBondContact OD1-N 3.47Å; D921-G924 PolarHBondContact O-N 3.2Å; D921-G924 PolarHBondContact OD1-N 3.22Å; D921-Y983 VanDerWaalsContact N-CE2 3.35Å; D921-Y983 VanDerWaalsContact O-CD2 3.26Å; D921-Y983 WeakPolarHBondContact O-CD2 3.34Å
922I74.8Confident82Confident81 Ų8152.8 Ų52.842%0.41529%0.289SS..THydrogen-bonded Turntrans-66.7-8.2177.556.4164.4000114.3H917 Y983H917-I922 PolarHBondContact ND1-O 3.4Å; I922-Y983 HydrophobicContact CG2-CD1 4.09Å; I922-Y983 HydrophobicContact CG2-CG 4.2Å
923F76.1Confident81.9Confident174 Ų17451.6 Ų51.676%0.76329%0.285SS*.THydrogen-bonded Turntrans-95.80.1177.8-56.9-73.3000112.5D921D921-F923 PolarHBondContact O-N 3.1Å; D921-F923 WeakPolarHBondContact OD1-CA 3.41Å; D921-F923 WeakPolarHBondContact OD1-CB 3.37Å; D921-F923 PolarHBondContact OD1-N 3.47Å
924G78Confident81.5Confident15 Ų1549.3 Ų49.316%0.15527%0.268CS..SBendtrans-62.9172.417200000113.8H917 V918 D921 M926H917-G924 PolarHBondContact ND1-O 3.41Å; V918-G924 CarbonylContact O-C 3.44Å; V918-G924 VanDerWaalsContact O-CA 3.32Å; V918-G924 WeakPolarHBondContact O-CA 3.35Å; D921-G924 PolarHBondContact O-N 3.2Å; D921-G924 PolarHBondContact OD1-N 3.22Å; G924-M926 PolarHBondContact O-N 3.41Å
925D82.6Confident81Confident129 Ų12948.5 Ų48.569%0.6926%0.264SS*.EExtended strand (participates in β ladder)trans-58.7127-176-71.3-32.6000111H917 V918H917-D925 WeakPolarHBondContact CA-O 3.23Å; V918-D925 PolarHBondContact N-O 2.97Å; V918-D925 PolarHBondContact O-N 3.12Å
926M85.7Confident80.7Confident79 Ų7945.8 Ų45.839%0.38925%0.248SC..EExtended strand (participates in β ladder)trans-70.7134.3178.6-172.1-169.4-65.800109.9T915 G924 I941T915-M926 HydrophobicContact CG2-CG 3.64Å; T915-M926 HydrophobicContact CG2-SD 3.9Å; G924-M926 PolarHBondContact O-N 3.41Å; M926-I941 HydrophobicContact CB-CG1 4.5Å; M926-I941 WeakPolarHBondContact O-CG1 3.21Å
927M87.5Confident80.3Confident29 Ų2945.8 Ų45.814%0.14325%0.248CC..EExtended strand (participates in β ladder)trans-141.1168.6177.6-62-87.4-131.600109.7V916 V918 L938 R939 V946V916-M927 HydrophobicContact CG2-CB 3.93Å; V916-M927 PolarHBondContact N-O 3.03Å; V916-M927 PolarHBondContact O-N 3.16Å; V916-M927 VanDerWaalsContact O-O 3.08Å; V918-M927 HydrophobicContact CB-CG 4.44Å; V918-M927 HydrophobicContact CG2-CB 4.26Å; V918-M927 HydrophobicContact CG2-CE 4.2Å; V918-M927 HydrophobicContact CG2-CG 3.66Å; M927-L938 HydrophobicContact CB-CD1 4.07Å; M927-L938 HydrophobicContact CB-CG 4.42Å; M927-L938 HydrophobicContact CE-CD2 4Å; M927-L938 HydrophobicContact CE-CG 4.49Å; M927-R939 WeakPolarHBondContact CA-O 3.3Å; M927-V946 HydrophobicContact CE-CB 4.23Å; M927-V946 HydrophobicContact CE-CG1 3.86Å; M927-V946 HydrophobicContact CE-CG2 3.93Å; M927-V946 HydrophobicContact SD-CG2 3.97Å
928F87.8Confident80Confident58 Ų5844 Ų4425%0.25424%0.239SC..EExtended strand (participates in β ladder)trans-113.7119.3172.2-65.5-77.6000109.9R939F928-R939 HydrophobicContact CB-CB 4.41Å; F928-R939 PolarHBondContact N-O 3.08Å; F928-R939 PolarHBondContact O-N 2.77Å
929M89.1Confident79.9Confident1 Ų142.2 Ų42.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-96.4111.9172.3-176174.2-7400109S913 F914 V916 V936 L938 W949 L968 Y982 L990S913-M929 WeakPolarHBondContact CA-O 3.06Å; F914-M929 PolarHBondContact N-O 2.9Å; F914-M929 PolarHBondContact O-N 3.01Å; V916-M929 HydrophobicContact CG1-CB 3.73Å; V916-M929 HydrophobicContact CG1-SD 4.46Å; V916-M929 HydrophobicContact CG2-CB 3.96Å; M929-V936 HydrophobicContact CG-CG1 3.62Å; M929-V936 HydrophobicContact SD-CG1 4.06Å; M929-L938 HydrophobicContact CB-CD1 4.19Å; M929-L938 HydrophobicContact CE-CD1 4.12Å; M929-W949 HydrophobicContact CE-CH2 3.92Å; M929-W949 HydrophobicContact CE-CZ3 4.08Å; M929-L968 HydrophobicContact CE-CD1 3.66Å; M929-L968 HydrophobicContact SD-CD1 4.11Å; M929-Y982 HydrophobicContact CE-CD1 3.63Å; M929-Y982 HydrophobicContact CE-CD2 3.62Å; M929-Y982 HydrophobicContact CE-CE1 3.76Å; M929-Y982 HydrophobicContact CE-CE2 3.73Å; M929-Y982 HydrophobicContact CE-CG 3.55Å; M929-L990 HydrophobicContact SD-CD1 3.97Å; M929-L990 HydrophobicContact SD-CD2 4.14Å
930E85Confident80Confident32 Ų3241 Ų4115%0.1522%0.215CC..EExtended strand (participates in β ladder)trans-99.4125.6176.3-61.2-179.2172.300109.9K911 I937 R939K911-E930 IonicContact NZ-OE2 3.61Å; K911-E930 PolarHBondContact NZ-OE2 3.37Å; E930-I937 HydrophobicContact CB-CB 4.16Å; E930-I937 PolarHBondContact N-O 3.39Å; E930-I937 PolarHBondContact O-N 3.05Å; E930-R939 WeakPolarHBondContact OE1-CD 3.41Å; E930-R939 IonicContact OE1-NE 2.84Å; E930-R939 IonicContact OE2-NE 2.8Å; E930-R939 PolarHBondContact OE2-NE 3.43Å
931I84.8Confident80.2Confident6 Ų641.5 Ų41.53%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-97.8117.1174.4-55-156.9000108.5K911 H912 F914 F951 L990 A994 A997K911-I931 WeakPolarHBondContact CA-O 3.25Å; H912-I931 PolarHBondContact O-N 3.49Å; F914-I931 HydrophobicContact CD2-CG1 4.5Å; F914-I931 HydrophobicContact CE2-CD1 4.42Å; F914-I931 HydrophobicContact CE2-CG1 4.4Å; I931-F951 HydrophobicContact CG2-CZ 4.2Å; I931-L990 HydrophobicContact CD1-CD2 4.07Å; I931-L990 HydrophobicContact CD1-CG 4.31Å; I931-A994 HydrophobicContact CD1-CB 3.41Å; I931-A994 VanDerWaalsContact CD1-CB 3.41Å; I931-A997 HydrophobicContact CG2-CB 3.91Å
932S75.3Confident79.9Confident2 Ų243.3 Ų43.31%0.01422%0.22CC..  trans-97.8-178.3174.6620000111.7D934 A935 A997S932-D934 VanDerWaalsContact C-N 3.26Å; S932-D934 PolarHBondContact O-N 3.41Å; S932-A935 PolarHBondContact N-O 2.96Å; S932-A935 VanDerWaalsContact OG-C 3.25Å; S932-A935 WeakPolarHBondContact OG-CA 3.37Å; S932-A935 WeakPolarHBondContact OG-CB 3.41Å; S932-A935 PolarHBondContact OG-N 2.89Å; S932-A935 PolarHBondContact OG-O 3.44Å; S932-A997 WeakPolarHBondContact O-CB 3.11Å
933D70.9Confident79.3Confident35 Ų3540.7 Ų40.719%0.18721%0.213CC..SBendtrans-66.5-24-179.7-98.230000113.7A1001 K1004D933-A1001 WeakPolarHBondContact O-CB 3.43Å; D933-K1004 IonicContact OD2-NZ 3.98Å; D933-K1004 PolarHBondContact OD2-NZ 3.44Å
934D72.4Confident78.7Confident16 Ų1634.7 Ų34.79%0.08619%0.193CC..SBendtrans-140.8-2.5-172.940.216000114.3S932 W950 F951 K1006S932-D934 VanDerWaalsContact C-N 3.26Å; S932-D934 PolarHBondContact O-N 3.41Å; D934-W950 HydrophobicContact CB-CE3 4.48Å; D934-W950 HydrophobicContact CB-CZ3 4.43Å; D934-F951 VanDerWaalsContact C-CE2 3.49Å; D934-F951 VanDerWaalsContact CA-CD2 3.46Å; D934-F951 WeakPolarHBondContact O-CD2 3.26Å; D934-F951 PolarHBondContact O-N 3.05Å; D934-F951 VanDerWaalsContact O-N 3.12Å; D934-K1006 IonicContact OD2-NZ 3.58Å; D934-K1006 PolarHBondContact OD2-NZ 3.28Å
935A78.8Confident78.2Confident0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-148.4169.9-176.100000112.4S932 R948 W949 W950S932-A935 PolarHBondContact N-O 2.96Å; S932-A935 VanDerWaalsContact OG-C 3.25Å; S932-A935 WeakPolarHBondContact OG-CA 3.37Å; S932-A935 WeakPolarHBondContact OG-CB 3.41Å; S932-A935 PolarHBondContact OG-N 2.89Å; S932-A935 PolarHBondContact OG-O 3.44Å; A935-R948 HydrophobicContact CB-CG 4.48Å; A935-W949 CarbonylContact C-O 3.56Å; A935-W949 WeakPolarHBondContact CA-O 3.24Å; A935-W949 VanDerWaalsContact CB-O 3.23Å; A935-W949 WeakPolarHBondContact CB-O 3.45Å; A935-W950 HydrophobicContact CB-CD2 4.46Å; A935-W950 HydrophobicContact CB-CE3 3.82Å; A935-W950 HydrophobicContact CB-CZ3 4.18Å
936V83.3Confident77.8Confident7 Ų731.7 Ų31.74%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-120.1135.4165-173.60000108.1M929 R948 W949 F951M929-V936 HydrophobicContact CG-CG1 3.62Å; M929-V936 HydrophobicContact SD-CG1 4.06Å; V936-R948 WeakPolarHBondContact O-CA 3.24Å; V936-W949 HydrophobicContact CB-CE3 3.49Å; V936-W949 VanDerWaalsContact CB-CE3 3.49Å; V936-W949 HydrophobicContact CB-CZ3 3.66Å; V936-W949 HydrophobicContact CG1-CE3 3.72Å; V936-W949 HydrophobicContact CG1-CH2 4.21Å; V936-W949 HydrophobicContact CG1-CZ3 3.28Å; V936-W949 HydrophobicContact CG2-CE3 4.44Å; V936-W949 PolarHBondContact N-O 2.74Å; V936-W949 PolarHBondContact O-N 3.25Å; V936-F951 HydrophobicContact CG2-CD1 4.22Å; V936-F951 HydrophobicContact CG2-CE1 3.57Å; V936-F951 HydrophobicContact CG2-CZ 4.42Å
937I82.3Confident77.4Confident0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans-123.7124.7-171.3-62.3172.3000107.1E930 R939 L945 R948E930-I937 HydrophobicContact CB-CB 4.16Å; E930-I937 PolarHBondContact N-O 3.39Å; E930-I937 PolarHBondContact O-N 3.05Å; I937-R939 HydrophobicContact CG2-CG 4.11Å; I937-L945 HydrophobicContact CB-CD1 4.44Å; I937-L945 HydrophobicContact CG2-CD1 3.28Å; I937-R948 HydrophobicContact CG1-CG 4.28Å
938L84.3Confident76.9Confident4 Ų431.7 Ų31.72%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-106117176.8-166.973.3000109.2V916 V918 M927 M929 V946 E947 W949 Y982V916-L938 HydrophobicContact CG2-CD1 3.89Å; V918-L938 HydrophobicContact CG2-CD2 4.4Å; M927-L938 HydrophobicContact CB-CD1 4.07Å; M927-L938 HydrophobicContact CB-CG 4.42Å; M927-L938 HydrophobicContact CE-CD2 4Å; M927-L938 HydrophobicContact CE-CG 4.49Å; M929-L938 HydrophobicContact CB-CD1 4.19Å; M929-L938 HydrophobicContact CE-CD1 4.12Å; L938-V946 WeakPolarHBondContact O-CA 3.29Å; L938-V946 WeakPolarHBondContact O-CB 3.43Å; L938-V946 PolarHBondContact O-N 3.22Å; L938-E947 HydrophobicContact CB-CB 4.47Å; L938-E947 PolarHBondContact N-O 3.16Å; L938-E947 PolarHBondContact O-N 3.05Å; L938-W949 HydrophobicContact CB-CH2 3.87Å; L938-W949 HydrophobicContact CB-CZ2 3.73Å; L938-W949 HydrophobicContact CD1-CH2 4.42Å; L938-W949 HydrophobicContact CD2-CH2 4.47Å; L938-W949 HydrophobicContact CD2-CZ2 4.2Å; L938-W949 HydrophobicContact CG-CH2 4.49Å; L938-W949 HydrophobicContact CG-CZ2 4.49Å; L938-Y982 HydrophobicContact CD1-CD1 4.37Å; L938-Y982 HydrophobicContact CD1-CE1 3.84Å; L938-Y982 HydrophobicContact CD2-CE1 3.88Å
939R80.4Confident76.4Confident12 Ų1229.8 Ų29.85%0.04516%0.164CC..EExtended strand (participates in β ladder)trans-110.7145.9178.6-68-173.8175.4-77.8-3.2111.4E814 D819 M927 F928 E930 I937 G943 S944 L945E814-R939 PolarHBondContact O-NH2 3.02Å; D819-R939 IonicContact OD1-CZ 3.41Å; D819-R939 IonicContact OD1-NH1 3.04Å; D819-R939 IonicContact OD1-NH2 2.93Å; D819-R939 PolarHBondContact OD1-NH2 3.31Å; D819-R939 IonicContact OD2-CZ 2.76Å; D819-R939 IonicContact OD2-NH1 3.35Å; D819-R939 PolarHBondContact OD2-NH1 3.24Å; D819-R939 IonicContact OD2-NH2 3.1Å; D819-R939 PolarHBondContact OD2-NH2 3.42Å; M927-R939 WeakPolarHBondContact CA-O 3.3Å; F928-R939 HydrophobicContact CB-CB 4.41Å; F928-R939 PolarHBondContact N-O 3.08Å; F928-R939 PolarHBondContact O-N 2.77Å; E930-R939 WeakPolarHBondContact OE1-CD 3.41Å; E930-R939 IonicContact OE1-NE 2.84Å; E930-R939 IonicContact OE2-NE 2.8Å; E930-R939 PolarHBondContact OE2-NE 3.43Å; I937-R939 HydrophobicContact CG2-CG 4.11Å; R939-G943 WeakPolarHBondContact CD-O 3.48Å; R939-G943 PolarHBondContact NH1-O 3.41Å; R939-S944 CarbonylContact C-O 3.55Å; R939-S944 VanDerWaalsContact CA-O 3.31Å; R939-S944 WeakPolarHBondContact CA-O 3.49Å; R939-L945 HydrophobicContact CG-CD1 4.48Å
940G74.8Confident75.8Confident7 Ų730.2 Ų30.27%0.07217%0.165CC..  trans-71171.5171.100000112.2N942 G943 S944G940-N942 PolarHBondContact O-N 3.24Å; G940-G943 PolarHBondContact O-N 2.99Å; G940-S944 PolarHBondContact N-O 2.89Å
941I76.1Confident75.6Confident121 Ų12128.9 Ų28.962%0.62116%0.159SC*.THydrogen-bonded Turntrans-62.7-27.5-179.6-32.2165.7000112M926 G943M926-I941 HydrophobicContact CB-CG1 4.5Å; M926-I941 WeakPolarHBondContact O-CG1 3.21Å; I941-G943 VanDerWaalsContact C-N 3.27Å
942N67.5Low75Confident102 Ų10232.7 Ų32.755%0.54518%0.177SC..THydrogen-bonded Turntrans-81.91.5174.563-16000113.5G940 S944G940-N942 PolarHBondContact O-N 3.24Å; N942-S944 VanDerWaalsContact C-N 3.31Å; N942-S944 PolarHBondContact ND2-OG 2.93Å; N942-S944 VanDerWaalsContact ND2-OG 3.14Å; N942-S944 PolarHBondContact O-N 3.15Å; N942-S944 PolarHBondContact OD1-N 3.23Å; N942-S944 PolarHBondContact OD1-OG 3.48Å
943G63.4Low75.1Confident25 Ų2534.9 Ų34.926%0.25819%0.187SC..SBendtrans83.3-5.7-177.100000115.1R939 G940 I941 L945R939-G943 WeakPolarHBondContact CD-O 3.48Å; R939-G943 PolarHBondContact NH1-O 3.41Å; G940-G943 PolarHBondContact O-N 2.99Å; I941-G943 VanDerWaalsContact C-N 3.27Å; G943-L945 PolarHBondContact O-N 3.04Å
944S62.2Low75.3Confident49 Ų4934 Ų3434%0.34318%0.182SC..  trans-67.8135.6179.562.70000111.2R939 G940 N942 V946R939-S944 CarbonylContact C-O 3.55Å; R939-S944 VanDerWaalsContact CA-O 3.31Å; R939-S944 WeakPolarHBondContact CA-O 3.49Å; G940-S944 PolarHBondContact N-O 2.89Å; N942-S944 VanDerWaalsContact C-N 3.31Å; N942-S944 PolarHBondContact ND2-OG 2.93Å; N942-S944 VanDerWaalsContact ND2-OG 3.14Å; N942-S944 PolarHBondContact O-N 3.15Å; N942-S944 PolarHBondContact OD1-N 3.23Å; N942-S944 PolarHBondContact OD1-OG 3.48Å; S944-V946 PolarHBondContact O-N 3.11Å
945L67Low75.2Confident13 Ų1335.6 Ų35.67%0.06819%0.192CC..EExtended strand (participates in β ladder)trans-62.2123.6172.9-176.754.8000110.3L820 I937 R939 G943 E947 R948L820-L945 HydrophobicContact CD1-CB 4.27Å; L820-L945 HydrophobicContact CD1-CD2 3.46Å; L820-L945 VanDerWaalsContact CD1-CD2 3.46Å; L820-L945 HydrophobicContact CD1-CG 3.7Å; L820-L945 HydrophobicContact CD2-CB 4.44Å; L820-L945 HydrophobicContact CG-CB 4.09Å; L820-L945 HydrophobicContact CG-CD2 3.78Å; L820-L945 HydrophobicContact CG-CG 4.05Å; I937-L945 HydrophobicContact CB-CD1 4.44Å; I937-L945 HydrophobicContact CG2-CD1 3.28Å; R939-L945 HydrophobicContact CG-CD1 4.48Å; G943-L945 PolarHBondContact O-N 3.04Å; L945-E947 WeakPolarHBondContact CD1-O 3.48Å; L945-R948 HydrophobicContact CD2-CB 4.48Å
946V75.2Confident74.9Confident67 Ų6735.8 Ų35.841%0.40619%0.193SC..EExtended strand (participates in β ladder)trans-98.3-51.9177.7-177.20000109.9M927 L938 S944M927-V946 HydrophobicContact CE-CB 4.23Å; M927-V946 HydrophobicContact CE-CG1 3.86Å; M927-V946 HydrophobicContact CE-CG2 3.93Å; M927-V946 HydrophobicContact SD-CG2 3.97Å; L938-V946 WeakPolarHBondContact O-CA 3.29Å; L938-V946 WeakPolarHBondContact O-CB 3.43Å; L938-V946 PolarHBondContact O-N 3.22Å; S944-V946 PolarHBondContact O-N 3.11Å
947E76.5Confident74.6Confident78 Ų7835.7 Ų35.736%0.36419%0.192SC..EExtended strand (participates in β ladder)trans-144.6153.5174.4-59.4-172.7167.100111.3L938 L945 W949 R970L938-E947 HydrophobicContact CB-CB 4.47Å; L938-E947 PolarHBondContact N-O 3.16Å; L938-E947 PolarHBondContact O-N 3.05Å; L945-E947 WeakPolarHBondContact CD1-O 3.48Å; E947-W949 HydrophobicContact CB-CZ2 3.93Å; E947-W949 WeakPolarHBondContact OE2-CZ2 3.34Å; E947-W949 PolarHBondContact OE2-NE1 2.95Å; E947-R970 IonicContact OE2-CZ 3.95Å; E947-R970 IonicContact OE2-NH1 3.93Å; E947-R970 PolarHBondContact OE2-NH1 2.91Å; E947-R970 IonicContact OE2-NH2 3.8Å
948R76.8Confident74Confident31 Ų3136.3 Ų36.312%0.11720%0.196CC..EExtended strand (participates in β ladder)trans-132.1136.5171.4175.4-173.6-178.2118.65.9109V816 G817 A935 V936 I937 L945V816-R948 PolarHBondContact O-NH1 2.96Å; G817-R948 PolarHBondContact O-NH1 2.78Å; A935-R948 HydrophobicContact CB-CG 4.48Å; V936-R948 WeakPolarHBondContact O-CA 3.24Å; I937-R948 HydrophobicContact CG1-CG 4.28Å; L945-R948 HydrophobicContact CD2-CB 4.48Å
949W77.4Confident73.6Confident17 Ų1737 Ų376%0.06420%0.199CC..EExtended strand (participates in β ladder)trans-134.6134.9178-24.5-62.6000110M929 A935 V936 L938 E947 L968 Y982M929-W949 HydrophobicContact CE-CH2 3.92Å; M929-W949 HydrophobicContact CE-CZ3 4.08Å; A935-W949 CarbonylContact C-O 3.56Å; A935-W949 WeakPolarHBondContact CA-O 3.24Å; A935-W949 VanDerWaalsContact CB-O 3.23Å; A935-W949 WeakPolarHBondContact CB-O 3.45Å; V936-W949 HydrophobicContact CB-CE3 3.49Å; V936-W949 VanDerWaalsContact CB-CE3 3.49Å; V936-W949 HydrophobicContact CB-CZ3 3.66Å; V936-W949 HydrophobicContact CG1-CE3 3.72Å; V936-W949 HydrophobicContact CG1-CH2 4.21Å; V936-W949 HydrophobicContact CG1-CZ3 3.28Å; V936-W949 HydrophobicContact CG2-CE3 4.44Å; V936-W949 PolarHBondContact N-O 2.74Å; V936-W949 PolarHBondContact O-N 3.25Å; L938-W949 HydrophobicContact CB-CH2 3.87Å; L938-W949 HydrophobicContact CB-CZ2 3.73Å; L938-W949 HydrophobicContact CD1-CH2 4.42Å; L938-W949 HydrophobicContact CD2-CH2 4.47Å; L938-W949 HydrophobicContact CD2-CZ2 4.2Å; L938-W949 HydrophobicContact CG-CH2 4.49Å; L938-W949 HydrophobicContact CG-CZ2 4.49Å; E947-W949 HydrophobicContact CB-CZ2 3.93Å; E947-W949 WeakPolarHBondContact OE2-CZ2 3.34Å; E947-W949 PolarHBondContact OE2-NE1 2.95Å; W949-L968 HydrophobicContact CZ3-CD1 4.03Å; W949-Y982 HydrophobicContact CH2-CE2 4.49Å; W949-Y982 AromaticContact CH2-CZ 3.99Å; W949-Y982 WeakPolarHBondContact CH2-OH 3.37Å
950W77.8Confident73.1Confident10 Ų1036.7 Ų36.74%0.03820%0.198CC..EExtended strand (participates in β ladder)trans-78.8151.4173.2-57.6106.3000110.4D830 L834 E837 D934 A935 E952 Q953D830-W950 PolarHBondContact OD1-NE1 3.16Å; L834-W950 HydrophobicContact CD2-CZ2 4.45Å; E837-W950 WeakPolarHBondContact OE1-CH2 3.48Å; E837-W950 WeakPolarHBondContact OE2-CH2 3.38Å; D934-W950 HydrophobicContact CB-CE3 4.48Å; D934-W950 HydrophobicContact CB-CZ3 4.43Å; A935-W950 HydrophobicContact CB-CD2 4.46Å; A935-W950 HydrophobicContact CB-CE3 3.82Å; A935-W950 HydrophobicContact CB-CZ3 4.18Å; W950-E952 PolarHBondContact O-N 2.72Å; W950-E952 VanDerWaalsContact O-N 3.12Å; W950-Q953 WeakPolarHBondContact O-CB 3.28Å; W950-Q953 PolarHBondContact O-N 3.3Å
951F79.5Confident72.9Confident5 Ų539.2 Ų39.22%0.02221%0.214CC..G310 helixtrans-60.3-23.8177.3-69.4-44.2000113.6I931 D934 V936 Q953 L954 A997 M998 A1001 V1007I931-F951 HydrophobicContact CG2-CZ 4.2Å; D934-F951 VanDerWaalsContact C-CE2 3.49Å; D934-F951 VanDerWaalsContact CA-CD2 3.46Å; D934-F951 WeakPolarHBondContact O-CD2 3.26Å; D934-F951 PolarHBondContact O-N 3.05Å; D934-F951 VanDerWaalsContact O-N 3.12Å; V936-F951 HydrophobicContact CG2-CD1 4.22Å; V936-F951 HydrophobicContact CG2-CE1 3.57Å; V936-F951 HydrophobicContact CG2-CZ 4.42Å; F951-Q953 PolarHBondContact O-N 3.17Å; F951-L954 WeakPolarHBondContact O-CB 3.49Å; F951-L954 PolarHBondContact O-N 3.21Å; F951-A997 HydrophobicContact CE2-CB 4.01Å; F951-A997 HydrophobicContact CZ-CB 3.81Å; F951-M998 HydrophobicContact CB-CE 4.26Å; F951-M998 HydrophobicContact CB-CG 4.16Å; F951-M998 HydrophobicContact CD1-CE 4.3Å; F951-M998 HydrophobicContact CD1-CG 3.28Å; F951-M998 HydrophobicContact CD1-SD 3.89Å; F951-M998 HydrophobicContact CD2-CB 4.47Å; F951-M998 HydrophobicContact CD2-CG 3.83Å; F951-M998 HydrophobicContact CE1-CG 3.42Å; F951-M998 VanDerWaalsContact CE1-CG 3.42Å; F951-M998 HydrophobicContact CE1-SD 4.19Å; F951-M998 HydrophobicContact CE2-CG 3.97Å; F951-M998 HydrophobicContact CG-CB 4.47Å; F951-M998 HydrophobicContact CG-CE 4.49Å; F951-M998 HydrophobicContact CG-CG 3.51Å; F951-M998 HydrophobicContact CG-SD 4.48Å; F951-M998 HydrophobicContact CZ-CG 3.79Å; F951-A1001 HydrophobicContact CD2-CB 3.87Å; F951-A1001 HydrophobicContact CE2-CB 4.36Å; F951-V1007 HydrophobicContact CB-CG2 4.22Å
952E74.1Confident72.5Confident85 Ų8540.5 Ų40.540%0.39722%0.215SC..G310 helixtrans-61.8-28.7173.4-61.5144.2-142.100113R833 W950 L954 V1007R833-E952 IonicContact CZ-OE1 3.63Å; R833-E952 IonicContact NH1-OE1 3.47Å; R833-E952 PolarHBondContact NH1-OE1 2.8Å; R833-E952 IonicContact NH1-OE2 3.67Å; R833-E952 PolarHBondContact NH1-OE2 2.89Å; R833-E952 IonicContact NH2-OE1 2.97Å; R833-E952 PolarHBondContact NH2-OE1 3.21Å; R833-E952 VanDerWaalsContact NH2-OE1 3.1Å; W950-E952 PolarHBondContact O-N 2.72Å; W950-E952 VanDerWaalsContact O-N 3.12Å; E952-L954 VanDerWaalsContact C-N 3.33Å; E952-V1007 HydrophobicContact CG-CB 4.29Å; E952-V1007 HydrophobicContact CG-CG1 3.88Å; E952-V1007 HydrophobicContact CG-CG2 4.06Å
953Q76.9Confident72.8Confident49 Ų4939.5 Ų39.523%0.22921%0.212CC..G310 helixtrans-82.7-13.9176.3-65.4169.4-25.600111.5W950 F951 V955 R970 R971W950-Q953 WeakPolarHBondContact O-CB 3.28Å; W950-Q953 PolarHBondContact O-N 3.3Å; F951-Q953 PolarHBondContact O-N 3.17Å; Q953-V955 PolarHBondContact O-N 3.17Å; Q953-R970 CarbonylContact O-C 3.59Å; Q953-R970 VanDerWaalsContact O-CA 3.25Å; Q953-R970 WeakPolarHBondContact O-CA 3.29Å; Q953-R971 PolarHBondContact O-N 2.88Å
954L75.6Confident73.6Confident15 Ų1542.6 Ų42.68%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-85.1112-178.1-164.172.8000110.7F951 E952 M957 L968 W969 R970 M998F951-L954 WeakPolarHBondContact O-CB 3.49Å; F951-L954 PolarHBondContact O-N 3.21Å; E952-L954 VanDerWaalsContact C-N 3.33Å; L954-M957 HydrophobicContact CD2-CB 4.21Å; L954-L968 HydrophobicContact CD1-CB 4.11Å; L954-L968 HydrophobicContact CD1-CD2 3.46Å; L954-L968 VanDerWaalsContact CD1-CD2 3.46Å; L954-L968 HydrophobicContact CD1-CG 4.39Å; L954-L968 HydrophobicContact CD2-CD2 4.08Å; L954-L968 HydrophobicContact CG-CD2 4.42Å; L954-W969 WeakPolarHBondContact CD1-O 3.29Å; L954-R970 HydrophobicContact CD1-CG 4.15Å; L954-M998 HydrophobicContact CB-CE 4.25Å; L954-M998 HydrophobicContact CD2-CE 3.77Å; L954-M998 HydrophobicContact CD2-SD 3.5Å; L954-M998 VanDerWaalsContact CD2-SD 3.5Å; L954-M998 HydrophobicContact CG-CE 4.47Å
955V70.3Confident74.5Confident50 Ų5041 Ų4130%0.30321%0.206SC..EExtended strand (participates in β ladder)trans-80.6-46.4179.9-1800000111Q953 W969 R971 V977Q953-V955 PolarHBondContact O-N 3.17Å; V955-W969 HydrophobicContact CB-CB 4.14Å; V955-W969 PolarHBondContact N-O 2.93Å; V955-R971 HydrophobicContact CG2-CB 3.8Å; V955-V977 HydrophobicContact CG2-CG1 4.15Å; V955-V977 HydrophobicContact CG2-CG2 4.18Å
956N71.5Confident75.2Confident4 Ų440.3 Ų40.32%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-157.4157180-165.57000110.5W969 L1014N956-W969 HydrophobicContact CB-CB 4.17Å; N956-W969 HydrophobicContact CB-CG 4.32Å; N956-W969 PolarHBondContact N-O 3.32Å; N956-W969 PolarHBondContact O-N 2.85Å; N956-L1014 PolarHBondContact OD1-O 2.83Å
957M76.3Confident75.5Confident5 Ų537.4 Ų37.43%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-138.1133175.1-171.6-178.8-179.700109.8L954 V966 C967 L968 L990 Y991 A994L954-M957 HydrophobicContact CD2-CB 4.21Å; M957-V966 HydrophobicContact CE-CG1 3.47Å; M957-V966 VanDerWaalsContact CE-CG1 3.47Å; M957-V966 HydrophobicContact CG-CG1 4.39Å; M957-C967 WeakPolarHBondContact CA-O 3.46Å; M957-L968 HydrophobicContact CB-CD2 4.14Å; M957-L968 HydrophobicContact CE-CD2 4.05Å; M957-L968 HydrophobicContact CG-CD2 3.59Å; M957-L968 HydrophobicContact CG-CG 4.38Å; M957-L968 HydrophobicContact SD-CD2 3.76Å; M957-L990 HydrophobicContact CE-CD2 3.22Å; M957-Y991 HydrophobicContact CB-CD2 4.32Å; M957-Y991 HydrophobicContact CB-CE2 4.11Å; M957-Y991 HydrophobicContact CE-CD2 4.19Å; M957-Y991 HydrophobicContact CG-CD2 3.8Å; M957-Y991 HydrophobicContact CG-CE2 4.1Å; M957-Y991 VanDerWaalsContact O-CE2 3.23Å; M957-Y991 WeakPolarHBondContact O-CE2 3.33Å; M957-Y991 HydrophobicContact SD-CD2 3.88Å; M957-Y991 HydrophobicContact SD-CE2 4.41Å; M957-A994 HydrophobicContact CE-CB 3.73Å; M957-A994 HydrophobicContact SD-CB 3.46Å; M957-A994 WeakPolarHBondContact SD-CB 3.41Å
958T70.7Confident75.7Confident14 Ų1433.8 Ų33.89%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-135.8158177.546.20000109.5V966 C967 C1099T958-V966 WeakPolarHBondContact O-CA 3.19Å; T958-C967 PolarHBondContact N-O 2.93Å; T958-C967 PolarHBondContact O-N 2.76Å; T958-C967 WeakPolarHBondContact OG1-CB 3.33Å; T958-C1099 HydrophobicContact CG2-CB 4.41Å
959Y74.8Confident75.7Confident19 Ų1933.5 Ų33.58%0.07517%0.168CC..EExtended strand (participates in β ladder)trans-147.4140.1179.879.6-82.5000112P961 V965 C987 R988 Y991 S1102Y959-P961 HydrophobicContact CD2-CG 4.38Å; Y959-P961 HydrophobicContact CE2-CG 3.81Å; Y959-V965 CarbonylContact C-O 3.54Å; Y959-V965 VanDerWaalsContact CA-O 3.26Å; Y959-V965 WeakPolarHBondContact CA-O 3.45Å; Y959-C987 HydrophobicContact CD2-CB 4.23Å; Y959-R988 HydrophobicContact CD2-CB 4.21Å; Y959-R988 VanDerWaalsContact CE2-CA 3.5Å; Y959-R988 HydrophobicContact CE2-CB 3.58Å; Y959-R988 HydrophobicContact CE2-CG 3.86Å; Y959-Y991 VanDerWaalsContact CD1-CB 3.41Å; Y959-Y991 AromaticContact CD1-CD1 3.56Å; Y959-Y991 HydrophobicContact CD1-CD1 3.56Å; Y959-Y991 AromaticContact CD1-CD2 3.81Å; Y959-Y991 HydrophobicContact CD1-CD2 3.81Å; Y959-Y991 HydrophobicContact CD1-CE1 4.28Å; Y959-Y991 HydrophobicContact CD1-CE2 4.49Å; Y959-Y991 AromaticContact CD1-CG 3.27Å; Y959-Y991 HydrophobicContact CD1-CG 3.27Å; Y959-Y991 AromaticContact CE1-CD1 3.47Å; Y959-Y991 HydrophobicContact CE1-CD1 3.47Å; Y959-Y991 VanDerWaalsContact CE1-CD1 3.47Å; Y959-Y991 HydrophobicContact CE1-CE1 4.1Å; Y959-Y991 AromaticContact CE1-CG 3.73Å; Y959-Y991 HydrophobicContact CE1-CG 3.73Å; Y959-Y991 HydrophobicContact CG-CG 4.17Å; Y959-S1102 VanDerWaalsContact C-CB 3.41Å; Y959-S1102 CarbonylContact O-C 3.55Å; Y959-S1102 VanDerWaalsContact O-C 3.24Å; Y959-S1102 WeakPolarHBondContact O-CB 3.44Å
960S70.3Confident75.6Confident4 Ų434.5 Ų34.53%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-106.6116.4173.8-171.30000111.6K962 T963 K964 V965 C987 F1101 S1102S960-K962 VanDerWaalsContact C-N 3.29Å; S960-K962 PolarHBondContact OG-N 3.13Å; S960-T963 WeakPolarHBondContact CB-OG1 3.47Å; S960-T963 PolarHBondContact OG-N 3.17Å; S960-T963 PolarHBondContact OG-OG1 2.98Å; S960-K964 CarbonylContact O-C 3.59Å; S960-K964 WeakPolarHBondContact O-CA 3.47Å; S960-K964 PolarHBondContact O-N 3.12Å; S960-V965 PolarHBondContact N-O 3.11Å; S960-V965 PolarHBondContact O-N 2.94Å; S960-C987 PolarHBondContact O-SG 2.86Å; S960-F1101 PolarHBondContact OG-O 2.92Å; S960-S1102 VanDerWaalsContact CA-O 3.24Å; S960-S1102 WeakPolarHBondContact CA-O 3.49Å
961P70.5Confident75.3Confident61 Ų6140.6 Ų40.640%0.39619%0.194SC..THydrogen-bonded Turntrans-61.3-39.2168.5-1119.5000112.1Y959 K964 S1102Y959-P961 HydrophobicContact CD2-CG 4.38Å; Y959-P961 HydrophobicContact CE2-CG 3.81Å; P961-K964 PolarHBondContact O-N 2.66Å; P961-S1102 WeakPolarHBondContact CD-O 3.31Å
962K69.2Low74.8Confident148 Ų14843.2 Ų43.264%0.64321%0.209SC*.THydrogen-bonded Turntrans-68.1-49-173.2-172.1175.5-177175.10112.2S960 Y1104S960-K962 VanDerWaalsContact C-N 3.29Å; S960-K962 PolarHBondContact OG-N 3.13Å; K962-Y1104 WeakPolarHBondContact CB-O 3.35Å
963T72.8Confident74.4Confident80 Ų8042.9 Ų42.949%0.49122%0.215SC..THydrogen-bonded Turntrans-91.2-2.2177.763.40000113.2S960 V965S960-T963 WeakPolarHBondContact CB-OG1 3.47Å; S960-T963 PolarHBondContact OG-N 3.17Å; S960-T963 PolarHBondContact OG-OG1 2.98Å; T963-V965 PolarHBondContact O-N 3.46Å; T963-V965 WeakPolarHBondContact OG1-CG1 3.43Å
964K80.1Confident73.9Confident91 Ų9148.8 Ų48.840%0.39624%0.243SC..THydrogen-bonded Turntrans56.336.9-179.1-59.6173.2-177.9167.30112.3S960 P961 Y983 C984 K985S960-K964 CarbonylContact O-C 3.59Å; S960-K964 WeakPolarHBondContact O-CA 3.47Å; S960-K964 PolarHBondContact O-N 3.12Å; P961-K964 PolarHBondContact O-N 2.66Å; K964-Y983 CarbonylContact O-C 3.54Å; K964-Y983 VanDerWaalsContact O-CA 3.26Å; K964-Y983 WeakPolarHBondContact O-CA 3.23Å; K964-C984 PolarHBondContact O-N 2.92Å; K964-K985 HydrophobicContact CD-CG 4.35Å
965V80.5Confident73.5Confident14 Ų1450 Ų509%0.08526%0.26CS..EExtended strand (participates in β ladder)trans-110146.7180790000111Y959 S960 T963 K981 Y982 Y983Y959-V965 CarbonylContact C-O 3.54Å; Y959-V965 VanDerWaalsContact CA-O 3.26Å; Y959-V965 WeakPolarHBondContact CA-O 3.45Å; S960-V965 PolarHBondContact N-O 3.11Å; S960-V965 PolarHBondContact O-N 2.94Å; T963-V965 PolarHBondContact O-N 3.46Å; T963-V965 WeakPolarHBondContact OG1-CG1 3.43Å; V965-K981 HydrophobicContact CG2-CB 4.16Å; V965-Y982 CarbonylContact C-O 3.45Å; V965-Y982 WeakPolarHBondContact CA-O 3.39Å; V965-Y983 HydrophobicContact CB-CD1 3.83Å; V965-Y983 HydrophobicContact CB-CE1 3.72Å; V965-Y983 HydrophobicContact CG2-CD1 3.86Å; V965-Y983 HydrophobicContact CG2-CD2 4.37Å; V965-Y983 HydrophobicContact CG2-CE1 3.65Å; V965-Y983 HydrophobicContact CG2-CE2 4.18Å; V965-Y983 HydrophobicContact CG2-CG 4.22Å
966V83.6Confident73.1Confident0 Ų054.6 Ų54.60%028%0.276CS..EExtended strand (participates in β ladder)trans-118.6128.9167.9175.70000106.9M957 T958 L968 Y982 C987 L990M957-V966 HydrophobicContact CE-CG1 3.47Å; M957-V966 VanDerWaalsContact CE-CG1 3.47Å; M957-V966 HydrophobicContact CG-CG1 4.39Å; T958-V966 WeakPolarHBondContact O-CA 3.19Å; V966-L968 HydrophobicContact CG1-CG 4.39Å; V966-Y982 PolarHBondContact N-O 3.01Å; V966-Y982 PolarHBondContact O-N 2.79Å; V966-C987 HydrophobicContact CG2-CB 3.5Å; V966-C987 VanDerWaalsContact CG2-CB 3.5Å; V966-L990 HydrophobicContact CG1-CD2 4.05Å; V966-L990 HydrophobicContact CG2-CD1 4.43Å; V966-L990 HydrophobicContact CG2-CD2 4.22Å
967C80.9Confident73Confident6 Ų656.2 Ų56.24%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-112.3123-179.8-67.80000108.8M957 T958 L979 S980M957-C967 WeakPolarHBondContact CA-O 3.46Å; T958-C967 PolarHBondContact N-O 2.93Å; T958-C967 PolarHBondContact O-N 2.76Å; T958-C967 WeakPolarHBondContact OG1-CB 3.33Å; C967-L979 HydrophobicContact CB-CD1 3.88Å; C967-S980 WeakPolarHBondContact CA-O 3.39Å
968L80.3Confident72.8Confident1 Ų158.3 Ų58.31%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-114.2120.4179.3-71.8158.4000108.8M929 W949 L954 M957 V966 S980 Y982M929-L968 HydrophobicContact CE-CD1 3.66Å; M929-L968 HydrophobicContact SD-CD1 4.11Å; W949-L968 HydrophobicContact CZ3-CD1 4.03Å; L954-L968 HydrophobicContact CD1-CB 4.11Å; L954-L968 HydrophobicContact CD1-CD2 3.46Å; L954-L968 VanDerWaalsContact CD1-CD2 3.46Å; L954-L968 HydrophobicContact CD1-CG 4.39Å; L954-L968 HydrophobicContact CD2-CD2 4.08Å; L954-L968 HydrophobicContact CG-CD2 4.42Å; M957-L968 HydrophobicContact CB-CD2 4.14Å; M957-L968 HydrophobicContact CE-CD2 4.05Å; M957-L968 HydrophobicContact CG-CD2 3.59Å; M957-L968 HydrophobicContact CG-CG 4.38Å; M957-L968 HydrophobicContact SD-CD2 3.76Å; V966-L968 HydrophobicContact CG1-CG 4.39Å; L968-S980 PolarHBondContact N-O 3.33Å; L968-S980 PolarHBondContact O-N 3.49Å; L968-Y982 HydrophobicContact CB-CE2 4.48Å; L968-Y982 HydrophobicContact CD1-CD2 3.69Å; L968-Y982 HydrophobicContact CD1-CE2 3.55Å
969W75.9Confident72.9Confident26 Ų2660.8 Ų60.810%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-96.6121173.6-65.987.3000108.7L954 V955 N956 V977 S978 L979 Y1095L954-W969 WeakPolarHBondContact CD1-O 3.29Å; V955-W969 HydrophobicContact CB-CB 4.14Å; V955-W969 PolarHBondContact N-O 2.93Å; N956-W969 HydrophobicContact CB-CB 4.17Å; N956-W969 HydrophobicContact CB-CG 4.32Å; N956-W969 PolarHBondContact N-O 3.32Å; N956-W969 PolarHBondContact O-N 2.85Å; W969-V977 HydrophobicContact CB-CG1 4.35Å; W969-V977 HydrophobicContact CE3-CG1 3.93Å; W969-S978 WeakPolarHBondContact CA-O 3.12Å; W969-L979 HydrophobicContact CD2-CB 4.26Å; W969-L979 HydrophobicContact CD2-CD1 3.83Å; W969-L979 VanDerWaalsContact CE2-CD1 3.45Å; W969-L979 HydrophobicContact CE3-CB 3.94Å; W969-L979 HydrophobicContact CE3-CD1 4.39Å; W969-L979 HydrophobicContact CG-CD1 4.19Å; W969-L979 HydrophobicContact CH2-CB 3.74Å; W969-L979 HydrophobicContact CH2-CD1 4.21Å; W969-L979 HydrophobicContact CH2-CD2 3.79Å; W969-L979 HydrophobicContact CH2-CG 4.1Å; W969-L979 HydrophobicContact CZ2-CB 4.13Å; W969-L979 HydrophobicContact CZ2-CD1 3.68Å; W969-L979 HydrophobicContact CZ2-CD2 3.7Å; W969-L979 HydrophobicContact CZ2-CG 4.02Å; W969-L979 HydrophobicContact CZ3-CB 3.68Å; W969-L979 HydrophobicContact CZ3-CG 4.47Å; W969-Y1095 HydrophobicContact CD2-CE2 4.01Å; W969-Y1095 AromaticContact CD2-CZ 3.74Å; W969-Y1095 VanDerWaalsContact CD2-OH 3.27Å; W969-Y1095 AromaticContact CE2-CE2 3.72Å; W969-Y1095 AromaticContact CE2-CZ 3.45Å; W969-Y1095 VanDerWaalsContact CE2-CZ 3.45Å; W969-Y1095 AromaticContact CE3-CE2 3.7Å; W969-Y1095 HydrophobicContact CE3-CE2 3.7Å; W969-Y1095 AromaticContact CE3-CZ 3.85Å; W969-Y1095 AromaticContact CH2-CD2 3.15Å; W969-Y1095 HydrophobicContact CH2-CD2 3.15Å; W969-Y1095 HydrophobicContact CH2-CE1 4.43Å; W969-Y1095 AromaticContact CH2-CE2 2.86Å; W969-Y1095 HydrophobicContact CH2-CE2 2.86Å; W969-Y1095 HydrophobicContact CH2-CG 4.1Å; W969-Y1095 AromaticContact CH2-CZ 3.57Å; W969-Y1095 HydrophobicContact CZ2-CD1 4.16Å; W969-Y1095 AromaticContact CZ2-CD2 3.44Å; W969-Y1095 HydrophobicContact CZ2-CD2 3.44Å; W969-Y1095 VanDerWaalsContact CZ2-CD2 3.44Å; W969-Y1095 AromaticContact CZ2-CE1 3.89Å; W969-Y1095 HydrophobicContact CZ2-CE1 3.89Å; W969-Y1095 AromaticContact CZ2-CE2 3.16Å; W969-Y1095 HydrophobicContact CZ2-CE2 3.16Å; W969-Y1095 AromaticContact CZ2-CG 3.95Å; W969-Y1095 HydrophobicContact CZ2-CG 3.95Å; W969-Y1095 AromaticContact CZ2-CZ 3.37Å; W969-Y1095 AromaticContact CZ3-CD2 3.87Å; W969-Y1095 HydrophobicContact CZ3-CD2 3.87Å; W969-Y1095 AromaticContact CZ3-CE2 3.13Å; W969-Y1095 HydrophobicContact CZ3-CE2 3.13Å; W969-Y1095 AromaticContact CZ3-CZ 3.77Å
970R75.5Confident73.1Confident38 Ų3860.8 Ų60.814%0.14332%0.316CS..EExtended strand (participates in β ladder)trans-124137.5-173.8-59.9-179.9-60.4170.63.5110.7E947 Q953 L954 V977 S978 S980E947-R970 IonicContact OE2-CZ 3.95Å; E947-R970 IonicContact OE2-NH1 3.93Å; E947-R970 PolarHBondContact OE2-NH1 2.91Å; E947-R970 IonicContact OE2-NH2 3.8Å; Q953-R970 CarbonylContact O-C 3.59Å; Q953-R970 VanDerWaalsContact O-CA 3.25Å; Q953-R970 WeakPolarHBondContact O-CA 3.29Å; L954-R970 HydrophobicContact CD1-CG 4.15Å; R970-V977 CarbonylContact O-C 3.57Å; R970-V977 VanDerWaalsContact O-CA 3.27Å; R970-V977 WeakPolarHBondContact O-CA 3.3Å; R970-S978 PolarHBondContact N-O 3.38Å; R970-S978 PolarHBondContact O-N 2.81Å; R970-S978 PolarHBondContact O-OG 3.41Å; R970-S980 PolarHBondContact NH2-OG 3.28Å
971R72.3Confident73.7Confident137 Ų13764.5 Ų64.552%0.51733%0.332SS..EExtended strand (participates in β ladder)trans-91.2126.3169.6-168.6-178.4-68.6169.40.2108.5Q953 V955 K976Q953-R971 PolarHBondContact O-N 2.88Å; V955-R971 HydrophobicContact CG2-CB 3.8Å; R971-K976 WeakPolarHBondContact CA-O 3.37Å
972D69.7Low74.5Confident61 Ų6162 Ų6233%0.32632%0.315SS..  trans-77.9177.2171.762.426.5000111.7E974 G975 K976D972-E974 PolarHBondContact O-N 2.77Å; D972-E974 PolarHBondContact OD1-N 2.67Å; D972-E974 VanDerWaalsContact OD1-N 3.1Å; D972-G975 PolarHBondContact O-N 2.99Å; D972-G975 PolarHBondContact OD1-N 2.98Å; D972-K976 VanDerWaalsContact CG-O 3.23Å; D972-K976 PolarHBondContact N-O 3.16Å; D972-K976 WeakPolarHBondContact OD1-CA 3.36Å; D972-K976 WeakPolarHBondContact OD1-CB 3.34Å; D972-K976 PolarHBondContact OD1-N 3.24Å; D972-K976 WeakPolarHBondContact OD2-CB 3.31Å
973S64.7Low75.4Confident77 Ų7756.8 Ų56.854%0.53829%0.291SS..THydrogen-bonded Turntrans-66.2-17.4-179.645.90000113.7H827H827-S973 PolarHBondContact CE1-OG 3.49Å; H827-S973 PolarHBondContact ND1-OG 3.3Å
974E67.6Low76Confident173 Ų17353.2 Ų53.281%0.80827%0.269SS*.THydrogen-bonded Turntrans-91.4-0.9174.8-62.9-180-177.900112.3D972D972-E974 PolarHBondContact O-N 2.77Å; D972-E974 PolarHBondContact OD1-N 2.67Å; D972-E974 VanDerWaalsContact OD1-N 3.1Å
975G65.2Low76.3Confident42 Ų4257.9 Ų57.943%0.43329%0.289SS..SBendtrans86.90.2179.300000114.7D972D972-G975 PolarHBondContact O-N 2.99Å; D972-G975 PolarHBondContact OD1-N 2.98Å
976K63.8Low76.7Confident145 Ų14563.9 Ų63.963%0.6331%0.314SS*.  trans-80.8137.9179.2176.5-176.1-176-178.80110.4R971 D972R971-K976 WeakPolarHBondContact CA-O 3.37Å; D972-K976 VanDerWaalsContact CG-O 3.23Å; D972-K976 PolarHBondContact N-O 3.16Å; D972-K976 WeakPolarHBondContact OD1-CA 3.36Å; D972-K976 WeakPolarHBondContact OD1-CB 3.34Å; D972-K976 PolarHBondContact OD1-N 3.24Å; D972-K976 WeakPolarHBondContact OD2-CB 3.31Å
977V69.4Low76.7Confident39 Ų3964.1 Ų64.124%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-96.5130.1-176-173.20000110.3V955 W969 R970V955-V977 HydrophobicContact CG2-CG1 4.15Å; V955-V977 HydrophobicContact CG2-CG2 4.18Å; W969-V977 HydrophobicContact CB-CG1 4.35Å; W969-V977 HydrophobicContact CE3-CG1 3.93Å; R970-V977 CarbonylContact O-C 3.57Å; R970-V977 VanDerWaalsContact O-CA 3.27Å; R970-V977 WeakPolarHBondContact O-CA 3.3Å
978S70.5Confident76.6Confident48 Ų4871.8 Ų71.834%0.33634%0.344SS..EExtended strand (participates in β ladder)trans-121146.4177.563.10000111.4W969 R970W969-S978 WeakPolarHBondContact CA-O 3.12Å; R970-S978 PolarHBondContact N-O 3.38Å; R970-S978 PolarHBondContact O-N 2.81Å; R970-S978 PolarHBondContact O-OG 3.41Å
979L72.9Confident76.8Confident66 Ų6674.5 Ų74.535%0.34636%0.363SS..EExtended strand (participates in β ladder)trans-103.6126.2176.1175.662000110.4C967 W969 K981C967-L979 HydrophobicContact CB-CD1 3.88Å; W969-L979 HydrophobicContact CD2-CB 4.26Å; W969-L979 HydrophobicContact CD2-CD1 3.83Å; W969-L979 VanDerWaalsContact CE2-CD1 3.45Å; W969-L979 HydrophobicContact CE3-CB 3.94Å; W969-L979 HydrophobicContact CE3-CD1 4.39Å; W969-L979 HydrophobicContact CG-CD1 4.19Å; W969-L979 HydrophobicContact CH2-CB 3.74Å; W969-L979 HydrophobicContact CH2-CD1 4.21Å; W969-L979 HydrophobicContact CH2-CD2 3.79Å; W969-L979 HydrophobicContact CH2-CG 4.1Å; W969-L979 HydrophobicContact CZ2-CB 4.13Å; W969-L979 HydrophobicContact CZ2-CD1 3.68Å; W969-L979 HydrophobicContact CZ2-CD2 3.7Å; W969-L979 HydrophobicContact CZ2-CG 4.02Å; W969-L979 HydrophobicContact CZ3-CB 3.68Å; W969-L979 HydrophobicContact CZ3-CG 4.47Å; L979-K981 HydrophobicContact CD2-CG 4.49Å; L979-K981 HydrophobicContact CG-CG 4.44Å
980S79.7Confident77.3Confident20 Ų2073.3 Ų73.314%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-114.5132170.4-60.40000110.5C967 L968 R970 Y982C967-S980 WeakPolarHBondContact CA-O 3.39Å; L968-S980 PolarHBondContact N-O 3.33Å; L968-S980 PolarHBondContact O-N 3.49Å; R970-S980 PolarHBondContact NH2-OG 3.28Å; S980-Y982 VanDerWaalsContact CB-CE2 3.45Å
981K82.5Confident77.7Confident82 Ų8272.1 Ų72.136%0.35735%0.354SS..EExtended strand (participates in β ladder)trans-108.1133.5178.3-64.4179.5-177.1171.90110.1V965 L979V965-K981 HydrophobicContact CG2-CB 4.16Å; L979-K981 HydrophobicContact CD2-CG 4.49Å; L979-K981 HydrophobicContact CG-CG 4.44Å
982Y88.4Confident78.2Confident9 Ų969.4 Ų69.44%0.03535%0.353CS..EExtended strand (participates in β ladder)trans-132.1123.6-179.8-63.6-86.4000110.1V916 V918 M929 L938 W949 V965 V966 L968 S980V916-Y982 HydrophobicContact CB-CD1 4.33Å; V916-Y982 HydrophobicContact CG2-CD1 3.91Å; V918-Y982 HydrophobicContact CG2-CD1 3.77Å; V918-Y982 HydrophobicContact CG2-CE1 3.66Å; M929-Y982 HydrophobicContact CE-CD1 3.63Å; M929-Y982 HydrophobicContact CE-CD2 3.62Å; M929-Y982 HydrophobicContact CE-CE1 3.76Å; M929-Y982 HydrophobicContact CE-CE2 3.73Å; M929-Y982 HydrophobicContact CE-CG 3.55Å; L938-Y982 HydrophobicContact CD1-CD1 4.37Å; L938-Y982 HydrophobicContact CD1-CE1 3.84Å; L938-Y982 HydrophobicContact CD2-CE1 3.88Å; W949-Y982 HydrophobicContact CH2-CE2 4.49Å; W949-Y982 AromaticContact CH2-CZ 3.99Å; W949-Y982 WeakPolarHBondContact CH2-OH 3.37Å; V965-Y982 CarbonylContact C-O 3.45Å; V965-Y982 WeakPolarHBondContact CA-O 3.39Å; V966-Y982 PolarHBondContact N-O 3.01Å; V966-Y982 PolarHBondContact O-N 2.79Å; L968-Y982 HydrophobicContact CB-CE2 4.48Å; L968-Y982 HydrophobicContact CD1-CD2 3.69Å; L968-Y982 HydrophobicContact CD1-CE2 3.55Å; S980-Y982 VanDerWaalsContact CB-CE2 3.45Å
983Y86.9Confident78.8Confident38 Ų3871.5 Ų71.515%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-91.5123.8179.4-65.9-91000111.1V916 H917 G919 P920 D921 I922 K964 V965V916-Y983 CarbonylContact C-O 3.52Å; V916-Y983 WeakPolarHBondContact CA-O 3.42Å; H917-Y983 PolarHBondContact N-O 3.19Å; H917-Y983 PolarHBondContact O-N 3.23Å; G919-Y983 WeakPolarHBondContact O-CE2 3.45Å; P920-Y983 VanDerWaalsContact O-CE2 3.31Å; P920-Y983 WeakPolarHBondContact O-CE2 3.42Å; P920-Y983 PolarHBondContact O-OH 2.93Å; D921-Y983 VanDerWaalsContact N-CE2 3.35Å; D921-Y983 VanDerWaalsContact O-CD2 3.26Å; D921-Y983 WeakPolarHBondContact O-CD2 3.34Å; I922-Y983 HydrophobicContact CG2-CD1 4.09Å; I922-Y983 HydrophobicContact CG2-CG 4.2Å; K964-Y983 CarbonylContact O-C 3.54Å; K964-Y983 VanDerWaalsContact O-CA 3.26Å; K964-Y983 WeakPolarHBondContact O-CA 3.23Å; V965-Y983 HydrophobicContact CB-CD1 3.83Å; V965-Y983 HydrophobicContact CB-CE1 3.72Å; V965-Y983 HydrophobicContact CG2-CD1 3.86Å; V965-Y983 HydrophobicContact CG2-CD2 4.37Å; V965-Y983 HydrophobicContact CG2-CE1 3.65Å; V965-Y983 HydrophobicContact CG2-CE2 4.18Å; V965-Y983 HydrophobicContact CG2-CG 4.22Å
984C86.7Confident79.7Confident5 Ų567.9 Ų67.93%0.03433%0.332CS..  trans-143.8127.3-174.7-173.90000111.7T915 V916 K964 K986 C987 L990T915-C984 PolarHBondContact O-SG 3.24Å; V916-C984 HydrophobicContact CG1-CB 4.13Å; K964-C984 PolarHBondContact O-N 2.92Å; C984-K986 PolarHBondContact O-N 3.44Å; C984-K986 PolarHBondContact SG-N 3.34Å; C984-C987 HydrophobicContact CB-CB 4.41Å; C984-C987 WeakPolarHBondContact O-CB 3.43Å; C984-C987 PolarHBondContact O-N 3.25Å; C984-L990 HydrophobicContact CB-CD1 4.43Å
985K86.2Confident80.2Confident188 Ų18862.2 Ų62.282%0.81731%0.305SS*.THydrogen-bonded Turntrans-61-25.5173.4-68-179.1-177.6174.90113.1K964K964-K985 HydrophobicContact CD-CG 4.35Å
986K87.8Confident80.9Confident140 Ų14062.3 Ų62.361%0.60930%0.298SS*.THydrogen-bonded Turntrans-107.432.2179.6-63.4-174.7179.7178.40111.9F914 C984 R988 S989 L990F914-K986 HydrophobicContact CD1-CB 4.24Å; C984-K986 PolarHBondContact O-N 3.44Å; C984-K986 PolarHBondContact SG-N 3.34Å; K986-R988 VanDerWaalsContact C-N 3.25Å; K986-R988 PolarHBondContact O-N 3.43Å; K986-S989 PolarHBondContact O-N 3.34Å; K986-S989 VanDerWaalsContact O-N 3.08Å; K986-L990 PolarHBondContact O-N 3.47Å
987C83.1Confident81.6Confident5 Ų556 Ų563%0.03427%0.274CS..Hα-helixtrans-51.5-39.6-177.157.10000113.7Y959 S960 V966 C984 L990 Y991Y959-C987 HydrophobicContact CD2-CB 4.23Å; S960-C987 PolarHBondContact O-SG 2.86Å; V966-C987 HydrophobicContact CG2-CB 3.5Å; V966-C987 VanDerWaalsContact CG2-CB 3.5Å; C984-C987 HydrophobicContact CB-CB 4.41Å; C984-C987 WeakPolarHBondContact O-CB 3.43Å; C984-C987 PolarHBondContact O-N 3.25Å; C987-L990 PolarHBondContact O-N 3.32Å; C987-Y991 WeakPolarHBondContact O-CB 3.32Å; C987-Y991 PolarHBondContact O-N 2.95Å
988R80.2Confident81.9Confident167 Ų16754.9 Ų54.963%0.6327%0.266SS*.Hα-helixtrans-60.9-52.1175.6-174171.7-169.21773.4112.3Y959 K986 L990 Y991 T992Y959-R988 HydrophobicContact CD2-CB 4.21Å; Y959-R988 VanDerWaalsContact CE2-CA 3.5Å; Y959-R988 HydrophobicContact CE2-CB 3.58Å; Y959-R988 HydrophobicContact CE2-CG 3.86Å; K986-R988 VanDerWaalsContact C-N 3.25Å; K986-R988 PolarHBondContact O-N 3.43Å; R988-L990 VanDerWaalsContact C-N 3.29Å; R988-L990 PolarHBondContact O-N 3.17Å; R988-Y991 PolarHBondContact O-N 2.97Å; R988-T992 PolarHBondContact O-N 3.39Å; R988-T992 PolarHBondContact O-OG1 2.81Å
989S84.1Confident82.1Confident59 Ų5957.3 Ų57.341%0.41327%0.272SS..Hα-helixtrans-62.6-39.2179.6-54.20000111.7K986 T992 Y993K986-S989 PolarHBondContact O-N 3.34Å; K986-S989 VanDerWaalsContact O-N 3.08Å; S989-T992 PolarHBondContact O-N 3.11Å; S989-Y993 WeakPolarHBondContact O-CB 3.43Å; S989-Y993 PolarHBondContact O-N 3.1Å
990L87.1Confident82.1Confident0 Ų058.9 Ų58.90%028%0.276CS..Hα-helixtrans-59.8-50.8176.2-172.3164.1000110.5F914 V916 M929 I931 M957 V966 C984 K986 C987 R988 Y993 A994F914-L990 HydrophobicContact CB-CD1 3.6Å; F914-L990 HydrophobicContact CB-CG 4.19Å; F914-L990 HydrophobicContact CD1-CB 3.85Å; F914-L990 HydrophobicContact CD1-CD1 4.46Å; F914-L990 HydrophobicContact CD1-CG 4.32Å; F914-L990 HydrophobicContact CD2-CB 4.02Å; F914-L990 HydrophobicContact CD2-CD1 4.05Å; F914-L990 HydrophobicContact CD2-CG 3.69Å; F914-L990 HydrophobicContact CE1-CB 3.98Å; F914-L990 HydrophobicContact CE2-CB 4.13Å; F914-L990 HydrophobicContact CE2-CG 4.11Å; F914-L990 HydrophobicContact CG-CB 3.88Å; F914-L990 HydrophobicContact CG-CD1 3.8Å; F914-L990 HydrophobicContact CG-CG 3.81Å; F914-L990 VanDerWaalsContact CZ-CA 3.49Å; F914-L990 HydrophobicContact CZ-CB 4.12Å; V916-L990 HydrophobicContact CG1-CD1 3.88Å; M929-L990 HydrophobicContact SD-CD1 3.97Å; M929-L990 HydrophobicContact SD-CD2 4.14Å; I931-L990 HydrophobicContact CD1-CD2 4.07Å; I931-L990 HydrophobicContact CD1-CG 4.31Å; M957-L990 HydrophobicContact CE-CD2 3.22Å; V966-L990 HydrophobicContact CG1-CD2 4.05Å; V966-L990 HydrophobicContact CG2-CD1 4.43Å; V966-L990 HydrophobicContact CG2-CD2 4.22Å; C984-L990 HydrophobicContact CB-CD1 4.43Å; K986-L990 PolarHBondContact O-N 3.47Å; C987-L990 PolarHBondContact O-N 3.32Å; R988-L990 VanDerWaalsContact C-N 3.29Å; R988-L990 PolarHBondContact O-N 3.17Å; L990-Y993 PolarHBondContact O-N 2.88Å; L990-A994 WeakPolarHBondContact O-CB 3.33Å; L990-A994 PolarHBondContact O-N 3.4Å
991Y83.3Confident81.6Confident14 Ų1457.9 Ų57.96%0.05527%0.269CS..Hα-helixtrans-60-48.3176.9177.5-95.2000112.9M957 Y959 C987 R988 Y993 A994 K995 I1035M957-Y991 HydrophobicContact CB-CD2 4.32Å; M957-Y991 HydrophobicContact CB-CE2 4.11Å; M957-Y991 HydrophobicContact CE-CD2 4.19Å; M957-Y991 HydrophobicContact CG-CD2 3.8Å; M957-Y991 HydrophobicContact CG-CE2 4.1Å; M957-Y991 VanDerWaalsContact O-CE2 3.23Å; M957-Y991 WeakPolarHBondContact O-CE2 3.33Å; M957-Y991 HydrophobicContact SD-CD2 3.88Å; M957-Y991 HydrophobicContact SD-CE2 4.41Å; Y959-Y991 VanDerWaalsContact CD1-CB 3.41Å; Y959-Y991 AromaticContact CD1-CD1 3.56Å; Y959-Y991 HydrophobicContact CD1-CD1 3.56Å; Y959-Y991 AromaticContact CD1-CD2 3.81Å; Y959-Y991 HydrophobicContact CD1-CD2 3.81Å; Y959-Y991 HydrophobicContact CD1-CE1 4.28Å; Y959-Y991 HydrophobicContact CD1-CE2 4.49Å; Y959-Y991 AromaticContact CD1-CG 3.27Å; Y959-Y991 HydrophobicContact CD1-CG 3.27Å; Y959-Y991 AromaticContact CE1-CD1 3.47Å; Y959-Y991 HydrophobicContact CE1-CD1 3.47Å; Y959-Y991 VanDerWaalsContact CE1-CD1 3.47Å; Y959-Y991 HydrophobicContact CE1-CE1 4.1Å; Y959-Y991 AromaticContact CE1-CG 3.73Å; Y959-Y991 HydrophobicContact CE1-CG 3.73Å; Y959-Y991 HydrophobicContact CG-CG 4.17Å; C987-Y991 WeakPolarHBondContact O-CB 3.32Å; C987-Y991 PolarHBondContact O-N 2.95Å; R988-Y991 PolarHBondContact O-N 2.97Å; Y991-Y993 VanDerWaalsContact C-N 3.28Å; Y991-Y993 PolarHBondContact O-N 3.48Å; Y991-A994 WeakPolarHBondContact O-CB 3.33Å; Y991-A994 PolarHBondContact O-N 3.19Å; Y991-K995 HydrophobicContact CE1-CD 4.31Å; Y991-K995 WeakPolarHBondContact O-CB 3.36Å; Y991-K995 PolarHBondContact O-N 2.92Å; Y991-I1035 HydrophobicContact CD1-CD1 4.19Å; Y991-I1035 HydrophobicContact CE1-CD1 3.51Å; Y991-I1035 HydrophobicContact CE1-CG1 4.2Å
992T81.8Confident80.8Confident79 Ų7954.7 Ų54.749%0.48526%0.258SS..Hα-helixtrans-60.8-39.1-179.6-50.50000111.7R988 S989 S996R988-T992 PolarHBondContact O-N 3.39Å; R988-T992 PolarHBondContact O-OG1 2.81Å; S989-T992 PolarHBondContact O-N 3.11Å; T992-S996 PolarHBondContact O-N 3.19Å; T992-S996 VanDerWaalsContact O-N 3.12Å
993Y83.4Confident79.8Confident106 Ų10658.6 Ų58.642%0.41629%0.292SS..Hα-helixtrans-68.6-45.2175.5-100.7-76.9000112.8H912 F914 S989 L990 Y991 K995 S996 A997H912-Y993 HydrophobicContact CB-CD1 4.33Å; H912-Y993 HydrophobicContact CB-CG 4.33Å; H912-Y993 AromaticContact CD2-CD1 3.36Å; H912-Y993 WeakPolarHBondContact CD2-CD1 3.31Å; H912-Y993 AromaticContact CD2-CE1 2.95Å; H912-Y993 WeakPolarHBondContact CD2-CE1 3.44Å; H912-Y993 AromaticContact CD2-CZ 3.33Å; H912-Y993 AromaticContact CE1-CE1 3.93Å; H912-Y993 AromaticContact CE1-CE2 4Å; H912-Y993 AromaticContact CE1-CZ 3.47Å; H912-Y993 VanDerWaalsContact CE1-CZ 3.47Å; H912-Y993 PolarHBondContact CE1-OH 3.23Å; H912-Y993 AromaticContact CG-CD1 3.87Å; H912-Y993 AromaticContact CG-CE1 3.73Å; H912-Y993 AromaticContact CG-CZ 3.82Å; H912-Y993 AromaticContact ND1-CZ 3.9Å; H912-Y993 AromaticContact NE2-CE1 3.12Å; H912-Y993 WeakPolarHBondContact NE2-CE1 3.18Å; H912-Y993 AromaticContact NE2-CE2 4Å; H912-Y993 AromaticContact NE2-CZ 3.08Å; H912-Y993 PolarHBondContact NE2-OH 3.37Å; F914-Y993 HydrophobicContact CZ-CD2 4.17Å; F914-Y993 HydrophobicContact CZ-CG 4.43Å; S989-Y993 WeakPolarHBondContact O-CB 3.43Å; S989-Y993 PolarHBondContact O-N 3.1Å; L990-Y993 PolarHBondContact O-N 2.88Å; Y991-Y993 VanDerWaalsContact C-N 3.28Å; Y991-Y993 PolarHBondContact O-N 3.48Å; Y993-K995 VanDerWaalsContact C-N 3.33Å; Y993-K995 PolarHBondContact O-N 2.72Å; Y993-S996 PolarHBondContact O-N 3.33Å; Y993-A997 WeakPolarHBondContact O-CB 3.18Å; Y993-A997 PolarHBondContact O-N 3.39Å
994A83.2Confident78.7Confident1 Ų160.2 Ų60.21%0.00830%0.3CS..Hα-helixtrans-54.7-51.5176.100000111I931 M957 L990 Y991 S996 A997 M998I931-A994 HydrophobicContact CD1-CB 3.41Å; I931-A994 VanDerWaalsContact CD1-CB 3.41Å; M957-A994 HydrophobicContact CE-CB 3.73Å; M957-A994 HydrophobicContact SD-CB 3.46Å; M957-A994 WeakPolarHBondContact SD-CB 3.41Å; L990-A994 WeakPolarHBondContact O-CB 3.33Å; L990-A994 PolarHBondContact O-N 3.4Å; Y991-A994 WeakPolarHBondContact O-CB 3.33Å; Y991-A994 PolarHBondContact O-N 3.19Å; A994-S996 PolarHBondContact O-N 2.88Å; A994-A997 PolarHBondContact O-N 3.46Å; A994-M998 VanDerWaalsContact O-CG 3.26Å; A994-M998 WeakPolarHBondContact O-CG 3.47Å; A994-M998 PolarHBondContact O-N 2.97Å
995K78.2Confident77.5Confident54 Ų5463.1 Ų63.124%0.23533%0.331CS..Hα-helixtrans-57-49.9178.9178.9172.4174.1176.10111.5Y991 Y993 A997 M998 E999 L1014Y991-K995 HydrophobicContact CE1-CD 4.31Å; Y991-K995 WeakPolarHBondContact O-CB 3.36Å; Y991-K995 PolarHBondContact O-N 2.92Å; Y993-K995 VanDerWaalsContact C-N 3.33Å; Y993-K995 PolarHBondContact O-N 2.72Å; K995-A997 VanDerWaalsContact C-N 3.32Å; K995-A997 PolarHBondContact O-N 3.4Å; K995-M998 PolarHBondContact O-N 3.07Å; K995-E999 WeakPolarHBondContact CE-OE1 3.48Å; K995-E999 HydrophobicContact CG-CG 4.49Å; K995-E999 IonicContact NZ-OE1 3.22Å; K995-E999 WeakPolarHBondContact O-CG 3.46Å; K995-E999 PolarHBondContact O-N 2.98Å; K995-L1014 HydrophobicContact CB-CD1 4.43Å; K995-L1014 HydrophobicContact CG-CD1 4.2Å
996S78.8Confident75.9Confident43 Ų4359 Ų5930%0.30131%0.313SS..Hα-helixtrans-62.3-38179.2-175.80000112.8T992 Y993 A994 K1000T992-S996 PolarHBondContact O-N 3.19Å; T992-S996 VanDerWaalsContact O-N 3.12Å; Y993-S996 PolarHBondContact O-N 3.33Å; A994-S996 PolarHBondContact O-N 2.88Å; S996-K1000 VanDerWaalsContact O-CG 3.31Å; S996-K1000 WeakPolarHBondContact O-CG 3.26Å; S996-K1000 PolarHBondContact O-N 2.93Å; S996-K1000 VanDerWaalsContact O-N 3.16Å
997A78.9Confident74.2Confident14 Ų1452.9 Ų52.912%0.11629%0.288CS..Hα-helixtrans-66.3-43.6176.300000111.6I931 S932 F951 Y993 A994 K995 K1000 A1001I931-A997 HydrophobicContact CG2-CB 3.91Å; S932-A997 WeakPolarHBondContact O-CB 3.11Å; F951-A997 HydrophobicContact CE2-CB 4.01Å; F951-A997 HydrophobicContact CZ-CB 3.81Å; Y993-A997 WeakPolarHBondContact O-CB 3.18Å; Y993-A997 PolarHBondContact O-N 3.39Å; A994-A997 PolarHBondContact O-N 3.46Å; K995-A997 VanDerWaalsContact C-N 3.32Å; K995-A997 PolarHBondContact O-N 3.4Å; A997-K1000 PolarHBondContact O-N 3.5Å; A997-A1001 PolarHBondContact O-N 3.48Å
998M77Confident72.5Confident14 Ų1457.8 Ų57.87%0.06932%0.322CS..Hα-helixtrans-61.6-46.6176.5-71.4-179.773.600112.8F951 L954 A994 K995 K1000 A1001 A1002 L1014F951-M998 HydrophobicContact CB-CE 4.26Å; F951-M998 HydrophobicContact CB-CG 4.16Å; F951-M998 HydrophobicContact CD1-CE 4.3Å; F951-M998 HydrophobicContact CD1-CG 3.28Å; F951-M998 HydrophobicContact CD1-SD 3.89Å; F951-M998 HydrophobicContact CD2-CB 4.47Å; F951-M998 HydrophobicContact CD2-CG 3.83Å; F951-M998 HydrophobicContact CE1-CG 3.42Å; F951-M998 VanDerWaalsContact CE1-CG 3.42Å; F951-M998 HydrophobicContact CE1-SD 4.19Å; F951-M998 HydrophobicContact CE2-CG 3.97Å; F951-M998 HydrophobicContact CG-CB 4.47Å; F951-M998 HydrophobicContact CG-CE 4.49Å; F951-M998 HydrophobicContact CG-CG 3.51Å; F951-M998 HydrophobicContact CG-SD 4.48Å; F951-M998 HydrophobicContact CZ-CG 3.79Å; L954-M998 HydrophobicContact CB-CE 4.25Å; L954-M998 HydrophobicContact CD2-CE 3.77Å; L954-M998 HydrophobicContact CD2-SD 3.5Å; L954-M998 VanDerWaalsContact CD2-SD 3.5Å; L954-M998 HydrophobicContact CG-CE 4.47Å; A994-M998 VanDerWaalsContact O-CG 3.26Å; A994-M998 WeakPolarHBondContact O-CG 3.47Å; A994-M998 PolarHBondContact O-N 2.97Å; K995-M998 PolarHBondContact O-N 3.07Å; M998-K1000 VanDerWaalsContact C-N 3.27Å; M998-K1000 PolarHBondContact O-N 2.99Å; M998-A1001 WeakPolarHBondContact O-CB 3.43Å; M998-A1001 PolarHBondContact O-N 3.31Å; M998-A1001 VanDerWaalsContact O-N 3.13Å; M998-A1002 PolarHBondContact O-N 3.44Å; M998-L1014 HydrophobicContact CE-CD1 4.19Å; M998-L1014 HydrophobicContact CE-CD2 3.63Å; M998-L1014 HydrophobicContact CE-CG 4.33Å; M998-L1014 HydrophobicContact SD-CD1 3.88Å; M998-L1014 HydrophobicContact SD-CD2 4.17Å
999E73.8Confident70.8Confident99 Ų9953.9 Ų53.946%0.46331%0.313SS..Hα-helixtrans-59.5-40.5177.4-73.2169.3168.600111.2K995 A1002 A1003K995-E999 WeakPolarHBondContact CE-OE1 3.48Å; K995-E999 HydrophobicContact CG-CG 4.49Å; K995-E999 IonicContact NZ-OE1 3.22Å; K995-E999 WeakPolarHBondContact O-CG 3.46Å; K995-E999 PolarHBondContact O-N 2.98Å; E999-A1002 PolarHBondContact O-N 3.4Å; E999-A1003 WeakPolarHBondContact O-CB 3.34Å; E999-A1003 PolarHBondContact O-N 2.71Å
1000K72.8Confident68.7Low99 Ų9955.7 Ų55.743%0.4332%0.324SS..Hα-helixtrans-66.4-40.7173.7-74173.3-177.3173.80112.7I691 S996 A997 M998 A1002 A1003 K1004I691-K1000 HydrophobicContact CD1-CD 4.46Å; S996-K1000 VanDerWaalsContact O-CG 3.31Å; S996-K1000 WeakPolarHBondContact O-CG 3.26Å; S996-K1000 PolarHBondContact O-N 2.93Å; S996-K1000 VanDerWaalsContact O-N 3.16Å; A997-K1000 PolarHBondContact O-N 3.5Å; M998-K1000 VanDerWaalsContact C-N 3.27Å; M998-K1000 PolarHBondContact O-N 2.99Å; K1000-A1002 VanDerWaalsContact C-N 3.3Å; K1000-A1002 PolarHBondContact O-N 3.09Å; K1000-A1003 PolarHBondContact O-N 3.49Å; K1000-K1004 WeakPolarHBondContact O-CG 3.46Å; K1000-K1004 PolarHBondContact O-N 3.29Å
1001A68.5Low66.2Low0 Ų059.1 Ų59.10%036%0.358CS..Hα-helixtrans-62-41.1178.200000111.5D933 F951 A997 M998 K1004 K1006 V1007D933-A1001 WeakPolarHBondContact O-CB 3.43Å; F951-A1001 HydrophobicContact CD2-CB 3.87Å; F951-A1001 HydrophobicContact CE2-CB 4.36Å; A997-A1001 PolarHBondContact O-N 3.48Å; M998-A1001 WeakPolarHBondContact O-CB 3.43Å; M998-A1001 PolarHBondContact O-N 3.31Å; M998-A1001 VanDerWaalsContact O-N 3.13Å; A1001-K1004 PolarHBondContact O-N 3.27Å; A1001-K1006 PolarHBondContact O-N 3.29Å; A1001-V1007 HydrophobicContact CB-CG2 3.88Å
1002A66.9Low64Low15 Ų1567.1 Ų67.112%0.12439%0.394CS..Hα-helixtrans-69.1-42177.800000112.8M998 E999 K1000 K1004 G1005 L1009M998-A1002 PolarHBondContact O-N 3.44Å; E999-A1002 PolarHBondContact O-N 3.4Å; K1000-A1002 VanDerWaalsContact C-N 3.3Å; K1000-A1002 PolarHBondContact O-N 3.09Å; A1002-K1004 PolarHBondContact O-N 3.06Å; A1002-G1005 PolarHBondContact O-N 2.69Å; A1002-L1009 HydrophobicContact CB-CB 4.45Å; A1002-L1009 HydrophobicContact CB-CD1 3.21Å; A1002-L1009 HydrophobicContact CB-CD2 4.29Å; A1002-L1009 HydrophobicContact CB-CG 3.36Å
1003A67.5Low62.1Low91 Ų9169 Ų6975%0.75240%0.397SS*.Hα-helixtrans-59.9-28.117500000112.8E999 K1000 G1005E999-A1003 WeakPolarHBondContact O-CB 3.34Å; E999-A1003 PolarHBondContact O-N 2.71Å; K1000-A1003 PolarHBondContact O-N 3.49Å; A1003-G1005 PolarHBondContact O-N 3.27Å
1004K64.1Low60.3Low71 Ų7165.4 Ų65.431%0.30939%0.385SS..THydrogen-bonded Turntrans-78.4-0.2174.8-68.9174-176.1179.80113.8I691 D933 K1000 A1001 A1002 K1006I691-K1004 VanDerWaalsContact CG2-CE 3.43Å; I691-K1004 VanDerWaalsContact CG2-NZ 3.26Å; D933-K1004 IonicContact OD2-NZ 3.98Å; D933-K1004 PolarHBondContact OD2-NZ 3.44Å; K1000-K1004 WeakPolarHBondContact O-CG 3.46Å; K1000-K1004 PolarHBondContact O-N 3.29Å; A1001-K1004 PolarHBondContact O-N 3.27Å; A1002-K1004 PolarHBondContact O-N 3.06Å; K1004-K1006 HydrophobicContact CB-CG 4.28Å; K1004-K1006 PolarHBondContact O-N 3.16Å
1005G60.1Low58.5Low67 Ų6766.6 Ų66.669%0.69139%0.393SS*.THydrogen-bonded Turntrans67.89.3-174.600000114.2A1002 A1003 V1007A1002-G1005 PolarHBondContact O-N 2.69Å; A1003-G1005 PolarHBondContact O-N 3.27Å; G1005-V1007 VanDerWaalsContact C-N 3.35Å
1006K53.7Low57.3Low100 Ų10064.8 Ų64.844%0.43539%0.389SS..SBendtrans-76.7-24.2178.3-77.2-175.3162.8-165.70112.8D934 A1001 K1004D934-K1006 IonicContact OD2-NZ 3.58Å; D934-K1006 PolarHBondContact OD2-NZ 3.28Å; A1001-K1006 PolarHBondContact O-N 3.29Å; K1004-K1006 HydrophobicContact CB-CG 4.28Å; K1004-K1006 PolarHBondContact O-N 3.16Å
1007V52.1Low56.2Low13 Ų1368.5 Ų68.58%0.07940%0.402CS..SBendtrans-131.5121.2-178.4-1790000106.9F951 E952 A1001 G1005 L1009F951-V1007 HydrophobicContact CB-CG2 4.22Å; E952-V1007 HydrophobicContact CG-CB 4.29Å; E952-V1007 HydrophobicContact CG-CG1 3.88Å; E952-V1007 HydrophobicContact CG-CG2 4.06Å; A1001-V1007 HydrophobicContact CB-CG2 3.88Å; G1005-V1007 VanDerWaalsContact C-N 3.35Å; V1007-L1009 PolarHBondContact O-N 2.91Å
1008S46.7Very low55.7Low107 Ų10769.2 Ų69.275%0.74840%0.402SS*.  trans-68.1103.2161.557.20000106.3P1010S1008-P1010 VanDerWaalsContact O-CD 3.25Å; S1008-P1010 WeakPolarHBondContact O-CD 3.31Å
1009L45.5Very low55.6Low86 Ų8673.1 Ų73.145%0.4543%0.431SS..PPolyproline II helixtrans-51.7118.6162.9-85.8157.2000105.5A1002 V1007 G1011A1002-L1009 HydrophobicContact CB-CB 4.45Å; A1002-L1009 HydrophobicContact CB-CD1 3.21Å; A1002-L1009 HydrophobicContact CB-CD2 4.29Å; A1002-L1009 HydrophobicContact CB-CG 3.36Å; V1007-L1009 PolarHBondContact O-N 2.91Å; L1009-G1011 PolarHBondContact O-N 2.84Å
1010P39.1Very low56.1Low97 Ų9768.6 Ų68.663%0.6341%0.41SS*.PPolyproline II helixtrans-54.2123.7159.526.1-29.2000104.4S1008 K1012S1008-P1010 VanDerWaalsContact O-CD 3.25Å; S1008-P1010 WeakPolarHBondContact O-CD 3.31Å; P1010-K1012 PolarHBondContact O-N 3.49Å
1011G35.1Very low56.8Low71 Ų7166.6 Ų66.673%0.73240%0.403SS*.SBendtrans-47.5140.3-164.400000112.9L1009L1009-G1011 PolarHBondContact O-N 2.84Å
1012K37.6Very low57.7Low183 Ų18366.7 Ų66.780%0.79640%0.403SS*.SBendtrans72.4146.6179.6-61.7177.8175.4-179.90114.1P1010P1010-K1012 PolarHBondContact O-N 3.49Å
1013E41.1Very low58.6Low118 Ų11868 Ų6855%0.55141%0.408SS*.SBendtrans-34.1152.1-172.8-56.7179.5143.200114.4C1015E1013-C1015 WeakPolarHBondContact O-CA 3.25Å; E1013-C1015 VanDerWaalsContact O-CB 3.26Å; E1013-C1015 WeakPolarHBondContact O-CB 3.47Å; E1013-C1015 PolarHBondContact O-N 2.85Å
1014L44.9Very low59.4Low30 Ų3070.6 Ų70.616%0.15740%0.404CS..SBendtrans-48.966.5173.6-79.1159.1000114.1N956 K995 M998N956-L1014 PolarHBondContact OD1-O 2.83Å; K995-L1014 HydrophobicContact CB-CD1 4.43Å; K995-L1014 HydrophobicContact CG-CD1 4.2Å; M998-L1014 HydrophobicContact CE-CD1 4.19Å; M998-L1014 HydrophobicContact CE-CD2 3.63Å; M998-L1014 HydrophobicContact CE-CG 4.33Å; M998-L1014 HydrophobicContact SD-CD1 3.88Å; M998-L1014 HydrophobicContact SD-CD2 4.17Å
1015C46.9Very low60.4Low27 Ų2770.6 Ų70.618%0.18241%0.41CS..  trans-148.198.3-165.8-60.40000103.1E1013 E1017 I1033E1013-C1015 WeakPolarHBondContact O-CA 3.25Å; E1013-C1015 VanDerWaalsContact O-CB 3.26Å; E1013-C1015 WeakPolarHBondContact O-CB 3.47Å; E1013-C1015 PolarHBondContact O-N 2.85Å; C1015-E1017 PolarHBondContact O-N 2.96Å; C1015-E1017 VanDerWaalsContact O-N 3.14Å; C1015-I1033 WeakPolarHBondContact CA-O 3.2Å; C1015-I1033 WeakPolarHBondContact CB-O 3.43Å; C1015-I1033 PolarHBondContact SG-O 2.76Å
1016G51.4Low61.6Low16 Ų1673.7 Ų73.717%0.16540%0.404CS..  trans-55.6125.1173.300000108.9F1018G1016-F1018 VanDerWaalsContact C-CE2 3.49Å; G1016-F1018 WeakPolarHBondContact O-CD2 3.36Å; G1016-F1018 WeakPolarHBondContact O-CE2 3.2Å
1017E57.2Low63.1Low121 Ų12173.7 Ų73.757%0.56541%0.409SS*.EExtended strand (participates in β ladder)trans-80.6117.4167.7-176.2171.717800107.2C1015 T1030 H1032C1015-E1017 PolarHBondContact O-N 2.96Å; C1015-E1017 VanDerWaalsContact O-N 3.14Å; E1017-T1030 HydrophobicContact CG-CG2 3.93Å; E1017-T1030 WeakPolarHBondContact OE1-CG2 3.4Å; E1017-H1032 VanDerWaalsContact CB-CE1 3.48Å; E1017-H1032 WeakPolarHBondContact CB-CE1 3.46Å; E1017-H1032 WeakPolarHBondContact CG-CE1 3.46Å; E1017-H1032 IonicContact OE1-CE1 3.46Å; E1017-H1032 IonicContact OE1-NE2 2.87Å; E1017-H1032 IonicContact OE2-CE1 3.73Å; E1017-H1032 PolarHBondContact OE2-CE1 2.83Å
1018F67.4Low64.7Low28 Ų2878.8 Ų78.812%0.12344%0.436CS..EExtended strand (participates in β ladder)trans-116.7126.7-176.8-55-73.5000110.2G1016 I1020 T1030 L1031 I1033 M1086 Y1095G1016-F1018 VanDerWaalsContact C-CE2 3.49Å; G1016-F1018 WeakPolarHBondContact O-CD2 3.36Å; G1016-F1018 WeakPolarHBondContact O-CE2 3.2Å; F1018-I1020 PolarHBondContact O-N 3.1Å; F1018-T1030 WeakPolarHBondContact O-CA 3.34Å; F1018-L1031 HydrophobicContact CB-CB 4.4Å; F1018-L1031 PolarHBondContact N-O 3.46Å; F1018-L1031 PolarHBondContact O-N 2.83Å; F1018-I1033 HydrophobicContact CD2-CD1 4.06Å; F1018-I1033 HydrophobicContact CD2-CG1 4.21Å; F1018-I1033 HydrophobicContact CE2-CD1 3.67Å; F1018-I1033 HydrophobicContact CE2-CG1 4.02Å; F1018-M1086 HydrophobicContact CB-CE 3.87Å; F1018-M1086 HydrophobicContact CB-SD 4.23Å; F1018-M1086 HydrophobicContact CD1-CB 4.44Å; F1018-M1086 HydrophobicContact CD1-CE 4.07Å; F1018-M1086 HydrophobicContact CD1-CG 4.18Å; F1018-M1086 HydrophobicContact CD1-SD 3.27Å; F1018-M1086 WeakPolarHBondContact CD1-SD 3.2Å; F1018-M1086 HydrophobicContact CD2-CE 3.98Å; F1018-M1086 HydrophobicContact CD2-SD 3.82Å; F1018-M1086 HydrophobicContact CE1-CG 4.38Å; F1018-M1086 HydrophobicContact CE1-SD 3.39Å; F1018-M1086 WeakPolarHBondContact CE1-SD 3.36Å; F1018-M1086 HydrophobicContact CE2-SD 3.93Å; F1018-M1086 HydrophobicContact CG-CE 3.7Å; F1018-M1086 HydrophobicContact CG-SD 3.49Å; F1018-M1086 WeakPolarHBondContact CG-SD 3.5Å; F1018-M1086 HydrophobicContact CZ-SD 3.73Å; F1018-Y1095 AromaticContact CE1-CE1 3.86Å; F1018-Y1095 HydrophobicContact CE1-CE1 3.86Å; F1018-Y1095 HydrophobicContact CZ-CD1 4.49Å; F1018-Y1095 AromaticContact CZ-CE1 3.67Å; F1018-Y1095 HydrophobicContact CZ-CE1 3.67Å
1019S75.9Confident66.6Low97 Ų9774.2 Ų74.268%0.67841%0.405SS*.EExtended strand (participates in β ladder)trans-63.6123.9171.5-25.30000109.1S1084S1019-S1084 WeakPolarHBondContact O-CB 3.22Å; S1019-S1084 PolarHBondContact O-OG 3.32Å
1020I84.5Confident68.3Low4 Ų471.9 Ų71.92%0.02139%0.394CS..EExtended strand (participates in β ladder)trans-126.8149.2175.360.9167.6000109.4F1018 G1029 L1031 I1040 F1042 F1065 Y1082 F1083F1018-I1020 PolarHBondContact O-N 3.1Å; I1020-G1029 PolarHBondContact N-O 3Å; I1020-G1029 CarbonylContact O-C 3.59Å; I1020-G1029 PolarHBondContact O-N 3.36Å; I1020-L1031 HydrophobicContact CD1-CB 3.85Å; I1020-L1031 HydrophobicContact CG1-CB 4.19Å; I1020-L1031 HydrophobicContact CG2-CB 3.63Å; I1020-L1031 HydrophobicContact CG2-CD2 4.33Å; I1020-I1040 HydrophobicContact CD1-CG2 3.76Å; I1020-F1042 HydrophobicContact CD1-CZ 3.97Å; I1020-F1042 HydrophobicContact CG1-CZ 4.34Å; I1020-F1065 HydrophobicContact CG2-CE1 3.93Å; I1020-F1065 HydrophobicContact CG2-CZ 4.05Å; I1020-Y1082 HydrophobicContact CD1-CD1 3.99Å; I1020-Y1082 HydrophobicContact CD1-CE1 4.23Å; I1020-Y1082 HydrophobicContact CD1-CG 4.35Å; I1020-F1083 CarbonylContact C-O 3.49Å; I1020-F1083 WeakPolarHBondContact CA-O 3.49Å
1021Q86.7Confident70.2Confident57 Ų5767.3 Ų67.327%0.26637%0.365SS..EExtended strand (participates in β ladder)trans-123.4124.3170.6-179.2-179.841.400108.3I1023 K1026 L1027 N1028 Y1082 F1083Q1021-I1023 PolarHBondContact O-N 3.26Å; Q1021-K1026 PolarHBondContact NE2-O 3.34Å; Q1021-K1026 VanDerWaalsContact NE2-O 3.13Å; Q1021-L1027 WeakPolarHBondContact CA-O 3.11Å; Q1021-N1028 WeakPolarHBondContact CG-OD1 3.29Å; Q1021-N1028 PolarHBondContact NE2-OD1 2.62Å; Q1021-Y1082 CarbonylContact O-C 3.54Å; Q1021-Y1082 VanDerWaalsContact O-CA 3.26Å; Q1021-Y1082 WeakPolarHBondContact O-CA 3.32Å; Q1021-F1083 HydrophobicContact CB-CB 4.29Å; Q1021-F1083 PolarHBondContact N-O 3.12Å; Q1021-F1083 PolarHBondContact O-N 3.42Å
1022D87.2Confident71.9Confident1 Ų165.5 Ų65.51%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-68.3126.1173.4-171-35.1000109.1E1024 T1025 K1026 L1027 F1042 R1080 Y1082D1022-E1024 VanDerWaalsContact C-N 3.33Å; D1022-E1024 PolarHBondContact OD1-N 3.2Å; D1022-T1025 VanDerWaalsContact CB-OG1 3.25Å; D1022-T1025 WeakPolarHBondContact CB-OG1 3.46Å; D1022-T1025 PolarHBondContact OD1-N 2.87Å; D1022-K1026 WeakPolarHBondContact O-CA 3.16Å; D1022-K1026 PolarHBondContact O-N 2.92Å; D1022-L1027 PolarHBondContact N-O 3.41Å; D1022-F1042 HydrophobicContact CB-CE1 3.93Å; D1022-F1042 HydrophobicContact CB-CZ 3.76Å; D1022-R1080 IonicContact OD2-CZ 2.79Å; D1022-R1080 IonicContact OD2-NE 2.9Å; D1022-R1080 IonicContact OD2-NH1 3.61Å; D1022-R1080 PolarHBondContact OD2-NH1 3.2Å; D1022-Y1082 HydrophobicContact CB-CD1 4.04Å; D1022-Y1082 HydrophobicContact CB-CE1 3.92Å
1023I86.5Confident73.3Confident44 Ų4457.1 Ų57.123%0.22630%0.301CS..THydrogen-bonded Turntrans-70.7-33.9-173.9-67.4-169.8000111.8Q1021 K1026 I1064 K1081 F1083Q1021-I1023 PolarHBondContact O-N 3.26Å; I1023-K1026 WeakPolarHBondContact O-CE 3.47Å; I1023-I1064 HydrophobicContact CD1-CB 4.06Å; I1023-I1064 HydrophobicContact CD1-CD1 3.57Å; I1023-I1064 HydrophobicContact CD1-CG1 3.61Å; I1023-I1064 HydrophobicContact CD1-CG2 3.31Å; I1023-K1081 HydrophobicContact CB-CB 4.12Å; I1023-K1081 WeakPolarHBondContact CB-O 3.46Å; I1023-K1081 HydrophobicContact CD1-CB 3.85Å; I1023-K1081 HydrophobicContact CG1-CB 4.17Å; I1023-K1081 WeakPolarHBondContact CG1-O 3.45Å; I1023-K1081 PolarHBondContact N-O 3.45Å; I1023-F1083 HydrophobicContact CG1-CB 4.36Å
1024E84.9Confident74.3Confident144 Ų14453.5 Ų53.567%0.67328%0.284SS*.THydrogen-bonded Turntrans-79-48.5-176.6-69.9-179.1178.500110.6D1022D1022-E1024 VanDerWaalsContact C-N 3.33Å; D1022-E1024 PolarHBondContact OD1-N 3.2Å
1025T84.7Confident74.8Confident72 Ų7255.5 Ų55.544%0.44229%0.294SS..THydrogen-bonded Turntrans-87.7-14.3-176.965.50000113.5D1022 L1027D1022-T1025 VanDerWaalsContact CB-OG1 3.25Å; D1022-T1025 WeakPolarHBondContact CB-OG1 3.46Å; D1022-T1025 PolarHBondContact OD1-N 2.87Å; T1025-L1027 PolarHBondContact O-N 3.38Å; T1025-L1027 VanDerWaalsContact O-N 3.11Å; T1025-L1027 PolarHBondContact OG1-N 2.91Å
1026K85Confident75.4Confident131 Ų13158.1 Ų58.157%0.5731%0.307SS*.  trans60.78.8-173.2-58.4-62.7-175.3-174.80114.8Q1021 D1022 I1023Q1021-K1026 PolarHBondContact NE2-O 3.34Å; Q1021-K1026 VanDerWaalsContact NE2-O 3.13Å; D1022-K1026 WeakPolarHBondContact O-CA 3.16Å; D1022-K1026 PolarHBondContact O-N 2.92Å; I1023-K1026 WeakPolarHBondContact O-CE 3.47Å
1027L84.4Confident76.3Confident100 Ų10057.4 Ų57.452%0.52430%0.299SS..  trans-72.5136177.3-70.1168.6000110.4Q1021 D1022 T1025 F1042Q1021-L1027 WeakPolarHBondContact CA-O 3.11Å; D1022-L1027 PolarHBondContact N-O 3.41Å; T1025-L1027 PolarHBondContact O-N 3.38Å; T1025-L1027 VanDerWaalsContact O-N 3.11Å; T1025-L1027 PolarHBondContact OG1-N 2.91Å; L1027-F1042 HydrophobicContact CB-CD1 3.79Å; L1027-F1042 HydrophobicContact CB-CE1 4.35Å; L1027-F1042 HydrophobicContact CB-CG 4.49Å; L1027-F1042 VanDerWaalsContact O-CE1 3.29Å; L1027-F1042 WeakPolarHBondContact O-CE1 3.46Å
1028N86.5Confident77.3Confident121 Ų12151.6 Ų51.665%0.64727%0.272SS*.EExtended strand (participates in β ladder)trans-85.2137.2170.8-66.7-25.3000108.7Q1021Q1021-N1028 WeakPolarHBondContact CG-OD1 3.29Å; Q1021-N1028 PolarHBondContact NE2-OD1 2.62Å
1029G85.5Confident78Confident10 Ų1050.6 Ų50.610%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-148.5-177.4-178.500000111.7I1020 S1041I1020-G1029 PolarHBondContact N-O 3Å; I1020-G1029 CarbonylContact O-C 3.59Å; I1020-G1029 PolarHBondContact O-N 3.36Å; G1029-S1041 CarbonylContact C-O 3.49Å; G1029-S1041 WeakPolarHBondContact CA-O 3.3Å
1030T83.1Confident78.5Confident37 Ų3746 Ų4623%0.22724%0.236CC..EExtended strand (participates in β ladder)trans-123136.5178.341.80000109.9E1017 F1018 S1041E1017-T1030 HydrophobicContact CG-CG2 3.93Å; E1017-T1030 WeakPolarHBondContact OE1-CG2 3.4Å; F1018-T1030 WeakPolarHBondContact O-CA 3.34Å; T1030-S1041 PolarHBondContact N-O 2.87Å; T1030-S1041 PolarHBondContact O-N 3.11Å; T1030-S1041 PolarHBondContact O-OG 3.5Å; T1030-S1041 PolarHBondContact OG1-OG 2.78Å
1031L77.9Confident78.6Confident1 Ų146.4 Ų46.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-105.9117.4173.5177.475.2000107.5F1018 I1020 I1033 L1038 I1040 F1065 M1086F1018-L1031 HydrophobicContact CB-CB 4.4Å; F1018-L1031 PolarHBondContact N-O 3.46Å; F1018-L1031 PolarHBondContact O-N 2.83Å; I1020-L1031 HydrophobicContact CD1-CB 3.85Å; I1020-L1031 HydrophobicContact CG1-CB 4.19Å; I1020-L1031 HydrophobicContact CG2-CB 3.63Å; I1020-L1031 HydrophobicContact CG2-CD2 4.33Å; L1031-I1033 HydrophobicContact CD2-CD1 4.4Å; L1031-I1033 HydrophobicContact CD2-CG1 4.22Å; L1031-I1033 HydrophobicContact CG-CG1 4.28Å; L1031-L1038 HydrophobicContact CD1-CB 4.21Å; L1031-L1038 HydrophobicContact CD1-CD1 4.37Å; L1031-L1038 HydrophobicContact CD1-CD2 4.14Å; L1031-L1038 HydrophobicContact CD1-CG 4.49Å; L1031-I1040 HydrophobicContact CD1-CD1 4.12Å; L1031-I1040 HydrophobicContact CD1-CG1 3.62Å; L1031-F1065 HydrophobicContact CD2-CZ 4.06Å; L1031-M1086 HydrophobicContact CD2-CE 4.4Å
1032H71.7Confident78.5Confident33 Ų3344.5 Ų44.515%0.15323%0.23CC..EExtended strand (participates in β ladder)trans-104.8126.3166.9-60.9-96.7000109.8E1017 V1039E1017-H1032 VanDerWaalsContact CB-CE1 3.48Å; E1017-H1032 WeakPolarHBondContact CB-CE1 3.46Å; E1017-H1032 WeakPolarHBondContact CG-CE1 3.46Å; E1017-H1032 IonicContact OE1-CE1 3.46Å; E1017-H1032 IonicContact OE1-NE2 2.87Å; E1017-H1032 IonicContact OE2-CE1 3.73Å; E1017-H1032 PolarHBondContact OE2-CE1 2.83Å; H1032-V1039 HydrophobicContact CB-CB 4.1Å; H1032-V1039 PolarHBondContact N-O 2.85Å; H1032-V1039 PolarHBondContact O-N 3.28Å
1033I66.2Low78.2Confident8 Ų847.8 Ų47.84%0.04126%0.264CS..EExtended strand (participates in β ladder)trans-96.5115179.4-55-176.7000108.7C1015 F1018 L1031 L1038 C1099C1015-I1033 WeakPolarHBondContact CA-O 3.2Å; C1015-I1033 WeakPolarHBondContact CB-O 3.43Å; C1015-I1033 PolarHBondContact SG-O 2.76Å; F1018-I1033 HydrophobicContact CD2-CD1 4.06Å; F1018-I1033 HydrophobicContact CD2-CG1 4.21Å; F1018-I1033 HydrophobicContact CE2-CD1 3.67Å; F1018-I1033 HydrophobicContact CE2-CG1 4.02Å; L1031-I1033 HydrophobicContact CD2-CD1 4.4Å; L1031-I1033 HydrophobicContact CD2-CG1 4.22Å; L1031-I1033 HydrophobicContact CG-CG1 4.28Å; I1033-L1038 HydrophobicContact CB-CD2 4.3Å; I1033-L1038 HydrophobicContact CG1-CD2 3.94Å; I1033-L1038 HydrophobicContact CG2-CD2 4.17Å; I1033-C1099 HydrophobicContact CD1-CB 3.49Å; I1033-C1099 VanDerWaalsContact CD1-CB 3.49Å; I1033-C1099 HydrophobicContact CG2-CB 4.04Å
1034Q61.7Low77.7Confident42 Ų4253.9 Ų53.920%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-108.2167.2178.4-67.1-179.2-18.300111.5N1036 G1037 V1039 L1103Q1034-N1036 PolarHBondContact O-N 2.75Å; Q1034-G1037 CarbonylContact C-O 3.57Å; Q1034-G1037 WeakPolarHBondContact CA-O 3.49Å; Q1034-G1037 PolarHBondContact N-O 3.03Å; Q1034-V1039 HydrophobicContact CG-CG2 4.46Å; Q1034-L1103 WeakPolarHBondContact O-CD1 3.43Å
1035I54.9Low77.3Confident72 Ų7252 Ų5237%0.36929%0.292SS..THydrogen-bonded Turntrans-67.2-18.7-179.2-153.8-178.1000113.3Y991 L1103Y991-I1035 HydrophobicContact CD1-CD1 4.19Å; Y991-I1035 HydrophobicContact CE1-CD1 3.51Å; Y991-I1035 HydrophobicContact CE1-CG1 4.2Å; I1035-L1103 HydrophobicContact CG1-CD2 4.21Å; I1035-L1103 WeakPolarHBondContact O-CD2 3.17Å
1036N60.2Low77.3Confident82 Ų8255.1 Ų55.144%0.43930%0.301SS..THydrogen-bonded Turntrans-116.8-2.4-170.840-37.5000112.7Q1034 F1048 L1051Q1034-N1036 PolarHBondContact O-N 2.75Å; N1036-F1048 HydrophobicContact CB-CZ 4.31Å; N1036-L1051 PolarHBondContact O-N 2.92Å
1037G70.3Confident77.2Confident0 Ų053.3 Ų53.30%029%0.291CS..EExtended strand (participates in β ladder)trans166-166.2-17600000113.8Q1034 I1049Q1034-G1037 CarbonylContact C-O 3.57Å; Q1034-G1037 WeakPolarHBondContact CA-O 3.49Å; Q1034-G1037 PolarHBondContact N-O 3.03Å; G1037-I1049 CarbonylContact C-O 3.39Å; G1037-I1049 WeakPolarHBondContact CA-O 3.48Å
1038L78.8Confident77.2Confident0 Ų052.1 Ų52.10%028%0.282CS..EExtended strand (participates in β ladder)trans-115.3134.9172.2-60.1171.4000108.8L1031 I1033 F1048 I1049 I1054 L1067 L1100L1031-L1038 HydrophobicContact CD1-CB 4.21Å; L1031-L1038 HydrophobicContact CD1-CD1 4.37Å; L1031-L1038 HydrophobicContact CD1-CD2 4.14Å; L1031-L1038 HydrophobicContact CD1-CG 4.49Å; I1033-L1038 HydrophobicContact CB-CD2 4.3Å; I1033-L1038 HydrophobicContact CG1-CD2 3.94Å; I1033-L1038 HydrophobicContact CG2-CD2 4.17Å; L1038-F1048 CarbonylContact O-C 3.58Å; L1038-F1048 WeakPolarHBondContact O-CA 3.38Å; L1038-I1049 HydrophobicContact CB-CB 4.37Å; L1038-I1049 PolarHBondContact N-O 3.29Å; L1038-I1049 PolarHBondContact O-N 3.19Å; L1038-I1054 HydrophobicContact CD1-CD1 3.61Å; L1038-I1054 HydrophobicContact CG-CD1 3.89Å; L1038-L1067 HydrophobicContact CD1-CD1 3.71Å; L1038-L1067 HydrophobicContact CD1-CD2 3.76Å; L1038-L1067 HydrophobicContact CD1-CG 4.41Å; L1038-L1100 HydrophobicContact CD1-CD1 4.01Å; L1038-L1100 HydrophobicContact CD1-CD2 3.75Å; L1038-L1100 HydrophobicContact CD1-CG 4.36Å; L1038-L1100 HydrophobicContact CD2-CD1 4.33Å; L1038-L1100 HydrophobicContact CD2-CD2 3.96Å; L1038-L1100 HydrophobicContact CD2-CG 4.19Å; L1038-L1100 HydrophobicContact CG-CD2 3.93Å
1039V81.1Confident77.1Confident7 Ų746.8 Ų46.84%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-99.1127.8163.4171.60000107.1H1032 Q1034 E1046 F1048H1032-V1039 HydrophobicContact CB-CB 4.1Å; H1032-V1039 PolarHBondContact N-O 2.85Å; H1032-V1039 PolarHBondContact O-N 3.28Å; Q1034-V1039 HydrophobicContact CG-CG2 4.46Å; V1039-E1046 HydrophobicContact CG1-CG 3.49Å; V1039-E1046 VanDerWaalsContact CG1-CG 3.49Å; V1039-E1046 WeakPolarHBondContact CG1-OE1 3.09Å; V1039-F1048 HydrophobicContact CG2-CD2 3.63Å; V1039-F1048 HydrophobicContact CG2-CE2 4.27Å
1040I86.3Confident76.6Confident0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-119.9126.2173.8-59.1-179.2000107.9I1020 L1031 F1042 W1047 I1049 L1067 Y1082I1020-I1040 HydrophobicContact CD1-CG2 3.76Å; L1031-I1040 HydrophobicContact CD1-CD1 4.12Å; L1031-I1040 HydrophobicContact CD1-CG1 3.62Å; I1040-F1042 HydrophobicContact CG2-CD2 3.82Å; I1040-F1042 HydrophobicContact CG2-CE2 3.27Å; I1040-F1042 HydrophobicContact CG2-CZ 3.97Å; I1040-W1047 PolarHBondContact N-O 2.91Å; I1040-W1047 PolarHBondContact O-N 2.94Å; I1040-I1049 HydrophobicContact CD1-CD1 3.66Å; I1040-I1049 HydrophobicContact CG1-CD1 4.38Å; I1040-L1067 HydrophobicContact CD1-CD2 4Å; I1040-Y1082 HydrophobicContact CD1-CE2 4.08Å
1041S86.4Confident75.9Confident13 Ų1350.2 Ų50.29%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-122.3129.1-179.330.80000111G1029 T1030 D1045G1029-S1041 CarbonylContact C-O 3.49Å; G1029-S1041 WeakPolarHBondContact CA-O 3.3Å; T1030-S1041 PolarHBondContact N-O 2.87Å; T1030-S1041 PolarHBondContact O-N 3.11Å; T1030-S1041 PolarHBondContact O-OG 3.5Å; T1030-S1041 PolarHBondContact OG1-OG 2.78Å; S1041-D1045 CarbonylContact C-O 3.58Å; S1041-D1045 WeakPolarHBondContact CA-O 3.32Å
1042F86.3Confident75.5Confident16 Ų1653.9 Ų53.97%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-126.499.3173.1-71.4-76.2000109.2I1020 D1022 L1027 I1040 D1044 D1045 W1047 Y1082I1020-F1042 HydrophobicContact CD1-CZ 3.97Å; I1020-F1042 HydrophobicContact CG1-CZ 4.34Å; D1022-F1042 HydrophobicContact CB-CE1 3.93Å; D1022-F1042 HydrophobicContact CB-CZ 3.76Å; L1027-F1042 HydrophobicContact CB-CD1 3.79Å; L1027-F1042 HydrophobicContact CB-CE1 4.35Å; L1027-F1042 HydrophobicContact CB-CG 4.49Å; L1027-F1042 VanDerWaalsContact O-CE1 3.29Å; L1027-F1042 WeakPolarHBondContact O-CE1 3.46Å; I1040-F1042 HydrophobicContact CG2-CD2 3.82Å; I1040-F1042 HydrophobicContact CG2-CE2 3.27Å; I1040-F1042 HydrophobicContact CG2-CZ 3.97Å; F1042-D1044 PolarHBondContact O-N 3.1Å; F1042-D1045 PolarHBondContact N-O 3.14Å; F1042-D1045 PolarHBondContact O-N 3.46Å; F1042-W1047 HydrophobicContact CD2-CH2 4.35Å; F1042-W1047 AromaticContact CD2-CZ2 3.73Å; F1042-W1047 HydrophobicContact CD2-CZ2 3.73Å; F1042-W1047 HydrophobicContact CE2-CZ2 4.31Å; F1042-Y1082 AromaticContact CE2-CE1 3.93Å; F1042-Y1082 HydrophobicContact CE2-CE1 3.93Å; F1042-Y1082 HydrophobicContact CZ-CD1 4.05Å; F1042-Y1082 AromaticContact CZ-CE1 3.55Å; F1042-Y1082 HydrophobicContact CZ-CE1 3.55Å
1043G79.7Confident75.8Confident71 Ų7152.4 Ų52.473%0.73229%0.288SS*.THydrogen-bonded Turntrans67.8-124.2-171.600000110.9
1044D76.1Confident76.4Confident172 Ų17252.3 Ų52.392%0.9229%0.287SS*.THydrogen-bonded Turntrans-86.9-11.5178-64.4-35.2000113.2F1042F1042-D1044 PolarHBondContact O-N 3.1Å
1045D77.2Confident77.2Confident105 Ų10556 Ų5656%0.56130%0.303SS*.EExtended strand (participates in β ladder)trans-88.6115.2-178.7-73.6-34.3000110.9S1041 F1042 W1047S1041-D1045 CarbonylContact C-O 3.58Å; S1041-D1045 WeakPolarHBondContact CA-O 3.32Å; F1042-D1045 PolarHBondContact N-O 3.14Å; F1042-D1045 PolarHBondContact O-N 3.46Å; D1045-W1047 HydrophobicContact CB-CE3 4.19Å; D1045-W1047 HydrophobicContact CB-CH2 4.1Å; D1045-W1047 HydrophobicContact CB-CZ3 3.52Å
1046E84.1Confident78Confident136 Ų13657.1 Ų57.164%0.63631%0.305SS*.EExtended strand (participates in β ladder)trans-121.2130.6179.5-170-178.2155.800110V1039V1039-E1046 HydrophobicContact CG1-CG 3.49Å; V1039-E1046 VanDerWaalsContact CG1-CG 3.49Å; V1039-E1046 WeakPolarHBondContact CG1-OE1 3.09Å
1047W83.8Confident78.5Confident94 Ų9453.4 Ų53.436%0.35629%0.285SS..EExtended strand (participates in β ladder)trans-138144174.643.771.4000112.4I1040 F1042 D1045I1040-W1047 PolarHBondContact N-O 2.91Å; I1040-W1047 PolarHBondContact O-N 2.94Å; F1042-W1047 HydrophobicContact CD2-CH2 4.35Å; F1042-W1047 AromaticContact CD2-CZ2 3.73Å; F1042-W1047 HydrophobicContact CD2-CZ2 3.73Å; F1042-W1047 HydrophobicContact CE2-CZ2 4.31Å; D1045-W1047 HydrophobicContact CB-CE3 4.19Å; D1045-W1047 HydrophobicContact CB-CH2 4.1Å; D1045-W1047 HydrophobicContact CB-CZ3 3.52Å
1048F84.5Confident78.2Confident75 Ų7556.2 Ų56.233%0.32930%0.301SS..EExtended strand (participates in β ladder)trans-101.9124.7-176.3-177.4-108.3000111.2N1036 L1038 V1039 H1050N1036-F1048 HydrophobicContact CB-CZ 4.31Å; L1038-F1048 CarbonylContact O-C 3.58Å; L1038-F1048 WeakPolarHBondContact O-CA 3.38Å; V1039-F1048 HydrophobicContact CG2-CD2 3.63Å; V1039-F1048 HydrophobicContact CG2-CE2 4.27Å; F1048-H1050 AromaticContact CD1-CD2 3.88Å; F1048-H1050 AromaticContact CD1-NE2 3.98Å; F1048-H1050 HydrophobicContact CE1-CB 4.41Å; F1048-H1050 AromaticContact CE1-CD2 3.73Å; F1048-H1050 AromaticContact CE1-CE1 3.57Å; F1048-H1050 AromaticContact CE1-CG 3.65Å; F1048-H1050 AromaticContact CE1-ND1 3.54Å; F1048-H1050 AromaticContact CE1-NE2 3.68Å
1049I83.2Confident77.5Confident8 Ų858.8 Ų58.84%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-103106.4175.4-55.6171.8000107.4G1037 L1038 I1040 I1054 L1067 F1069G1037-I1049 CarbonylContact C-O 3.39Å; G1037-I1049 WeakPolarHBondContact CA-O 3.48Å; L1038-I1049 HydrophobicContact CB-CB 4.37Å; L1038-I1049 PolarHBondContact N-O 3.29Å; L1038-I1049 PolarHBondContact O-N 3.19Å; I1040-I1049 HydrophobicContact CD1-CD1 3.66Å; I1040-I1049 HydrophobicContact CG1-CD1 4.38Å; I1049-I1054 HydrophobicContact CG2-CD1 4.1Å; I1049-I1054 HydrophobicContact CG2-CG1 3.62Å; I1049-L1067 HydrophobicContact CD1-CD2 3.71Å; I1049-F1069 HydrophobicContact CD1-CD1 3.87Å; I1049-F1069 HydrophobicContact CD1-CD2 4.12Å; I1049-F1069 HydrophobicContact CD1-CE1 3.69Å; I1049-F1069 HydrophobicContact CD1-CE2 3.96Å; I1049-F1069 HydrophobicContact CD1-CG 4.07Å; I1049-F1069 HydrophobicContact CD1-CZ 3.74Å; I1049-F1069 HydrophobicContact CG1-CD2 4.21Å; I1049-F1069 HydrophobicContact CG1-CE2 4.14Å; I1049-F1069 HydrophobicContact CG1-CZ 4.38Å; I1049-F1069 HydrophobicContact CG2-CB 3.79Å; I1049-F1069 HydrophobicContact CG2-CD2 3.94Å; I1049-F1069 HydrophobicContact CG2-CG 3.85Å
1050H75.5Confident76.7Confident99 Ų9962 Ų6246%0.45834%0.339SS..EExtended strand (participates in β ladder)trans-57143173.2-91.1-77.2000110.6F1048 A1052 S1053F1048-H1050 AromaticContact CD1-CD2 3.88Å; F1048-H1050 AromaticContact CD1-NE2 3.98Å; F1048-H1050 HydrophobicContact CE1-CB 4.41Å; F1048-H1050 AromaticContact CE1-CD2 3.73Å; F1048-H1050 AromaticContact CE1-CE1 3.57Å; F1048-H1050 AromaticContact CE1-CG 3.65Å; F1048-H1050 AromaticContact CE1-ND1 3.54Å; F1048-H1050 AromaticContact CE1-NE2 3.68Å; H1050-A1052 VanDerWaalsContact C-N 3.27Å; H1050-A1052 PolarHBondContact O-N 3.24Å; H1050-S1053 VanDerWaalsContact CB-OG 3.24Å; H1050-S1053 WeakPolarHBondContact CB-OG 3.39Å; H1050-S1053 WeakPolarHBondContact O-CB 3.4Å; H1050-S1053 PolarHBondContact O-N 3.02Å; H1050-S1053 PolarHBondContact O-OG 2.98Å
1051L68.1Low75.7Confident20 Ų2064.2 Ų64.211%0.10536%0.362CS..G310 helixtrans-63.1-36.2-175.7-153.4108.1000113.3N1036 S1053 I1054 L1103 Y1104N1036-L1051 PolarHBondContact O-N 2.92Å; L1051-S1053 PolarHBondContact O-N 3.38Å; L1051-S1053 VanDerWaalsContact O-N 3.16Å; L1051-I1054 PolarHBondContact O-N 3.4Å; L1051-L1103 HydrophobicContact CD1-CB 3.31Å; L1051-L1103 HydrophobicContact CD1-CD1 3.34Å; L1051-L1103 HydrophobicContact CD1-CG 3.86Å; L1051-L1103 VanDerWaalsContact CD2-C 3.47Å; L1051-L1103 HydrophobicContact CD2-CB 3.25Å; L1051-L1103 WeakPolarHBondContact CD2-O 3.44Å; L1051-L1103 HydrophobicContact CG-CB 3.81Å; L1051-Y1104 HydrophobicContact CD2-CD2 4.07Å; L1051-Y1104 HydrophobicContact CD2-CE2 4.32Å; L1051-Y1104 VanDerWaalsContact O-CE2 3.26Å; L1051-Y1104 WeakPolarHBondContact O-CE2 3.46Å
1052A70.1Confident74.9Confident78 Ų7866.5 Ų66.565%0.64539%0.387SS*.G310 helixtrans-63.5-17.9177.400000113.5H1050 Y1104H1050-A1052 VanDerWaalsContact C-N 3.27Å; H1050-A1052 PolarHBondContact O-N 3.24Å; A1052-Y1104 PolarHBondContact O-OH 3.26Å
1053S77.8Confident74.3Confident2 Ų267.9 Ų67.91%0.01440%0.396CS..G310 helixtrans-83-24.7-179.1-34.10000111.7H1050 L1051 K1055 F1069 L1070 H1072H1050-S1053 VanDerWaalsContact CB-OG 3.24Å; H1050-S1053 WeakPolarHBondContact CB-OG 3.39Å; H1050-S1053 WeakPolarHBondContact O-CB 3.4Å; H1050-S1053 PolarHBondContact O-N 3.02Å; H1050-S1053 PolarHBondContact O-OG 2.98Å; L1051-S1053 PolarHBondContact O-N 3.38Å; L1051-S1053 VanDerWaalsContact O-N 3.16Å; S1053-K1055 PolarHBondContact O-N 3.35Å; S1053-F1069 CarbonylContact O-C 3.53Å; S1053-F1069 VanDerWaalsContact O-CA 3.25Å; S1053-F1069 WeakPolarHBondContact O-CA 3.31Å; S1053-L1070 WeakPolarHBondContact CB-O 3.35Å; S1053-L1070 PolarHBondContact O-N 2.6Å; S1053-H1072 PolarHBondContact OG-CE1 3.23Å; S1053-H1072 VanDerWaalsContact OG-CE1 3.27Å; S1053-H1072 PolarHBondContact OG-NE2 3.45Å
1054I77.6Confident74.2Confident6 Ų666.6 Ų66.63%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-76.2113.2-174.3-56176000109.5L1038 I1049 L1051 L1067 E1068 F1069 L1100 Y1104L1038-I1054 HydrophobicContact CD1-CD1 3.61Å; L1038-I1054 HydrophobicContact CG-CD1 3.89Å; I1049-I1054 HydrophobicContact CG2-CD1 4.1Å; I1049-I1054 HydrophobicContact CG2-CG1 3.62Å; L1051-I1054 PolarHBondContact O-N 3.4Å; I1054-L1067 HydrophobicContact CG2-CD1 4.05Å; I1054-E1068 CarbonylContact C-O 3.54Å; I1054-F1069 HydrophobicContact CG1-CB 4.29Å; I1054-L1100 HydrophobicContact CD1-CD2 3.34Å; I1054-L1100 HydrophobicContact CG2-CD2 4.4Å; I1054-Y1104 HydrophobicContact CB-CE2 4.39Å; I1054-Y1104 WeakPolarHBondContact O-CE2 3.42Å; I1054-Y1104 VanDerWaalsContact O-CZ 3.27Å; I1054-Y1104 PolarHBondContact O-OH 2.83Å
1055K78.7Confident74.2Confident121 Ų12158.4 Ų58.453%0.52633%0.328SS..EExtended strand (participates in β ladder)trans-89.9-34-179.2-61.6-58.1-174.3-173.90112.8S1053 E1068 L1077S1053-K1055 PolarHBondContact O-N 3.35Å; K1055-E1068 PolarHBondContact N-O 2.79Å; K1055-L1077 HydrophobicContact CG-CD1 4.04Å
1056K71.6Confident74.4Confident94 Ų9454.3 Ų54.341%0.40931%0.306SS..EExtended strand (participates in β ladder)trans-152.1140.5-176.8-155180-176173.50110.3N1058 E1068K1056-N1058 WeakPolarHBondContact CE-ND2 3.46Å; K1056-E1068 HydrophobicContact CB-CB 3.63Å; K1056-E1068 HydrophobicContact CB-CG 4.4Å; K1056-E1068 WeakPolarHBondContact CB-OE2 3.39Å; K1056-E1068 WeakPolarHBondContact CD-OE2 3.29Å; K1056-E1068 PolarHBondContact N-O 3.32Å; K1056-E1068 VanDerWaalsContact N-O 3.09Å; K1056-E1068 PolarHBondContact O-N 2.97Å
1057C70.9Confident74.4Confident4 Ų447.8 Ų47.83%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-141.1113.3166.1-172.50000109.8L1066 L1067 V1096 F1097 L1100C1057-L1066 CarbonylContact C-O 3.56Å; C1057-L1066 WeakPolarHBondContact CA-O 3.15Å; C1057-L1066 PolarHBondContact SG-O 3.06Å; C1057-L1067 HydrophobicContact CB-CD1 4Å; C1057-V1096 VanDerWaalsContact SG-CG1 3.54Å; C1057-F1097 WeakPolarHBondContact O-CD2 3.43Å; C1057-F1097 WeakPolarHBondContact O-CE2 3.15Å; C1057-F1097 WeakPolarHBondContact O-CZ 3.26Å; C1057-L1100 HydrophobicContact CB-CD1 4.01Å; C1057-L1100 VanDerWaalsContact SG-CD1 3.52Å
1058N63.9Low74.5Confident60 Ų6044.8 Ų44.832%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-127.5138.7-174.2-76.93.6000113.1K1056 F1065 L1066 F1097K1056-N1058 WeakPolarHBondContact CE-ND2 3.46Å; N1058-F1065 CarbonylContact O-C 3.53Å; N1058-F1065 WeakPolarHBondContact O-CA 3.42Å; N1058-L1066 PolarHBondContact N-O 3.02Å; N1058-L1066 WeakPolarHBondContact O-CB 3.47Å; N1058-L1066 PolarHBondContact O-N 2.66Å; N1058-F1097 VanDerWaalsContact CA-CE2 3.44Å; N1058-F1097 HydrophobicContact CB-CE2 4.17Å; N1058-F1097 WeakPolarHBondContact OD1-CZ 3.46Å
1059T65Low74.6Confident54 Ų5442.1 Ų42.133%0.33125%0.253SS..EExtended strand (participates in β ladder)trans-78.4142.6166.451.10000110.3I1064 F1065 V1087 F1097T1059-I1064 WeakPolarHBondContact CA-O 3.07Å; T1059-F1065 HydrophobicContact CG2-CB 4.37Å; T1059-V1087 HydrophobicContact CG2-CG1 3.98Å; T1059-F1097 HydrophobicContact CG2-CD2 4.49Å
1060S65Low74.6Confident73 Ų7343.6 Ų43.651%0.5126%0.261SS..  trans-118.619-176.7510000114.1I1064S1060-I1064 PolarHBondContact N-O 2.8Å; S1060-I1064 VanDerWaalsContact OG-CG2 3.25Å; S1060-I1064 WeakPolarHBondContact OG-CG2 3.48Å; S1060-I1064 PolarHBondContact OG-O 2.89Å
1061G64.3Low74.9Confident47 Ų4740.9 Ų40.949%0.48525%0.25SS..SBendtrans73165.7-172.900000112.1N1063 I1064G1061-N1063 VanDerWaalsContact C-N 3.34Å; G1061-N1063 PolarHBondContact O-N 3.44Å; G1061-I1064 PolarHBondContact O-N 2.89Å
1062G69.3Low75.4Confident61 Ų6145.2 Ų45.263%0.62927%0.27SS*.THydrogen-bonded Turntrans64.331.617600000115.3I1064G1062-I1064 VanDerWaalsContact C-N 3.31Å; G1062-I1064 PolarHBondContact O-N 3.02Å
1063N74.6Confident75.7Confident46 Ų4647.3 Ų47.325%0.24628%0.278CS..THydrogen-bonded Turntrans67.723.2-178.4-56-18.6000115.8G1061 F1083 S1084 V1087 S1088G1061-N1063 VanDerWaalsContact C-N 3.34Å; G1061-N1063 PolarHBondContact O-N 3.44Å; N1063-F1083 HydrophobicContact CB-CD2 4.01Å; N1063-F1083 HydrophobicContact CB-CE2 3.59Å; N1063-F1083 HydrophobicContact CB-CZ 4.12Å; N1063-F1083 WeakPolarHBondContact O-CA 3.37Å; N1063-S1084 PolarHBondContact O-N 2.83Å; N1063-V1087 HydrophobicContact CB-CB 4.33Å; N1063-S1088 WeakPolarHBondContact ND2-CB 3.47Å; N1063-S1088 WeakPolarHBondContact OD1-CA 3.48Å; N1063-S1088 WeakPolarHBondContact OD1-CB 3.3Å; N1063-S1088 PolarHBondContact OD1-N 2.98Å
1064I76.7Confident75.8Confident43 Ų4350.9 Ų50.922%0.22130%0.3CS..EExtended strand (participates in β ladder)trans-110.9134.5-176.4-58.5167.7000110.6I1023 T1059 S1060 G1061 G1062 K1081 Y1082 F1083I1023-I1064 HydrophobicContact CD1-CB 4.06Å; I1023-I1064 HydrophobicContact CD1-CD1 3.57Å; I1023-I1064 HydrophobicContact CD1-CG1 3.61Å; I1023-I1064 HydrophobicContact CD1-CG2 3.31Å; T1059-I1064 WeakPolarHBondContact CA-O 3.07Å; S1060-I1064 PolarHBondContact N-O 2.8Å; S1060-I1064 VanDerWaalsContact OG-CG2 3.25Å; S1060-I1064 WeakPolarHBondContact OG-CG2 3.48Å; S1060-I1064 PolarHBondContact OG-O 2.89Å; G1061-I1064 PolarHBondContact O-N 2.89Å; G1062-I1064 VanDerWaalsContact C-N 3.31Å; G1062-I1064 PolarHBondContact O-N 3.02Å; I1064-K1081 HydrophobicContact CG2-CB 4.23Å; I1064-Y1082 CarbonylContact C-O 3.56Å; I1064-Y1082 WeakPolarHBondContact CA-O 3.4Å; I1064-F1083 HydrophobicContact CG1-CD2 4.21Å
1065F76.1Confident76Confident0 Ų056.5 Ų56.50%033%0.33CS..EExtended strand (participates in β ladder)trans-119.2146.1166.574.1-88.6000111.6I1020 L1031 N1058 T1059 K1081 Y1082 V1087 V1096I1020-F1065 HydrophobicContact CG2-CE1 3.93Å; I1020-F1065 HydrophobicContact CG2-CZ 4.05Å; L1031-F1065 HydrophobicContact CD2-CZ 4.06Å; N1058-F1065 CarbonylContact O-C 3.53Å; N1058-F1065 WeakPolarHBondContact O-CA 3.42Å; T1059-F1065 HydrophobicContact CG2-CB 4.37Å; F1065-K1081 CarbonylContact O-C 3.58Å; F1065-K1081 WeakPolarHBondContact O-CA 3.47Å; F1065-Y1082 WeakPolarHBondContact CD1-O 3.38Å; F1065-Y1082 HydrophobicContact CD2-CD2 4.22Å; F1065-Y1082 VanDerWaalsContact CE1-CB 3.42Å; F1065-Y1082 HydrophobicContact CE1-CD2 4.5Å; F1065-Y1082 HydrophobicContact CE1-CG 4.33Å; F1065-Y1082 AromaticContact CE2-CD2 3.47Å; F1065-Y1082 HydrophobicContact CE2-CD2 3.47Å; F1065-Y1082 VanDerWaalsContact CE2-CD2 3.47Å; F1065-Y1082 HydrophobicContact CE2-CE2 4.39Å; F1065-Y1082 HydrophobicContact CE2-CG 4.1Å; F1065-Y1082 VanDerWaalsContact CZ-CB 3.41Å; F1065-Y1082 AromaticContact CZ-CD2 3.65Å; F1065-Y1082 HydrophobicContact CZ-CD2 3.65Å; F1065-Y1082 AromaticContact CZ-CG 3.82Å; F1065-Y1082 HydrophobicContact CZ-CG 3.82Å; F1065-Y1082 PolarHBondContact N-O 2.98Å; F1065-Y1082 PolarHBondContact O-N 3.49Å; F1065-V1087 HydrophobicContact CB-CG2 4.36Å; F1065-V1087 HydrophobicContact CD1-CG2 4.03Å; F1065-V1096 HydrophobicContact CB-CB 4.46Å; F1065-V1096 HydrophobicContact CB-CG1 4.25Å; F1065-V1096 HydrophobicContact CB-CG2 4.32Å; F1065-V1096 HydrophobicContact CD1-CG2 3.82Å; F1065-V1096 HydrophobicContact CD2-CG1 3.69Å; F1065-V1096 HydrophobicContact CD2-CG2 4.46Å; F1065-V1096 HydrophobicContact CE1-CG2 4.16Å; F1065-V1096 HydrophobicContact CE2-CG1 4.07Å; F1065-V1096 HydrophobicContact CG-CB 4.36Å; F1065-V1096 HydrophobicContact CG-CG1 3.92Å; F1065-V1096 HydrophobicContact CG-CG2 3.96Å
1066L82.3Confident76.3Confident19 Ų1957.1 Ų57.110%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-105.8132.4177.9-177.4130.4000108.3C1057 N1058 Q1079 R1080 K1081C1057-L1066 CarbonylContact C-O 3.56Å; C1057-L1066 WeakPolarHBondContact CA-O 3.15Å; C1057-L1066 PolarHBondContact SG-O 3.06Å; N1058-L1066 PolarHBondContact N-O 3.02Å; N1058-L1066 WeakPolarHBondContact O-CB 3.47Å; N1058-L1066 PolarHBondContact O-N 2.66Å; L1066-Q1079 HydrophobicContact CD1-CG 3.98Å; L1066-Q1079 HydrophobicContact CD2-CG 3.98Å; L1066-Q1079 HydrophobicContact CG-CG 4.05Å; L1066-R1080 CarbonylContact C-O 3.57Å; L1066-R1080 WeakPolarHBondContact CA-O 3.05Å; L1066-K1081 HydrophobicContact CB-CG 4.32Å; L1066-K1081 HydrophobicContact CD1-CD 4.28Å; L1066-K1081 HydrophobicContact CD1-CG 3.72Å; L1066-K1081 HydrophobicContact CG-CG 4.29Å
1067L84.1Confident77Confident0 Ų057.3 Ų57.30%034%0.34CS..EExtended strand (participates in β ladder)trans-122124.3176.7-168.677.3000108.8L1038 I1040 I1049 I1054 C1057 F1069 Q1079 R1080 Y1082 L1100L1038-L1067 HydrophobicContact CD1-CD1 3.71Å; L1038-L1067 HydrophobicContact CD1-CD2 3.76Å; L1038-L1067 HydrophobicContact CD1-CG 4.41Å; I1040-L1067 HydrophobicContact CD1-CD2 4Å; I1049-L1067 HydrophobicContact CD1-CD2 3.71Å; I1054-L1067 HydrophobicContact CG2-CD1 4.05Å; C1057-L1067 HydrophobicContact CB-CD1 4Å; L1067-F1069 HydrophobicContact CD2-CD1 3.85Å; L1067-F1069 HydrophobicContact CD2-CE1 4.1Å; L1067-F1069 HydrophobicContact CG-CD1 4.03Å; L1067-Q1079 CarbonylContact O-C 3.59Å; L1067-Q1079 WeakPolarHBondContact O-CA 3.08Å; L1067-R1080 PolarHBondContact N-O 2.72Å; L1067-R1080 PolarHBondContact O-N 2.86Å; L1067-Y1082 HydrophobicContact CB-CD2 4.4Å; L1067-Y1082 HydrophobicContact CB-CE2 4.12Å; L1067-Y1082 HydrophobicContact CD2-CE2 4.27Å; L1067-L1100 HydrophobicContact CD1-CD1 3.98Å
1068E84.3Confident77.7Confident31 Ų3159.4 Ų59.415%0.14535%0.35CS..EExtended strand (participates in β ladder)trans-120.9118.3179.2-161179.3146.800107.8I1054 K1055 K1056 L1077 I1078 Q1079I1054-E1068 CarbonylContact C-O 3.54Å; K1055-E1068 PolarHBondContact N-O 2.79Å; K1056-E1068 HydrophobicContact CB-CB 3.63Å; K1056-E1068 HydrophobicContact CB-CG 4.4Å; K1056-E1068 WeakPolarHBondContact CB-OE2 3.39Å; K1056-E1068 WeakPolarHBondContact CD-OE2 3.29Å; K1056-E1068 PolarHBondContact N-O 3.32Å; K1056-E1068 VanDerWaalsContact N-O 3.09Å; K1056-E1068 PolarHBondContact O-N 2.97Å; E1068-L1077 HydrophobicContact CG-CD2 3.83Å; E1068-L1077 HydrophobicContact CG-CG 4.38Å; E1068-L1077 WeakPolarHBondContact OE1-CD2 3.45Å; E1068-I1078 CarbonylContact C-O 3.58Å; E1068-I1078 VanDerWaalsContact CA-O 3.3Å; E1068-I1078 WeakPolarHBondContact CA-O 3.41Å; E1068-Q1079 HydrophobicContact CB-CG 4.28Å; E1068-Q1079 HydrophobicContact CG-CB 4.21Å; E1068-Q1079 HydrophobicContact CG-CG 4.11Å
1069F86.6Confident78.8Confident18 Ų1861.5 Ų61.58%0.07936%0.358CS..EExtended strand (participates in β ladder)trans-142.3149.2-17560.9-85.2000111.5I1049 S1053 I1054 L1067 I1078I1049-F1069 HydrophobicContact CD1-CD1 3.87Å; I1049-F1069 HydrophobicContact CD1-CD2 4.12Å; I1049-F1069 HydrophobicContact CD1-CE1 3.69Å; I1049-F1069 HydrophobicContact CD1-CE2 3.96Å; I1049-F1069 HydrophobicContact CD1-CG 4.07Å; I1049-F1069 HydrophobicContact CD1-CZ 3.74Å; I1049-F1069 HydrophobicContact CG1-CD2 4.21Å; I1049-F1069 HydrophobicContact CG1-CE2 4.14Å; I1049-F1069 HydrophobicContact CG1-CZ 4.38Å; I1049-F1069 HydrophobicContact CG2-CB 3.79Å; I1049-F1069 HydrophobicContact CG2-CD2 3.94Å; I1049-F1069 HydrophobicContact CG2-CG 3.85Å; S1053-F1069 CarbonylContact O-C 3.53Å; S1053-F1069 VanDerWaalsContact O-CA 3.25Å; S1053-F1069 WeakPolarHBondContact O-CA 3.31Å; I1054-F1069 HydrophobicContact CG1-CB 4.29Å; L1067-F1069 HydrophobicContact CD2-CD1 3.85Å; L1067-F1069 HydrophobicContact CD2-CE1 4.1Å; L1067-F1069 HydrophobicContact CG-CD1 4.03Å; F1069-I1078 HydrophobicContact CD2-CB 4.4Å; F1069-I1078 HydrophobicContact CE1-CB 4.24Å; F1069-I1078 HydrophobicContact CE1-CG2 4.04Å; F1069-I1078 HydrophobicContact CE2-CB 3.98Å; F1069-I1078 HydrophobicContact CE2-CD1 4.16Å; F1069-I1078 HydrophobicContact CE2-CG2 4.28Å; F1069-I1078 HydrophobicContact CZ-CB 3.9Å; F1069-I1078 HydrophobicContact CZ-CD1 4.47Å; F1069-I1078 HydrophobicContact CZ-CG2 3.73Å; F1069-I1078 PolarHBondContact N-O 2.81Å; F1069-I1078 PolarHBondContact O-N 3.03Å
1070L84.3Confident79.9Confident40 Ų4062.1 Ų62.121%0.20935%0.354CS..EExtended strand (participates in β ladder)trans-83.6116.1174.4-175.475.1000108.9S1053 H1072 L1077S1053-L1070 WeakPolarHBondContact CB-O 3.35Å; S1053-L1070 PolarHBondContact O-N 2.6Å; L1070-H1072 PolarHBondContact O-N 3.47Å; L1070-L1077 HydrophobicContact CD1-CD1 4.21Å
1071D82.5Confident81Confident42 Ų4263.2 Ų63.223%0.22535%0.35CS..EExtended strand (participates in β ladder)trans-79.6117.9171.1173.317.6000109.7C1073 T1074 D1075 Q1076 I1078D1071-C1073 VanDerWaalsContact C-N 3.26Å; D1071-C1073 PolarHBondContact O-N 3.46Å; D1071-C1073 WeakPolarHBondContact OD1-CB 3.48Å; D1071-C1073 PolarHBondContact OD1-N 3.08Å; D1071-T1074 WeakPolarHBondContact CB-OG1 3.46Å; D1071-T1074 VanDerWaalsContact CG-OG1 3.24Å; D1071-T1074 PolarHBondContact O-N 2.83Å; D1071-T1074 WeakPolarHBondContact OD2-CG2 3.4Å; D1071-T1074 PolarHBondContact OD2-OG1 3.05Å; D1071-D1075 WeakPolarHBondContact O-CA 3.46Å; D1071-D1075 PolarHBondContact O-N 3.34Å; D1071-Q1076 PolarHBondContact N-O 3.15Å; D1071-I1078 HydrophobicContact CB-CD1 3.48Å; D1071-I1078 VanDerWaalsContact CB-CD1 3.48Å; D1071-I1078 HydrophobicContact CB-CG1 4.02Å
1072H77Confident82Confident110 Ų11061 Ų6151%0.50933%0.327SS..THydrogen-bonded Turntrans-72.8-18.6-177-54.8-49.6000113.6S1053 L1070S1053-H1072 PolarHBondContact OG-CE1 3.23Å; S1053-H1072 VanDerWaalsContact OG-CE1 3.27Å; S1053-H1072 PolarHBondContact OG-NE2 3.45Å; L1070-H1072 PolarHBondContact O-N 3.47Å
1073C77.1Confident82.7Confident122 Ų12261.4 Ų61.482%0.82431%0.312SS*.THydrogen-bonded Turntrans-77.9-35177.6-66.70000111.4D1071D1071-C1073 VanDerWaalsContact C-N 3.26Å; D1071-C1073 PolarHBondContact O-N 3.46Å; D1071-C1073 WeakPolarHBondContact OD1-CB 3.48Å; D1071-C1073 PolarHBondContact OD1-N 3.08Å
1074T81Confident82.7Confident77 Ų7759.4 Ų59.447%0.47230%0.301SS..THydrogen-bonded Turntrans-106.4-10.9-177.657.80000113.5D1071 Q1076D1071-T1074 WeakPolarHBondContact CB-OG1 3.46Å; D1071-T1074 VanDerWaalsContact CG-OG1 3.24Å; D1071-T1074 PolarHBondContact O-N 2.83Å; D1071-T1074 WeakPolarHBondContact OD2-CG2 3.4Å; D1071-T1074 PolarHBondContact OD2-OG1 3.05Å; T1074-Q1076 PolarHBondContact O-N 3.33Å; T1074-Q1076 VanDerWaalsContact O-N 3.17Å
1075D79.9Confident82.2Confident125 Ų12564.1 Ų64.167%0.66832%0.322SS*.THydrogen-bonded Turntrans51.827.2-171-144.124.7000113D1071D1071-D1075 WeakPolarHBondContact O-CA 3.46Å; D1071-D1075 PolarHBondContact O-N 3.34Å
1076Q85.8Confident81.3Confident134 Ų13464.7 Ų64.763%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-106.2147.4179.5-69.4-166.5-0.300111.8D1071 T1074 I1078D1071-Q1076 PolarHBondContact N-O 3.15Å; T1074-Q1076 PolarHBondContact O-N 3.33Å; T1074-Q1076 VanDerWaalsContact O-N 3.17Å; Q1076-I1078 PolarHBondContact O-N 2.82Å
1077L86Confident80Confident97 Ų9765.5 Ų65.551%0.50833%0.331SS..EExtended strand (participates in β ladder)trans-79.2112.1172.6-138.592.4000109K1055 E1068 L1070K1055-L1077 HydrophobicContact CG-CD1 4.04Å; E1068-L1077 HydrophobicContact CG-CD2 3.83Å; E1068-L1077 HydrophobicContact CG-CG 4.38Å; E1068-L1077 WeakPolarHBondContact OE1-CD2 3.45Å; L1070-L1077 HydrophobicContact CD1-CD1 4.21Å
1078I85.9Confident78.1Confident48 Ų4867.8 Ų67.825%0.24635%0.347CS..EExtended strand (participates in β ladder)trans-99.9128.9178.7-56.6-174.2000108.9E1068 F1069 D1071 Q1076 R1080E1068-I1078 CarbonylContact C-O 3.58Å; E1068-I1078 VanDerWaalsContact CA-O 3.3Å; E1068-I1078 WeakPolarHBondContact CA-O 3.41Å; F1069-I1078 HydrophobicContact CD2-CB 4.4Å; F1069-I1078 HydrophobicContact CE1-CB 4.24Å; F1069-I1078 HydrophobicContact CE1-CG2 4.04Å; F1069-I1078 HydrophobicContact CE2-CB 3.98Å; F1069-I1078 HydrophobicContact CE2-CD1 4.16Å; F1069-I1078 HydrophobicContact CE2-CG2 4.28Å; F1069-I1078 HydrophobicContact CZ-CB 3.9Å; F1069-I1078 HydrophobicContact CZ-CD1 4.47Å; F1069-I1078 HydrophobicContact CZ-CG2 3.73Å; F1069-I1078 PolarHBondContact N-O 2.81Å; F1069-I1078 PolarHBondContact O-N 3.03Å; D1071-I1078 HydrophobicContact CB-CD1 3.48Å; D1071-I1078 VanDerWaalsContact CB-CD1 3.48Å; D1071-I1078 HydrophobicContact CB-CG1 4.02Å; Q1076-I1078 PolarHBondContact O-N 2.82Å; I1078-R1080 HydrophobicContact CG2-CG 4.25Å
1079Q87.9Confident76.2Confident105 Ų10574.2 Ų74.249%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-119.7120.9177.6-164.7177.62.800109.4L1066 L1067 E1068L1066-Q1079 HydrophobicContact CD1-CG 3.98Å; L1066-Q1079 HydrophobicContact CD2-CG 3.98Å; L1066-Q1079 HydrophobicContact CG-CG 4.05Å; L1067-Q1079 CarbonylContact O-C 3.59Å; L1067-Q1079 WeakPolarHBondContact O-CA 3.08Å; E1068-Q1079 HydrophobicContact CB-CG 4.28Å; E1068-Q1079 HydrophobicContact CG-CB 4.21Å; E1068-Q1079 HydrophobicContact CG-CG 4.11Å
1080R87.1Confident73.5Confident66 Ų6678.6 Ų78.625%0.24940%0.403CS..EExtended strand (participates in β ladder)trans-127.4149.5178.3-74.8-165.7179.5-16517112.1D1022 L1066 L1067 I1078 Y1082D1022-R1080 IonicContact OD2-CZ 2.79Å; D1022-R1080 IonicContact OD2-NE 2.9Å; D1022-R1080 IonicContact OD2-NH1 3.61Å; D1022-R1080 PolarHBondContact OD2-NH1 3.2Å; L1066-R1080 CarbonylContact C-O 3.57Å; L1066-R1080 WeakPolarHBondContact CA-O 3.05Å; L1067-R1080 PolarHBondContact N-O 2.72Å; L1067-R1080 PolarHBondContact O-N 2.86Å; I1078-R1080 HydrophobicContact CG2-CG 4.25Å; R1080-Y1082 HydrophobicContact CB-CE1 4.48Å; R1080-Y1082 HydrophobicContact CB-CE2 3.78Å; R1080-Y1082 WeakPolarHBondContact CD-OH 3.04Å
1081K87.8Confident71Confident96 Ų9686 Ų8642%0.41743%0.433SS..EExtended strand (participates in β ladder)trans-114.6133.1174.2-68.2176-178.8171.10109.9I1023 I1064 F1065 L1066I1023-K1081 HydrophobicContact CB-CB 4.12Å; I1023-K1081 WeakPolarHBondContact CB-O 3.46Å; I1023-K1081 HydrophobicContact CD1-CB 3.85Å; I1023-K1081 HydrophobicContact CG1-CB 4.17Å; I1023-K1081 WeakPolarHBondContact CG1-O 3.45Å; I1023-K1081 PolarHBondContact N-O 3.45Å; I1064-K1081 HydrophobicContact CG2-CB 4.23Å; F1065-K1081 CarbonylContact O-C 3.58Å; F1065-K1081 WeakPolarHBondContact O-CA 3.47Å; L1066-K1081 HydrophobicContact CB-CG 4.32Å; L1066-K1081 HydrophobicContact CD1-CD 4.28Å; L1066-K1081 HydrophobicContact CD1-CG 3.72Å; L1066-K1081 HydrophobicContact CG-CG 4.29Å
1082Y85.9Confident68.6Low0 Ų088.8 Ų88.80%046%0.456CS..EExtended strand (participates in β ladder)trans-124.9133.5-179.2-60.4-71000110.4I1020 Q1021 D1022 I1040 F1042 I1064 F1065 L1067 R1080I1020-Y1082 HydrophobicContact CD1-CD1 3.99Å; I1020-Y1082 HydrophobicContact CD1-CE1 4.23Å; I1020-Y1082 HydrophobicContact CD1-CG 4.35Å; Q1021-Y1082 CarbonylContact O-C 3.54Å; Q1021-Y1082 VanDerWaalsContact O-CA 3.26Å; Q1021-Y1082 WeakPolarHBondContact O-CA 3.32Å; D1022-Y1082 HydrophobicContact CB-CD1 4.04Å; D1022-Y1082 HydrophobicContact CB-CE1 3.92Å; I1040-Y1082 HydrophobicContact CD1-CE2 4.08Å; F1042-Y1082 AromaticContact CE2-CE1 3.93Å; F1042-Y1082 HydrophobicContact CE2-CE1 3.93Å; F1042-Y1082 HydrophobicContact CZ-CD1 4.05Å; F1042-Y1082 AromaticContact CZ-CE1 3.55Å; F1042-Y1082 HydrophobicContact CZ-CE1 3.55Å; I1064-Y1082 CarbonylContact C-O 3.56Å; I1064-Y1082 WeakPolarHBondContact CA-O 3.4Å; F1065-Y1082 WeakPolarHBondContact CD1-O 3.38Å; F1065-Y1082 HydrophobicContact CD2-CD2 4.22Å; F1065-Y1082 VanDerWaalsContact CE1-CB 3.42Å; F1065-Y1082 HydrophobicContact CE1-CD2 4.5Å; F1065-Y1082 HydrophobicContact CE1-CG 4.33Å; F1065-Y1082 AromaticContact CE2-CD2 3.47Å; F1065-Y1082 HydrophobicContact CE2-CD2 3.47Å; F1065-Y1082 VanDerWaalsContact CE2-CD2 3.47Å; F1065-Y1082 HydrophobicContact CE2-CE2 4.39Å; F1065-Y1082 HydrophobicContact CE2-CG 4.1Å; F1065-Y1082 VanDerWaalsContact CZ-CB 3.41Å; F1065-Y1082 AromaticContact CZ-CD2 3.65Å; F1065-Y1082 HydrophobicContact CZ-CD2 3.65Å; F1065-Y1082 AromaticContact CZ-CG 3.82Å; F1065-Y1082 HydrophobicContact CZ-CG 3.82Å; F1065-Y1082 PolarHBondContact N-O 2.98Å; F1065-Y1082 PolarHBondContact O-N 3.49Å; L1067-Y1082 HydrophobicContact CB-CD2 4.4Å; L1067-Y1082 HydrophobicContact CB-CE2 4.12Å; L1067-Y1082 HydrophobicContact CD2-CE2 4.27Å; R1080-Y1082 HydrophobicContact CB-CE1 4.48Å; R1080-Y1082 HydrophobicContact CB-CE2 3.78Å; R1080-Y1082 WeakPolarHBondContact CD-OH 3.04Å
1083F84.4Confident66.5Low71 Ų7188 Ų8831%0.31146%0.463SS..EExtended strand (participates in β ladder)trans-85.3134.2166.6176.9-90.2000109.4I1020 Q1021 I1023 N1063 I1064I1020-F1083 CarbonylContact C-O 3.49Å; I1020-F1083 WeakPolarHBondContact CA-O 3.49Å; Q1021-F1083 HydrophobicContact CB-CB 4.29Å; Q1021-F1083 PolarHBondContact N-O 3.12Å; Q1021-F1083 PolarHBondContact O-N 3.42Å; I1023-F1083 HydrophobicContact CG1-CB 4.36Å; N1063-F1083 HydrophobicContact CB-CD2 4.01Å; N1063-F1083 HydrophobicContact CB-CE2 3.59Å; N1063-F1083 HydrophobicContact CB-CZ 4.12Å; N1063-F1083 WeakPolarHBondContact O-CA 3.37Å; I1064-F1083 HydrophobicContact CG1-CD2 4.21Å
1084S75.2Confident65Low4 Ų485.4 Ų85.43%0.02844%0.441CS..  trans-152.2132.9173.4-175.80000110.9S1019 N1063 M1086 V1087S1019-S1084 WeakPolarHBondContact O-CB 3.22Å; S1019-S1084 PolarHBondContact O-OG 3.32Å; N1063-S1084 PolarHBondContact O-N 2.83Å; S1084-M1086 PolarHBondContact O-N 2.82Å; S1084-M1086 VanDerWaalsContact O-N 3.09Å; S1084-M1086 WeakPolarHBondContact OG-CB 3.25Å; S1084-M1086 PolarHBondContact OG-N 3.45Å; S1084-V1087 WeakPolarHBondContact O-CB 3.42Å; S1084-V1087 PolarHBondContact O-N 2.85Å
1085Q64.4Low63.2Low141 Ų14183.6 Ų83.666%0.65943%0.426SS*.G310 helixtrans-59.6-22.5175.3-69.6-163.4-800112.8V1087 S1088 W1089Q1085-V1087 PolarHBondContact O-N 2.9Å; Q1085-S1088 WeakPolarHBondContact O-CB 3.13Å; Q1085-S1088 PolarHBondContact O-N 3.5Å; Q1085-S1088 PolarHBondContact O-OG 3.3Å; Q1085-W1089 VanDerWaalsContact O-CD1 3.31Å
1086M59.1Low61.4Low13 Ų1377.7 Ų77.76%0.06440%0.395CS..G310 helixtrans-56.1-28.5173.5-17917945.500112.7F1018 L1031 S1084 S1088 Y1095 V1096F1018-M1086 HydrophobicContact CB-CE 3.87Å; F1018-M1086 HydrophobicContact CB-SD 4.23Å; F1018-M1086 HydrophobicContact CD1-CB 4.44Å; F1018-M1086 HydrophobicContact CD1-CE 4.07Å; F1018-M1086 HydrophobicContact CD1-CG 4.18Å; F1018-M1086 HydrophobicContact CD1-SD 3.27Å; F1018-M1086 WeakPolarHBondContact CD1-SD 3.2Å; F1018-M1086 HydrophobicContact CD2-CE 3.98Å; F1018-M1086 HydrophobicContact CD2-SD 3.82Å; F1018-M1086 HydrophobicContact CE1-CG 4.38Å; F1018-M1086 HydrophobicContact CE1-SD 3.39Å; F1018-M1086 WeakPolarHBondContact CE1-SD 3.36Å; F1018-M1086 HydrophobicContact CE2-SD 3.93Å; F1018-M1086 HydrophobicContact CG-CE 3.7Å; F1018-M1086 HydrophobicContact CG-SD 3.49Å; F1018-M1086 WeakPolarHBondContact CG-SD 3.5Å; F1018-M1086 HydrophobicContact CZ-SD 3.73Å; L1031-M1086 HydrophobicContact CD2-CE 4.4Å; S1084-M1086 PolarHBondContact O-N 2.82Å; S1084-M1086 VanDerWaalsContact O-N 3.09Å; S1084-M1086 WeakPolarHBondContact OG-CB 3.25Å; S1084-M1086 PolarHBondContact OG-N 3.45Å; M1086-S1088 VanDerWaalsContact C-N 3.25Å; M1086-S1088 PolarHBondContact O-N 3.22Å; M1086-Y1095 HydrophobicContact CG-CD1 3.59Å; M1086-Y1095 HydrophobicContact CG-CD2 3.9Å; M1086-Y1095 HydrophobicContact CG-CE1 4.14Å; M1086-Y1095 HydrophobicContact CG-CE2 4.37Å; M1086-Y1095 HydrophobicContact CG-CG 3.47Å; M1086-Y1095 VanDerWaalsContact CG-CG 3.47Å; M1086-Y1095 HydrophobicContact SD-CD1 3.16Å; M1086-Y1095 WeakPolarHBondContact SD-CD1 3.5Å; M1086-Y1095 HydrophobicContact SD-CE1 3.58Å; M1086-Y1095 VanDerWaalsContact SD-CE1 3.58Å; M1086-Y1095 HydrophobicContact SD-CG 3.74Å; M1086-V1096 HydrophobicContact CE-CG2 3.38Å
1087V53.5Low59.6Low36 Ų3673.2 Ų73.222%0.21837%0.373CS..G310 helixtrans-74.4-17.1179.2-179.10000112T1059 N1063 F1065 S1084 Q1085 V1096T1059-V1087 HydrophobicContact CG2-CG1 3.98Å; N1063-V1087 HydrophobicContact CB-CB 4.33Å; F1065-V1087 HydrophobicContact CB-CG2 4.36Å; F1065-V1087 HydrophobicContact CD1-CG2 4.03Å; S1084-V1087 WeakPolarHBondContact O-CB 3.42Å; S1084-V1087 PolarHBondContact O-N 2.85Å; Q1085-V1087 PolarHBondContact O-N 2.9Å; V1087-V1096 HydrophobicContact CG2-CG2 4.18Å
1088S44.2Very low57.6Low48 Ų4870 Ų7034%0.33636%0.36SS..G310 helixtrans-87.8-14.9-175.389.20000115.5N1063 Q1085 M1086 S1090N1063-S1088 WeakPolarHBondContact ND2-CB 3.47Å; N1063-S1088 WeakPolarHBondContact OD1-CA 3.48Å; N1063-S1088 WeakPolarHBondContact OD1-CB 3.3Å; N1063-S1088 PolarHBondContact OD1-N 2.98Å; Q1085-S1088 WeakPolarHBondContact O-CB 3.13Å; Q1085-S1088 PolarHBondContact O-N 3.5Å; Q1085-S1088 PolarHBondContact O-OG 3.3Å; M1086-S1088 VanDerWaalsContact C-N 3.25Å; M1086-S1088 PolarHBondContact O-N 3.22Å; S1088-S1090 PolarHBondContact O-N 2.96Å; S1088-S1090 PolarHBondContact O-OG 3.25Å; S1088-S1090 VanDerWaalsContact O-OG 3.11Å
1089W44.9Very low55.7Low166 Ų16667.8 Ų67.863%0.62935%0.349SS*.  trans-65.1102.6-173.3-75.466.4000109.4Q1085 F1091Q1085-W1089 VanDerWaalsContact O-CD1 3.31Å; W1089-F1091 PolarHBondContact O-N 2.85Å
1090S29.3Very low53.6Low109 Ų10963 Ų6376%0.76233%0.327SS*.SBendtrans-72.2105.8-166-65.70000110.3S1088S1088-S1090 PolarHBondContact O-N 2.96Å; S1088-S1090 PolarHBondContact O-OG 3.25Å; S1088-S1090 VanDerWaalsContact O-OG 3.11Å
1091F32Very low51.4Low196 Ų19664.1 Ų64.186%0.8633%0.333SS*.SBendtrans171.8111.4130.8-107.4-89.9000107.1W1089W1089-F1091 PolarHBondContact O-N 2.85Å
1092S33Very low49.2Very low100 Ų10059.8 Ų59.870%0.69932%0.315SS*.SBendtrans64.4118.4-175.355.60000116.1
1093S33.2Very low46.9Very low94 Ų9461.5 Ų61.566%0.65732%0.324SS*.SBendtrans-26.5138.3170.2-41.30000113.6
1094N45.3Very low44.4Very low68 Ų6863.6 Ų63.636%0.36433%0.331SS..  trans111.755.8153-57.7-17.8000118.6F1097 A1098N1094-F1097 HydrophobicContact CB-CB 3.27Å; N1094-F1097 HydrophobicContact CB-CG 4.27Å; N1094-F1097 VanDerWaalsContact OD1-CB 3.29Å; N1094-F1097 WeakPolarHBondContact OD1-CB 3.31Å; N1094-F1097 WeakPolarHBondContact OD1-CD2 3.29Å; N1094-F1097 WeakPolarHBondContact OD1-CG 3.35Å; N1094-A1098 HydrophobicContact CB-CB 4.43Å; N1094-A1098 WeakPolarHBondContact O-CA 3.48Å; N1094-A1098 WeakPolarHBondContact O-CB 3.43Å; N1094-A1098 PolarHBondContact O-N 2.9Å
1095Y42.5Very low42.8Very low38 Ų3866.6 Ų66.615%0.14935%0.346CS..Hα-helixtrans-72.6-54.2166.3-151.5-61000111.5W969 F1018 M1086 A1098 C1099W969-Y1095 HydrophobicContact CD2-CE2 4.01Å; W969-Y1095 AromaticContact CD2-CZ 3.74Å; W969-Y1095 VanDerWaalsContact CD2-OH 3.27Å; W969-Y1095 AromaticContact CE2-CE2 3.72Å; W969-Y1095 AromaticContact CE2-CZ 3.45Å; W969-Y1095 VanDerWaalsContact CE2-CZ 3.45Å; W969-Y1095 AromaticContact CE3-CE2 3.7Å; W969-Y1095 HydrophobicContact CE3-CE2 3.7Å; W969-Y1095 AromaticContact CE3-CZ 3.85Å; W969-Y1095 AromaticContact CH2-CD2 3.15Å; W969-Y1095 HydrophobicContact CH2-CD2 3.15Å; W969-Y1095 HydrophobicContact CH2-CE1 4.43Å; W969-Y1095 AromaticContact CH2-CE2 2.86Å; W969-Y1095 HydrophobicContact CH2-CE2 2.86Å; W969-Y1095 HydrophobicContact CH2-CG 4.1Å; W969-Y1095 AromaticContact CH2-CZ 3.57Å; W969-Y1095 HydrophobicContact CZ2-CD1 4.16Å; W969-Y1095 AromaticContact CZ2-CD2 3.44Å; W969-Y1095 HydrophobicContact CZ2-CD2 3.44Å; W969-Y1095 VanDerWaalsContact CZ2-CD2 3.44Å; W969-Y1095 AromaticContact CZ2-CE1 3.89Å; W969-Y1095 HydrophobicContact CZ2-CE1 3.89Å; W969-Y1095 AromaticContact CZ2-CE2 3.16Å; W969-Y1095 HydrophobicContact CZ2-CE2 3.16Å; W969-Y1095 AromaticContact CZ2-CG 3.95Å; W969-Y1095 HydrophobicContact CZ2-CG 3.95Å; W969-Y1095 AromaticContact CZ2-CZ 3.37Å; W969-Y1095 AromaticContact CZ3-CD2 3.87Å; W969-Y1095 HydrophobicContact CZ3-CD2 3.87Å; W969-Y1095 AromaticContact CZ3-CE2 3.13Å; W969-Y1095 HydrophobicContact CZ3-CE2 3.13Å; W969-Y1095 AromaticContact CZ3-CZ 3.77Å; F1018-Y1095 AromaticContact CE1-CE1 3.86Å; F1018-Y1095 HydrophobicContact CE1-CE1 3.86Å; F1018-Y1095 HydrophobicContact CZ-CD1 4.49Å; F1018-Y1095 AromaticContact CZ-CE1 3.67Å; F1018-Y1095 HydrophobicContact CZ-CE1 3.67Å; M1086-Y1095 HydrophobicContact CG-CD1 3.59Å; M1086-Y1095 HydrophobicContact CG-CD2 3.9Å; M1086-Y1095 HydrophobicContact CG-CE1 4.14Å; M1086-Y1095 HydrophobicContact CG-CE2 4.37Å; M1086-Y1095 HydrophobicContact CG-CG 3.47Å; M1086-Y1095 VanDerWaalsContact CG-CG 3.47Å; M1086-Y1095 HydrophobicContact SD-CD1 3.16Å; M1086-Y1095 WeakPolarHBondContact SD-CD1 3.5Å; M1086-Y1095 HydrophobicContact SD-CE1 3.58Å; M1086-Y1095 VanDerWaalsContact SD-CE1 3.58Å; M1086-Y1095 HydrophobicContact SD-CG 3.74Å; Y1095-A1098 PolarHBondContact O-N 3.02Å; Y1095-C1099 PolarHBondContact O-N 2.59Å; Y1095-C1099 VanDerWaalsContact O-N 3.14Å; Y1095-C1099 PolarHBondContact O-SG 2.83Å; Y1095-C1099 VanDerWaalsContact O-SG 3.37Å
1096V43.1Very low41.7Very low2 Ų262.7 Ų62.71%0.01233%0.33CS..Hα-helixtrans-63.3-46.9173.9178.40000110.2C1057 F1065 M1086 V1087 A1098 C1099 L1100C1057-V1096 VanDerWaalsContact SG-CG1 3.54Å; F1065-V1096 HydrophobicContact CB-CB 4.46Å; F1065-V1096 HydrophobicContact CB-CG1 4.25Å; F1065-V1096 HydrophobicContact CB-CG2 4.32Å; F1065-V1096 HydrophobicContact CD1-CG2 3.82Å; F1065-V1096 HydrophobicContact CD2-CG1 3.69Å; F1065-V1096 HydrophobicContact CD2-CG2 4.46Å; F1065-V1096 HydrophobicContact CE1-CG2 4.16Å; F1065-V1096 HydrophobicContact CE2-CG1 4.07Å; F1065-V1096 HydrophobicContact CG-CB 4.36Å; F1065-V1096 HydrophobicContact CG-CG1 3.92Å; F1065-V1096 HydrophobicContact CG-CG2 3.96Å; M1086-V1096 HydrophobicContact CE-CG2 3.38Å; V1087-V1096 HydrophobicContact CG2-CG2 4.18Å; V1096-A1098 PolarHBondContact O-N 3.17Å; V1096-C1099 PolarHBondContact O-N 2.97Å; V1096-L1100 HydrophobicContact CG1-CD1 3.62Å; V1096-L1100 WeakPolarHBondContact O-CB 3.46Å; V1096-L1100 PolarHBondContact O-N 2.9Å
1097F47.2Very low40.7Very low40 Ų4065.4 Ų65.418%0.17535%0.345CS..Hα-helixtrans-63-40.5178.2-119.4-79.9000112.4C1057 N1058 T1059 N1094 L1100 F1101C1057-F1097 WeakPolarHBondContact O-CD2 3.43Å; C1057-F1097 WeakPolarHBondContact O-CE2 3.15Å; C1057-F1097 WeakPolarHBondContact O-CZ 3.26Å; N1058-F1097 VanDerWaalsContact CA-CE2 3.44Å; N1058-F1097 HydrophobicContact CB-CE2 4.17Å; N1058-F1097 WeakPolarHBondContact OD1-CZ 3.46Å; T1059-F1097 HydrophobicContact CG2-CD2 4.49Å; N1094-F1097 HydrophobicContact CB-CB 3.27Å; N1094-F1097 HydrophobicContact CB-CG 4.27Å; N1094-F1097 VanDerWaalsContact OD1-CB 3.29Å; N1094-F1097 WeakPolarHBondContact OD1-CB 3.31Å; N1094-F1097 WeakPolarHBondContact OD1-CD2 3.29Å; N1094-F1097 WeakPolarHBondContact OD1-CG 3.35Å; F1097-L1100 PolarHBondContact O-N 3.43Å; F1097-F1101 AromaticContact CD1-CD2 3.29Å; F1097-F1101 HydrophobicContact CD1-CD2 3.29Å; F1097-F1101 AromaticContact CD1-CE2 3.61Å; F1097-F1101 HydrophobicContact CD1-CE2 3.61Å; F1097-F1101 HydrophobicContact CD1-CG 4.17Å; F1097-F1101 AromaticContact CE1-CD2 3.49Å; F1097-F1101 HydrophobicContact CE1-CD2 3.49Å; F1097-F1101 VanDerWaalsContact CE1-CD2 3.49Å; F1097-F1101 AromaticContact CE1-CE2 3.26Å; F1097-F1101 HydrophobicContact CE1-CE2 3.26Å; F1097-F1101 HydrophobicContact CE1-CG 4.45Å; F1097-F1101 HydrophobicContact CE1-CZ 4.1Å; F1097-F1101 HydrophobicContact CG-CD2 4.39Å; F1097-F1101 HydrophobicContact CZ-CE2 4.26Å; F1097-F1101 VanDerWaalsContact O-CB 3.26Å; F1097-F1101 WeakPolarHBondContact O-CB 3.16Å; F1097-F1101 PolarHBondContact O-N 3.4Å
1098A44.2Very low40Very low29 Ų2967.2 Ų67.224%0.2435%0.352CS..Hα-helixtrans-69.7-40.5179.500000110.8N1094 Y1095 V1096 S1102N1094-A1098 HydrophobicContact CB-CB 4.43Å; N1094-A1098 WeakPolarHBondContact O-CA 3.48Å; N1094-A1098 WeakPolarHBondContact O-CB 3.43Å; N1094-A1098 PolarHBondContact O-N 2.9Å; Y1095-A1098 PolarHBondContact O-N 3.02Å; V1096-A1098 PolarHBondContact O-N 3.17Å; A1098-S1102 WeakPolarHBondContact O-CA 3.45Å; A1098-S1102 WeakPolarHBondContact O-CB 3.13Å; A1098-S1102 PolarHBondContact O-N 3.32Å; A1098-S1102 PolarHBondContact O-OG 3.48Å
1099C46.2Very low39.7Very low1 Ų168.4 Ų68.41%0.00735%0.353CS..Hα-helixtrans-64.4-42.3175.4-66.80000111.9T958 I1033 Y1095 V1096 S1102T958-C1099 HydrophobicContact CG2-CB 4.41Å; I1033-C1099 HydrophobicContact CD1-CB 3.49Å; I1033-C1099 VanDerWaalsContact CD1-CB 3.49Å; I1033-C1099 HydrophobicContact CG2-CB 4.04Å; Y1095-C1099 PolarHBondContact O-N 2.59Å; Y1095-C1099 VanDerWaalsContact O-N 3.14Å; Y1095-C1099 PolarHBondContact O-SG 2.83Å; Y1095-C1099 VanDerWaalsContact O-SG 3.37Å; V1096-C1099 PolarHBondContact O-N 2.97Å; C1099-S1102 PolarHBondContact O-OG 3.14Å
1100L43.5Very low39.4Very low4 Ų461.9 Ų61.92%0.02134%0.335CS..Hα-helixtrans-78.4-40.7-178.2-85.2154000115L1038 I1054 C1057 L1067 V1096 F1097 S1102 L1103L1038-L1100 HydrophobicContact CD1-CD1 4.01Å; L1038-L1100 HydrophobicContact CD1-CD2 3.75Å; L1038-L1100 HydrophobicContact CD1-CG 4.36Å; L1038-L1100 HydrophobicContact CD2-CD1 4.33Å; L1038-L1100 HydrophobicContact CD2-CD2 3.96Å; L1038-L1100 HydrophobicContact CD2-CG 4.19Å; L1038-L1100 HydrophobicContact CG-CD2 3.93Å; I1054-L1100 HydrophobicContact CD1-CD2 3.34Å; I1054-L1100 HydrophobicContact CG2-CD2 4.4Å; C1057-L1100 HydrophobicContact CB-CD1 4.01Å; C1057-L1100 VanDerWaalsContact SG-CD1 3.52Å; L1067-L1100 HydrophobicContact CD1-CD1 3.98Å; V1096-L1100 HydrophobicContact CG1-CD1 3.62Å; V1096-L1100 WeakPolarHBondContact O-CB 3.46Å; V1096-L1100 PolarHBondContact O-N 2.9Å; F1097-L1100 PolarHBondContact O-N 3.43Å; L1100-S1102 VanDerWaalsContact C-N 3.32Å; L1100-L1103 PolarHBondContact O-N 3.34Å
1101F41Very low40.1Very low90 Ų9058.5 Ų58.540%0.39530%0.304SS..Hα-helixtrans-80-12173.3-93.2-94.8000113.6S960 F1097 L1103 Y1104S960-F1101 PolarHBondContact OG-O 2.92Å; F1097-F1101 AromaticContact CD1-CD2 3.29Å; F1097-F1101 HydrophobicContact CD1-CD2 3.29Å; F1097-F1101 AromaticContact CD1-CE2 3.61Å; F1097-F1101 HydrophobicContact CD1-CE2 3.61Å; F1097-F1101 HydrophobicContact CD1-CG 4.17Å; F1097-F1101 AromaticContact CE1-CD2 3.49Å; F1097-F1101 HydrophobicContact CE1-CD2 3.49Å; F1097-F1101 VanDerWaalsContact CE1-CD2 3.49Å; F1097-F1101 AromaticContact CE1-CE2 3.26Å; F1097-F1101 HydrophobicContact CE1-CE2 3.26Å; F1097-F1101 HydrophobicContact CE1-CG 4.45Å; F1097-F1101 HydrophobicContact CE1-CZ 4.1Å; F1097-F1101 HydrophobicContact CG-CD2 4.39Å; F1097-F1101 HydrophobicContact CZ-CE2 4.26Å; F1097-F1101 VanDerWaalsContact O-CB 3.26Å; F1097-F1101 WeakPolarHBondContact O-CB 3.16Å; F1097-F1101 PolarHBondContact O-N 3.4Å; F1101-L1103 PolarHBondContact O-N 2.76Å; F1101-Y1104 PolarHBondContact O-N 3.13Å
1102S41.5Very low40.7Very low5 Ų547.9 Ų47.94%0.03526%0.261CS..Hα-helixtrans-66.7-25.9166.472.90000111.3Y959 S960 P961 A1098 C1099 L1100Y959-S1102 VanDerWaalsContact C-CB 3.41Å; Y959-S1102 CarbonylContact O-C 3.55Å; Y959-S1102 VanDerWaalsContact O-C 3.24Å; Y959-S1102 WeakPolarHBondContact O-CB 3.44Å; S960-S1102 VanDerWaalsContact CA-O 3.24Å; S960-S1102 WeakPolarHBondContact CA-O 3.49Å; P961-S1102 WeakPolarHBondContact CD-O 3.31Å; A1098-S1102 WeakPolarHBondContact O-CA 3.45Å; A1098-S1102 WeakPolarHBondContact O-CB 3.13Å; A1098-S1102 PolarHBondContact O-N 3.32Å; A1098-S1102 PolarHBondContact O-OG 3.48Å; C1099-S1102 PolarHBondContact O-OG 3.14Å; L1100-S1102 VanDerWaalsContact C-N 3.32Å
1103L37.2Very low41.3Very low36 Ų3643.6 Ų43.619%0.18823%0.225CC..  trans-92.8-5.2179.6-64.6160.8000113Q1034 I1035 L1051 L1100 F1101Q1034-L1103 WeakPolarHBondContact O-CD1 3.43Å; I1035-L1103 HydrophobicContact CG1-CD2 4.21Å; I1035-L1103 WeakPolarHBondContact O-CD2 3.17Å; L1051-L1103 HydrophobicContact CD1-CB 3.31Å; L1051-L1103 HydrophobicContact CD1-CD1 3.34Å; L1051-L1103 HydrophobicContact CD1-CG 3.86Å; L1051-L1103 VanDerWaalsContact CD2-C 3.47Å; L1051-L1103 HydrophobicContact CD2-CB 3.25Å; L1051-L1103 WeakPolarHBondContact CD2-O 3.44Å; L1051-L1103 HydrophobicContact CG-CB 3.81Å; L1100-L1103 PolarHBondContact O-N 3.34Å; F1101-L1103 PolarHBondContact O-N 2.76Å
1104Y31.1Very low42.1Very low116 Ų11639 Ų3946%0.45519%0.186SC..  trans-108.90179.8-110-75.9000115.7K962 L1051 A1052 I1054 F1101K962-Y1104 WeakPolarHBondContact CB-O 3.35Å; L1051-Y1104 HydrophobicContact CD2-CD2 4.07Å; L1051-Y1104 HydrophobicContact CD2-CE2 4.32Å; L1051-Y1104 VanDerWaalsContact O-CE2 3.26Å; L1051-Y1104 WeakPolarHBondContact O-CE2 3.46Å; A1052-Y1104 PolarHBondContact O-OH 3.26Å; I1054-Y1104 HydrophobicContact CB-CE2 4.39Å; I1054-Y1104 WeakPolarHBondContact O-CE2 3.42Å; I1054-Y1104 VanDerWaalsContact O-CZ 3.27Å; I1054-Y1104 PolarHBondContact O-OH 2.83Å; F1101-Y1104 PolarHBondContact O-N 3.13Å

Retrieved 1,104 of 1,104 residues in 2580.7 ms (Link to these results)

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