PSMD4_SCHMA Loading...

26S proteasome non-ATPase regulatory subunit 4

Binds and presumably selects ubiquitin-conjugates for destruction.

AlphaFold DB , UniProt , Accession O17453, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 420 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
1M58.9Low87.5Confident201 Ų20127.3 Ų27.399%0.9914%0.142SC*.  0122.70-62.9171-179.200108.8N44M1-N44 WeakPolarHBondContact CB-OD1 2.86Å
2S78.1Confident87.8Confident42 Ų4225.5 Ų25.529%0.29413%0.133SC..  trans-89.1135.3-176.6-178.70000111.2N44 K105S2-N44 PolarHBondContact O-ND2 3.26Å; S2-K105 WeakPolarHBondContact OG-CD 3.48Å; S2-K105 VanDerWaalsContact OG-CE 3.23Å; S2-K105 WeakPolarHBondContact OG-CE 3.45Å
3Q87.2Confident87.8Confident37 Ų3723.5 Ų23.517%0.17312%0.122CC..  trans-72.7138.7172.9-57-176.8900110.8E46 N47 L101 H103 Q104 K105Q3-E46 VanDerWaalsContact CD-OE2 3.3Å; Q3-E46 PolarHBondContact NE2-OE2 2.85Å; Q3-N47 WeakPolarHBondContact CA-OD1 3.42Å; Q3-L101 VanDerWaalsContact OE1-CD1 3.28Å; Q3-H103 PolarHBondContact NE2-NE2 2.98Å; Q3-H103 PolarHBondContact OE1-CE1 3.13Å; Q3-H103 PolarHBondContact OE1-NE2 3.47Å; Q3-Q104 HydrophobicContact CB-CG 3.85Å; Q3-Q104 WeakPolarHBondContact O-CA 3.43Å; Q3-K105 PolarHBondContact O-N 3.44Å
4E89.1Confident87.7Confident11 Ų1126.6 Ų26.65%0.05114%0.139CC..EExtended strand (participates in β ladder)trans-130.1142.6-178.8-52.9-165.6141.100110.3K40 N47 T48 K105 R107E4-K40 IonicContact OE2-NZ 3.48Å; E4-K40 PolarHBondContact OE2-NZ 2.76Å; E4-N47 PolarHBondContact N-OD1 3.19Å; E4-N47 PolarHBondContact O-OD1 3.41Å; E4-T48 PolarHBondContact O-N 2.88Å; E4-K105 WeakPolarHBondContact CA-O 3.26Å; E4-K105 HydrophobicContact CG-CB 4.32Å; E4-R107 IonicContact OE1-NE 2.85Å; E4-R107 IonicContact OE1-NH2 3.73Å; E4-R107 IonicContact OE2-NE 3Å; E4-R107 PolarHBondContact OE2-NE 2.85Å
5A92Very high87.7Confident0 Ų031.5 Ų31.50%016%0.156CC..EExtended strand (participates in β ladder)trans-104.6111.916500000107.1L63 L96 Q104 K105 R107A5-L63 HydrophobicContact CB-CD1 4.39Å; A5-L63 HydrophobicContact CB-CD2 4.43Å; A5-L96 HydrophobicContact CB-CD2 3.86Å; A5-L96 WeakPolarHBondContact O-CD2 3.41Å; A5-Q104 HydrophobicContact CB-CB 4.08Å; A5-K105 PolarHBondContact N-O 3.03Å; A5-R107 PolarHBondContact O-N 3.21Å
6T91.9Very high87.6Confident1 Ų129.8 Ų29.81%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-108.2125.2-178.1-55.20000110.3I8 T48 I49 G50 R107 V109T6-I8 HydrophobicContact CG2-CG1 4.17Å; T6-T48 PolarHBondContact N-O 3.39Å; T6-I49 CarbonylContact O-C 3.48Å; T6-I49 VanDerWaalsContact O-CA 3.28Å; T6-I49 WeakPolarHBondContact O-CA 3.43Å; T6-G50 PolarHBondContact O-N 3.21Å; T6-R107 CarbonylContact C-O 3.38Å; T6-R107 VanDerWaalsContact CA-O 3.27Å; T6-R107 WeakPolarHBondContact CA-O 3.47Å; T6-V109 HydrophobicContact CG2-CG2 3.82Å
7I94Very high87.4Confident6 Ų636.9 Ų36.93%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-102.4125.4165.8-66.4-171.9000108.6L52 L63 A92 A95 L96 R107 I108 V109I7-L52 HydrophobicContact CG2-CB 4.02Å; I7-L63 HydrophobicContact CG1-CD2 3.93Å; I7-A92 VanDerWaalsContact CD1-O 3.22Å; I7-A92 WeakPolarHBondContact CD1-O 3.37Å; I7-A92 HydrophobicContact CG2-CB 4.13Å; I7-A95 HydrophobicContact CD1-CB 3.36Å; I7-L96 HydrophobicContact CD1-CD2 4.06Å; I7-L96 HydrophobicContact CD1-CG 3.65Å; I7-L96 HydrophobicContact CG1-CD2 3.84Å; I7-L96 HydrophobicContact CG1-CG 3.94Å; I7-R107 PolarHBondContact N-O 3.16Å; I7-I108 WeakPolarHBondContact O-CA 3.42Å; I7-V109 PolarHBondContact O-N 3Å
8I94.1Very high87.2Confident1 Ų138.9 Ų38.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-99.2115.7176.3-56.7177.5000107.9T6 V10 V33 I36 I49 G50 L52 V109 F111T6-I8 HydrophobicContact CG2-CG1 4.17Å; I8-V10 HydrophobicContact CG2-CG2 4.11Å; I8-V33 HydrophobicContact CD1-CG1 3.91Å; I8-V33 HydrophobicContact CG2-CG1 4.05Å; I8-V33 HydrophobicContact CG2-CG2 3.91Å; I8-I36 HydrophobicContact CD1-CB 4.44Å; I8-I36 HydrophobicContact CD1-CG2 4.01Å; I8-I49 HydrophobicContact CD1-CG2 3.67Å; I8-I49 HydrophobicContact CG1-CG2 4.07Å; I8-G50 PolarHBondContact N-O 3.47Å; I8-L52 PolarHBondContact O-N 3.16Å; I8-V109 CarbonylContact C-O 3.54Å; I8-V109 WeakPolarHBondContact CA-O 3.43Å; I8-F111 HydrophobicContact CG2-CD2 3.93Å; I8-F111 HydrophobicContact CG2-CE2 3.65Å
9A93.4Very high86.8Confident1 Ų140.3 Ų40.31%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-96.9115.8174.400000109.5L52 L54 V109 F111A9-L52 CarbonylContact C-O 3.02Å; A9-L52 WeakPolarHBondContact CA-O 3.47Å; A9-L52 HydrophobicContact CB-CB 4.38Å; A9-L52 HydrophobicContact CB-CD2 4.19Å; A9-L52 HydrophobicContact CB-CG 4.49Å; A9-L54 HydrophobicContact CB-CD2 3.73Å; A9-L54 HydrophobicContact CB-CG 4.12Å; A9-V109 PolarHBondContact N-O 3.28Å; A9-F111 PolarHBondContact O-N 2.87Å
10V92.6Very high86.7Confident0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-99.3128.9-177.2177.60000108.9I8 N12 Q29 V33 L51 L52 L54 L74I8-V10 HydrophobicContact CG2-CG2 4.11Å; V10-N12 WeakPolarHBondContact CG1-OD1 3.44Å; V10-N12 PolarHBondContact O-OD1 3Å; V10-Q29 VanDerWaalsContact CG1-CD 3.48Å; V10-Q29 HydrophobicContact CG1-CG 4.25Å; V10-Q29 VanDerWaalsContact CG1-NE2 3.25Å; V10-V33 HydrophobicContact CG2-CG2 3.87Å; V10-L51 HydrophobicContact CB-CD1 4.42Å; V10-L51 HydrophobicContact CG2-CD1 3.48Å; V10-L51 VanDerWaalsContact CG2-CD1 3.48Å; V10-L52 PolarHBondContact N-O 3.46Å; V10-L54 PolarHBondContact O-N 3.24Å; V10-L74 HydrophobicContact CG2-CD2 4.01Å
11D91.6Very high86.4Confident0 Ų038.9 Ų38.90%020%0.203CC..  trans-71.7126.1169.7-167-8.4000110.2S13 M16 Q29 L54 I83 F111 G113 S114D11-S13 VanDerWaalsContact CG-OG 3.27Å; D11-S13 WeakPolarHBondContact OD1-CB 3.23Å; D11-S13 PolarHBondContact OD1-N 3.47Å; D11-S13 PolarHBondContact OD1-OG 3.35Å; D11-S13 PolarHBondContact OD2-OG 2.87Å; D11-S13 VanDerWaalsContact OD2-OG 3.13Å; D11-M16 HydrophobicContact CB-CE 4.37Å; D11-M16 HydrophobicContact CB-CG 4.45Å; D11-M16 HydrophobicContact CB-SD 4.32Å; D11-M16 WeakPolarHBondContact O-CG 3.43Å; D11-Q29 PolarHBondContact O-NE2 3.21Å; D11-Q29 PolarHBondContact O-OE1 2.94Å; D11-Q29 VanDerWaalsContact O-OE1 3.1Å; D11-L54 HydrophobicContact CB-CD1 4.21Å; D11-I83 WeakPolarHBondContact OD1-CG2 3.44Å; D11-F111 WeakPolarHBondContact CB-O 3.3Å; D11-G113 PolarHBondContact OD2-N 3.43Å; D11-S114 PolarHBondContact OD2-N 2.92Å; D11-S114 PolarHBondContact OD2-OG 3.17Å
12N90.5Very high87.3Confident6 Ų637.8 Ų37.83%0.03219%0.193CC..  trans-116.520.1175.6-59.22000111.1V10 S53 A55 V77 P79 K80V10-N12 WeakPolarHBondContact CG1-OD1 3.44Å; V10-N12 PolarHBondContact O-OD1 3Å; N12-S53 VanDerWaalsContact CG-OG 3.32Å; N12-S53 WeakPolarHBondContact ND2-CB 3.46Å; N12-S53 PolarHBondContact ND2-OG 2.99Å; N12-A55 HydrophobicContact CB-CB 3.9Å; N12-V77 HydrophobicContact CB-CG1 4.07Å; N12-V77 WeakPolarHBondContact ND2-CG1 3.27Å; N12-V77 WeakPolarHBondContact OD1-CG1 3.47Å; N12-P79 CarbonylContact O-C 3.59Å; N12-P79 WeakPolarHBondContact O-CA 3.32Å; N12-K80 CarbonylContact O-C 3.37Å; N12-K80 VanDerWaalsContact O-C 3.31Å; N12-K80 PolarHBondContact O-N 3.06Å; N12-K80 VanDerWaalsContact O-O 3.05Å
13S88.7Confident87.5Confident0 Ų039.5 Ų39.50%020%0.203CC..SBendtrans-63.6163.9-176.658.70000113.1D11 Y15 M16 G81 S114D11-S13 VanDerWaalsContact CG-OG 3.27Å; D11-S13 WeakPolarHBondContact OD1-CB 3.23Å; D11-S13 PolarHBondContact OD1-N 3.47Å; D11-S13 PolarHBondContact OD1-OG 3.35Å; D11-S13 PolarHBondContact OD2-OG 2.87Å; D11-S13 VanDerWaalsContact OD2-OG 3.13Å; S13-Y15 PolarHBondContact O-N 3.33Å; S13-Y15 VanDerWaalsContact O-N 3.12Å; S13-M16 WeakPolarHBondContact O-CB 3.46Å; S13-M16 PolarHBondContact O-N 2.93Å; S13-G81 VanDerWaalsContact CA-O 3.28Å; S13-G81 WeakPolarHBondContact CA-O 3.39Å; S13-S114 WeakPolarHBondContact OG-CB 3.46Å; S13-S114 PolarHBondContact OG-OG 2.86Å
14D86.4Confident87.4Confident67 Ų6740.8 Ų40.836%0.35821%0.214SC..G310 helixtrans-58.4-24.6174.5-65.3-44.2000112.7M16 R17 K80 G81D14-M16 PolarHBondContact O-N 3.29Å; D14-R17 WeakPolarHBondContact O-CB 3.43Å; D14-R17 WeakPolarHBondContact O-CG 3.5Å; D14-R17 PolarHBondContact O-N 3.34Å; D14-R17 IonicContact OD1-CZ 2.74Å; D14-R17 IonicContact OD1-NH2 3.49Å; D14-R17 PolarHBondContact OD1-NH2 3.44Å; D14-R17 VanDerWaalsContact OD1-NH2 3.15Å; D14-K80 WeakPolarHBondContact OD1-CA 3.47Å; D14-G81 PolarHBondContact N-O 3.04Å; D14-G81 PolarHBondContact OD1-N 3.3Å
15Y86.5Confident87.3Confident99 Ų9941 Ų4139%0.38821%0.214SC..G310 helixtrans-66.3-20.2175.1-68.5-97.6000113.1S13 R17 N18 R25 G113 S114 P115S13-Y15 PolarHBondContact O-N 3.33Å; S13-Y15 VanDerWaalsContact O-N 3.12Å; Y15-R17 PolarHBondContact O-N 3.15Å; Y15-N18 VanDerWaalsContact O-CB 3.29Å; Y15-N18 WeakPolarHBondContact O-CB 3.31Å; Y15-N18 VanDerWaalsContact O-CG 3.26Å; Y15-N18 PolarHBondContact O-N 3.4Å; Y15-N18 VanDerWaalsContact O-N 3.1Å; Y15-N18 PolarHBondContact O-ND2 2.98Å; Y15-R25 PolarHBondContact O-NH1 2.95Å; Y15-G113 WeakPolarHBondContact CB-O 3.5Å; Y15-S114 VanDerWaalsContact CD2-CB 3.45Å; Y15-P115 HydrophobicContact CE1-CG 4.42Å; Y15-P115 HydrophobicContact CE2-CG 4.15Å; Y15-P115 VanDerWaalsContact CZ-CD 3.47Å; Y15-P115 WeakPolarHBondContact OH-CG 3.41Å
16M86.7Confident87.1Confident4 Ų442.4 Ų42.42%0.0222%0.222CC..G310 helixtrans-69.8-7.8175.8-64.5-57.3106.400113.7D11 S13 D14 N18 R25 P79 G113D11-M16 HydrophobicContact CB-CE 4.37Å; D11-M16 HydrophobicContact CB-CG 4.45Å; D11-M16 HydrophobicContact CB-SD 4.32Å; D11-M16 WeakPolarHBondContact O-CG 3.43Å; S13-M16 WeakPolarHBondContact O-CB 3.46Å; S13-M16 PolarHBondContact O-N 2.93Å; D14-M16 PolarHBondContact O-N 3.29Å; M16-N18 VanDerWaalsContact C-N 3.28Å; M16-R25 HydrophobicContact CE-CG 4.25Å; M16-R25 VanDerWaalsContact SD-CD 3.52Å; M16-R25 HydrophobicContact SD-CG 3.75Å; M16-P79 HydrophobicContact CB-CB 3.83Å; M16-G113 WeakPolarHBondContact CE-O 3.5Å
17R85Confident86.9Confident152 Ų15245.7 Ų45.757%0.57424%0.237SC*.G310 helixtrans-78.3-12.9170.9-60.3-177.1-171.2158.910.8113D14 Y15 P79D14-R17 WeakPolarHBondContact O-CB 3.43Å; D14-R17 WeakPolarHBondContact O-CG 3.5Å; D14-R17 PolarHBondContact O-N 3.34Å; D14-R17 IonicContact OD1-CZ 2.74Å; D14-R17 IonicContact OD1-NH2 3.49Å; D14-R17 PolarHBondContact OD1-NH2 3.44Å; D14-R17 VanDerWaalsContact OD1-NH2 3.15Å; Y15-R17 PolarHBondContact O-N 3.15Å; R17-P79 HydrophobicContact CG-CB 3.87Å; R17-P79 HydrophobicContact CG-CG 3.65Å; R17-P79 VanDerWaalsContact CZ-O 3.28Å; R17-P79 PolarHBondContact NE-O 2.93Å; R17-P79 PolarHBondContact NH2-O 3.04Å
18N82.8Confident86.6Confident72 Ų7245.6 Ų45.639%0.38524%0.237SC..  trans-67.5143.2179.5-64.2-15.8000110.5Y15 M16 R25Y15-N18 VanDerWaalsContact O-CB 3.29Å; Y15-N18 WeakPolarHBondContact O-CB 3.31Å; Y15-N18 VanDerWaalsContact O-CG 3.26Å; Y15-N18 PolarHBondContact O-N 3.4Å; Y15-N18 VanDerWaalsContact O-N 3.1Å; Y15-N18 PolarHBondContact O-ND2 2.98Å; M16-N18 VanDerWaalsContact C-N 3.28Å; N18-R25 WeakPolarHBondContact O-CB 3.36Å; N18-R25 PolarHBondContact O-N 2.72Å
19G80.2Confident86.4Confident66 Ų6645.8 Ų45.868%0.6824%0.238SC*.  trans-101.532.6179.800000113.4F21G19-F21 VanDerWaalsContact C-N 3.27Å
20D83.8Confident86.3Confident49 Ų4946.1 Ų46.126%0.26224%0.239SC..SBendtrans-71.5-24.217664-34.2000112.9R25D20-R25 IonicContact OD1-CZ 2.64Å; D20-R25 VanDerWaalsContact OD1-CZ 3.29Å; D20-R25 IonicContact OD1-NE 3.07Å; D20-R25 PolarHBondContact OD1-NE 2.96Å; D20-R25 IonicContact OD1-NH2 3.29Å; D20-R25 PolarHBondContact OD1-NH2 3.47Å; D20-R25 VanDerWaalsContact OD1-NH2 3.09Å; D20-R25 IonicContact OD2-CZ 3.07Å; D20-R25 VanDerWaalsContact OD2-CZ 3.31Å; D20-R25 IonicContact OD2-NE 3.79Å; D20-R25 PolarHBondContact OD2-NE 3.37Å; D20-R25 IonicContact OD2-NH2 3.83Å; D20-R25 PolarHBondContact OD2-NH2 3.24Å
21F81.3Confident86.1Confident2 Ų249 Ų491%0.00926%0.255CS..SBendtrans-105.3129.2169.9-64.1-69.9000110.3G19 P23 T24 R25 A28 F142 V172 T176 L178G19-F21 VanDerWaalsContact C-N 3.27Å; F21-P23 CarbonylContact O-C 3.38Å; F21-T24 CarbonylContact O-C 3.34Å; F21-T24 VanDerWaalsContact O-CA 3.31Å; F21-T24 WeakPolarHBondContact O-CA 3.21Å; F21-T24 PolarHBondContact O-N 3.27Å; F21-T24 VanDerWaalsContact O-N 3.13Å; F21-R25 HydrophobicContact CD2-CB 4.34Å; F21-R25 HydrophobicContact CD2-CG 3.87Å; F21-A28 HydrophobicContact CB-CB 3.87Å; F21-F142 HydrophobicContact CE2-CB 4.16Å; F21-V172 HydrophobicContact CE1-CG1 4.35Å; F21-V172 HydrophobicContact CZ-CG1 4.45Å; F21-T176 WeakPolarHBondContact CD1-O 3.44Å; F21-T176 WeakPolarHBondContact CE1-O 3.32Å; F21-L178 HydrophobicContact CD1-CD2 3.31Å; F21-L178 HydrophobicContact CD1-CG 3.88Å; F21-L178 HydrophobicContact CD2-CD1 4.44Å; F21-L178 HydrophobicContact CD2-CD2 3.97Å; F21-L178 HydrophobicContact CD2-CG 4.42Å; F21-L178 HydrophobicContact CE1-CD2 3.1Å; F21-L178 HydrophobicContact CE1-CG 4.17Å; F21-L178 HydrophobicContact CE2-CD2 3.77Å; F21-L178 HydrophobicContact CG-CD1 4.41Å; F21-L178 HydrophobicContact CG-CD2 3.75Å; F21-L178 HydrophobicContact CG-CG 4.02Å; F21-L178 HydrophobicContact CZ-CD2 3.33Å
22F78.6Confident86Confident177 Ų17749 Ų4978%0.77626%0.255SS*.SBendtrans-78.8135.1176.8-173.1-94.2000110.3
23P80.9Confident86.1Confident79 Ų7948.8 Ų48.851%0.51325%0.253SS..SBendcis-79.5-29.2-4.3-17.733.3000115.5F21F21-P23 CarbonylContact O-C 3.38Å
24T85.6Confident86.1Confident64 Ų6448.9 Ų48.939%0.39326%0.255SS..  trans-154.2146.1173.9-60.70000107.3F21 L26 Q27 A28F21-T24 CarbonylContact O-C 3.34Å; F21-T24 VanDerWaalsContact O-CA 3.31Å; F21-T24 WeakPolarHBondContact O-CA 3.21Å; F21-T24 PolarHBondContact O-N 3.27Å; F21-T24 VanDerWaalsContact O-N 3.13Å; T24-L26 VanDerWaalsContact C-N 3.28Å; T24-L26 HydrophobicContact CG2-CB 4.38Å; T24-L26 PolarHBondContact O-N 3Å; T24-Q27 PolarHBondContact O-N 3.03Å; T24-A28 PolarHBondContact O-N 2.71Å
25R87.3Confident86.2Confident14 Ų1447.1 Ų47.15%0.05325%0.245CC..Hα-helixtrans-54.9-42-178.3-172.6-179.6-59.2-178.2-3.4113Y15 M16 N18 D20 F21 Q27 A28 Q29 G113Y15-R25 PolarHBondContact O-NH1 2.95Å; M16-R25 HydrophobicContact CE-CG 4.25Å; M16-R25 VanDerWaalsContact SD-CD 3.52Å; M16-R25 HydrophobicContact SD-CG 3.75Å; N18-R25 WeakPolarHBondContact O-CB 3.36Å; N18-R25 PolarHBondContact O-N 2.72Å; D20-R25 IonicContact OD1-CZ 2.64Å; D20-R25 VanDerWaalsContact OD1-CZ 3.29Å; D20-R25 IonicContact OD1-NE 3.07Å; D20-R25 PolarHBondContact OD1-NE 2.96Å; D20-R25 IonicContact OD1-NH2 3.29Å; D20-R25 PolarHBondContact OD1-NH2 3.47Å; D20-R25 VanDerWaalsContact OD1-NH2 3.09Å; D20-R25 IonicContact OD2-CZ 3.07Å; D20-R25 VanDerWaalsContact OD2-CZ 3.31Å; D20-R25 IonicContact OD2-NE 3.79Å; D20-R25 PolarHBondContact OD2-NE 3.37Å; D20-R25 IonicContact OD2-NH2 3.83Å; D20-R25 PolarHBondContact OD2-NH2 3.24Å; F21-R25 HydrophobicContact CD2-CB 4.34Å; F21-R25 HydrophobicContact CD2-CG 3.87Å; R25-Q27 PolarHBondContact O-N 3.32Å; R25-A28 PolarHBondContact O-N 3.39Å; R25-Q29 WeakPolarHBondContact O-CB 3.26Å; R25-Q29 PolarHBondContact O-N 3.36Å; R25-G113 PolarHBondContact NH1-O 3.3Å
26L86.8Confident86.3Confident31 Ų3142.5 Ų42.516%0.16223%0.227CC..Hα-helixtrans-59.4-43.2174-175.371.5000113T24 Q29 N30 V77T24-L26 VanDerWaalsContact C-N 3.28Å; T24-L26 HydrophobicContact CG2-CB 4.38Å; T24-L26 PolarHBondContact O-N 3Å; L26-Q29 PolarHBondContact O-N 3.44Å; L26-N30 VanDerWaalsContact O-CG 3.3Å; L26-N30 PolarHBondContact O-N 2.99Å; L26-N30 PolarHBondContact O-ND2 3.13Å; L26-V77 HydrophobicContact CD1-CG1 4.2Å
27Q88.2Confident86.5Confident70 Ų7042.3 Ų42.333%0.32723%0.226SC..Hα-helixtrans-69.3-43.8179.2-173.260.628.800110.9T24 R25 Q29 N30 D31T24-Q27 PolarHBondContact O-N 3.03Å; R25-Q27 PolarHBondContact O-N 3.32Å; Q27-Q29 PolarHBondContact O-N 3.31Å; Q27-N30 WeakPolarHBondContact O-CB 3.15Å; Q27-N30 PolarHBondContact O-N 3.34Å; Q27-N30 VanDerWaalsContact O-N 3.14Å; Q27-D31 PolarHBondContact NE2-OD1 2.64Å; Q27-D31 WeakPolarHBondContact O-CB 3.41Å; Q27-D31 PolarHBondContact O-N 3.36Å
28A88.2Confident86.6Confident3 Ų339.8 Ų39.83%0.02522%0.221CC..Hα-helixtrans-58.6-38175.800000111.6F21 T24 R25 A32 L178F21-A28 HydrophobicContact CB-CB 3.87Å; T24-A28 PolarHBondContact O-N 2.71Å; R25-A28 PolarHBondContact O-N 3.39Å; A28-A32 VanDerWaalsContact O-CB 3.23Å; A28-A32 WeakPolarHBondContact O-CB 3.39Å; A28-A32 PolarHBondContact O-N 3.16Å; A28-L178 HydrophobicContact CB-CD1 3.78Å; A28-L178 HydrophobicContact CB-CG 3.93Å
29Q90.1Very high86.9Confident5 Ų536.9 Ų36.92%0.02321%0.206CC..Hα-helixtrans-68.2-45.3174-173.2-176.125.500112.5V10 D11 R25 L26 Q27 D31 A32 V33 F111V10-Q29 VanDerWaalsContact CG1-CD 3.48Å; V10-Q29 HydrophobicContact CG1-CG 4.25Å; V10-Q29 VanDerWaalsContact CG1-NE2 3.25Å; D11-Q29 PolarHBondContact O-NE2 3.21Å; D11-Q29 PolarHBondContact O-OE1 2.94Å; D11-Q29 VanDerWaalsContact O-OE1 3.1Å; R25-Q29 WeakPolarHBondContact O-CB 3.26Å; R25-Q29 PolarHBondContact O-N 3.36Å; L26-Q29 PolarHBondContact O-N 3.44Å; Q27-Q29 PolarHBondContact O-N 3.31Å; Q29-D31 VanDerWaalsContact C-N 3.3Å; Q29-D31 PolarHBondContact O-N 3Å; Q29-A32 WeakPolarHBondContact O-CB 3.46Å; Q29-A32 PolarHBondContact O-N 3.3Å; Q29-V33 VanDerWaalsContact O-CG2 3.31Å; Q29-V33 WeakPolarHBondContact O-CG2 3.4Å; Q29-V33 PolarHBondContact O-N 3.42Å; Q29-F111 HydrophobicContact CG-CD1 3.99Å; Q29-F111 HydrophobicContact CG-CG 4.36Å
30N90.3Very high87.2Confident9 Ų933.8 Ų33.85%0.04817%0.174CC..Hα-helixtrans-57.6-46.3177.6-77.6-22.9000111.6L26 Q27 V33 G34L26-N30 VanDerWaalsContact O-CG 3.3Å; L26-N30 PolarHBondContact O-N 2.99Å; L26-N30 PolarHBondContact O-ND2 3.13Å; Q27-N30 WeakPolarHBondContact O-CB 3.15Å; Q27-N30 PolarHBondContact O-N 3.34Å; Q27-N30 VanDerWaalsContact O-N 3.14Å; N30-V33 PolarHBondContact O-N 3.46Å; N30-G34 PolarHBondContact O-N 3.39Å
31D89.8Confident87.3Confident61 Ų6133.9 Ų33.933%0.32617%0.171SC..Hα-helixtrans-66.2-42.4179.3-59.7-23.7000109.5Q27 Q29 V33 G34 L35 H179Q27-D31 PolarHBondContact NE2-OD1 2.64Å; Q27-D31 WeakPolarHBondContact O-CB 3.41Å; Q27-D31 PolarHBondContact O-N 3.36Å; Q29-D31 VanDerWaalsContact C-N 3.3Å; Q29-D31 PolarHBondContact O-N 3Å; D31-V33 PolarHBondContact O-N 3.41Å; D31-G34 WeakPolarHBondContact O-CA 3.43Å; D31-G34 PolarHBondContact O-N 3.26Å; D31-L35 PolarHBondContact O-N 3.25Å; D31-H179 WeakPolarHBondContact CB-CE1 3.44Å; D31-H179 WeakPolarHBondContact CB-NE2 3.5Å; D31-H179 PolarHBondContact O-CE1 3.45Å; D31-H179 VanDerWaalsContact O-CE1 3.28Å; D31-H179 IonicContact OD2-NE2 2.71Å
32A89.3Confident87.6Confident0 Ų041.4 Ų41.40%021%0.206CC..Hα-helixtrans-60.3-41176.700000112.8A28 Q29 G34 L35 I36 F111 L178 H179 L182A28-A32 VanDerWaalsContact O-CB 3.23Å; A28-A32 WeakPolarHBondContact O-CB 3.39Å; A28-A32 PolarHBondContact O-N 3.16Å; Q29-A32 WeakPolarHBondContact O-CB 3.46Å; Q29-A32 PolarHBondContact O-N 3.3Å; A32-G34 VanDerWaalsContact C-N 3.29Å; A32-G34 PolarHBondContact O-N 3.39Å; A32-L35 PolarHBondContact O-N 3.21Å; A32-I36 WeakPolarHBondContact O-CG1 3.45Å; A32-I36 PolarHBondContact O-N 3.49Å; A32-I36 VanDerWaalsContact O-N 3.13Å; A32-F111 HydrophobicContact CB-CE1 3.86Å; A32-F111 HydrophobicContact CB-CZ 4.28Å; A32-L178 HydrophobicContact CB-CB 4.45Å; A32-H179 PolarHBondContact N-CE1 2.9Å; A32-L182 HydrophobicContact CB-CD1 3.42Å; A32-L182 VanDerWaalsContact CB-CD1 3.42Å
33V90.9Very high88Confident0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-62.3-40.7172.3173.90000110.4I8 V10 Q29 N30 D31 L35 I36 C37 L74 F111I8-V33 HydrophobicContact CD1-CG1 3.91Å; I8-V33 HydrophobicContact CG2-CG1 4.05Å; I8-V33 HydrophobicContact CG2-CG2 3.91Å; V10-V33 HydrophobicContact CG2-CG2 3.87Å; Q29-V33 VanDerWaalsContact O-CG2 3.31Å; Q29-V33 WeakPolarHBondContact O-CG2 3.4Å; Q29-V33 PolarHBondContact O-N 3.42Å; N30-V33 PolarHBondContact O-N 3.46Å; D31-V33 PolarHBondContact O-N 3.41Å; V33-L35 VanDerWaalsContact C-N 3.35Å; V33-L35 PolarHBondContact O-N 3.42Å; V33-I36 PolarHBondContact O-N 3.46Å; V33-C37 PolarHBondContact O-N 2.67Å; V33-C37 PolarHBondContact O-SG 3.15Å; V33-L74 HydrophobicContact CB-CD1 4.09Å; V33-L74 HydrophobicContact CG1-CD1 3.68Å; V33-L74 HydrophobicContact CG1-CD2 4.35Å; V33-F111 HydrophobicContact CG2-CD2 4.3Å; V33-F111 HydrophobicContact CG2-CE2 3.79Å; V33-F111 HydrophobicContact CG2-CZ 3.92Å
34G89.9Confident88.2Confident3 Ų333.1 Ų33.13%0.03116%0.161CC..Hα-helixtrans-58.1-45.2175.800000112.8N30 D31 A32 C37 Q38 Y71N30-G34 PolarHBondContact O-N 3.39Å; D31-G34 WeakPolarHBondContact O-CA 3.43Å; D31-G34 PolarHBondContact O-N 3.26Å; A32-G34 VanDerWaalsContact C-N 3.29Å; A32-G34 PolarHBondContact O-N 3.39Å; G34-C37 WeakPolarHBondContact O-CB 3.48Å; G34-C37 PolarHBondContact O-N 3.45Å; G34-Q38 WeakPolarHBondContact O-CG 3.49Å; G34-Q38 PolarHBondContact O-N 2.76Å; G34-Y71 WeakPolarHBondContact CA-OH 3.43Å
35L88.7Confident88.2Confident30 Ų3035 Ų3516%0.15717%0.174CC..Hα-helixtrans-61.5-46.7176.6179.566.5000112.2D31 A32 V33 C37 Q38 S39 L182 M183D31-L35 PolarHBondContact O-N 3.25Å; A32-L35 PolarHBondContact O-N 3.21Å; V33-L35 VanDerWaalsContact C-N 3.35Å; V33-L35 PolarHBondContact O-N 3.42Å; L35-C37 VanDerWaalsContact C-N 3.28Å; L35-C37 PolarHBondContact O-N 2.9Å; L35-Q38 PolarHBondContact O-N 3.5Å; L35-S39 WeakPolarHBondContact O-CB 3.08Å; L35-S39 PolarHBondContact O-N 3.04Å; L35-L182 HydrophobicContact CD2-CB 4.33Å; L35-M183 HydrophobicContact CD1-SD 3.56Å; L35-M183 VanDerWaalsContact CD1-SD 3.56Å; L35-M183 HydrophobicContact CD2-CG 3.74Å; L35-M183 HydrophobicContact CD2-SD 3.5Å; L35-M183 WeakPolarHBondContact CD2-SD 3.45Å; L35-M183 HydrophobicContact CG-SD 3.97Å
36I89Confident88.2Confident1 Ų139.1 Ų39.11%0.00519%0.194CC..Hα-helixtrans-61.3-40.9177.1-65.5177000110.4I8 A32 V33 Q38 K40 V109 F111 I140 V187I8-I36 HydrophobicContact CD1-CB 4.44Å; I8-I36 HydrophobicContact CD1-CG2 4.01Å; A32-I36 WeakPolarHBondContact O-CG1 3.45Å; A32-I36 PolarHBondContact O-N 3.49Å; A32-I36 VanDerWaalsContact O-N 3.13Å; V33-I36 PolarHBondContact O-N 3.46Å; I36-Q38 PolarHBondContact O-N 3.33Å; I36-K40 HydrophobicContact CG2-CG 4.19Å; I36-K40 WeakPolarHBondContact O-CB 3.48Å; I36-K40 VanDerWaalsContact O-CG 3.25Å; I36-K40 WeakPolarHBondContact O-CG 3.23Å; I36-K40 PolarHBondContact O-N 2.89Å; I36-V109 HydrophobicContact CD1-CG1 3.99Å; I36-F111 HydrophobicContact CD1-CE2 3.91Å; I36-F111 HydrophobicContact CD1-CZ 3.51Å; I36-I140 HydrophobicContact CD1-CD1 4.13Å; I36-V187 HydrophobicContact CD1-CG1 4.04Å; I36-V187 HydrophobicContact CG1-CG1 4.2Å; I36-V187 HydrophobicContact CG2-CG1 4.33Å
37C89Confident88.4Confident1 Ų137.7 Ų37.71%0.00719%0.186CC..Hα-helixtrans-62.2-43.8177.5-67.80000112.1V33 G34 L35 R41 I49 V67V33-C37 PolarHBondContact O-N 2.67Å; V33-C37 PolarHBondContact O-SG 3.15Å; G34-C37 WeakPolarHBondContact O-CB 3.48Å; G34-C37 PolarHBondContact O-N 3.45Å; L35-C37 VanDerWaalsContact C-N 3.28Å; L35-C37 PolarHBondContact O-N 2.9Å; C37-R41 WeakPolarHBondContact O-CB 3.49Å; C37-R41 PolarHBondContact O-N 3.09Å; C37-I49 HydrophobicContact CB-CD1 3.87Å; C37-V67 HydrophobicContact CB-CG1 3.79Å
38Q88.6Confident88.6Confident98 Ų9834.5 Ų34.546%0.45817%0.172SC..Hα-helixtrans-65.9-49.5177.7-72175.4-1.500111.4G34 L35 I36 K40 R41 Q42G34-Q38 WeakPolarHBondContact O-CG 3.49Å; G34-Q38 PolarHBondContact O-N 2.76Å; L35-Q38 PolarHBondContact O-N 3.5Å; I36-Q38 PolarHBondContact O-N 3.33Å; Q38-K40 PolarHBondContact O-N 3.08Å; Q38-R41 PolarHBondContact O-N 3.16Å; Q38-R41 VanDerWaalsContact O-N 3.16Å; Q38-Q42 WeakPolarHBondContact O-CB 3.22Å; Q38-Q42 WeakPolarHBondContact O-CG 3.42Å; Q38-Q42 PolarHBondContact O-N 3.39Å
39S88.1Confident88.8Confident11 Ų1134.4 Ų34.48%0.07717%0.171CC..Hα-helixtrans-57.7-46.1177.8174.20000111.8L35 R41 Q42 R43L35-S39 WeakPolarHBondContact O-CB 3.08Å; L35-S39 PolarHBondContact O-N 3.04Å; S39-R41 PolarHBondContact O-N 2.69Å; S39-Q42 PolarHBondContact O-N 3.38Å; S39-R43 WeakPolarHBondContact O-CG 3.39Å; S39-R43 PolarHBondContact O-N 2.88Å
40K87.1Confident88.9Confident1 Ų134.3 Ų34.30%0.00417%0.171CC..Hα-helixtrans-66.5-35.1178.3-68-64.5-176.4179.80112.4E4 I36 Q38 N44 N47 I49E4-K40 IonicContact OE2-NZ 3.48Å; E4-K40 PolarHBondContact OE2-NZ 2.76Å; I36-K40 HydrophobicContact CG2-CG 4.19Å; I36-K40 WeakPolarHBondContact O-CB 3.48Å; I36-K40 VanDerWaalsContact O-CG 3.25Å; I36-K40 WeakPolarHBondContact O-CG 3.23Å; I36-K40 PolarHBondContact O-N 2.89Å; Q38-K40 PolarHBondContact O-N 3.08Å; K40-N44 PolarHBondContact O-N 3.49Å; K40-N47 PolarHBondContact O-ND2 3.1Å; K40-I49 HydrophobicContact CB-CD1 4.41Å
41R86.8Confident89.1Confident52 Ų5234 Ų3420%0.19617%0.169CC..Hα-helixtrans-68.8-39.9174.3177.766.669.8-132.2-30.4112C37 Q38 S39 N44 P45 N47 N65C37-R41 WeakPolarHBondContact O-CB 3.49Å; C37-R41 PolarHBondContact O-N 3.09Å; Q38-R41 PolarHBondContact O-N 3.16Å; Q38-R41 VanDerWaalsContact O-N 3.16Å; S39-R41 PolarHBondContact O-N 2.69Å; R41-N44 CarbonylContact O-C 3.6Å; R41-N44 PolarHBondContact O-N 3.02Å; R41-P45 PolarHBondContact NH1-O 3Å; R41-N47 PolarHBondContact NH1-O 2.98Å; R41-N47 PolarHBondContact NH2-O 3.29Å; R41-N47 VanDerWaalsContact NH2-O 3.1Å; R41-N65 PolarHBondContact NH2-O 3.22Å
42Q87.3Confident89.3Confident159 Ų15931.1 Ų31.174%0.74315%0.154SC*.Hα-helixtrans-65.2-39.6178.6-74.7172-200111.6Q38 S39 N44Q38-Q42 WeakPolarHBondContact O-CB 3.22Å; Q38-Q42 WeakPolarHBondContact O-CG 3.42Å; Q38-Q42 PolarHBondContact O-N 3.39Å; S39-Q42 PolarHBondContact O-N 3.38Å; Q42-N44 PolarHBondContact O-N 3.14Å
43R85.9Confident89.4Confident61 Ų6131.1 Ų31.123%0.2315%0.154CC..Hα-helixtrans-62.8-40.5175.5-71.7-167.7-162.7163.912.9113.3S39 V187 V188 G190S39-R43 WeakPolarHBondContact O-CG 3.39Å; S39-R43 PolarHBondContact O-N 2.88Å; R43-V187 PolarHBondContact NH2-O 3.47Å; R43-V188 VanDerWaalsContact NH2-CA 3.32Å; R43-V188 PolarHBondContact NH2-O 3.21Å; R43-G190 VanDerWaalsContact CZ-CA 3.45Å; R43-G190 VanDerWaalsContact NH1-CA 3.26Å; R43-G190 VanDerWaalsContact NH2-CA 3.28Å
44N86Confident89.4Confident22 Ų2231.2 Ų31.212%0.11815%0.154CC..  trans-152.1130.1170.4-69.8-72.3000111M1 S2 K40 R41 Q42 E46 N47M1-N44 WeakPolarHBondContact CB-OD1 2.86Å; S2-N44 PolarHBondContact O-ND2 3.26Å; K40-N44 PolarHBondContact O-N 3.49Å; R41-N44 CarbonylContact O-C 3.6Å; R41-N44 PolarHBondContact O-N 3.02Å; Q42-N44 PolarHBondContact O-N 3.14Å; N44-E46 PolarHBondContact O-N 2.99Å; N44-E46 VanDerWaalsContact O-N 3.16Å; N44-N47 WeakPolarHBondContact O-CB 3.49Å; N44-N47 PolarHBondContact O-N 2.81Å; N44-N47 VanDerWaalsContact O-N 3.16Å
45P86.2Confident89.2Confident102 Ų10231.7 Ų31.766%0.66216%0.158SC*.THydrogen-bonded Turntrans-67.6-14.8177.227.5-34.9000113.6R41R41-P45 PolarHBondContact NH1-O 3Å
46E87.3Confident88.9Confident101 Ų10133.7 Ų33.747%0.47217%0.169SC..THydrogen-bonded Turntrans-92.20.9177.1-62.2-166.6162.900114.1Q3 N44 T48 Q104Q3-E46 VanDerWaalsContact CD-OE2 3.3Å; Q3-E46 PolarHBondContact NE2-OE2 2.85Å; N44-E46 PolarHBondContact O-N 2.99Å; N44-E46 VanDerWaalsContact O-N 3.16Å; E46-T48 PolarHBondContact O-N 3.38Å; E46-Q104 PolarHBondContact O-NE2 3.46Å
47N90.3Very high88.8Confident1 Ų135.7 Ų35.71%0.00518%0.181CC..  trans-67.6126.8178-77.5-9.6000111Q3 E4 K40 R41 N44 N65Q3-N47 WeakPolarHBondContact CA-OD1 3.42Å; E4-N47 PolarHBondContact N-OD1 3.19Å; E4-N47 PolarHBondContact O-OD1 3.41Å; K40-N47 PolarHBondContact O-ND2 3.1Å; R41-N47 PolarHBondContact NH1-O 2.98Å; R41-N47 PolarHBondContact NH2-O 3.29Å; R41-N47 VanDerWaalsContact NH2-O 3.1Å; N44-N47 WeakPolarHBondContact O-CB 3.49Å; N44-N47 PolarHBondContact O-N 2.81Å; N44-N47 VanDerWaalsContact O-N 3.16Å; N47-N65 PolarHBondContact O-OD1 2.97Å; N47-N65 VanDerWaalsContact O-OD1 3.08Å
48T91.8Very high88.8Confident4 Ų439.8 Ų39.83%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-96.2135.1177.257.70000109.8E4 T6 E46 N65 Q104E4-T48 PolarHBondContact O-N 2.88Å; T6-T48 PolarHBondContact N-O 3.39Å; E46-T48 PolarHBondContact O-N 3.38Å; T48-N65 WeakPolarHBondContact CA-OD1 3.42Å; T48-N65 WeakPolarHBondContact CG2-OD1 3.45Å; T48-Q104 PolarHBondContact OG1-OE1 3.05Å
49I92.4Very high88.9Confident1 Ų138.1 Ų38.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-119.8135.7179.2-57155.1000108.9T6 I8 C37 K40 T64 I70T6-I49 CarbonylContact O-C 3.48Å; T6-I49 VanDerWaalsContact O-CA 3.28Å; T6-I49 WeakPolarHBondContact O-CA 3.43Å; I8-I49 HydrophobicContact CD1-CG2 3.67Å; I8-I49 HydrophobicContact CG1-CG2 4.07Å; C37-I49 HydrophobicContact CB-CD1 3.87Å; K40-I49 HydrophobicContact CB-CD1 4.41Å; I49-T64 PolarHBondContact N-O 2.85Å; I49-T64 WeakPolarHBondContact O-CG2 3.21Å; I49-T64 PolarHBondContact O-N 3Å; I49-I70 HydrophobicContact CB-CD1 3.75Å; I49-I70 HydrophobicContact CG2-CD1 3.63Å
50G93.3Very high89Confident2 Ų239.6 Ų39.62%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-118.1157.7173.300000111.4T6 I8T6-G50 PolarHBondContact O-N 3.21Å; I8-G50 PolarHBondContact N-O 3.47Å
51L93.8Very high89.1Confident2 Ų240.3 Ų40.31%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-122.9127.4-180-177.268.6000110.5V10 L60 C61 I70 R73 L74V10-L51 HydrophobicContact CB-CD1 4.42Å; V10-L51 HydrophobicContact CG2-CD1 3.48Å; V10-L51 VanDerWaalsContact CG2-CD1 3.48Å; L51-L60 HydrophobicContact CB-CB 4.49Å; L51-L60 HydrophobicContact CD2-CB 3.96Å; L51-L60 HydrophobicContact CD2-CD1 3.83Å; L51-L60 HydrophobicContact CG-CB 4.18Å; L51-L60 HydrophobicContact CG-CD1 4.16Å; L51-L60 PolarHBondContact O-N 3.07Å; L51-C61 HydrophobicContact CB-CB 3.8Å; L51-C61 PolarHBondContact N-O 3.17Å; L51-C61 PolarHBondContact O-N 3.16Å; L51-C61 VanDerWaalsContact O-N 3.12Å; L51-I70 HydrophobicContact CB-CG2 4.44Å; L51-I70 HydrophobicContact CD2-CG2 4.33Å; L51-R73 HydrophobicContact CD2-CB 3.91Å; L51-L74 HydrophobicContact CD1-CD2 3.62Å; L51-L74 HydrophobicContact CD1-CG 4.35Å; L51-L74 HydrophobicContact CD2-CD2 3.8Å; L51-L74 HydrophobicContact CD2-CG 3.89Å; L51-L74 HydrophobicContact CG-CD2 4.37Å
52L93.6Very high89.3Confident2 Ų242.9 Ų42.91%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-126.4141.5178.7175.965.9000109.6I7 I8 A9 V10 E58 V59 S88 I91 A92I7-L52 HydrophobicContact CG2-CB 4.02Å; I8-L52 PolarHBondContact O-N 3.16Å; A9-L52 CarbonylContact C-O 3.02Å; A9-L52 WeakPolarHBondContact CA-O 3.47Å; A9-L52 HydrophobicContact CB-CB 4.38Å; A9-L52 HydrophobicContact CB-CD2 4.19Å; A9-L52 HydrophobicContact CB-CG 4.49Å; V10-L52 PolarHBondContact N-O 3.46Å; L52-E58 WeakPolarHBondContact CD1-O 3.28Å; L52-V59 HydrophobicContact CD1-CG2 3.94Å; L52-S88 WeakPolarHBondContact CD2-O 3.46Å; L52-I91 HydrophobicContact CD1-CG2 4.09Å; L52-A92 HydrophobicContact CD2-CB 3.81Å
53S92Very high89.5Confident0 Ų036.7 Ų36.70%020%0.202CC..EExtended strand (participates in β ladder)trans-97.5133.4170172.90000111N12 T57 E58N12-S53 VanDerWaalsContact CG-OG 3.32Å; N12-S53 WeakPolarHBondContact ND2-CB 3.46Å; N12-S53 PolarHBondContact ND2-OG 2.99Å; S53-T57 VanDerWaalsContact O-CA 3.3Å; S53-T57 WeakPolarHBondContact O-CA 3.3Å; S53-T57 PolarHBondContact O-N 2.96Å; S53-E58 PolarHBondContact N-O 3.05Å
54L90.4Very high89.7Confident1 Ų134.7 Ų34.71%0.00520%0.197CC..THydrogen-bonded Turntrans-78.8-27.6178.6-68.3-179.3000114.4A9 V10 D11 I83 I84 S88 F111A9-L54 HydrophobicContact CB-CD2 3.73Å; A9-L54 HydrophobicContact CB-CG 4.12Å; V10-L54 PolarHBondContact O-N 3.24Å; D11-L54 HydrophobicContact CB-CD1 4.21Å; L54-I83 HydrophobicContact CB-CG2 4.12Å; L54-I84 PolarHBondContact O-N 3.18Å; L54-S88 WeakPolarHBondContact CD2-OG 3.49Å; L54-S88 PolarHBondContact O-OG 3.41Å; L54-F111 WeakPolarHBondContact CD1-O 3.38Å
55A86.4Confident89.9Confident13 Ų1337.2 Ų37.211%0.10721%0.21CC..THydrogen-bonded Turntrans-79.8-47.8-175.300000111.9N12 K80 R82N12-A55 HydrophobicContact CB-CB 3.9Å; A55-K80 WeakPolarHBondContact CB-O 3.45Å; A55-R82 WeakPolarHBondContact CA-O 3.1Å
56N83.2Confident90Very high73 Ų7335.3 Ų35.339%0.3919%0.194SC..THydrogen-bonded Turntrans-87.9-10.8178.9-66.8-15.7000112.6E58N56-E58 HydrophobicContact CB-CB 4.35Å; N56-E58 HydrophobicContact CB-CG 3.91Å; N56-E58 PolarHBondContact ND2-OE1 3.49Å; N56-E58 PolarHBondContact O-N 2.83Å
57T85.6Confident90.1Very high42 Ų4231.8 Ų31.826%0.25818%0.18SC..  trans5537.6-173.264.30000112.7S53 I84 I91S53-T57 VanDerWaalsContact O-CA 3.3Å; S53-T57 WeakPolarHBondContact O-CA 3.3Å; S53-T57 PolarHBondContact O-N 2.96Å; T57-I84 HydrophobicContact CG2-CB 4.07Å; T57-I91 VanDerWaalsContact O-CD1 3.31Å; T57-I91 WeakPolarHBondContact O-CD1 3.47Å
58E88.7Confident90.1Very high87 Ų8735.1 Ų35.141%0.40720%0.203SC..  trans-112.2140-17773.1-174149.700112.5L52 S53 N56 L60L52-E58 WeakPolarHBondContact CD1-O 3.28Å; S53-E58 PolarHBondContact N-O 3.05Å; N56-E58 HydrophobicContact CB-CB 4.35Å; N56-E58 HydrophobicContact CB-CG 3.91Å; N56-E58 PolarHBondContact ND2-OE1 3.49Å; N56-E58 PolarHBondContact O-N 2.83Å; E58-L60 HydrophobicContact CG-CD2 3.82Å; E58-L60 HydrophobicContact CG-CG 4.33Å; E58-L60 PolarHBondContact O-N 3.38Å
59V90.4Very high90Very high63 Ų6340.3 Ų40.338%0.38223%0.225SC..EExtended strand (participates in β ladder)trans-83.6101.3174.9-178.30000108.3L52 T62 I91L52-V59 HydrophobicContact CD1-CG2 3.94Å; V59-T62 HydrophobicContact CG1-CG2 4.43Å; V59-I91 HydrophobicContact CG2-CG2 3.66Å
60L90.3Very high89.9Confident43 Ų4340.4 Ų40.423%0.22523%0.226CC..EExtended strand (participates in β ladder)trans-71.8-36.8179.9-63.7175.9000112L51 E58 R73 V77L51-L60 HydrophobicContact CB-CB 4.49Å; L51-L60 HydrophobicContact CD2-CB 3.96Å; L51-L60 HydrophobicContact CD2-CD1 3.83Å; L51-L60 HydrophobicContact CG-CB 4.18Å; L51-L60 HydrophobicContact CG-CD1 4.16Å; L51-L60 PolarHBondContact O-N 3.07Å; E58-L60 HydrophobicContact CG-CD2 3.82Å; E58-L60 HydrophobicContact CG-CG 4.33Å; E58-L60 PolarHBondContact O-N 3.38Å; L60-R73 HydrophobicContact CB-CB 4.37Å; L60-V77 HydrophobicContact CD1-CG2 3.61Å
61C90.7Very high89.8Confident15 Ų1543.2 Ų43.210%0.10124%0.236CC..EExtended strand (participates in β ladder)trans-139.9124.3177.8-1600000109.8L51L51-C61 HydrophobicContact CB-CB 3.8Å; L51-C61 PolarHBondContact N-O 3.17Å; L51-C61 PolarHBondContact O-N 3.16Å; L51-C61 VanDerWaalsContact O-N 3.12Å
62T90.8Very high89.7Confident107 Ų10748.3 Ų48.366%0.65626%0.264SS*.EExtended strand (participates in β ladder)trans-67.3164.4168.254.60000110.5V59 T64V59-T62 HydrophobicContact CG1-CG2 4.43Å; T62-T64 PolarHBondContact O-N 2.98Å
63L90.8Very high89.5Confident28 Ų2854.5 Ų54.515%0.14729%0.287CS..EExtended strand (participates in β ladder)trans-48115176.6-64.8174.3000111.3A5 I7 R99A5-L63 HydrophobicContact CB-CD1 4.39Å; A5-L63 HydrophobicContact CB-CD2 4.43Å; I7-L63 HydrophobicContact CG1-CD2 3.93Å; L63-R99 HydrophobicContact CD1-CB 3.86Å
64T90.9Very high89.4Confident20 Ų2054.6 Ų54.612%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-136.6153.9-176.4-175.70000110.7I49 T62 D66 I70I49-T64 PolarHBondContact N-O 2.85Å; I49-T64 WeakPolarHBondContact O-CG2 3.21Å; I49-T64 PolarHBondContact O-N 3Å; T62-T64 PolarHBondContact O-N 2.98Å; T64-D66 WeakPolarHBondContact CG2-O 3.36Å; T64-D66 PolarHBondContact OG1-N 3.47Å; T64-D66 VanDerWaalsContact OG1-N 3.15Å; T64-I70 HydrophobicContact CG2-CD1 4.19Å; T64-I70 HydrophobicContact CG2-CG1 4.06Å
65N88.9Confident89.2Confident74 Ų7460.2 Ų60.240%0.39631%0.313SS..SBendtrans-92.1-7.8170.5-68.8-14.7000112.7R41 N47 T48R41-N65 PolarHBondContact NH2-O 3.22Å; N47-N65 PolarHBondContact O-OD1 2.97Å; N47-N65 VanDerWaalsContact O-OD1 3.08Å; T48-N65 WeakPolarHBondContact CA-OD1 3.42Å; T48-N65 WeakPolarHBondContact CG2-OD1 3.45Å
66D89.2Confident89.2Confident62 Ų6265.5 Ų65.533%0.33234%0.339SS..  trans-92.9110.5-176.9-176.5-1.1000110.7T64 S68 K69T64-D66 WeakPolarHBondContact CG2-O 3.36Å; T64-D66 PolarHBondContact OG1-N 3.47Å; T64-D66 VanDerWaalsContact OG1-N 3.15Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 VanDerWaalsContact OD1-CB 3.3Å; D66-S68 WeakPolarHBondContact OD1-CB 3.25Å; D66-S68 PolarHBondContact OD1-N 3.29Å; D66-K69 HydrophobicContact CB-CD 4.1Å; D66-K69 HydrophobicContact CB-CG 4.31Å; D66-K69 VanDerWaalsContact OD2-CE 3.26Å; D66-K69 WeakPolarHBondContact OD2-CE 3.47Å; D66-K69 WeakPolarHBondContact OD2-CG 3.33Å
67V87.8Confident89.3Confident28 Ų2862.6 Ų62.617%0.1732%0.324CS..Hα-helixtrans-71-29.4179.8-162.90000111.1C37 K69 I70 Y71C37-V67 HydrophobicContact CB-CG1 3.79Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 3.38Å; V67-I70 WeakPolarHBondContact O-CB 3.5Å; V67-I70 PolarHBondContact O-N 3.32Å; V67-Y71 HydrophobicContact CB-CE2 4.2Å; V67-Y71 HydrophobicContact CG1-CD2 3.83Å; V67-Y71 HydrophobicContact CG1-CE2 3.28Å; V67-Y71 WeakPolarHBondContact O-CD2 3.28Å; V67-Y71 PolarHBondContact O-N 3.15Å; V67-Y71 VanDerWaalsContact O-N 3.1Å
68S90.8Very high89.3Confident71 Ų7166.2 Ų66.250%0.49734%0.338SS..Hα-helixtrans-63.6-35.4180-580000112D66 I70 Y71 N72D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 VanDerWaalsContact OD1-CB 3.3Å; D66-S68 WeakPolarHBondContact OD1-CB 3.25Å; D66-S68 PolarHBondContact OD1-N 3.29Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 3.01Å; S68-Y71 PolarHBondContact O-N 3.48Å; S68-N72 VanDerWaalsContact O-CG 3.24Å; S68-N72 PolarHBondContact O-N 3.3Å; S68-N72 PolarHBondContact O-ND2 2.97Å
69K90.5Very high89.3Confident112 Ų11263.3 Ų63.349%0.48733%0.327SS..Hα-helixtrans-63.2-35.6173.6-74.8175.7-169.9172.30112.5D66 V67 R73D66-K69 HydrophobicContact CB-CD 4.1Å; D66-K69 HydrophobicContact CB-CG 4.31Å; D66-K69 VanDerWaalsContact OD2-CE 3.26Å; D66-K69 WeakPolarHBondContact OD2-CE 3.47Å; D66-K69 WeakPolarHBondContact OD2-CG 3.33Å; V67-K69 VanDerWaalsContact C-N 3.29Å; V67-K69 PolarHBondContact O-N 3.38Å; K69-R73 VanDerWaalsContact O-CG 3.28Å; K69-R73 WeakPolarHBondContact O-CG 3.31Å; K69-R73 PolarHBondContact O-N 3.06Å
70I90.8Very high89.1Confident3 Ų365 Ų652%0.01533%0.329CS..Hα-helixtrans-69.1-48.7178.8-60.2171.3000109.2I49 L51 T64 V67 S68 N72 R73 L74I49-I70 HydrophobicContact CB-CD1 3.75Å; I49-I70 HydrophobicContact CG2-CD1 3.63Å; L51-I70 HydrophobicContact CB-CG2 4.44Å; L51-I70 HydrophobicContact CD2-CG2 4.33Å; T64-I70 HydrophobicContact CG2-CD1 4.19Å; T64-I70 HydrophobicContact CG2-CG1 4.06Å; V67-I70 WeakPolarHBondContact O-CB 3.5Å; V67-I70 PolarHBondContact O-N 3.32Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 3.01Å; I70-N72 PolarHBondContact O-N 3.33Å; I70-R73 PolarHBondContact O-N 3.1Å; I70-R73 VanDerWaalsContact O-N 3.09Å; I70-L74 HydrophobicContact CG2-CD1 3.88Å; I70-L74 HydrophobicContact CG2-CG 4.2Å; I70-L74 WeakPolarHBondContact O-CG 3.35Å; I70-L74 PolarHBondContact O-N 3.04Å
71Y90.1Very high88.9Confident62 Ų6264.4 Ų64.424%0.24333%0.334CS..Hα-helixtrans-58.1-46.1177.7-71.9-60.6000113.1G34 V67 S68 R73 L74 H75G34-Y71 WeakPolarHBondContact CA-OH 3.43Å; V67-Y71 HydrophobicContact CB-CE2 4.2Å; V67-Y71 HydrophobicContact CG1-CD2 3.83Å; V67-Y71 HydrophobicContact CG1-CE2 3.28Å; V67-Y71 WeakPolarHBondContact O-CD2 3.28Å; V67-Y71 PolarHBondContact O-N 3.15Å; V67-Y71 VanDerWaalsContact O-N 3.1Å; S68-Y71 PolarHBondContact O-N 3.48Å; Y71-R73 PolarHBondContact O-N 3.12Å; Y71-L74 HydrophobicContact CD1-CD1 4.36Å; Y71-L74 PolarHBondContact O-N 3.3Å; Y71-L74 VanDerWaalsContact O-N 3.16Å; Y71-H75 PolarHBondContact O-CD2 3.04Å; Y71-H75 PolarHBondContact O-N 3.42Å
72N91.3Very high88.7Confident109 Ų10972.8 Ų72.858%0.58336%0.363SS*.Hα-helixtrans-61.1-31.7178.5-70.1-17.7000112.4S68 I70 L76S68-N72 VanDerWaalsContact O-CG 3.24Å; S68-N72 PolarHBondContact O-N 3.3Å; S68-N72 PolarHBondContact O-ND2 2.97Å; I70-N72 PolarHBondContact O-N 3.33Å; N72-L76 WeakPolarHBondContact O-CG 3.46Å
73R90.2Very high88.5Confident131 Ų13168.7 Ų68.749%0.49434%0.337SS..Hα-helixtrans-81.6-34.8176.2-66.3-61.6-174.3-164.50.2112.5L51 L60 K69 I70 Y71 L76L51-R73 HydrophobicContact CD2-CB 3.91Å; L60-R73 HydrophobicContact CB-CB 4.37Å; K69-R73 VanDerWaalsContact O-CG 3.28Å; K69-R73 WeakPolarHBondContact O-CG 3.31Å; K69-R73 PolarHBondContact O-N 3.06Å; I70-R73 PolarHBondContact O-N 3.1Å; I70-R73 VanDerWaalsContact O-N 3.09Å; Y71-R73 PolarHBondContact O-N 3.12Å; R73-L76 PolarHBondContact O-N 2.86Å
74L88.7Confident88.4Confident2 Ų270.9 Ų70.91%0.0135%0.348CS..Hα-helixtrans-61.9-41.8175.1-75.7171.5000112.1V10 V33 L51 I70 Y71 L76 V77V10-L74 HydrophobicContact CG2-CD2 4.01Å; V33-L74 HydrophobicContact CB-CD1 4.09Å; V33-L74 HydrophobicContact CG1-CD1 3.68Å; V33-L74 HydrophobicContact CG1-CD2 4.35Å; L51-L74 HydrophobicContact CD1-CD2 3.62Å; L51-L74 HydrophobicContact CD1-CG 4.35Å; L51-L74 HydrophobicContact CD2-CD2 3.8Å; L51-L74 HydrophobicContact CD2-CG 3.89Å; L51-L74 HydrophobicContact CG-CD2 4.37Å; I70-L74 HydrophobicContact CG2-CD1 3.88Å; I70-L74 HydrophobicContact CG2-CG 4.2Å; I70-L74 WeakPolarHBondContact O-CG 3.35Å; I70-L74 PolarHBondContact O-N 3.04Å; Y71-L74 HydrophobicContact CD1-CD1 4.36Å; Y71-L74 PolarHBondContact O-N 3.3Å; Y71-L74 VanDerWaalsContact O-N 3.16Å; L74-L76 PolarHBondContact O-N 3.44Å; L74-V77 VanDerWaalsContact O-CB 3.25Å; L74-V77 WeakPolarHBondContact O-CB 3.42Å; L74-V77 PolarHBondContact O-N 2.78Å; L74-V77 VanDerWaalsContact O-N 3.08Å
75H86.5Confident88.4Confident120 Ų12070 Ų7056%0.55634%0.343SS*.THydrogen-bonded Turntrans-68.1-19.7178.9-68.3-56.1000114.3Y71 V77Y71-H75 PolarHBondContact O-CD2 3.04Å; Y71-H75 PolarHBondContact O-N 3.42Å; H75-V77 VanDerWaalsContact C-N 3.28Å
76L86.4Confident88.4Confident124 Ų12466.5 Ų66.565%0.64932%0.324SS*.THydrogen-bonded Turntrans-85-5175.8-64.5173.2000112.6N72 R73 L74 E78N72-L76 WeakPolarHBondContact O-CG 3.46Å; R73-L76 PolarHBondContact O-N 2.86Å; L74-L76 PolarHBondContact O-N 3.44Å; L76-E78 PolarHBondContact O-N 3.16Å
77V85.3Confident88.4Confident12 Ų1265.6 Ų65.67%0.07332%0.322CS..  trans-75.8116.3178.41660000109.7N12 L26 L60 L74 H75N12-V77 HydrophobicContact CB-CG1 4.07Å; N12-V77 WeakPolarHBondContact ND2-CG1 3.27Å; N12-V77 WeakPolarHBondContact OD1-CG1 3.47Å; L26-V77 HydrophobicContact CD1-CG1 4.2Å; L60-V77 HydrophobicContact CD1-CG2 3.61Å; L74-V77 VanDerWaalsContact O-CB 3.25Å; L74-V77 WeakPolarHBondContact O-CB 3.42Å; L74-V77 PolarHBondContact O-N 2.78Å; L74-V77 VanDerWaalsContact O-N 3.08Å; H75-V77 VanDerWaalsContact C-N 3.28Å
78E86.6Confident88.6Confident117 Ų11764.4 Ų64.455%0.54732%0.315SS..  trans-95.3139.4169.7-64.4175.3156.100109.9L76 K80L76-E78 PolarHBondContact O-N 3.16Å; E78-K80 HydrophobicContact CB-CD 4.39Å; E78-K80 PolarHBondContact O-N 3.39Å; E78-K80 IonicContact OE2-NZ 2.79Å; E78-K80 PolarHBondContact OE2-NZ 3.43Å
79P87.7Confident88.7Confident27 Ų2761.1 Ų61.118%0.17529%0.292CS..  trans-7595.2175.231.5-33.3000108.9N12 M16 R17N12-P79 CarbonylContact O-C 3.59Å; N12-P79 WeakPolarHBondContact O-CA 3.32Å; M16-P79 HydrophobicContact CB-CB 3.83Å; R17-P79 HydrophobicContact CG-CB 3.87Å; R17-P79 HydrophobicContact CG-CG 3.65Å; R17-P79 VanDerWaalsContact CZ-O 3.28Å; R17-P79 PolarHBondContact NE-O 2.93Å; R17-P79 PolarHBondContact NH2-O 3.04Å
80K87Confident88.7Confident97 Ų9760.6 Ų60.642%0.42229%0.287SS..  trans-143.8134.3176.963.5-170.5174-1590111.3N12 D14 A55 E78N12-K80 CarbonylContact O-C 3.37Å; N12-K80 VanDerWaalsContact O-C 3.31Å; N12-K80 PolarHBondContact O-N 3.06Å; N12-K80 VanDerWaalsContact O-O 3.05Å; D14-K80 WeakPolarHBondContact OD1-CA 3.47Å; A55-K80 WeakPolarHBondContact CB-O 3.45Å; E78-K80 HydrophobicContact CB-CD 4.39Å; E78-K80 PolarHBondContact O-N 3.39Å; E78-K80 IonicContact OE2-NZ 2.79Å; E78-K80 PolarHBondContact OE2-NZ 3.43Å
81G85.6Confident88.8Confident32 Ų3262.9 Ų62.933%0.3330%0.298SS..SBendtrans102.9-166.5168.600000114.6S13 D14S13-G81 VanDerWaalsContact CA-O 3.28Å; S13-G81 WeakPolarHBondContact CA-O 3.39Å; D14-G81 PolarHBondContact N-O 3.04Å; D14-G81 PolarHBondContact OD1-N 3.3Å
82R86.4Confident88.9Confident191 Ų19160 Ų6072%0.72129%0.287SS*.  trans-118.5147.2-178-62.9-175.3-179.4-170.6-0.7110A55A55-R82 WeakPolarHBondContact CA-O 3.1Å
83I87.7Confident88.9Confident21 Ų2156 Ų5611%0.10827%0.265CS..  trans-71.4139.6176.855.7166000111.9D11 L54 I112 S114 I116D11-I83 WeakPolarHBondContact OD1-CG2 3.44Å; L54-I83 HydrophobicContact CB-CG2 4.12Å; I83-I112 HydrophobicContact CD1-CG2 4.36Å; I83-S114 WeakPolarHBondContact CD1-OG 2.97Å; I83-S114 VanDerWaalsContact CG1-OG 3.26Å; I83-S114 WeakPolarHBondContact CG1-OG 3.33Å; I83-S114 WeakPolarHBondContact CG2-OG 3.33Å; I83-I116 HydrophobicContact CD1-CB 4.48Å; I83-I116 HydrophobicContact CD1-CG1 3.77Å
84I88.7Confident88.9Confident74 Ų7454 Ų5438%0.37926%0.264SS..  trans-123.296.7166.8-55.2175.3000107.3L54 T57 S88L54-I84 PolarHBondContact O-N 3.18Å; T57-I84 HydrophobicContact CG2-CB 4.07Å; I84-S88 WeakPolarHBondContact O-CB 3.4Å; I84-S88 PolarHBondContact O-N 3.28Å; I84-S88 PolarHBondContact O-OG 2.99Å
85F89Confident89Confident2 Ų255 Ų551%0.00927%0.272CS..Hα-helixtrans-73.6-46-169.5-175-112.5000112.4S87 S88 I89 C110 I112 I116 E118 L123 I139 L152 F155F85-S87 PolarHBondContact O-N 3.06Å; F85-S88 PolarHBondContact O-N 3.33Å; F85-I89 HydrophobicContact CD1-CD1 3.67Å; F85-I89 HydrophobicContact CD2-CD1 4.17Å; F85-I89 HydrophobicContact CE1-CD1 3.16Å; F85-I89 HydrophobicContact CE1-CG1 4.38Å; F85-I89 HydrophobicContact CE2-CD1 3.72Å; F85-I89 HydrophobicContact CE2-CG1 4.21Å; F85-I89 HydrophobicContact CG-CD1 4.16Å; F85-I89 HydrophobicContact CZ-CD1 3.21Å; F85-I89 HydrophobicContact CZ-CG1 4.16Å; F85-I89 PolarHBondContact O-N 2.86Å; F85-I89 VanDerWaalsContact O-N 3.07Å; F85-C110 HydrophobicContact CE2-CB 4.38Å; F85-I112 HydrophobicContact CD2-CD1 4.04Å; F85-I112 HydrophobicContact CE2-CD1 3.59Å; F85-I112 HydrophobicContact CE2-CG1 4.4Å; F85-I112 HydrophobicContact CZ-CD1 4.17Å; F85-I116 HydrophobicContact CB-CG2 4.29Å; F85-E118 PolarHBondContact N-OE1 2.96Å; F85-E118 VanDerWaalsContact N-OE1 3.11Å; F85-L123 HydrophobicContact CD1-CD1 3.85Å; F85-L123 HydrophobicContact CE1-CD1 3.53Å; F85-I139 HydrophobicContact CZ-CD1 4.31Å; F85-L152 HydrophobicContact CZ-CD2 4.41Å; F85-F155 HydrophobicContact CE1-CE1 4.47Å; F85-F155 HydrophobicContact CZ-CE1 4.43Å
86C89Confident89.2Confident0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-65.5-41.9-174.3-780000112.5R90 E118 L126C86-R90 VanDerWaalsContact O-CG 3.28Å; C86-R90 WeakPolarHBondContact O-CG 3.09Å; C86-R90 PolarHBondContact O-N 3.48Å; C86-R90 PolarHBondContact O-NE 3.47Å; C86-E118 VanDerWaalsContact CB-CD 3.46Å; C86-E118 VanDerWaalsContact CB-OE1 3.27Å; C86-E118 WeakPolarHBondContact CB-OE1 3.24Å; C86-E118 WeakPolarHBondContact CB-OE2 3.28Å; C86-E118 PolarHBondContact N-OE1 2.86Å; C86-E118 PolarHBondContact SG-OE2 2.85Å; C86-L126 VanDerWaalsContact CA-CD1 3.44Å; C86-L126 HydrophobicContact CB-CD1 3.48Å; C86-L126 VanDerWaalsContact CB-CD1 3.48Å; C86-L126 WeakPolarHBondContact SG-CD1 3.36Å
87S90.6Very high89.2Confident43 Ų4351.5 Ų51.530%0.30125%0.246SC..Hα-helixtrans-68.2-41.4177.3-64.80000111.4F85 I89 R90 I91F85-S87 PolarHBondContact O-N 3.06Å; S87-I89 PolarHBondContact O-N 3.41Å; S87-R90 PolarHBondContact O-N 2.77Å; S87-I91 WeakPolarHBondContact O-CG1 3.31Å; S87-I91 PolarHBondContact O-N 3.36Å
88S91.7Very high89.2Confident2 Ų258.1 Ų58.11%0.01428%0.276CS..Hα-helixtrans-60-45178.4-63.70000112.4L52 L54 I84 F85 R90 I91 A92L52-S88 WeakPolarHBondContact CD2-O 3.46Å; L54-S88 WeakPolarHBondContact CD2-OG 3.49Å; L54-S88 PolarHBondContact O-OG 3.41Å; I84-S88 WeakPolarHBondContact O-CB 3.4Å; I84-S88 PolarHBondContact O-N 3.28Å; I84-S88 PolarHBondContact O-OG 2.99Å; F85-S88 PolarHBondContact O-N 3.33Å; S88-R90 VanDerWaalsContact C-N 3.34Å; S88-R90 PolarHBondContact O-N 2.69Å; S88-I91 PolarHBondContact O-N 3.01Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 3.28Å
89I91.9Very high89.2Confident3 Ų355.3 Ų55.32%0.01526%0.26CS..Hα-helixtrans-64.1-39.2177.7-66.8165.9000111.8F85 S87 I91 A92 H93 I108 L130 F155F85-I89 HydrophobicContact CD1-CD1 3.67Å; F85-I89 HydrophobicContact CD2-CD1 4.17Å; F85-I89 HydrophobicContact CE1-CD1 3.16Å; F85-I89 HydrophobicContact CE1-CG1 4.38Å; F85-I89 HydrophobicContact CE2-CD1 3.72Å; F85-I89 HydrophobicContact CE2-CG1 4.21Å; F85-I89 HydrophobicContact CG-CD1 4.16Å; F85-I89 HydrophobicContact CZ-CD1 3.21Å; F85-I89 HydrophobicContact CZ-CG1 4.16Å; F85-I89 PolarHBondContact O-N 2.86Å; F85-I89 VanDerWaalsContact O-N 3.07Å; S87-I89 PolarHBondContact O-N 3.41Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 3.49Å; I89-A92 PolarHBondContact O-N 3.24Å; I89-H93 PolarHBondContact O-N 3.42Å; I89-I108 HydrophobicContact CG2-CD1 4.49Å; I89-L130 HydrophobicContact CG2-CD1 3.97Å; I89-L130 HydrophobicContact CG2-CD2 3.95Å; I89-L130 HydrophobicContact CG2-CG 4.42Å; I89-F155 HydrophobicContact CD1-CZ 4.03Å
90R90.6Very high89Confident100 Ų10061.7 Ų61.738%0.37729%0.287SS..Hα-helixtrans-61.2-41.7177-67.8168.1-1571673.2111.1C86 S87 S88 H93 L94 E122 L126C86-R90 VanDerWaalsContact O-CG 3.28Å; C86-R90 WeakPolarHBondContact O-CG 3.09Å; C86-R90 PolarHBondContact O-N 3.48Å; C86-R90 PolarHBondContact O-NE 3.47Å; S87-R90 PolarHBondContact O-N 2.77Å; S88-R90 VanDerWaalsContact C-N 3.34Å; S88-R90 PolarHBondContact O-N 2.69Å; R90-H93 PolarHBondContact O-N 2.85Å; R90-L94 PolarHBondContact O-N 2.89Å; R90-E122 IonicContact NH2-OE2 3.79Å; R90-E122 PolarHBondContact NH2-OE2 3.07Å; R90-E122 VanDerWaalsContact NH2-OE2 3.07Å; R90-L126 HydrophobicContact CG-CD2 3.83Å
91I93.4Very high88.9Confident51 Ų5160 Ų6026%0.26228%0.283SS..Hα-helixtrans-69.3-40.7177.5-65.4168.5000110.7L52 T57 V59 S87 S88 I89 H93 L94 A95L52-I91 HydrophobicContact CD1-CG2 4.09Å; T57-I91 VanDerWaalsContact O-CD1 3.31Å; T57-I91 WeakPolarHBondContact O-CD1 3.47Å; V59-I91 HydrophobicContact CG2-CG2 3.66Å; S87-I91 WeakPolarHBondContact O-CG1 3.31Å; S87-I91 PolarHBondContact O-N 3.36Å; S88-I91 PolarHBondContact O-N 3.01Å; I89-I91 VanDerWaalsContact C-N 3.3Å; I89-I91 PolarHBondContact O-N 3.49Å; I91-H93 VanDerWaalsContact C-N 3.35Å; I91-H93 PolarHBondContact O-N 3.34Å; I91-L94 WeakPolarHBondContact O-CB 3.41Å; I91-L94 PolarHBondContact O-N 2.85Å; I91-L94 VanDerWaalsContact O-N 3.16Å; I91-A95 WeakPolarHBondContact O-CB 3.44Å; I91-A95 PolarHBondContact O-N 2.93Å
92A92.9Very high88.9Confident1 Ų168.9 Ų68.91%0.00831%0.306CS..Hα-helixtrans-58.2-46.9173.800000111.3I7 L52 S88 I89 L94 A95 L96 I108I7-A92 VanDerWaalsContact CD1-O 3.22Å; I7-A92 WeakPolarHBondContact CD1-O 3.37Å; I7-A92 HydrophobicContact CG2-CB 4.13Å; L52-A92 HydrophobicContact CD2-CB 3.81Å; S88-A92 WeakPolarHBondContact O-CB 3.41Å; S88-A92 PolarHBondContact O-N 3.28Å; I89-A92 PolarHBondContact O-N 3.24Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.06Å; A92-A95 PolarHBondContact O-N 3.28Å; A92-L96 WeakPolarHBondContact O-CG 3.11Å; A92-L96 PolarHBondContact O-N 2.97Å; A92-I108 HydrophobicContact CB-CD1 3.77Å; A92-I108 HydrophobicContact CB-CG1 4.31Å; A92-I108 HydrophobicContact CB-CG2 4.36Å
93H90Very high88.9Confident27 Ų2765.4 Ų65.413%0.12530%0.298CS..Hα-helixtrans-59.2-44.3174.5169.2-113000111.8I89 R90 I91 A95 L96 R97 E133I89-H93 PolarHBondContact O-N 3.42Å; R90-H93 PolarHBondContact O-N 2.85Å; I91-H93 VanDerWaalsContact C-N 3.35Å; I91-H93 PolarHBondContact O-N 3.34Å; H93-A95 VanDerWaalsContact C-N 3.31Å; H93-A95 PolarHBondContact O-N 2.79Å; H93-L96 PolarHBondContact O-N 2.74Å; H93-R97 PolarHBondContact O-N 3.49Å; H93-E133 IonicContact CD2-OE2 3.17Å; H93-E133 PolarHBondContact CD2-OE2 3.42Å; H93-E133 IonicContact CE1-OE1 3.8Å; H93-E133 PolarHBondContact CE1-OE1 3.22Å; H93-E133 IonicContact CE1-OE2 2.96Å; H93-E133 PolarHBondContact CE1-OE2 2.81Å; H93-E133 IonicContact CG-OE2 3.26Å; H93-E133 VanDerWaalsContact CG-OE2 3.26Å; H93-E133 IonicContact ND1-OE1 3.56Å; H93-E133 IonicContact ND1-OE2 3.16Å; H93-E133 PolarHBondContact ND1-OE2 3.22Å; H93-E133 VanDerWaalsContact ND1-OE2 3.16Å; H93-E133 IonicContact NE2-OE1 3.38Å; H93-E133 PolarHBondContact NE2-OE1 3.32Å; H93-E133 IonicContact NE2-OE2 3.07Å; H93-E133 PolarHBondContact NE2-OE2 3.45Å
94L90.6Very high89Confident88 Ų8864.5 Ų64.546%0.46129%0.293SS..Hα-helixtrans-60.2-41.8176.9-176.961.8000112.1R90 I91 A92 L96 R97 H98R90-L94 PolarHBondContact O-N 2.89Å; I91-L94 WeakPolarHBondContact O-CB 3.41Å; I91-L94 PolarHBondContact O-N 2.85Å; I91-L94 VanDerWaalsContact O-N 3.16Å; A92-L94 VanDerWaalsContact C-N 3.34Å; A92-L94 PolarHBondContact O-N 3.06Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 2.8Å; L94-R97 WeakPolarHBondContact O-CB 3.37Å; L94-R97 PolarHBondContact O-N 3.3Å; L94-H98 PolarHBondContact O-CD2 2.94Å
95A91.5Very high88.9Confident23 Ų2365 Ų6519%0.1929%0.292CS..Hα-helixtrans-65.1-34.9177.300000112.4I7 I91 A92 H93 R97 H98I7-A95 HydrophobicContact CD1-CB 3.36Å; I91-A95 WeakPolarHBondContact O-CB 3.44Å; I91-A95 PolarHBondContact O-N 2.93Å; A92-A95 PolarHBondContact O-N 3.28Å; H93-A95 VanDerWaalsContact C-N 3.31Å; H93-A95 PolarHBondContact O-N 2.79Å; A95-R97 VanDerWaalsContact C-N 3.29Å; A95-R97 PolarHBondContact O-N 2.67Å; A95-H98 PolarHBondContact O-N 3.46Å
96L89.6Confident89Confident0 Ų065.9 Ų65.90%030%0.297CS..Hα-helixtrans-66.4-26.6174.3-74.6166000113.4A5 I7 A92 H93 L94 H98 R99 M106 I108 V135A5-L96 HydrophobicContact CB-CD2 3.86Å; A5-L96 WeakPolarHBondContact O-CD2 3.41Å; I7-L96 HydrophobicContact CD1-CD2 4.06Å; I7-L96 HydrophobicContact CD1-CG 3.65Å; I7-L96 HydrophobicContact CG1-CD2 3.84Å; I7-L96 HydrophobicContact CG1-CG 3.94Å; A92-L96 WeakPolarHBondContact O-CG 3.11Å; A92-L96 PolarHBondContact O-N 2.97Å; H93-L96 PolarHBondContact O-N 2.74Å; L94-L96 VanDerWaalsContact C-N 3.33Å; L94-L96 PolarHBondContact O-N 2.8Å; L96-H98 VanDerWaalsContact C-N 3.25Å; L96-H98 PolarHBondContact O-N 2.83Å; L96-R99 WeakPolarHBondContact O-CD 3.45Å; L96-R99 WeakPolarHBondContact O-CG 3.36Å; L96-R99 PolarHBondContact O-N 3.32Å; L96-M106 HydrophobicContact CB-CG 4.23Å; L96-M106 HydrophobicContact CB-SD 3.87Å; L96-M106 HydrophobicContact CD1-CB 4.08Å; L96-M106 HydrophobicContact CD1-CG 4.42Å; L96-M106 HydrophobicContact CD2-CG 4.49Å; L96-I108 HydrophobicContact CD1-CD1 3.96Å; L96-I108 HydrophobicContact CD1-CG1 3.57Å; L96-V135 HydrophobicContact CD1-CG1 4.17Å
97R87.2Confident89.1Confident170 Ų17066.1 Ų66.164%0.64230%0.298SS*.Hα-helixtrans-68.7-23.5175.9-66.5-176.469.2-1471.5113.3H93 L94 A95 R99H93-R97 PolarHBondContact O-N 3.49Å; L94-R97 WeakPolarHBondContact O-CB 3.37Å; L94-R97 PolarHBondContact O-N 3.3Å; A95-R97 VanDerWaalsContact C-N 3.29Å; A95-R97 PolarHBondContact O-N 2.67Å; R97-R99 VanDerWaalsContact C-N 3.27Å; R97-R99 PolarHBondContact O-N 2.96Å
98H86.5Confident89.2Confident152 Ų15264.1 Ų64.170%0.70428%0.284SS*.THydrogen-bonded Turntrans-90.823.7178.7-73.1-78.3000113.5L94 A95 L96L94-H98 PolarHBondContact O-CD2 2.94Å; A95-H98 PolarHBondContact O-N 3.46Å; L96-H98 VanDerWaalsContact C-N 3.25Å; L96-H98 PolarHBondContact O-N 2.83Å
99R85.8Confident89.3Confident57 Ų5764 Ų6422%0.21528%0.283CS..  trans-63.8144.417363.6-170.2-178.9-171.47.8112.3L63 L96 R97 L101 R102 Q104L63-R99 HydrophobicContact CD1-CB 3.86Å; L96-R99 WeakPolarHBondContact O-CD 3.45Å; L96-R99 WeakPolarHBondContact O-CG 3.36Å; L96-R99 PolarHBondContact O-N 3.32Å; R97-R99 VanDerWaalsContact C-N 3.27Å; R97-R99 PolarHBondContact O-N 2.96Å; R99-L101 WeakPolarHBondContact CD-O 3.15Å; R99-L101 WeakPolarHBondContact CG-O 3.39Å; R99-L101 PolarHBondContact NE-O 3.33Å; R99-R102 PolarHBondContact NH2-O 3.21Å; R99-Q104 PolarHBondContact NH1-O 3.33Å
100Q83.2Confident89.3Confident161 Ų16164 Ų6475%0.75228%0.283SS*.SBendtrans-69.6-37.7176.4-64.3-176.6-17.900111.3
101L85.6Confident89.3Confident62 Ų6259.2 Ų59.233%0.32527%0.265SS..  trans-111117.7-176.5-64178.5000110.5Q3 R99 H103 Q104Q3-L101 VanDerWaalsContact OE1-CD1 3.28Å; R99-L101 WeakPolarHBondContact CD-O 3.15Å; R99-L101 WeakPolarHBondContact CG-O 3.39Å; R99-L101 PolarHBondContact NE-O 3.33Å; L101-H103 VanDerWaalsContact C-N 3.27Å; L101-H103 PolarHBondContact O-N 2.92Å; L101-Q104 HydrophobicContact CB-CG 3.88Å; L101-Q104 PolarHBondContact O-N 3.29Å
102R84.6Confident89.2Confident219 Ų21956.8 Ų56.883%0.82625%0.253SS*.THydrogen-bonded Turntrans-75.7-9.8-174.4-70.3-156.4-76-138.1-0.6114.8R99R99-R102 PolarHBondContact NH2-O 3.21Å
103H87Confident88.9Confident117 Ų11756.8 Ų56.854%0.54225%0.253SS..THydrogen-bonded Turntrans-92.7-8.1177.560-76.6000114Q3 L101 K105Q3-H103 PolarHBondContact NE2-NE2 2.98Å; Q3-H103 PolarHBondContact OE1-CE1 3.13Å; Q3-H103 PolarHBondContact OE1-NE2 3.47Å; L101-H103 VanDerWaalsContact C-N 3.27Å; L101-H103 PolarHBondContact O-N 2.92Å; H103-K105 PolarHBondContact O-N 2.94Å
104Q88.8Confident88.6Confident3 Ų355.6 Ų55.61%0.01425%0.248CC..SBendtrans-60.3134.6175.7-73.9172.6-18.100110.6Q3 A5 E46 T48 R99 L101Q3-Q104 HydrophobicContact CB-CG 3.85Å; Q3-Q104 WeakPolarHBondContact O-CA 3.43Å; A5-Q104 HydrophobicContact CB-CB 4.08Å; E46-Q104 PolarHBondContact O-NE2 3.46Å; T48-Q104 PolarHBondContact OG1-OE1 3.05Å; R99-Q104 PolarHBondContact NH1-O 3.33Å; L101-Q104 HydrophobicContact CB-CG 3.88Å; L101-Q104 PolarHBondContact O-N 3.29Å
105K88.3Confident88.4Confident83 Ų8352.7 Ų52.736%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-67.2139.1170.6-66.8-176.8179.3179.50109.4S2 Q3 E4 A5 H103S2-K105 WeakPolarHBondContact OG-CD 3.48Å; S2-K105 VanDerWaalsContact OG-CE 3.23Å; S2-K105 WeakPolarHBondContact OG-CE 3.45Å; Q3-K105 PolarHBondContact O-N 3.44Å; E4-K105 WeakPolarHBondContact CA-O 3.26Å; E4-K105 HydrophobicContact CG-CB 4.32Å; A5-K105 PolarHBondContact N-O 3.03Å; H103-K105 PolarHBondContact O-N 2.94Å
106M90.9Very high88Confident22 Ų2251.9 Ų51.911%0.10823%0.226CC..EExtended strand (participates in β ladder)trans-86.8119.3178.2-70.4-168.5-68.900109.7L96 E133 V135 N136L96-M106 HydrophobicContact CB-CG 4.23Å; L96-M106 HydrophobicContact CB-SD 3.87Å; L96-M106 HydrophobicContact CD1-CB 4.08Å; L96-M106 HydrophobicContact CD1-CG 4.42Å; L96-M106 HydrophobicContact CD2-CG 4.49Å; M106-E133 HydrophobicContact CE-CB 4.38Å; M106-E133 WeakPolarHBondContact CE-O 3.41Å; M106-V135 HydrophobicContact CB-CB 4.42Å; M106-V135 HydrophobicContact CB-CG1 4.34Å; M106-V135 HydrophobicContact CB-CG2 4.06Å; M106-V135 HydrophobicContact CE-CG2 3.65Å; M106-V135 HydrophobicContact SD-CG2 4.07Å; M106-N136 PolarHBondContact O-N 3.35Å
107R91Very high87.7Confident5 Ų558.3 Ų58.32%0.01926%0.26CS..EExtended strand (participates in β ladder)trans-129.4136.1176.3-168.9176.2-72.6-82.6-4110.1E4 A5 T6 I7 N136 D138 E191E4-R107 IonicContact OE1-NE 2.85Å; E4-R107 IonicContact OE1-NH2 3.73Å; E4-R107 IonicContact OE2-NE 3Å; E4-R107 PolarHBondContact OE2-NE 2.85Å; A5-R107 PolarHBondContact O-N 3.21Å; T6-R107 CarbonylContact C-O 3.38Å; T6-R107 VanDerWaalsContact CA-O 3.27Å; T6-R107 WeakPolarHBondContact CA-O 3.47Å; I7-R107 PolarHBondContact N-O 3.16Å; R107-N136 CarbonylContact C-O 3.56Å; R107-N136 VanDerWaalsContact CA-O 3.32Å; R107-N136 WeakPolarHBondContact CA-O 3.21Å; R107-N136 HydrophobicContact CG-CB 4.4Å; R107-D138 WeakPolarHBondContact CD-OD2 3.35Å; R107-D138 IonicContact CZ-OD2 3.58Å; R107-D138 IonicContact NH1-OD1 3.6Å; R107-D138 PolarHBondContact NH1-OD1 3.22Å; R107-D138 IonicContact NH1-OD2 2.77Å; R107-D138 PolarHBondContact NH1-OD2 3.09Å; R107-E191 IonicContact CZ-OE2 3.42Å; R107-E191 IonicContact NH1-OE2 3.15Å; R107-E191 IonicContact NH2-OE2 3.62Å; R107-E191 PolarHBondContact NH2-OE2 3.3Å
108I93.1Very high87.5Confident0 Ų052 Ų520%024%0.238CC..EExtended strand (participates in β ladder)trans-117.7130.9171.8-58174.8000106.8I7 I89 A92 L96 C110 V135 N136 V137 D138I7-I108 WeakPolarHBondContact O-CA 3.42Å; I89-I108 HydrophobicContact CG2-CD1 4.49Å; A92-I108 HydrophobicContact CB-CD1 3.77Å; A92-I108 HydrophobicContact CB-CG1 4.31Å; A92-I108 HydrophobicContact CB-CG2 4.36Å; L96-I108 HydrophobicContact CD1-CD1 3.96Å; L96-I108 HydrophobicContact CD1-CG1 3.57Å; I108-C110 VanDerWaalsContact CG2-SG 3.56Å; I108-V135 HydrophobicContact CD1-CG1 3.6Å; I108-V135 HydrophobicContact CG1-CG1 3.78Å; I108-N136 PolarHBondContact N-O 2.99Å; I108-V137 HydrophobicContact CB-CG1 4.42Å; I108-V137 HydrophobicContact CB-CG2 4.26Å; I108-V137 HydrophobicContact CD1-CG2 4.41Å; I108-V137 CarbonylContact O-C 3.56Å; I108-V137 WeakPolarHBondContact O-CA 3.45Å; I108-D138 PolarHBondContact O-N 3.41Å
109V92.4Very high87.6Confident0 Ų050 Ų500%023%0.232CC..EExtended strand (participates in β ladder)trans-114119171.2-179.40000107.5T6 I7 I8 A9 I36 F111 D138 I140 V187T6-V109 HydrophobicContact CG2-CG2 3.82Å; I7-V109 PolarHBondContact O-N 3Å; I8-V109 CarbonylContact C-O 3.54Å; I8-V109 WeakPolarHBondContact CA-O 3.43Å; A9-V109 PolarHBondContact N-O 3.28Å; I36-V109 HydrophobicContact CD1-CG1 3.99Å; V109-F111 HydrophobicContact CG1-CD2 4.42Å; V109-F111 HydrophobicContact CG1-CE2 3.95Å; V109-D138 CarbonylContact C-O 3.31Å; V109-D138 WeakPolarHBondContact CA-O 3.44Å; V109-D138 HydrophobicContact CG2-CB 4.42Å; V109-I140 HydrophobicContact CG1-CD1 3.59Å; V109-I140 HydrophobicContact CG1-CG1 4.41Å; V109-V187 HydrophobicContact CG2-CG1 4.31Å
110C92.3Very high87.6Confident2 Ų252.2 Ų52.21%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-110.7121.6-178.4-69.50000110.3F85 I108 I112 D138 I139 I140F85-C110 HydrophobicContact CE2-CB 4.38Å; I108-C110 VanDerWaalsContact CG2-SG 3.56Å; C110-I112 HydrophobicContact CB-CG1 4.5Å; C110-D138 PolarHBondContact N-O 3.05Å; C110-I139 HydrophobicContact CB-CG1 4.44Å; C110-I140 PolarHBondContact O-N 3.11Å
111F91.6Very high87.9Confident0 Ų052.2 Ų52.20%024%0.243CC..EExtended strand (participates in β ladder)trans-89123.4167.5-70.1-103.6000108.1I8 A9 D11 Q29 A32 V33 I36 L54 V109 I140 F142 L182I8-F111 HydrophobicContact CG2-CD2 3.93Å; I8-F111 HydrophobicContact CG2-CE2 3.65Å; A9-F111 PolarHBondContact O-N 2.87Å; D11-F111 WeakPolarHBondContact CB-O 3.3Å; Q29-F111 HydrophobicContact CG-CD1 3.99Å; Q29-F111 HydrophobicContact CG-CG 4.36Å; A32-F111 HydrophobicContact CB-CE1 3.86Å; A32-F111 HydrophobicContact CB-CZ 4.28Å; V33-F111 HydrophobicContact CG2-CD2 4.3Å; V33-F111 HydrophobicContact CG2-CE2 3.79Å; V33-F111 HydrophobicContact CG2-CZ 3.92Å; I36-F111 HydrophobicContact CD1-CE2 3.91Å; I36-F111 HydrophobicContact CD1-CZ 3.51Å; L54-F111 WeakPolarHBondContact CD1-O 3.38Å; V109-F111 HydrophobicContact CG1-CD2 4.42Å; V109-F111 HydrophobicContact CG1-CE2 3.95Å; F111-I140 HydrophobicContact CD1-CD1 4.23Å; F111-I140 HydrophobicContact CD2-CD1 4.34Å; F111-I140 HydrophobicContact CE1-CD1 3.77Å; F111-I140 HydrophobicContact CE2-CD1 3.93Å; F111-I140 HydrophobicContact CG-CD1 4.46Å; F111-I140 HydrophobicContact CZ-CD1 3.63Å; F111-F142 HydrophobicContact CB-CE2 4.21Å; F111-F142 HydrophobicContact CD1-CD2 4.18Å; F111-F142 AromaticContact CD1-CE2 3.18Å; F111-F142 HydrophobicContact CD1-CE2 3.18Å; F111-F142 AromaticContact CD1-CZ 3.65Å; F111-F142 HydrophobicContact CD1-CZ 3.65Å; F111-F142 AromaticContact CE1-CE2 3.77Å; F111-F142 HydrophobicContact CE1-CE2 3.77Å; F111-F142 AromaticContact CE1-CZ 3.73Å; F111-F142 HydrophobicContact CE1-CZ 3.73Å; F111-F142 HydrophobicContact CG-CE2 4.04Å; F111-L182 HydrophobicContact CE1-CD1 4.22Å; F111-L182 HydrophobicContact CZ-CD1 4.45Å
112I90.2Very high88.1Confident1 Ų152.6 Ų52.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-125124.6178.5-55.1-179.1000107.3I83 F85 C110 I116 I139 I140 N141 F142 L152I83-I112 HydrophobicContact CD1-CG2 4.36Å; F85-I112 HydrophobicContact CD2-CD1 4.04Å; F85-I112 HydrophobicContact CE2-CD1 3.59Å; F85-I112 HydrophobicContact CE2-CG1 4.4Å; F85-I112 HydrophobicContact CZ-CD1 4.17Å; C110-I112 HydrophobicContact CB-CG1 4.5Å; I112-I116 HydrophobicContact CD1-CD1 3.98Å; I112-I116 HydrophobicContact CG2-CD1 4.23Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I112-I139 HydrophobicContact CD1-CG2 3.53Å; I112-I139 HydrophobicContact CG1-CG2 4.18Å; I112-I140 PolarHBondContact N-O 2.79Å; I112-N141 CarbonylContact O-C 3.52Å; I112-N141 WeakPolarHBondContact O-CA 3.38Å; I112-N141 PolarHBondContact O-OD1 3.05Å; I112-F142 PolarHBondContact O-N 3.32Å; I112-L152 HydrophobicContact CD1-CD1 4.03Å; I112-L152 HydrophobicContact CD1-CD2 3.81Å
113G85.8Confident88.3Confident1 Ų142.5 Ų42.51%0.0121%0.205CC..  trans-141.427.3171.800000114.4D11 Y15 M16 R25 F142D11-G113 PolarHBondContact OD2-N 3.43Å; Y15-G113 WeakPolarHBondContact CB-O 3.5Å; M16-G113 WeakPolarHBondContact CE-O 3.5Å; R25-G113 PolarHBondContact NH1-O 3.3Å; G113-F142 WeakPolarHBondContact CA-O 3.33Å
114S84.9Confident88.4Confident2 Ų238.7 Ų38.71%0.01419%0.19CC..SBendtrans-136156.9172.6490000110.2D11 S13 Y15 I83 N148D11-S114 PolarHBondContact OD2-N 2.92Å; D11-S114 PolarHBondContact OD2-OG 3.17Å; S13-S114 WeakPolarHBondContact OG-CB 3.46Å; S13-S114 PolarHBondContact OG-OG 2.86Å; Y15-S114 VanDerWaalsContact CD2-CB 3.45Å; I83-S114 WeakPolarHBondContact CD1-OG 2.97Å; I83-S114 VanDerWaalsContact CG1-OG 3.26Å; I83-S114 WeakPolarHBondContact CG1-OG 3.33Å; I83-S114 WeakPolarHBondContact CG2-OG 3.33Å; S114-N148 PolarHBondContact O-ND2 3.29Å
115P85.2Confident88.5Confident26 Ų2646.6 Ų46.617%0.16922%0.22CC..  trans-67.5133.4-179.225.4-33.4000111.8Y15 L117 N148Y15-P115 HydrophobicContact CE1-CG 4.42Å; Y15-P115 HydrophobicContact CE2-CG 4.15Å; Y15-P115 VanDerWaalsContact CZ-CD 3.47Å; Y15-P115 WeakPolarHBondContact OH-CG 3.41Å; P115-L117 PolarHBondContact O-N 3.4Å; P115-N148 WeakPolarHBondContact CA-OD1 3.38Å
116I84.9Confident88.6Confident7 Ų742.9 Ų42.94%0.03620%0.204CC..  trans-84.9109.6-179.9-56.3167000109.5I83 F85 I112 E118 N148 K151 L152I83-I116 HydrophobicContact CD1-CB 4.48Å; I83-I116 HydrophobicContact CD1-CG1 3.77Å; F85-I116 HydrophobicContact CB-CG2 4.29Å; I112-I116 HydrophobicContact CD1-CD1 3.98Å; I112-I116 HydrophobicContact CG2-CD1 4.23Å; I112-I116 HydrophobicContact CG2-CG1 4.22Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 HydrophobicContact CG2-CB 4.04Å; I116-E118 HydrophobicContact CG2-CG 4.47Å; I116-E118 PolarHBondContact O-N 3.49Å; I116-N148 PolarHBondContact N-OD1 3.12Å; I116-K151 PolarHBondContact O-NZ 2.95Å; I116-L152 HydrophobicContact CD1-CD1 4.14Å; I116-L152 HydrophobicContact CD1-CD2 3.48Å; I116-L152 VanDerWaalsContact CD1-CD2 3.48Å; I116-L152 HydrophobicContact CD1-CG 3.87Å
117L83.2Confident88.5Confident134 Ų13441.9 Ų41.970%0.70220%0.199SC*.  trans-80.4-2178.8-65.6176000114.3P115P115-L117 PolarHBondContact O-N 3.4Å
118E83.1Confident88.5Confident39 Ų3948.1 Ų48.118%0.18223%0.226CC..SBendtrans-78.4155.9-176.3-64.2-143.8-139.600113.6F85 C86 I116 K151F85-E118 PolarHBondContact N-OE1 2.96Å; F85-E118 VanDerWaalsContact N-OE1 3.11Å; C86-E118 VanDerWaalsContact CB-CD 3.46Å; C86-E118 VanDerWaalsContact CB-OE1 3.27Å; C86-E118 WeakPolarHBondContact CB-OE1 3.24Å; C86-E118 WeakPolarHBondContact CB-OE2 3.28Å; C86-E118 PolarHBondContact N-OE1 2.86Å; C86-E118 PolarHBondContact SG-OE2 2.85Å; I116-E118 VanDerWaalsContact C-N 3.27Å; I116-E118 HydrophobicContact CG2-CB 4.04Å; I116-E118 HydrophobicContact CG2-CG 4.47Å; I116-E118 PolarHBondContact O-N 3.49Å; E118-K151 PolarHBondContact O-NZ 3.4Å; E118-K151 VanDerWaalsContact O-NZ 3.11Å
119D87.4Confident88.3Confident110 Ų11055.3 Ų55.359%0.58825%0.253SS*.  trans-75.5136.1179.6-69-26000111.7K121 E122 L123D119-K121 PolarHBondContact O-N 3.23Å; D119-K121 VanDerWaalsContact O-N 3.12Å; D119-E122 HydrophobicContact CB-CG 4.48Å; D119-E122 PolarHBondContact O-N 3.25Å; D119-L123 PolarHBondContact O-N 3.13Å
120E87.1Confident88.1Confident102 Ų10255.5 Ų55.548%0.47725%0.254SS..Hα-helixtrans-54.8-31.9174.8-166.8-159.9130.800112.9E122 L123 T124 E154E120-E122 PolarHBondContact O-N 2.95Å; E120-L123 WeakPolarHBondContact O-CB 3.03Å; E120-L123 PolarHBondContact O-N 3.47Å; E120-T124 WeakPolarHBondContact O-CB 3.28Å; E120-T124 PolarHBondContact O-N 2.85Å; E120-T124 PolarHBondContact O-OG1 2.97Å; E120-E154 WeakPolarHBondContact CG-OE2 3.42Å
121K88.7Confident87.9Confident162 Ų16259.9 Ų59.970%0.70427%0.273SS*.Hα-helixtrans-65.5-39177.4-67.4178.3-176167.20112.5D119 R125D119-K121 PolarHBondContact O-N 3.23Å; D119-K121 VanDerWaalsContact O-N 3.12Å; K121-R125 VanDerWaalsContact O-CG 3.31Å; K121-R125 WeakPolarHBondContact O-CG 3.34Å; K121-R125 PolarHBondContact O-N 3.09Å
122E89.8Confident87.7Confident70 Ų7068.7 Ų68.733%0.32731%0.311SS..Hα-helixtrans-69.3-43176-68.5-143.2-179.900110.4R90 D119 E120 T124 R125 L126R90-E122 IonicContact NH2-OE2 3.79Å; R90-E122 PolarHBondContact NH2-OE2 3.07Å; R90-E122 VanDerWaalsContact NH2-OE2 3.07Å; D119-E122 HydrophobicContact CB-CG 4.48Å; D119-E122 PolarHBondContact O-N 3.25Å; E120-E122 PolarHBondContact O-N 2.95Å; E122-T124 PolarHBondContact O-N 3.38Å; E122-R125 WeakPolarHBondContact O-CB 3.29Å; E122-R125 PolarHBondContact O-N 3.34Å; E122-R125 VanDerWaalsContact O-N 3.12Å; E122-L126 WeakPolarHBondContact O-CG 3.15Å; E122-L126 PolarHBondContact O-N 3.26Å
123L88.6Confident87.6Confident7 Ų772.2 Ų72.24%0.03733%0.328CS..Hα-helixtrans-58.4-46.5178.4-169.557.2000111.9F85 D119 E120 R125 L126 A127 K151 F155F85-L123 HydrophobicContact CD1-CD1 3.85Å; F85-L123 HydrophobicContact CE1-CD1 3.53Å; D119-L123 PolarHBondContact O-N 3.13Å; E120-L123 WeakPolarHBondContact O-CB 3.03Å; E120-L123 PolarHBondContact O-N 3.47Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 2.98Å; L123-L126 PolarHBondContact O-N 2.97Å; L123-L126 VanDerWaalsContact O-N 3.13Å; L123-A127 PolarHBondContact O-N 3.5Å; L123-K151 HydrophobicContact CD2-CB 4.28Å; L123-K151 VanDerWaalsContact CD2-O 3.27Å; L123-K151 WeakPolarHBondContact CD2-O 3.27Å; L123-F155 HydrophobicContact CD1-CB 3.94Å; L123-F155 HydrophobicContact CD1-CD1 4.31Å; L123-F155 HydrophobicContact CD1-CD2 3.17Å; L123-F155 HydrophobicContact CD1-CE2 3.6Å; L123-F155 HydrophobicContact CD1-CG 3.54Å; L123-F155 HydrophobicContact CD1-CZ 4.34Å; L123-F155 HydrophobicContact CD2-CB 3.78Å; L123-F155 HydrophobicContact CD2-CD2 4.43Å; L123-F155 HydrophobicContact CD2-CG 4.33Å; L123-F155 HydrophobicContact CG-CB 3.69Å; L123-F155 HydrophobicContact CG-CD2 3.44Å; L123-F155 VanDerWaalsContact CG-CD2 3.44Å; L123-F155 HydrophobicContact CG-CE2 4.28Å; L123-F155 HydrophobicContact CG-CG 3.8Å
124T89.8Confident87.6Confident36 Ų3680.6 Ų80.622%0.22136%0.364CS..Hα-helixtrans-63.1-37.3175.4-57.10000112.6E120 E122 L126 K128E120-T124 WeakPolarHBondContact O-CB 3.28Å; E120-T124 PolarHBondContact O-N 2.85Å; E120-T124 PolarHBondContact O-OG1 2.97Å; E122-T124 PolarHBondContact O-N 3.38Å; T124-L126 VanDerWaalsContact C-N 3.32Å; T124-K128 WeakPolarHBondContact O-CG 3.45Å; T124-K128 PolarHBondContact O-N 3.49Å
125R90.6Very high87.8Confident169 Ų16980.6 Ų80.664%0.63836%0.364SS*.Hα-helixtrans-66.4-36.1175.4-74.1171.7-179.91781.3111.3K121 E122 L123 R129K121-R125 VanDerWaalsContact O-CG 3.31Å; K121-R125 WeakPolarHBondContact O-CG 3.34Å; K121-R125 PolarHBondContact O-N 3.09Å; E122-R125 WeakPolarHBondContact O-CB 3.29Å; E122-R125 PolarHBondContact O-N 3.34Å; E122-R125 VanDerWaalsContact O-N 3.12Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 2.98Å; R125-R129 WeakPolarHBondContact O-CG 3.5Å; R125-R129 PolarHBondContact O-N 3.37Å
126L89.8Confident88Confident6 Ų680.8 Ų80.83%0.03136%0.364CS..Hα-helixtrans-70-43.5175.5-65.1-177.3000112.2C86 R90 E122 L123 T124 K128 R129 L130 F155C86-L126 VanDerWaalsContact CA-CD1 3.44Å; C86-L126 HydrophobicContact CB-CD1 3.48Å; C86-L126 VanDerWaalsContact CB-CD1 3.48Å; C86-L126 WeakPolarHBondContact SG-CD1 3.36Å; R90-L126 HydrophobicContact CG-CD2 3.83Å; E122-L126 WeakPolarHBondContact O-CG 3.15Å; E122-L126 PolarHBondContact O-N 3.26Å; L123-L126 PolarHBondContact O-N 2.97Å; L123-L126 VanDerWaalsContact O-N 3.13Å; T124-L126 VanDerWaalsContact C-N 3.32Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 2.98Å; L126-R129 WeakPolarHBondContact O-CA 3.12Å; L126-R129 WeakPolarHBondContact O-CB 3.17Å; L126-R129 PolarHBondContact O-N 2.84Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 3Å; L126-F155 HydrophobicContact CB-CE2 4.39Å
127A89.3Confident88.3Confident0 Ų080.5 Ų80.50%036%0.362CS..Hα-helixtrans-54.4-45.3175.800000111.6L123 R129 L130 K131 F155 T158L123-A127 PolarHBondContact O-N 3.5Å; A127-R129 VanDerWaalsContact C-N 3.3Å; A127-R129 PolarHBondContact O-N 3.27Å; A127-L130 PolarHBondContact O-N 2.82Å; A127-K131 PolarHBondContact O-N 2.8Å; A127-F155 HydrophobicContact CB-CD2 3.81Å; A127-F155 HydrophobicContact CB-CE2 3.82Å; A127-T158 WeakPolarHBondContact CB-OG1 3.42Å
128K89.7Confident88.6Confident137 Ų13774.1 Ų74.160%0.59633%0.329SS*.Hα-helixtrans-63.3-31.6176.2-70.9177.8-177177.10113.6T124 L126T124-K128 WeakPolarHBondContact O-CG 3.45Å; T124-K128 PolarHBondContact O-N 3.49Å; L126-K128 VanDerWaalsContact C-N 3.27Å; L126-K128 PolarHBondContact O-N 2.98Å
129R89.4Confident89Confident150 Ų15072.2 Ų72.257%0.56632%0.32SS*.Hα-helixtrans-73-47175.8-73.3178.7179.8-179.8-0.1110.8R125 L126 A127 K131 K132 E133R125-R129 WeakPolarHBondContact O-CG 3.5Å; R125-R129 PolarHBondContact O-N 3.37Å; L126-R129 WeakPolarHBondContact O-CA 3.12Å; L126-R129 WeakPolarHBondContact O-CB 3.17Å; L126-R129 PolarHBondContact O-N 2.84Å; A127-R129 VanDerWaalsContact C-N 3.3Å; A127-R129 PolarHBondContact O-N 3.27Å; R129-K131 VanDerWaalsContact C-N 3.28Å; R129-K131 PolarHBondContact O-N 3.43Å; R129-K132 WeakPolarHBondContact O-CB 3.25Å; R129-K132 PolarHBondContact O-N 2.9Å; R129-E133 PolarHBondContact O-N 2.65Å
130L89.5Confident89.1Confident5 Ų567 Ų673%0.02629%0.292CS..Hα-helixtrans-59.7-38.4178.9-66.6167.6000112.3I89 L126 A127 K132 E133 K134 V135 V137 F155 L159I89-L130 HydrophobicContact CG2-CD1 3.97Å; I89-L130 HydrophobicContact CG2-CD2 3.95Å; I89-L130 HydrophobicContact CG2-CG 4.42Å; L126-L130 WeakPolarHBondContact O-CG 3.31Å; L126-L130 PolarHBondContact O-N 3Å; A127-L130 PolarHBondContact O-N 2.82Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.86Å; L130-E133 CarbonylContact O-C 3.5Å; L130-E133 PolarHBondContact O-N 3.33Å; L130-E133 VanDerWaalsContact O-N 3.15Å; L130-K134 PolarHBondContact O-N 2.86Å; L130-V135 HydrophobicContact CD2-CB 3.98Å; L130-V135 HydrophobicContact CD2-CG1 4.15Å; L130-V135 HydrophobicContact CD2-CG2 4.28Å; L130-V135 PolarHBondContact O-N 3.08Å; L130-V137 HydrophobicContact CD1-CG2 4.05Å; L130-F155 HydrophobicContact CD1-CE2 4.19Å; L130-F155 HydrophobicContact CD1-CZ 3.62Å; L130-L159 HydrophobicContact CB-CD1 4.38Å; L130-L159 HydrophobicContact CD1-CD1 3.95Å
131K86.8Confident89.2Confident93 Ų9362.1 Ų62.140%0.40427%0.269SS..Hα-helixtrans-61.4-36.4175.8-172.6168.3-174.81660113.3A127 R129 E133 K134A127-K131 PolarHBondContact O-N 2.8Å; R129-K131 VanDerWaalsContact C-N 3.28Å; R129-K131 PolarHBondContact O-N 3.43Å; K131-E133 VanDerWaalsContact C-N 3.31Å; K131-K134 PolarHBondContact O-N 3.48Å
132K88.2Confident89Confident185 Ų18554.8 Ų54.880%0.80424%0.237SC*.Hα-helixtrans-69.7-33176.5-69-180-179.2-174.30112R129 L130 K134R129-K132 WeakPolarHBondContact O-CB 3.25Å; R129-K132 PolarHBondContact O-N 2.9Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 2.86Å; K132-K134 VanDerWaalsContact C-N 3.34Å
133E87Confident88.4Confident76 Ų7652.3 Ų52.336%0.35523%0.23SC..Hα-helixtrans-86.2-9.4-178.3-70.8163.5169.100112.3H93 M106 R129 L130 K131 V135H93-E133 IonicContact CD2-OE2 3.17Å; H93-E133 PolarHBondContact CD2-OE2 3.42Å; H93-E133 IonicContact CE1-OE1 3.8Å; H93-E133 PolarHBondContact CE1-OE1 3.22Å; H93-E133 IonicContact CE1-OE2 2.96Å; H93-E133 PolarHBondContact CE1-OE2 2.81Å; H93-E133 IonicContact CG-OE2 3.26Å; H93-E133 VanDerWaalsContact CG-OE2 3.26Å; H93-E133 IonicContact ND1-OE1 3.56Å; H93-E133 IonicContact ND1-OE2 3.16Å; H93-E133 PolarHBondContact ND1-OE2 3.22Å; H93-E133 VanDerWaalsContact ND1-OE2 3.16Å; H93-E133 IonicContact NE2-OE1 3.38Å; H93-E133 PolarHBondContact NE2-OE1 3.32Å; H93-E133 IonicContact NE2-OE2 3.07Å; H93-E133 PolarHBondContact NE2-OE2 3.45Å; M106-E133 HydrophobicContact CE-CB 4.38Å; M106-E133 WeakPolarHBondContact CE-O 3.41Å; R129-E133 PolarHBondContact O-N 2.65Å; L130-E133 CarbonylContact O-C 3.5Å; L130-E133 PolarHBondContact O-N 3.33Å; L130-E133 VanDerWaalsContact O-N 3.15Å; K131-E133 VanDerWaalsContact C-N 3.31Å; E133-V135 HydrophobicContact CB-CG2 3.94Å
134K86.1Confident87.6Confident176 Ų17654.9 Ų54.977%0.76524%0.242SC*.THydrogen-bonded Turntrans57.151.5-175.7-57.5-177.2177.4-174.30111.6L130 K131 K132L130-K134 PolarHBondContact O-N 2.86Å; K131-K134 PolarHBondContact O-N 3.48Å; K132-K134 VanDerWaalsContact C-N 3.34Å
135V89.2Confident86.7Confident2 Ų254.5 Ų54.51%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-98.5123.6174.7-178.20000109.2L96 M106 I108 L130 E133 V137L96-V135 HydrophobicContact CD1-CG1 4.17Å; M106-V135 HydrophobicContact CB-CB 4.42Å; M106-V135 HydrophobicContact CB-CG1 4.34Å; M106-V135 HydrophobicContact CB-CG2 4.06Å; M106-V135 HydrophobicContact CE-CG2 3.65Å; M106-V135 HydrophobicContact SD-CG2 4.07Å; I108-V135 HydrophobicContact CD1-CG1 3.6Å; I108-V135 HydrophobicContact CG1-CG1 3.78Å; L130-V135 HydrophobicContact CD2-CB 3.98Å; L130-V135 HydrophobicContact CD2-CG1 4.15Å; L130-V135 HydrophobicContact CD2-CG2 4.28Å; L130-V135 PolarHBondContact O-N 3.08Å; E133-V135 HydrophobicContact CB-CG2 3.94Å; V135-V137 HydrophobicContact CG1-CG2 4.2Å
136N89.9Confident85.8Confident31 Ų3154.7 Ų54.717%0.16625%0.247CC..EExtended strand (participates in β ladder)trans-83.8133.9172.8-72.28000109.1M106 R107 I108 G166 E191M106-N136 PolarHBondContact O-N 3.35Å; R107-N136 CarbonylContact C-O 3.56Å; R107-N136 VanDerWaalsContact CA-O 3.32Å; R107-N136 WeakPolarHBondContact CA-O 3.21Å; R107-N136 HydrophobicContact CG-CB 4.4Å; I108-N136 PolarHBondContact N-O 2.99Å; N136-G166 WeakPolarHBondContact CB-O 3.43Å; N136-E191 PolarHBondContact ND2-OE2 2.92Å
137V90.3Very high85.1Confident0 Ų058.2 Ų58.20%027%0.269CS..EExtended strand (participates in β ladder)trans-127.5114.5-179-174.30000110I108 L130 V135 I139 F155 L159 S167I108-V137 HydrophobicContact CB-CG1 4.42Å; I108-V137 HydrophobicContact CB-CG2 4.26Å; I108-V137 HydrophobicContact CD1-CG2 4.41Å; I108-V137 CarbonylContact O-C 3.56Å; I108-V137 WeakPolarHBondContact O-CA 3.45Å; L130-V137 HydrophobicContact CD1-CG2 4.05Å; V135-V137 HydrophobicContact CG1-CG2 4.2Å; V137-I139 HydrophobicContact CG1-CD1 4.49Å; V137-I139 HydrophobicContact CG1-CG1 4.08Å; V137-F155 HydrophobicContact CG1-CE1 4.35Å; V137-L159 HydrophobicContact CB-CD1 3.87Å; V137-L159 HydrophobicContact CG2-CD1 3.71Å; V137-S167 PolarHBondContact N-OG 3.14Å; V137-S167 WeakPolarHBondContact O-CA 3.39Å; V137-S167 WeakPolarHBondContact O-CB 3.5Å; V137-S167 PolarHBondContact O-OG 3.13Å; V137-S167 VanDerWaalsContact O-OG 3.05Å
138D91.2Very high84.7Confident0 Ų058.2 Ų58.20%027%0.269CS..EExtended strand (participates in β ladder)trans-98.6126171.6-57.1-51.7000108.5R107 I108 V109 C110 H168 V187R107-D138 WeakPolarHBondContact CD-OD2 3.35Å; R107-D138 IonicContact CZ-OD2 3.58Å; R107-D138 IonicContact NH1-OD1 3.6Å; R107-D138 PolarHBondContact NH1-OD1 3.22Å; R107-D138 IonicContact NH1-OD2 2.77Å; R107-D138 PolarHBondContact NH1-OD2 3.09Å; I108-D138 PolarHBondContact O-N 3.41Å; V109-D138 CarbonylContact C-O 3.31Å; V109-D138 WeakPolarHBondContact CA-O 3.44Å; V109-D138 HydrophobicContact CG2-CB 4.42Å; C110-D138 PolarHBondContact N-O 3.05Å; D138-H168 IonicContact OD1-CG 3.37Å; D138-H168 PolarHBondContact OD1-N 3.44Å; D138-H168 IonicContact OD1-ND1 2.72Å; D138-H168 PolarHBondContact OD1-ND1 2.85Å; D138-V187 HydrophobicContact CB-CG2 3.84Å
139I91Very high84.3Confident0 Ų055.8 Ų55.80%026%0.26CS..EExtended strand (participates in β ladder)trans-110.9124.2179.6-64.6160.7000108.1F85 C110 I112 V137 L152 F155 I156 H168 L169 I170F85-I139 HydrophobicContact CZ-CD1 4.31Å; C110-I139 HydrophobicContact CB-CG1 4.44Å; I112-I139 HydrophobicContact CD1-CG2 3.53Å; I112-I139 HydrophobicContact CG1-CG2 4.18Å; V137-I139 HydrophobicContact CG1-CD1 4.49Å; V137-I139 HydrophobicContact CG1-CG1 4.08Å; I139-L152 HydrophobicContact CD1-CD2 3.96Å; I139-L152 HydrophobicContact CG2-CD1 3.91Å; I139-L152 HydrophobicContact CG2-CD2 4.18Å; I139-F155 HydrophobicContact CD1-CD1 3.6Å; I139-F155 HydrophobicContact CD1-CE1 3.88Å; I139-I156 HydrophobicContact CB-CD1 4.21Å; I139-I156 HydrophobicContact CD1-CD1 3.7Å; I139-I156 HydrophobicContact CD1-CG1 3.85Å; I139-I156 HydrophobicContact CG1-CD1 4.35Å; I139-H168 PolarHBondContact N-O 3.41Å; I139-L169 HydrophobicContact CB-CD1 4.09Å; I139-L169 HydrophobicContact CG2-CD1 3.98Å; I139-I170 PolarHBondContact O-N 3.18Å
140I89.7Confident84.1Confident0 Ų055.6 Ų55.60%027%0.265CS..EExtended strand (participates in β ladder)trans-110.6110.7174.9-43.9150.6000107.5I36 V109 C110 F111 I112 F142 I170 V172 L182I36-I140 HydrophobicContact CD1-CD1 4.13Å; V109-I140 HydrophobicContact CG1-CD1 3.59Å; V109-I140 HydrophobicContact CG1-CG1 4.41Å; C110-I140 PolarHBondContact O-N 3.11Å; F111-I140 HydrophobicContact CD1-CD1 4.23Å; F111-I140 HydrophobicContact CD2-CD1 4.34Å; F111-I140 HydrophobicContact CE1-CD1 3.77Å; F111-I140 HydrophobicContact CE2-CD1 3.93Å; F111-I140 HydrophobicContact CG-CD1 4.46Å; F111-I140 HydrophobicContact CZ-CD1 3.63Å; I112-I140 PolarHBondContact N-O 2.79Å; I140-F142 HydrophobicContact CB-CD2 4.35Å; I140-F142 HydrophobicContact CB-CE2 3.47Å; I140-F142 VanDerWaalsContact CB-CE2 3.47Å; I140-F142 HydrophobicContact CB-CZ 3.74Å; I140-F142 HydrophobicContact CG2-CD1 4.3Å; I140-F142 HydrophobicContact CG2-CD2 4.05Å; I140-F142 HydrophobicContact CG2-CE1 3.55Å; I140-F142 HydrophobicContact CG2-CE2 3.21Å; I140-F142 HydrophobicContact CG2-CZ 3Å; I140-F142 WeakPolarHBondContact O-CD2 3.49Å; I140-F142 WeakPolarHBondContact O-CE2 3.41Å; I140-I170 CarbonylContact C-O 3.57Å; I140-I170 WeakPolarHBondContact CA-O 3.49Å; I140-I170 HydrophobicContact CG1-CB 4.49Å; I140-I170 HydrophobicContact CG1-CD1 4.21Å; I140-I170 HydrophobicContact CG2-CB 4.09Å; I140-I170 HydrophobicContact CG2-CG2 3.98Å; I140-V172 HydrophobicContact CG2-CG2 3.95Å; I140-L182 HydrophobicContact CD1-CD2 3.57Å; I140-L182 HydrophobicContact CG1-CD2 3.96Å; I140-L182 HydrophobicContact CG2-CD2 4.04Å
141N88.6Confident84Confident0 Ų058.2 Ų58.20%028%0.276CS..EExtended strand (participates in β ladder)trans-94.2130.4179.7-165.522000109.7I112 E144 L152 I170 V172I112-N141 CarbonylContact O-C 3.52Å; I112-N141 WeakPolarHBondContact O-CA 3.38Å; I112-N141 PolarHBondContact O-OD1 3.05Å; N141-E144 PolarHBondContact ND2-O 3.29Å; N141-L152 HydrophobicContact CB-CD1 4.38Å; N141-I170 PolarHBondContact N-O 3.07Å; N141-V172 PolarHBondContact O-N 2.7Å
142F84.7Confident84Confident7 Ų753.8 Ų53.83%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-131137.1-175.7-59.1-79000111.5F21 F111 I112 G113 I140 E144 V172 L178F21-F142 HydrophobicContact CE2-CB 4.16Å; F111-F142 HydrophobicContact CB-CE2 4.21Å; F111-F142 HydrophobicContact CD1-CD2 4.18Å; F111-F142 AromaticContact CD1-CE2 3.18Å; F111-F142 HydrophobicContact CD1-CE2 3.18Å; F111-F142 AromaticContact CD1-CZ 3.65Å; F111-F142 HydrophobicContact CD1-CZ 3.65Å; F111-F142 AromaticContact CE1-CE2 3.77Å; F111-F142 HydrophobicContact CE1-CE2 3.77Å; F111-F142 AromaticContact CE1-CZ 3.73Å; F111-F142 HydrophobicContact CE1-CZ 3.73Å; F111-F142 HydrophobicContact CG-CE2 4.04Å; I112-F142 PolarHBondContact O-N 3.32Å; G113-F142 WeakPolarHBondContact CA-O 3.33Å; I140-F142 HydrophobicContact CB-CD2 4.35Å; I140-F142 HydrophobicContact CB-CE2 3.47Å; I140-F142 VanDerWaalsContact CB-CE2 3.47Å; I140-F142 HydrophobicContact CB-CZ 3.74Å; I140-F142 HydrophobicContact CG2-CD1 4.3Å; I140-F142 HydrophobicContact CG2-CD2 4.05Å; I140-F142 HydrophobicContact CG2-CE1 3.55Å; I140-F142 HydrophobicContact CG2-CE2 3.21Å; I140-F142 HydrophobicContact CG2-CZ 3Å; I140-F142 WeakPolarHBondContact O-CD2 3.49Å; I140-F142 WeakPolarHBondContact O-CE2 3.41Å; F142-E144 PolarHBondContact O-N 3.43Å; F142-V172 HydrophobicContact CD1-CB 3.59Å; F142-V172 HydrophobicContact CD1-CG1 4.11Å; F142-V172 HydrophobicContact CD1-CG2 3.54Å; F142-V172 HydrophobicContact CE1-CB 3.94Å; F142-V172 HydrophobicContact CE1-CG1 4.35Å; F142-V172 HydrophobicContact CE1-CG2 3.38Å; F142-V172 HydrophobicContact CZ-CG2 4.33Å; F142-L178 HydrophobicContact CD1-CD1 3.77Å; F142-L178 HydrophobicContact CD1-CD2 3.14Å; F142-L178 HydrophobicContact CD1-CG 3.96Å; F142-L178 HydrophobicContact CE1-CB 3.85Å; F142-L178 HydrophobicContact CE1-CD1 3.67Å; F142-L178 HydrophobicContact CE1-CD2 3.33Å; F142-L178 HydrophobicContact CE1-CG 3.79Å; F142-L178 HydrophobicContact CG-CD1 4.3Å; F142-L178 HydrophobicContact CG-CD2 4.21Å; F142-L178 HydrophobicContact CZ-CD1 4.14Å; F142-L178 HydrophobicContact CZ-CD2 4.49Å
143G76.1Confident84Confident18 Ų1847.1 Ų47.119%0.18623%0.234CC..SBendtrans81.5-71.9171.700000113.2
144E72.1Confident84Confident62 Ų6247.2 Ų47.229%0.2923%0.234SC..  trans-101.489.8-177.9-164.3-179.9161.300110.9N141 F142 T147 N148N141-E144 PolarHBondContact ND2-O 3.29Å; F142-E144 PolarHBondContact O-N 3.43Å; E144-T147 PolarHBondContact OE1-OG1 3.27Å; E144-N148 PolarHBondContact O-ND2 2.81Å
145N71.1Confident84.1Confident27 Ų2738.9 Ų38.914%0.14420%0.198CC..  trans-82.5-43.1-176.7-61.6-16.2000111.9T147 N148 E149 S171 V172N145-T147 PolarHBondContact O-N 2.83Å; N145-N148 PolarHBondContact O-N 3.07Å; N145-E149 WeakPolarHBondContact O-CB 3.4Å; N145-E149 PolarHBondContact O-N 2.9Å; N145-S171 VanDerWaalsContact CG-OG 3.22Å; N145-S171 PolarHBondContact ND2-OG 2.96Å; N145-V172 PolarHBondContact ND2-O 3.36Å
146E71.9Confident84Confident173 Ų17339.2 Ų39.281%0.80820%0.2SC*.Hα-helixtrans-61.7-48-165.4-167.2174.3-177.800114.3
147T76.2Confident83.9Confident80 Ų8042.5 Ų42.549%0.49122%0.217SC..Hα-helixtrans-74.9-31.3-178.3-45.20000112.7E144 N145E144-T147 PolarHBondContact OE1-OG1 3.27Å; N145-T147 PolarHBondContact O-N 2.83Å
148N79.7Confident83.7Confident1 Ų145.1 Ų45.11%0.00523%0.233CC..Hα-helixtrans-90.4-32.7-170-79.1-21.5000113.2S114 P115 I116 E144 N145 Q150 K151 L152S114-N148 PolarHBondContact O-ND2 3.29Å; P115-N148 WeakPolarHBondContact CA-OD1 3.38Å; I116-N148 PolarHBondContact N-OD1 3.12Å; E144-N148 PolarHBondContact O-ND2 2.81Å; N145-N148 PolarHBondContact O-N 3.07Å; N148-Q150 VanDerWaalsContact C-N 3.29Å; N148-Q150 PolarHBondContact O-N 3.05Å; N148-K151 PolarHBondContact O-N 3.07Å; N148-L152 HydrophobicContact CB-CD1 4.12Å; N148-L152 WeakPolarHBondContact O-CB 3.49Å; N148-L152 VanDerWaalsContact O-CG 3.31Å; N148-L152 WeakPolarHBondContact O-CG 3.45Å; N148-L152 PolarHBondContact O-N 2.92Å
149E82.2Confident83.5Confident86 Ų8645.7 Ų45.740%0.40224%0.236SC..Hα-helixtrans-60.8-36.8-171-174.1166.717200112.4N145 L152 S153 L169N145-E149 WeakPolarHBondContact O-CB 3.4Å; N145-E149 PolarHBondContact O-N 2.9Å; E149-L152 PolarHBondContact O-N 2.87Å; E149-S153 WeakPolarHBondContact O-CB 3.24Å; E149-S153 PolarHBondContact O-N 3.44Å; E149-L169 HydrophobicContact CG-CD2 4.21Å
150Q85.5Confident83Confident146 Ų14647.1 Ų47.168%0.68224%0.244SC*.Hα-helixtrans-60.4-53.3177.6-65.5179.3-1.100112N148 L152 S153 E154N148-Q150 VanDerWaalsContact C-N 3.29Å; N148-Q150 PolarHBondContact O-N 3.05Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 3.24Å; Q150-S153 PolarHBondContact O-N 3.03Å; Q150-E154 WeakPolarHBondContact O-CG 3.36Å; Q150-E154 PolarHBondContact O-N 3.5Å; Q150-E154 VanDerWaalsContact O-N 3.17Å
151K86.1Confident82.4Confident59 Ų5949.4 Ų49.426%0.25727%0.267SS..Hα-helixtrans-63.4-38.6179.8-63-175-178.9-173.50112.1I116 E118 L123 N148 F155I116-K151 PolarHBondContact O-NZ 2.95Å; E118-K151 PolarHBondContact O-NZ 3.4Å; E118-K151 VanDerWaalsContact O-NZ 3.11Å; L123-K151 HydrophobicContact CD2-CB 4.28Å; L123-K151 VanDerWaalsContact CD2-O 3.27Å; L123-K151 WeakPolarHBondContact CD2-O 3.27Å; N148-K151 PolarHBondContact O-N 3.07Å; K151-F155 PolarHBondContact O-N 3.4Å
152L87Confident81.5Confident0 Ų058.6 Ų58.60%031%0.308CS..Hα-helixtrans-74.2-35.5-178.8-67.8175.5000112.2F85 I112 I116 I139 N141 N148 E149 Q150 F155 I156 L169F85-L152 HydrophobicContact CZ-CD2 4.41Å; I112-L152 HydrophobicContact CD1-CD1 4.03Å; I112-L152 HydrophobicContact CD1-CD2 3.81Å; I116-L152 HydrophobicContact CD1-CD1 4.14Å; I116-L152 HydrophobicContact CD1-CD2 3.48Å; I116-L152 VanDerWaalsContact CD1-CD2 3.48Å; I116-L152 HydrophobicContact CD1-CG 3.87Å; I139-L152 HydrophobicContact CD1-CD2 3.96Å; I139-L152 HydrophobicContact CG2-CD1 3.91Å; I139-L152 HydrophobicContact CG2-CD2 4.18Å; N141-L152 HydrophobicContact CB-CD1 4.38Å; N148-L152 HydrophobicContact CB-CD1 4.12Å; N148-L152 WeakPolarHBondContact O-CB 3.49Å; N148-L152 VanDerWaalsContact O-CG 3.31Å; N148-L152 WeakPolarHBondContact O-CG 3.45Å; N148-L152 PolarHBondContact O-N 2.92Å; E149-L152 PolarHBondContact O-N 2.87Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 3.24Å; L152-F155 WeakPolarHBondContact O-CB 3.29Å; L152-F155 PolarHBondContact O-N 3.35Å; L152-I156 WeakPolarHBondContact O-CG1 3.25Å; L152-I156 PolarHBondContact O-N 3.12Å; L152-L169 HydrophobicContact CB-CD1 4.05Å; L152-L169 HydrophobicContact CB-CD2 4.46Å; L152-L169 HydrophobicContact CD1-CD1 4.39Å
153S87.5Confident80.6Confident45 Ų4563.7 Ų63.732%0.31534%0.335SS..Hα-helixtrans-61.5-50.6174-169.80000110.3E149 Q150 F155 I156 D157E149-S153 WeakPolarHBondContact O-CB 3.24Å; E149-S153 PolarHBondContact O-N 3.44Å; Q150-S153 PolarHBondContact O-N 3.03Å; S153-F155 VanDerWaalsContact C-N 3.27Å; S153-F155 PolarHBondContact O-N 3.24Å; S153-I156 PolarHBondContact O-N 2.89Å; S153-I156 VanDerWaalsContact O-N 3.08Å; S153-D157 WeakPolarHBondContact O-CB 3.48Å; S153-D157 PolarHBondContact O-N 3.07Å; S153-D157 PolarHBondContact OG-OD2 3.45Å
154E87.3Confident80Confident78 Ų7866 Ų6636%0.36436%0.359SS..Hα-helixtrans-59.4-38.4177.9-69.8172.9175.700112.3E120 Q150 T158E120-E154 WeakPolarHBondContact CG-OE2 3.42Å; Q150-E154 WeakPolarHBondContact O-CG 3.36Å; Q150-E154 PolarHBondContact O-N 3.5Å; Q150-E154 VanDerWaalsContact O-N 3.17Å; E154-T158 WeakPolarHBondContact O-CB 3.37Å; E154-T158 VanDerWaalsContact O-CG2 3.26Å; E154-T158 WeakPolarHBondContact O-CG2 3.4Å; E154-T158 PolarHBondContact O-N 3.13Å; E154-T158 PolarHBondContact O-OG1 2.94Å
155F88.6Confident79.8Confident1 Ų167 Ų670%0.00437%0.369CS..Hα-helixtrans-63-43.6174.6179.6-110.5000112.7F85 I89 L123 L126 A127 L130 V137 I139 K151 L152 S153 T158 L159F85-F155 HydrophobicContact CE1-CE1 4.47Å; F85-F155 HydrophobicContact CZ-CE1 4.43Å; I89-F155 HydrophobicContact CD1-CZ 4.03Å; L123-F155 HydrophobicContact CD1-CB 3.94Å; L123-F155 HydrophobicContact CD1-CD1 4.31Å; L123-F155 HydrophobicContact CD1-CD2 3.17Å; L123-F155 HydrophobicContact CD1-CE2 3.6Å; L123-F155 HydrophobicContact CD1-CG 3.54Å; L123-F155 HydrophobicContact CD1-CZ 4.34Å; L123-F155 HydrophobicContact CD2-CB 3.78Å; L123-F155 HydrophobicContact CD2-CD2 4.43Å; L123-F155 HydrophobicContact CD2-CG 4.33Å; L123-F155 HydrophobicContact CG-CB 3.69Å; L123-F155 HydrophobicContact CG-CD2 3.44Å; L123-F155 VanDerWaalsContact CG-CD2 3.44Å; L123-F155 HydrophobicContact CG-CE2 4.28Å; L123-F155 HydrophobicContact CG-CG 3.8Å; L126-F155 HydrophobicContact CB-CE2 4.39Å; A127-F155 HydrophobicContact CB-CD2 3.81Å; A127-F155 HydrophobicContact CB-CE2 3.82Å; L130-F155 HydrophobicContact CD1-CE2 4.19Å; L130-F155 HydrophobicContact CD1-CZ 3.62Å; V137-F155 HydrophobicContact CG1-CE1 4.35Å; I139-F155 HydrophobicContact CD1-CD1 3.6Å; I139-F155 HydrophobicContact CD1-CE1 3.88Å; K151-F155 PolarHBondContact O-N 3.4Å; L152-F155 WeakPolarHBondContact O-CB 3.29Å; L152-F155 PolarHBondContact O-N 3.35Å; S153-F155 VanDerWaalsContact C-N 3.27Å; S153-F155 PolarHBondContact O-N 3.24Å; F155-T158 PolarHBondContact O-OG1 2.81Å; F155-L159 HydrophobicContact CE1-CD1 4.14Å; F155-L159 HydrophobicContact CZ-CD1 4.19Å; F155-L159 WeakPolarHBondContact O-CB 3.33Å; F155-L159 PolarHBondContact O-N 3.44Å
156I87.7Confident79.9Confident9 Ų966 Ų665%0.04637%0.366CS..Hα-helixtrans-73-38.7-178.9-71.5168.1000110.8I139 L152 S153 T158 L159 N160 L169I139-I156 HydrophobicContact CB-CD1 4.21Å; I139-I156 HydrophobicContact CD1-CD1 3.7Å; I139-I156 HydrophobicContact CD1-CG1 3.85Å; I139-I156 HydrophobicContact CG1-CD1 4.35Å; L152-I156 WeakPolarHBondContact O-CG1 3.25Å; L152-I156 PolarHBondContact O-N 3.12Å; S153-I156 PolarHBondContact O-N 2.89Å; S153-I156 VanDerWaalsContact O-N 3.08Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 2.9Å; I156-L159 PolarHBondContact O-N 3.02Å; I156-L159 VanDerWaalsContact O-N 3.13Å; I156-N160 VanDerWaalsContact CG2-ND2 3.29Å; I156-N160 WeakPolarHBondContact CG2-ND2 3.47Å; I156-N160 WeakPolarHBondContact O-CB 3.14Å; I156-N160 PolarHBondContact O-N 3.29Å; I156-L169 HydrophobicContact CD1-CB 3.41Å; I156-L169 VanDerWaalsContact CD1-CB 3.41Å; I156-L169 HydrophobicContact CD1-CD1 3.76Å; I156-L169 HydrophobicContact CD1-CD2 4.38Å; I156-L169 HydrophobicContact CD1-CG 4.01Å
157D87.6Confident80.4Confident101 Ų10158 Ų5854%0.5433%0.329SS..Hα-helixtrans-61.3-43.1175.4-68.6-28000111.2S153 L159 G161S153-D157 WeakPolarHBondContact O-CB 3.48Å; S153-D157 PolarHBondContact O-N 3.07Å; S153-D157 PolarHBondContact OG-OD2 3.45Å; D157-L159 VanDerWaalsContact C-N 3.31Å; D157-L159 PolarHBondContact O-N 2.89Å; D157-G161 PolarHBondContact O-N 3.35Å
158T86Confident80.9Confident54 Ų5456.5 Ų56.533%0.33132%0.316SS..Hα-helixtrans-68.9-28.8175.756.50000113.3A127 E154 F155 I156A127-T158 WeakPolarHBondContact CB-OG1 3.42Å; E154-T158 WeakPolarHBondContact O-CB 3.37Å; E154-T158 VanDerWaalsContact O-CG2 3.26Å; E154-T158 WeakPolarHBondContact O-CG2 3.4Å; E154-T158 PolarHBondContact O-N 3.13Å; E154-T158 PolarHBondContact O-OG1 2.94Å; F155-T158 PolarHBondContact O-OG1 2.81Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 2.9Å
159L86Confident81.3Confident13 Ų1358.8 Ų58.87%0.06833%0.328CS..Hα-helixtrans-77.6-49.6177.9-162.4161.6000111.5L130 V137 F155 I156 D157 G161 S167L130-L159 HydrophobicContact CB-CD1 4.38Å; L130-L159 HydrophobicContact CD1-CD1 3.95Å; V137-L159 HydrophobicContact CB-CD1 3.87Å; V137-L159 HydrophobicContact CG2-CD1 3.71Å; F155-L159 HydrophobicContact CE1-CD1 4.14Å; F155-L159 HydrophobicContact CZ-CD1 4.19Å; F155-L159 WeakPolarHBondContact O-CB 3.33Å; F155-L159 PolarHBondContact O-N 3.44Å; I156-L159 PolarHBondContact O-N 3.02Å; I156-L159 VanDerWaalsContact O-N 3.13Å; D157-L159 VanDerWaalsContact C-N 3.31Å; D157-L159 PolarHBondContact O-N 2.89Å; L159-G161 PolarHBondContact O-N 3.08Å; L159-S167 WeakPolarHBondContact CD2-OG 3.45Å
160N81.3Confident81.5Confident29 Ų2955.4 Ų55.416%0.15531%0.312CS..Hα-helixtrans-63.9-39.1179.1-75.9-22.7000111.7I156 K162 D163 S167I156-N160 VanDerWaalsContact CG2-ND2 3.29Å; I156-N160 WeakPolarHBondContact CG2-ND2 3.47Å; I156-N160 WeakPolarHBondContact O-CB 3.14Å; I156-N160 PolarHBondContact O-N 3.29Å; N160-K162 PolarHBondContact O-N 3.24Å; N160-D163 CarbonylContact O-C 3.58Å; N160-D163 PolarHBondContact O-N 3Å; N160-D163 VanDerWaalsContact O-O 3.07Å; N160-S167 PolarHBondContact ND2-O 2.88Å; N160-S167 VanDerWaalsContact OD1-CB 3.28Å; N160-S167 WeakPolarHBondContact OD1-CB 3.4Å; N160-S167 PolarHBondContact OD1-N 3.41Å; N160-S167 PolarHBondContact OD1-O 2.79Å
161G78Confident81.5Confident48 Ų4850.6 Ų50.650%0.49530%0.295SS..THydrogen-bonded Turntrans47.9-115.8176.200000113.3D157 L159D157-G161 PolarHBondContact O-N 3.35Å; L159-G161 PolarHBondContact O-N 3.08Å
162K69.6Low81.4Confident194 Ų19447.8 Ų47.884%0.84328%0.283SS*.THydrogen-bonded Turntrans-92.4-18.3-179.7-165.4172.8-178.9-177.90112.8N160 G164N160-K162 PolarHBondContact O-N 3.24Å; K162-G164 PolarHBondContact O-N 3.49Å
163D65.1Low81.1Confident114 Ų11450.3 Ų50.361%0.6130%0.303SS*.  trans-102.180.9-174.2-55.3-50.8000106.7N160 T165N160-D163 CarbonylContact O-C 3.58Å; N160-D163 PolarHBondContact O-N 3Å; N160-D163 VanDerWaalsContact O-O 3.07Å; D163-T165 PolarHBondContact O-N 3.05Å
164G62.9Low80.6Confident66 Ų6652.2 Ų52.268%0.6832%0.315SS*.THydrogen-bonded Turntrans-69.628.4-168.800000116.5K162K162-G164 PolarHBondContact O-N 3.49Å
165T68.7Low79.9Confident82 Ų8251.4 Ų51.450%0.50333%0.328SS..THydrogen-bonded Turntrans-126.2-6.5-177.470.70000114.4D163 E191D163-T165 PolarHBondContact O-N 3.05Å; T165-E191 WeakPolarHBondContact CB-OE1 3.01Å; T165-E191 VanDerWaalsContact O-CG 3.24Å; T165-E191 WeakPolarHBondContact O-CG 2.88Å; T165-E191 PolarHBondContact OG1-OE1 3.48Å
166G73.3Confident79.5Confident8 Ų854.3 Ų54.38%0.08235%0.345CS..SBendtrans-78.2-33.4-166.800000116.2N136N136-G166 WeakPolarHBondContact CB-O 3.43Å
167S82.7Confident79.2Confident4 Ų457.6 Ų57.63%0.02837%0.366CS..  trans-144.6135.8-165.2-66.50000112.3V137 L159 N160V137-S167 PolarHBondContact N-OG 3.14Å; V137-S167 WeakPolarHBondContact O-CA 3.39Å; V137-S167 WeakPolarHBondContact O-CB 3.5Å; V137-S167 PolarHBondContact O-OG 3.13Å; V137-S167 VanDerWaalsContact O-OG 3.05Å; L159-S167 WeakPolarHBondContact CD2-OG 3.45Å; N160-S167 PolarHBondContact ND2-O 2.88Å; N160-S167 VanDerWaalsContact OD1-CB 3.28Å; N160-S167 WeakPolarHBondContact OD1-CB 3.4Å; N160-S167 PolarHBondContact OD1-N 3.41Å; N160-S167 PolarHBondContact OD1-O 2.79Å
168H85.7Confident78.9Confident48 Ų4852.9 Ų52.922%0.22234%0.341CS..  trans-121136.6-175.8-53.784.2000110.9D138 I139 P186D138-H168 IonicContact OD1-CG 3.37Å; D138-H168 PolarHBondContact OD1-N 3.44Å; D138-H168 IonicContact OD1-ND1 2.72Å; D138-H168 PolarHBondContact OD1-ND1 2.85Å; I139-H168 PolarHBondContact N-O 3.41Å; H168-P186 HydrophobicContact CB-CG 3.81Å
169L88.3Confident78.6Confident50 Ų5052.7 Ų52.726%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-93.7123166.4-170.652000108.3I139 E149 L152 I156I139-L169 HydrophobicContact CB-CD1 4.09Å; I139-L169 HydrophobicContact CG2-CD1 3.98Å; E149-L169 HydrophobicContact CG-CD2 4.21Å; L152-L169 HydrophobicContact CB-CD1 4.05Å; L152-L169 HydrophobicContact CB-CD2 4.46Å; L152-L169 HydrophobicContact CD1-CD1 4.39Å; I156-L169 HydrophobicContact CD1-CB 3.41Å; I156-L169 VanDerWaalsContact CD1-CB 3.41Å; I156-L169 HydrophobicContact CD1-CD1 3.76Å; I156-L169 HydrophobicContact CD1-CD2 4.38Å; I156-L169 HydrophobicContact CD1-CG 4.01Å
170I87.4Confident78.4Confident14 Ų1457.4 Ų57.47%0.07236%0.361CS..EExtended strand (participates in β ladder)trans-116.7108.9174.5-62.8154.6000106.9I139 I140 N141 V172 T181 S185 V187I139-I170 PolarHBondContact O-N 3.18Å; I140-I170 CarbonylContact C-O 3.57Å; I140-I170 WeakPolarHBondContact CA-O 3.49Å; I140-I170 HydrophobicContact CG1-CB 4.49Å; I140-I170 HydrophobicContact CG1-CD1 4.21Å; I140-I170 HydrophobicContact CG2-CB 4.09Å; I140-I170 HydrophobicContact CG2-CG2 3.98Å; N141-I170 PolarHBondContact N-O 3.07Å; I170-V172 HydrophobicContact CG2-CG2 4.13Å; I170-T181 HydrophobicContact CG2-CG2 4.1Å; I170-S185 VanDerWaalsContact CD1-CB 3.46Å; I170-V187 HydrophobicContact CD1-CG2 3.49Å; I170-V187 VanDerWaalsContact CD1-CG2 3.49Å
171S85.3Confident78.5Confident46 Ų4657.9 Ų57.932%0.32237%0.365SS..EExtended strand (participates in β ladder)trans-94.6117174.8-166.90000108.3N145N145-S171 VanDerWaalsContact CG-OG 3.22Å; N145-S171 PolarHBondContact ND2-OG 2.96Å
172V84.5Confident78.7Confident0 Ų055.6 Ų55.60%034%0.342CS..EExtended strand (participates in β ladder)trans-96.6124.2179.2-174.90000109.2F21 I140 N141 F142 N145 I170 L178 T181F21-V172 HydrophobicContact CE1-CG1 4.35Å; F21-V172 HydrophobicContact CZ-CG1 4.45Å; I140-V172 HydrophobicContact CG2-CG2 3.95Å; N141-V172 PolarHBondContact O-N 2.7Å; F142-V172 HydrophobicContact CD1-CB 3.59Å; F142-V172 HydrophobicContact CD1-CG1 4.11Å; F142-V172 HydrophobicContact CD1-CG2 3.54Å; F142-V172 HydrophobicContact CE1-CB 3.94Å; F142-V172 HydrophobicContact CE1-CG1 4.35Å; F142-V172 HydrophobicContact CE1-CG2 3.38Å; F142-V172 HydrophobicContact CZ-CG2 4.33Å; N145-V172 PolarHBondContact ND2-O 3.36Å; I170-V172 HydrophobicContact CG2-CG2 4.13Å; V172-L178 HydrophobicContact CB-CD2 4.49Å; V172-L178 HydrophobicContact CG1-CD2 3.82Å; V172-T181 HydrophobicContact CG1-CG2 4.44Å; V172-T181 HydrophobicContact CG2-CG2 3.83Å
173A80.6Confident79.2Confident52 Ų5251.3 Ų51.343%0.4333%0.326SS..PPolyproline II helixtrans-61.8138.117700000110.4G175 T176A173-G175 PolarHBondContact O-N 3.24Å; A173-T176 HydrophobicContact CB-CG2 4.39Å; A173-T176 PolarHBondContact O-N 3Å; A173-T176 PolarHBondContact O-OG1 3.28Å; A173-T176 VanDerWaalsContact O-OG1 3.12Å
174P76.1Confident79.8Confident85 Ų8551.6 Ų51.655%0.55233%0.332SS*.THydrogen-bonded Turntrans-62.4132.5175.526.4-33.4000109.9
175G72Confident80.4Confident62 Ų6248.7 Ų48.764%0.63930%0.301SS*.THydrogen-bonded Turntrans96.9-9176.900000116.3A173A173-G175 PolarHBondContact O-N 3.24Å
176T79.9Confident80.4Confident61 Ų6147 Ų4737%0.37429%0.291SS..SBendtrans-85.7157.3168.761.10000110.9F21 A173 L178F21-T176 WeakPolarHBondContact CD1-O 3.44Å; F21-T176 WeakPolarHBondContact CE1-O 3.32Å; A173-T176 HydrophobicContact CB-CG2 4.39Å; A173-T176 PolarHBondContact O-N 3Å; A173-T176 PolarHBondContact O-OG1 3.28Å; A173-T176 VanDerWaalsContact O-OG1 3.12Å; T176-L178 PolarHBondContact O-N 3.16Å
177V82Confident80.2Confident78 Ų7846.6 Ų46.647%0.47329%0.288SS..  trans-74.1126.5175.1-1760000109.2H179 D180V177-H179 HydrophobicContact CG1-CB 3.95Å; V177-H179 PolarHBondContact O-N 3.35Å; V177-H179 VanDerWaalsContact O-N 3.11Å; V177-D180 PolarHBondContact O-N 2.82Å; V177-D180 VanDerWaalsContact O-N 3.09Å
178L81.3Confident79.6Confident2 Ų247.6 Ų47.61%0.0129%0.294CS..Hα-helixtrans-53.2-37.4-177-57.1-166.6000113.5F21 A28 A32 F142 V172 T176 D180 L182F21-L178 HydrophobicContact CD1-CD2 3.31Å; F21-L178 HydrophobicContact CD1-CG 3.88Å; F21-L178 HydrophobicContact CD2-CD1 4.44Å; F21-L178 HydrophobicContact CD2-CD2 3.97Å; F21-L178 HydrophobicContact CD2-CG 4.42Å; F21-L178 HydrophobicContact CE1-CD2 3.1Å; F21-L178 HydrophobicContact CE1-CG 4.17Å; F21-L178 HydrophobicContact CE2-CD2 3.77Å; F21-L178 HydrophobicContact CG-CD1 4.41Å; F21-L178 HydrophobicContact CG-CD2 3.75Å; F21-L178 HydrophobicContact CG-CG 4.02Å; F21-L178 HydrophobicContact CZ-CD2 3.33Å; A28-L178 HydrophobicContact CB-CD1 3.78Å; A28-L178 HydrophobicContact CB-CG 3.93Å; A32-L178 HydrophobicContact CB-CB 4.45Å; F142-L178 HydrophobicContact CD1-CD1 3.77Å; F142-L178 HydrophobicContact CD1-CD2 3.14Å; F142-L178 HydrophobicContact CD1-CG 3.96Å; F142-L178 HydrophobicContact CE1-CB 3.85Å; F142-L178 HydrophobicContact CE1-CD1 3.67Å; F142-L178 HydrophobicContact CE1-CD2 3.33Å; F142-L178 HydrophobicContact CE1-CG 3.79Å; F142-L178 HydrophobicContact CG-CD1 4.3Å; F142-L178 HydrophobicContact CG-CD2 4.21Å; F142-L178 HydrophobicContact CZ-CD1 4.14Å; F142-L178 HydrophobicContact CZ-CD2 4.49Å; V172-L178 HydrophobicContact CB-CD2 4.49Å; V172-L178 HydrophobicContact CG1-CD2 3.82Å; T176-L178 PolarHBondContact O-N 3.16Å; L178-D180 VanDerWaalsContact C-N 3.33Å; L178-D180 PolarHBondContact O-N 2.85Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 2.73Å; L178-L182 VanDerWaalsContact O-N 3.16Å
179H80.1Confident78.5Confident50 Ų5048.6 Ų48.623%0.23131%0.31CS..Hα-helixtrans-54.2-46178-70.6-72.3000114.3D31 A32 V177 L182 M183D31-H179 WeakPolarHBondContact CB-CE1 3.44Å; D31-H179 WeakPolarHBondContact CB-NE2 3.5Å; D31-H179 PolarHBondContact O-CE1 3.45Å; D31-H179 VanDerWaalsContact O-CE1 3.28Å; D31-H179 IonicContact OD2-NE2 2.71Å; A32-H179 PolarHBondContact N-CE1 2.9Å; V177-H179 HydrophobicContact CG1-CB 3.95Å; V177-H179 PolarHBondContact O-N 3.35Å; V177-H179 VanDerWaalsContact O-N 3.11Å; H179-L182 PolarHBondContact O-N 2.91Å; H179-L182 VanDerWaalsContact O-N 3.16Å; H179-M183 WeakPolarHBondContact O-CG 3.26Å; H179-M183 PolarHBondContact O-N 3.27Å
180D82.3Confident77Confident112 Ų11246.7 Ų46.760%0.59930%0.303SS*.Hα-helixtrans-72.1-40.7-169-162.421.8000110.6V177 L178 L182 M183 T184V177-D180 PolarHBondContact O-N 2.82Å; V177-D180 VanDerWaalsContact O-N 3.09Å; L178-D180 VanDerWaalsContact C-N 3.33Å; L178-D180 PolarHBondContact O-N 2.85Å; D180-L182 VanDerWaalsContact C-N 3.27Å; D180-L182 PolarHBondContact O-N 3.46Å; D180-M183 PolarHBondContact O-N 3.33Å; D180-T184 PolarHBondContact O-N 3.45Å; D180-T184 PolarHBondContact O-OG1 2.86Å
181T83Confident75.7Confident40 Ų4048.4 Ų48.425%0.24531%0.31CS..Hα-helixtrans-62.7-36.5171.8-48.90000111.6I170 V172 T184 S185I170-T181 HydrophobicContact CG2-CG2 4.1Å; V172-T181 HydrophobicContact CG1-CG2 4.44Å; V172-T181 HydrophobicContact CG2-CG2 3.83Å; T181-T184 PolarHBondContact O-N 2.67Å; T181-S185 WeakPolarHBondContact O-CB 3.44Å; T181-S185 PolarHBondContact O-N 3.11Å
182L82.3Confident73.5Confident0 Ų051.3 Ų51.30%032%0.322CS..Hα-helixtrans-71.9-34.6177.9-72.5174000113.8A32 L35 F111 I140 L178 H179 D180 T184 S185 V188A32-L182 HydrophobicContact CB-CD1 3.42Å; A32-L182 VanDerWaalsContact CB-CD1 3.42Å; L35-L182 HydrophobicContact CD2-CB 4.33Å; F111-L182 HydrophobicContact CE1-CD1 4.22Å; F111-L182 HydrophobicContact CZ-CD1 4.45Å; I140-L182 HydrophobicContact CD1-CD2 3.57Å; I140-L182 HydrophobicContact CG1-CD2 3.96Å; I140-L182 HydrophobicContact CG2-CD2 4.04Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.46Å; L178-L182 PolarHBondContact O-N 2.73Å; L178-L182 VanDerWaalsContact O-N 3.16Å; H179-L182 PolarHBondContact O-N 2.91Å; H179-L182 VanDerWaalsContact O-N 3.16Å; D180-L182 VanDerWaalsContact C-N 3.27Å; D180-L182 PolarHBondContact O-N 3.46Å; L182-T184 VanDerWaalsContact C-N 3.29Å; L182-T184 PolarHBondContact O-N 2.73Å; L182-S185 WeakPolarHBondContact CA-OG 3.37Å; L182-S185 WeakPolarHBondContact O-CB 3.27Å; L182-S185 PolarHBondContact O-N 3.44Å; L182-S185 VanDerWaalsContact O-N 3.11Å; L182-S185 PolarHBondContact O-OG 2.87Å; L182-V188 WeakPolarHBondContact O-CB 3.23Å; L182-V188 VanDerWaalsContact O-CG2 3.25Å; L182-V188 WeakPolarHBondContact O-CG2 3.48Å
183M79.8Confident71.4Confident103 Ų10354.3 Ų54.351%0.50735%0.353SS..Hα-helixtrans-60.9-41.6174-73.1-64-88.800111.6L35 H179 D180 S185 V188L35-M183 HydrophobicContact CD1-SD 3.56Å; L35-M183 VanDerWaalsContact CD1-SD 3.56Å; L35-M183 HydrophobicContact CD2-CG 3.74Å; L35-M183 HydrophobicContact CD2-SD 3.5Å; L35-M183 WeakPolarHBondContact CD2-SD 3.45Å; L35-M183 HydrophobicContact CG-SD 3.97Å; H179-M183 WeakPolarHBondContact O-CG 3.26Å; H179-M183 PolarHBondContact O-N 3.27Å; D180-M183 PolarHBondContact O-N 3.33Å; M183-S185 VanDerWaalsContact C-N 3.26Å; M183-S185 PolarHBondContact O-N 2.91Å; M183-V188 HydrophobicContact SD-CG1 4.17Å
184T76.9Confident69.3Low120 Ų12057.6 Ų57.674%0.73637%0.373SS*.Hα-helixtrans-75.1-19.9176.9-51.60000112D180 T181 L182D180-T184 PolarHBondContact O-N 3.45Å; D180-T184 PolarHBondContact O-OG1 2.86Å; T181-T184 PolarHBondContact O-N 2.67Å; L182-T184 VanDerWaalsContact C-N 3.29Å; L182-T184 PolarHBondContact O-N 2.73Å
185S76.4Confident67.5Low6 Ų656.5 Ų56.54%0.04238%0.377CS..SBendtrans-74.5152.1-172.7820000113.7I170 T181 L182 M183 V187 V188 A189I170-S185 VanDerWaalsContact CD1-CB 3.46Å; T181-S185 WeakPolarHBondContact O-CB 3.44Å; T181-S185 PolarHBondContact O-N 3.11Å; L182-S185 WeakPolarHBondContact CA-OG 3.37Å; L182-S185 WeakPolarHBondContact O-CB 3.27Å; L182-S185 PolarHBondContact O-N 3.44Å; L182-S185 VanDerWaalsContact O-N 3.11Å; L182-S185 PolarHBondContact O-OG 2.87Å; M183-S185 VanDerWaalsContact C-N 3.26Å; M183-S185 PolarHBondContact O-N 2.91Å; S185-V187 PolarHBondContact O-N 3.47Å; S185-V188 PolarHBondContact O-N 3.35Å; S185-V188 VanDerWaalsContact O-N 3.08Å; S185-A189 PolarHBondContact O-N 3.25Å; S185-A189 VanDerWaalsContact O-N 3.13Å
186P68.8Low65.8Low45 Ų4559.4 Ų59.429%0.29238%0.375SS..Hα-helixtrans-61.5-12.8176.824.7-35000114H168 V188 G190H168-P186 HydrophobicContact CB-CG 3.81Å; P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 PolarHBondContact O-N 2.96Å; P186-G190 WeakPolarHBondContact O-CA 3.19Å; P186-G190 PolarHBondContact O-N 3.47Å
187V69.7Low63.6Low1 Ų160.9 Ų60.91%0.00639%0.394CS..Hα-helixtrans-63.4-40.3174.5-179.40000110.6I36 R43 V109 D138 I170 S185I36-V187 HydrophobicContact CD1-CG1 4.04Å; I36-V187 HydrophobicContact CG1-CG1 4.2Å; I36-V187 HydrophobicContact CG2-CG1 4.33Å; R43-V187 PolarHBondContact NH2-O 3.47Å; V109-V187 HydrophobicContact CG2-CG1 4.31Å; D138-V187 HydrophobicContact CB-CG2 3.84Å; I170-V187 HydrophobicContact CD1-CG2 3.49Å; I170-V187 VanDerWaalsContact CD1-CG2 3.49Å; S185-V187 PolarHBondContact O-N 3.47Å
188V69.5Low61.6Low25 Ų2560.2 Ų60.215%0.15240%0.403CS..Hα-helixtrans-98.6-30.4-177.1176.80000112.9R43 L182 M183 S185 P186R43-V188 VanDerWaalsContact NH2-CA 3.32Å; R43-V188 PolarHBondContact NH2-O 3.21Å; L182-V188 WeakPolarHBondContact O-CB 3.23Å; L182-V188 VanDerWaalsContact O-CG2 3.25Å; L182-V188 WeakPolarHBondContact O-CG2 3.48Å; M183-V188 HydrophobicContact SD-CG1 4.17Å; S185-V188 PolarHBondContact O-N 3.35Å; S185-V188 VanDerWaalsContact O-N 3.08Å; P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 PolarHBondContact O-N 2.96Å
189A61.2Low59.4Low68 Ų6864.3 Ų64.356%0.56244%0.437SS*.Hα-helixtrans-76.7-3317300000112.9S185S185-A189 PolarHBondContact O-N 3.25Å; S185-A189 VanDerWaalsContact O-N 3.13Å
190G58.3Low57.4Low11 Ų1165.7 Ų65.711%0.11347%0.465CS..  trans91.5134.7179.800000111.7R43 P186 D192R43-G190 VanDerWaalsContact CZ-CA 3.45Å; R43-G190 VanDerWaalsContact NH1-CA 3.26Å; R43-G190 VanDerWaalsContact NH2-CA 3.28Å; P186-G190 WeakPolarHBondContact O-CA 3.19Å; P186-G190 PolarHBondContact O-N 3.47Å; G190-D192 CarbonylContact O-C 3.59Å; G190-D192 PolarHBondContact O-N 2.89Å; G190-D192 VanDerWaalsContact O-N 3.14Å
191E58.8Low55.3Low49 Ų4966.1 Ų66.123%0.22947%0.466CS..SBendtrans-53.7-26.3174.5176.9-178.5155.400113.1R107 N136 T165 G193R107-E191 IonicContact CZ-OE2 3.42Å; R107-E191 IonicContact NH1-OE2 3.15Å; R107-E191 IonicContact NH2-OE2 3.62Å; R107-E191 PolarHBondContact NH2-OE2 3.3Å; N136-E191 PolarHBondContact ND2-OE2 2.92Å; T165-E191 WeakPolarHBondContact CB-OE1 3.01Å; T165-E191 VanDerWaalsContact O-CG 3.24Å; T165-E191 WeakPolarHBondContact O-CG 2.88Å; T165-E191 PolarHBondContact OG1-OE1 3.48Å; E191-G193 PolarHBondContact O-N 2.91Å
192D40Very low53.4Low108 Ų10868.5 Ų68.558%0.57850%0.498SS*.SBendtrans-87.290.1168.2-58.8-39000107.7G190 S194G190-D192 CarbonylContact O-C 3.59Å; G190-D192 PolarHBondContact O-N 2.89Å; G190-D192 VanDerWaalsContact O-N 3.14Å; D192-S194 PolarHBondContact O-N 3.46Å
193G40Very low51.7Low63 Ų6373.6 Ų73.665%0.64953%0.525SS*.  trans-62.543.5173.900000114.7E191 G195E191-G193 PolarHBondContact O-N 2.91Å; G193-G195 VanDerWaalsContact C-N 3.27Å
194S36.4Very low50.2Low120 Ų12078.3 Ų78.384%0.83955%0.546SS*.  trans-9113.7172.7-176.40000111.9D192D192-S194 PolarHBondContact O-N 3.46Å
195G38.3Very low48.9Very low62 Ų6280.1 Ų80.164%0.63954%0.544SS*.SBendtrans-106.7100.8159.900000108.2G193G193-G195 VanDerWaalsContact C-N 3.27Å
196M36.7Very low47.8Very low123 Ų12384 Ų8461%0.60659%0.585SS**  trans45.775162.1-155.866.270.100115.8G198M196-G198 PolarHBondContact O-N 2.91Å
197A33.7Very low46.9Very low93 Ų9386.4 Ų86.477%0.76960%0.595SS**  trans-62.788.7149.400000107.1A199A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 2.84Å
198G40.7Very low46.2Very low64 Ų6490.6 Ų90.666%0.6662%0.617SS**  trans-54.896.9170.900000108.5M196 G200M196-G198 PolarHBondContact O-N 2.91Å; G198-G200 PolarHBondContact O-N 3.06Å
199A35.2Very low45.8Very low88 Ų8890.4 Ų90.473%0.72762%0.621SS**  trans-62.292165.600000107.9A197 L201A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 2.84Å; A199-L201 VanDerWaalsContact C-N 3.27Å; A199-L201 PolarHBondContact O-N 2.84Å
200G37.1Very low46Very low78 Ų7891 Ų9180%0.80463%0.625SS**SBendtrans54.525.3141.600000118.9G198G198-G200 PolarHBondContact O-N 3.06Å
201L39.5Very low46.4Very low122 Ų12297.4 Ų97.464%0.63965%0.652SS**  trans-115.3106.6171.4-64.5175.4000107.7A199 L203A199-L201 VanDerWaalsContact C-N 3.27Å; A199-L201 PolarHBondContact O-N 2.84Å; L201-L203 HydrophobicContact CB-CD1 4.36Å; L201-L203 PolarHBondContact O-N 2.96Å
202G43Very low47Very low89 Ų8999.6 Ų99.692%0.91867%0.666SS**  trans-63.774.2179.300000112.9
203L45.7Very low49Very low107 Ų10798.7 Ų98.756%0.5667%0.666SS**  trans-103.679.6170.1-75154.9000107.3L201 F205L201-L203 HydrophobicContact CB-CD1 4.36Å; L201-L203 PolarHBondContact O-N 2.96Å; L203-F205 PolarHBondContact O-N 3.11Å
204E49.5Very low51Low203 Ų203101.8 Ų101.895%0.94967%0.667SS**  trans-73.956.3168.8-169.2172.5161.800110
205F47.6Very low53.1Low158 Ų15899.2 Ų99.269%0.69364%0.644SS**SBendtrans-131.2116.8165.6-137.3-98.1000103.1L203 L207L203-F205 PolarHBondContact O-N 3.11Å; F205-L207 HydrophobicContact CB-CD1 3.91Å; F205-L207 HydrophobicContact CB-CG 4.2Å; F205-L207 HydrophobicContact CD1-CD1 3.98Å; F205-L207 HydrophobicContact CD1-CD2 4.38Å; F205-L207 HydrophobicContact CD1-CG 4.03Å; F205-L207 HydrophobicContact CG-CD1 4.37Å; F205-L207 PolarHBondContact O-N 2.86Å
206G53.3Low55.1Low88 Ų88100.4 Ų100.491%0.90764%0.635SS**  trans-63.757.3-170.800000114.5
207L51.6Low57.4Low95 Ų95102.3 Ų102.350%0.49764%0.637SS.*  trans-97.796.3-177.6-65.6166.9000105.5F205 G209 L215F205-L207 HydrophobicContact CB-CD1 3.91Å; F205-L207 HydrophobicContact CB-CG 4.2Å; F205-L207 HydrophobicContact CD1-CD1 3.98Å; F205-L207 HydrophobicContact CD1-CD2 4.38Å; F205-L207 HydrophobicContact CD1-CG 4.03Å; F205-L207 HydrophobicContact CG-CD1 4.37Å; F205-L207 PolarHBondContact O-N 2.86Å; L207-G209 PolarHBondContact O-N 2.97Å; L207-G209 VanDerWaalsContact O-N 3.16Å; L207-L215 HydrophobicContact CD1-CD2 4.11Å; L207-L215 HydrophobicContact CD2-CD2 4.01Å
208D55.1Low60Low88 Ų88100 Ų10047%0.47162%0.617SS.*  trans-59.4117.3168.6-173.92.5000108A210 E211D208-A210 PolarHBondContact O-N 2.87Å; D208-A210 WeakPolarHBondContact OD1-CB 3.31Å; D208-A210 PolarHBondContact OD1-N 3Å; D208-A210 VanDerWaalsContact OD1-N 3.09Å; D208-E211 HydrophobicContact CB-CB 4.5Å; D208-E211 HydrophobicContact CB-CG 4.03Å; D208-E211 PolarHBondContact O-N 3.38Å
209G59.8Low62Low22 Ų22100.3 Ų100.323%0.22760%0.603CS.*THydrogen-bonded Turntrans-63.3-4.517600000113.2L207 L216L207-G209 PolarHBondContact O-N 2.97Å; L207-G209 VanDerWaalsContact O-N 3.16Å; G209-L216 WeakPolarHBondContact O-CD1 3.33Å
210A65.3Low64.4Low79 Ų79105 Ų10565%0.65360%0.603SS**THydrogen-bonded Turntrans-84.3-21.9169.900000114.2D208D208-A210 PolarHBondContact O-N 2.87Å; D208-A210 WeakPolarHBondContact OD1-CB 3.31Å; D208-A210 PolarHBondContact OD1-N 3Å; D208-A210 VanDerWaalsContact OD1-N 3.09Å
211E67.2Low66.7Low146 Ų146104.6 Ų104.668%0.68258%0.584SS**THydrogen-bonded Turntrans-82.7-31.8-171.1-75.3-174.6161.900113.6D208D208-E211 HydrophobicContact CB-CB 4.5Å; D208-E211 HydrophobicContact CB-CG 4.03Å; D208-E211 PolarHBondContact O-N 3.38Å
212D71.9Confident68.8Low96 Ų96101.8 Ų101.851%0.51357%0.574SS.*  trans-14196179.1-92.8-36000113D214 L215 L216D212-D214 PolarHBondContact O-N 3.19Å; D212-L215 HydrophobicContact CB-CB 3.79Å; D212-L215 PolarHBondContact O-N 3.12Å; D212-L216 PolarHBondContact O-N 3.08Å
213P81.5Confident70.8Confident89 Ų89102.5 Ų102.558%0.57856%0.555SS**Hα-helixtrans-63.1-28.517526.9-34.3000112.4L215 L216 Y217P213-L215 VanDerWaalsContact C-N 3.34Å; P213-L216 PolarHBondContact O-N 3.48Å; P213-Y217 PolarHBondContact O-N 2.79Å
214D81.6Confident72.8Confident127 Ų127102.5 Ų102.568%0.67955%0.552SS**Hα-helixtrans-67.3-35.3176.9-70-5.3000111.5D212 Y217 A218D212-D214 PolarHBondContact O-N 3.19Å; D214-Y217 PolarHBondContact O-N 3.28Å; D214-A218 WeakPolarHBondContact O-CB 3.4Å; D214-A218 PolarHBondContact O-N 3.17Å
215L81.4Confident74.6Confident67 Ų6796.8 Ų96.835%0.35153%0.528SS..Hα-helixtrans-70.5-39.6175.3-176.463.4000111.4L207 D212 P213 Y217 A218 L219L207-L215 HydrophobicContact CD1-CD2 4.11Å; L207-L215 HydrophobicContact CD2-CD2 4.01Å; D212-L215 HydrophobicContact CB-CB 3.79Å; D212-L215 PolarHBondContact O-N 3.12Å; P213-L215 VanDerWaalsContact C-N 3.34Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 3.01Å; L215-A218 PolarHBondContact O-N 2.93Å; L215-L219 HydrophobicContact CG-CD1 4.47Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 WeakPolarHBondContact O-CG 3.38Å; L215-L219 PolarHBondContact O-N 3.41Å
216L80.3Confident76.2Confident86 Ų8694.7 Ų94.745%0.4552%0.521SS..Hα-helixtrans-60.8-42.4172.2-79.6174.4000111.6G209 D212 P213 L219 R220G209-L216 WeakPolarHBondContact O-CD1 3.33Å; D212-L216 PolarHBondContact O-N 3.08Å; P213-L216 PolarHBondContact O-N 3.48Å; L216-L219 PolarHBondContact O-N 2.83Å; L216-R220 WeakPolarHBondContact O-CB 3.5Å; L216-R220 PolarHBondContact O-N 3.1Å
217Y84.6Confident77.7Confident164 Ų16497.7 Ų97.764%0.64351%0.505SS*.Hα-helixtrans-62.7-45.7174-175.3-101.4000111P213 D214 L215 L219 R220 V221P213-Y217 PolarHBondContact O-N 2.79Å; D214-Y217 PolarHBondContact O-N 3.28Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 3.01Å; Y217-L219 PolarHBondContact O-N 3.44Å; Y217-R220 PolarHBondContact O-N 2.96Å; Y217-V221 HydrophobicContact CD1-CG2 3.97Å; Y217-V221 HydrophobicContact CD2-CG2 4.48Å; Y217-V221 HydrophobicContact CE1-CG2 3.63Å; Y217-V221 HydrophobicContact CE2-CG2 4.17Å; Y217-V221 HydrophobicContact CG-CG2 4.39Å; Y217-V221 WeakPolarHBondContact O-CB 3.31Å; Y217-V221 VanDerWaalsContact O-CG2 3.26Å; Y217-V221 WeakPolarHBondContact O-CG2 3.39Å; Y217-V221 PolarHBondContact O-N 3.46Å
218A87.3Confident79.1Confident44 Ų4498.9 Ų98.936%0.36451%0.509SS..Hα-helixtrans-61.8-40178.100000112.9D214 L215 S222D214-A218 WeakPolarHBondContact O-CB 3.4Å; D214-A218 PolarHBondContact O-N 3.17Å; L215-A218 PolarHBondContact O-N 2.93Å; A218-S222 VanDerWaalsContact O-CB 3.24Å; A218-S222 WeakPolarHBondContact O-CB 3.48Å; A218-S222 PolarHBondContact O-N 2.89Å; A218-S222 PolarHBondContact O-OG 2.96Å
219L84.2Confident80.3Confident70 Ų70102 Ų10237%0.36651%0.514SS..Hα-helixtrans-69.5-39.6175.9-76.8174.2000112L215 L216 Y217 S222 M223L215-L219 HydrophobicContact CG-CD1 4.47Å; L215-L219 WeakPolarHBondContact O-CB 3.36Å; L215-L219 WeakPolarHBondContact O-CG 3.38Å; L215-L219 PolarHBondContact O-N 3.41Å; L216-L219 PolarHBondContact O-N 2.83Å; Y217-L219 PolarHBondContact O-N 3.44Å; L219-S222 PolarHBondContact O-N 3.38Å; L219-M223 WeakPolarHBondContact O-CB 3.34Å; L219-M223 WeakPolarHBondContact O-CG 3.38Å; L219-M223 PolarHBondContact O-N 2.94Å
220R84.3Confident81.2Confident188 Ų188106.7 Ų106.771%0.70953%0.53SS*.Hα-helixtrans-61.9-48.1172.9175177.3-92.3162.3-6.5110.9L216 Y217 S222 M223 E224L216-R220 WeakPolarHBondContact O-CB 3.5Å; L216-R220 PolarHBondContact O-N 3.1Å; Y217-R220 PolarHBondContact O-N 2.96Å; R220-S222 VanDerWaalsContact C-N 3.31Å; R220-S222 PolarHBondContact O-N 2.62Å; R220-M223 PolarHBondContact O-N 3.22Å; R220-E224 WeakPolarHBondContact O-CB 3.43Å; R220-E224 PolarHBondContact O-N 3.14Å
221V86.5Confident81.9Confident69 Ų69107.4 Ų107.442%0.41852%0.52SS..Hα-helixtrans-61.3-40.4176.41710000110.8Y217 E224 D225Y217-V221 HydrophobicContact CD1-CG2 3.97Å; Y217-V221 HydrophobicContact CD2-CG2 4.48Å; Y217-V221 HydrophobicContact CE1-CG2 3.63Å; Y217-V221 HydrophobicContact CE2-CG2 4.17Å; Y217-V221 HydrophobicContact CG-CG2 4.39Å; Y217-V221 WeakPolarHBondContact O-CB 3.31Å; Y217-V221 VanDerWaalsContact O-CG2 3.26Å; Y217-V221 WeakPolarHBondContact O-CG2 3.39Å; Y217-V221 PolarHBondContact O-N 3.46Å; V221-E224 PolarHBondContact O-N 3.3Å; V221-D225 WeakPolarHBondContact O-CB 3.45Å; V221-D225 PolarHBondContact O-N 2.92Å
222S84.2Confident82.1Confident62 Ų62107.7 Ų107.743%0.43452%0.521SS..Hα-helixtrans-70-36178.8-61.40000113.1A218 L219 R220 Q226A218-S222 VanDerWaalsContact O-CB 3.24Å; A218-S222 WeakPolarHBondContact O-CB 3.48Å; A218-S222 PolarHBondContact O-N 2.89Å; A218-S222 PolarHBondContact O-OG 2.96Å; L219-S222 PolarHBondContact O-N 3.38Å; R220-S222 VanDerWaalsContact C-N 3.31Å; R220-S222 PolarHBondContact O-N 2.62Å; S222-Q226 VanDerWaalsContact O-CB 3.31Å; S222-Q226 WeakPolarHBondContact O-CB 3.46Å; S222-Q226 WeakPolarHBondContact O-CG 3.3Å; S222-Q226 PolarHBondContact O-N 3.42Å
223M84.6Confident82.1Confident105 Ų105109.3 Ų109.352%0.51753%0.526SS..Hα-helixtrans-69.9-40174.3-80.6-71.6-157.200111.8L219 R220 R227L219-M223 WeakPolarHBondContact O-CB 3.34Å; L219-M223 WeakPolarHBondContact O-CG 3.38Å; L219-M223 PolarHBondContact O-N 2.94Å; R220-M223 PolarHBondContact O-N 3.22Å; M223-R227 WeakPolarHBondContact O-CB 3.37Å; M223-R227 PolarHBondContact O-N 2.76Å
224E86.8Confident81.2Confident106 Ų106110.8 Ų110.850%0.49553%0.532SS..Hα-helixtrans-65.6-44.5175.7-162.578.9-133.800111R220 V221 R227 M228R220-E224 WeakPolarHBondContact O-CB 3.43Å; R220-E224 PolarHBondContact O-N 3.14Å; V221-E224 PolarHBondContact O-N 3.3Å; E224-R227 PolarHBondContact O-N 2.77Å; E224-M228 PolarHBondContact O-N 2.97Å
225D86.6Confident80.2Confident83 Ų83111.6 Ų111.644%0.44454%0.537SS..Hα-helixtrans-65.4-39.5176.6-168.265.2000111.8V221 M228 R229V221-D225 WeakPolarHBondContact O-CB 3.45Å; V221-D225 PolarHBondContact O-N 2.92Å; D225-M228 PolarHBondContact O-N 3.41Å; D225-R229 WeakPolarHBondContact O-CB 3.03Å; D225-R229 WeakPolarHBondContact O-CG 3.14Å; D225-R229 PolarHBondContact O-N 3.27Å; D225-R229 IonicContact OD2-NE 3.09Å; D225-R229 PolarHBondContact OD2-NE 2.97Å
226Q82.4Confident79Confident114 Ų114111.1 Ų111.153%0.53355%0.548SS..Hα-helixtrans-65.8-38.2173.5-81.8-171.6-500112.5S222 R229 Q230S222-Q226 VanDerWaalsContact O-CB 3.31Å; S222-Q226 WeakPolarHBondContact O-CB 3.46Å; S222-Q226 WeakPolarHBondContact O-CG 3.3Å; S222-Q226 PolarHBondContact O-N 3.42Å; Q226-R229 PolarHBondContact O-N 3.12Å; Q226-Q230 WeakPolarHBondContact O-CG 3.28Å; Q226-Q230 PolarHBondContact O-N 3.1Å
227R83.7Confident77.4Confident151 Ų151114 Ų11457%0.5756%0.564SS**Hα-helixtrans-65.5-46.3175.7-177.1179.5178.4160.11.8111.3M223 E224 R229 Q230 E231M223-R227 WeakPolarHBondContact O-CB 3.37Å; M223-R227 PolarHBondContact O-N 2.76Å; E224-R227 PolarHBondContact O-N 2.77Å; R227-R229 VanDerWaalsContact C-N 3.3Å; R227-R229 PolarHBondContact O-N 3.26Å; R227-Q230 PolarHBondContact O-N 2.92Å; R227-E231 WeakPolarHBondContact CG-OE1 3.22Å; R227-E231 IonicContact CZ-OE1 3.9Å; R227-E231 IonicContact NE-OE1 3.74Å; R227-E231 PolarHBondContact NE-OE1 3.16Å; R227-E231 IonicContact NH2-OE1 3.31Å; R227-E231 WeakPolarHBondContact O-CG 3.11Å; R227-E231 PolarHBondContact O-N 3.11Å
228M81.6Confident75.3Confident120 Ų120110.1 Ų110.159%0.59157%0.573SS**Hα-helixtrans-60.2-39.6174.6-81.1-164.1174.800111.9E224 D225 E231 H232E224-M228 PolarHBondContact O-N 2.97Å; D225-M228 PolarHBondContact O-N 3.41Å; M228-E231 PolarHBondContact O-N 3.37Å; M228-H232 VanDerWaalsContact O-CB 3.3Å; M228-H232 WeakPolarHBondContact O-CB 3.26Å; M228-H232 PolarHBondContact O-N 3.16Å
229R80.7Confident73Confident155 Ų155112.6 Ų112.659%0.58559%0.588SS**Hα-helixtrans-62.9-44.1174-80.7175.6180-127.4-1.3112.5D225 Q226 R227 H232 E233D225-R229 WeakPolarHBondContact O-CB 3.03Å; D225-R229 WeakPolarHBondContact O-CG 3.14Å; D225-R229 PolarHBondContact O-N 3.27Å; D225-R229 IonicContact OD2-NE 3.09Å; D225-R229 PolarHBondContact OD2-NE 2.97Å; Q226-R229 PolarHBondContact O-N 3.12Å; R227-R229 VanDerWaalsContact C-N 3.3Å; R227-R229 PolarHBondContact O-N 3.26Å; R229-H232 PolarHBondContact O-N 3.09Å; R229-E233 WeakPolarHBondContact O-CB 3.35Å; R229-E233 VanDerWaalsContact O-CG 3.31Å; R229-E233 WeakPolarHBondContact O-CG 3.1Å; R229-E233 PolarHBondContact O-N 3.49Å
230Q79Confident70.6Confident120 Ų120116.5 Ų116.556%0.56161%0.61SS**Hα-helixtrans-64.1-41.5176.8-74.8176.320.600111.7Q226 R227 H232 E233 V234Q226-Q230 WeakPolarHBondContact O-CG 3.28Å; Q226-Q230 PolarHBondContact O-N 3.1Å; R227-Q230 PolarHBondContact O-N 2.92Å; Q230-H232 VanDerWaalsContact C-N 3.29Å; Q230-H232 PolarHBondContact O-N 3.4Å; Q230-E233 PolarHBondContact O-N 2.83Å; Q230-V234 VanDerWaalsContact O-CB 3.32Å; Q230-V234 WeakPolarHBondContact O-CB 3.39Å; Q230-V234 WeakPolarHBondContact O-CG2 3.29Å; Q230-V234 PolarHBondContact O-N 2.74Å
231E79.6Confident68.3Low94 Ų94113.7 Ų113.744%0.43961%0.614SS.*Hα-helixtrans-64.7-35.4176.5-70.3174.3-172.600111.5R227 M228 N235R227-E231 WeakPolarHBondContact CG-OE1 3.22Å; R227-E231 IonicContact CZ-OE1 3.9Å; R227-E231 IonicContact NE-OE1 3.74Å; R227-E231 PolarHBondContact NE-OE1 3.16Å; R227-E231 IonicContact NH2-OE1 3.31Å; R227-E231 WeakPolarHBondContact O-CG 3.11Å; R227-E231 PolarHBondContact O-N 3.11Å; M228-E231 PolarHBondContact O-N 3.37Å; E231-N235 VanDerWaalsContact O-CB 3.29Å; E231-N235 WeakPolarHBondContact O-CB 3.46Å; E231-N235 PolarHBondContact O-N 2.96Å; E231-N235 PolarHBondContact O-ND2 3.41Å
232H70.9Confident65.9Low151 Ų151115 Ų11570%0.69963%0.626SS**Hα-helixtrans-78-28.3177.3-147.8-59.7000113.5M228 R229 Q230 G236M228-H232 VanDerWaalsContact O-CB 3.3Å; M228-H232 WeakPolarHBondContact O-CB 3.26Å; M228-H232 PolarHBondContact O-N 3.16Å; R229-H232 PolarHBondContact O-N 3.09Å; Q230-H232 VanDerWaalsContact C-N 3.29Å; Q230-H232 PolarHBondContact O-N 3.4Å; H232-G236 WeakPolarHBondContact O-CA 3.34Å; H232-G236 PolarHBondContact O-N 3.2Å
233E71.3Confident63.7Low131 Ų131118.2 Ų118.261%0.61264%0.642SS**Hα-helixtrans-75-42.3171.6-75.3176.7175.900110.9R229 Q230 N235 G236 D237R229-E233 WeakPolarHBondContact O-CB 3.35Å; R229-E233 VanDerWaalsContact O-CG 3.31Å; R229-E233 WeakPolarHBondContact O-CG 3.1Å; R229-E233 PolarHBondContact O-N 3.49Å; Q230-E233 PolarHBondContact O-N 2.83Å; E233-N235 PolarHBondContact O-N 2.92Å; E233-G236 PolarHBondContact O-N 3.26Å; E233-D237 WeakPolarHBondContact O-CB 3.47Å; E233-D237 PolarHBondContact O-N 3.4Å
234V63.3Low61.3Low119 Ų119119.7 Ų119.772%0.72166%0.657SS**Hα-helixtrans-67.8-34.3177.1174.30000111.9Q230Q230-V234 VanDerWaalsContact O-CB 3.32Å; Q230-V234 WeakPolarHBondContact O-CB 3.39Å; Q230-V234 WeakPolarHBondContact O-CG2 3.29Å; Q230-V234 PolarHBondContact O-N 2.74Å
235N61.2Low58.9Low144 Ų144118.4 Ų118.477%0.7766%0.664SS**Hα-helixtrans-84.2-15.3173.6-78.3-31.3000114E231 E233E231-N235 VanDerWaalsContact O-CB 3.29Å; E231-N235 WeakPolarHBondContact O-CB 3.46Å; E231-N235 PolarHBondContact O-N 2.96Å; E231-N235 PolarHBondContact O-ND2 3.41Å; E233-N235 PolarHBondContact O-N 2.92Å
236G56.7Low56.4Low57 Ų57120.8 Ų120.859%0.58868%0.682SS**Hα-helixtrans-92.6-20.7-177.100000115.1H232 E233H232-G236 WeakPolarHBondContact O-CA 3.34Å; H232-G236 PolarHBondContact O-N 3.2Å; E233-G236 PolarHBondContact O-N 3.26Å
237D45Very low54.3Low148 Ų148120 Ų12079%0.79169%0.69SS**  trans-100.421.6-168-142.718.7000114.7E233 S239E233-D237 WeakPolarHBondContact O-CB 3.47Å; E233-D237 PolarHBondContact O-N 3.4Å; D237-S239 VanDerWaalsContact C-N 3.28Å; D237-S239 PolarHBondContact O-N 2.93Å
238G42Very low52.4Low81 Ų81120.7 Ų120.784%0.83570%0.704SS**  trans-79.216.5-176.500000117.1
239S38.2Very low50.4Low97 Ų97120.6 Ų120.668%0.67871%0.712SS**SBendtrans-131.965.1-173.5171.30000112.7D237D237-S239 VanDerWaalsContact C-N 3.28Å; D237-S239 PolarHBondContact O-N 2.93Å
240N33.4Very low48.3Very low152 Ų152118.3 Ų118.381%0.81373%0.726SS**SBendtrans168.6124.4131.6-92-26.7000113.1
241T37.1Very low46.2Very low129 Ų129116.1 Ų116.179%0.79174%0.736SS**  trans93.180.8151.6-39.30000118.8
242S36.5Very low44.3Very low97 Ų97116.7 Ų116.768%0.67875%0.75SS**  48.5101.4113.4-171.50000119.2
243V36.4Very low42.5Very low128 Ų128113.7 Ų113.778%0.77676%0.76SS**  164.5143.196.1-790000113.1
244V34.2Very low41.2Very low137 Ų137111.6 Ų111.683%0.8376%0.756SS**  trans89.5126155-147.30000120.1
245A37.5Very low41Very low78 Ų78109.8 Ų109.865%0.64575%0.749SS**  trans91.582.5154.100000117.8
246T34.4Very low41.2Very low133 Ų133109.6 Ų109.682%0.81674%0.743SS**  71.8104.393.946.60000117
247S37.8Very low41.7Very low99 Ų99114.1 Ų114.169%0.69275%0.749SS**  trans81.997.5134.757.50000122.8
248L42.8Very low42.9Very low165 Ų165110.4 Ų110.486%0.86474%0.739SS**  75.1152.4117.8-67.4155.2000120.6
249P40.7Very low44.3Very low118 Ų118112.5 Ų112.577%0.76673%0.729SS**  cis-135.6163.2-21.932.8-12.6000115.9
250A36.8Very low46.1Very low107 Ų107113.5 Ų113.588%0.88473%0.726SS**  trans-60.6162.2174.100000115.9
251G33.5Very low48.2Very low74 Ų74112.7 Ų112.776%0.76372%0.717SS**  trans178.4120.2155.900000114.6
252S40.7Very low50.1Low106 Ų106112.9 Ų112.974%0.74171%0.709SS**  trans91.667.5157.4-163.30000118.8T254S252-T254 WeakPolarHBondContact OG-CG2 3.31Å
253G33.3Very low51.9Low88 Ų88110.9 Ų110.991%0.90770%0.699SS**  trans-77.7112.1150.100000109.4
254T43.8Very low53.8Low87 Ų87110.1 Ų110.153%0.53469%0.689SS.*  trans-110.2119.1-179.944.20000109.7S252 E256S252-T254 WeakPolarHBondContact OG-CG2 3.31Å; T254-E256 PolarHBondContact O-N 2.91Å
255S59.4Low55.6Low81 Ų81106.4 Ų106.457%0.56667%0.673SS**SBendtrans45.7-26.5143.452.50000122.9M259S255-M259 WeakPolarHBondContact O-CE 3.48Å; S255-M259 PolarHBondContact O-N 3.02Å
256E64.9Low57Low139 Ų139109.4 Ų109.465%0.6568%0.675SS**Hα-helixtrans-79.6-42.5-173.8-77-177.7143.100112.6T254 A258 M259 L260T254-E256 PolarHBondContact O-N 2.91Å; E256-A258 VanDerWaalsContact C-N 3.3Å; E256-A258 PolarHBondContact O-N 3.02Å; E256-M259 WeakPolarHBondContact O-CB 3.48Å; E256-M259 PolarHBondContact O-N 3.43Å; E256-M259 VanDerWaalsContact O-N 3.07Å; E256-L260 PolarHBondContact O-N 2.92Å
257E67.5Low58.4Low153 Ų153107.3 Ų107.372%0.71567%0.667SS**Hα-helixtrans-60-41.7178.3-164.292.2-152.900111.3M259 L260 Q261E257-M259 VanDerWaalsContact C-N 3.34Å; E257-M259 PolarHBondContact O-N 3.24Å; E257-L260 PolarHBondContact O-N 2.83Å; E257-Q261 WeakPolarHBondContact O-CB 3.2Å; E257-Q261 PolarHBondContact O-N 2.96Å
258A70.9Confident59.6Low70 Ų70110 Ų11058%0.57967%0.67SS**Hα-helixtrans-69.2-31.2176.900000112.6E256 Q262E256-A258 VanDerWaalsContact C-N 3.3Å; E256-A258 PolarHBondContact O-N 3.02Å; A258-Q262 WeakPolarHBondContact O-CB 3.28Å; A258-Q262 PolarHBondContact O-N 3.34Å
259M71.3Confident60.2Low124 Ų124110.4 Ų110.461%0.61167%0.667SS**Hα-helixtrans-73.5-41.6175-112.4-178.5-75.600112S255 E256 E257 Q262 A263S255-M259 WeakPolarHBondContact O-CE 3.48Å; S255-M259 PolarHBondContact O-N 3.02Å; E256-M259 WeakPolarHBondContact O-CB 3.48Å; E256-M259 PolarHBondContact O-N 3.43Å; E256-M259 VanDerWaalsContact O-N 3.07Å; E257-M259 VanDerWaalsContact C-N 3.34Å; E257-M259 PolarHBondContact O-N 3.24Å; M259-Q262 PolarHBondContact O-N 2.81Å; M259-A263 PolarHBondContact O-N 2.88Å
260L75.4Confident60.6Low119 Ų119112.6 Ų112.662%0.62367%0.669SS**Hα-helixtrans-63.5-43.6176-89158.5000111.6E256 E257 Q262 A263 L264E256-L260 PolarHBondContact O-N 2.92Å; E257-L260 PolarHBondContact O-N 2.83Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.13Å; L260-A263 PolarHBondContact O-N 3.5Å; L260-L264 PolarHBondContact O-N 2.8Å
261Q77.8Confident60.9Low134 Ų134114.8 Ų114.863%0.62667%0.666SS**Hα-helixtrans-62.1-39.1176.2-153.691.820.900112E257 A265E257-Q261 WeakPolarHBondContact O-CB 3.2Å; E257-Q261 PolarHBondContact O-N 2.96Å; Q261-A265 WeakPolarHBondContact O-CB 3.28Å; Q261-A265 PolarHBondContact O-N 3.37Å
262Q77Confident61Low134 Ų134118.1 Ų118.163%0.62667%0.667SS**Hα-helixtrans-69.8-37.5177.5-176.1172.7-23.500112.3A258 M259 L260 A265 M266A258-Q262 WeakPolarHBondContact O-CB 3.28Å; A258-Q262 PolarHBondContact O-N 3.34Å; M259-Q262 PolarHBondContact O-N 2.81Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.13Å; Q262-A265 PolarHBondContact O-N 3.02Å; Q262-M266 PolarHBondContact O-N 3.41Å
263A73.7Confident60.8Low55 Ų55120 Ų12046%0.45567%0.674SS.*Hα-helixtrans-66.3-36.6176.100000112.6M259 L260 S267M259-A263 PolarHBondContact O-N 2.88Å; L260-A263 PolarHBondContact O-N 3.5Å; A263-S267 PolarHBondContact O-N 2.92Å; A263-S267 VanDerWaalsContact O-N 3.14Å; A263-S267 PolarHBondContact O-OG 2.92Å
264L76.8Confident60.9Low111 Ų111124.1 Ų124.158%0.58167%0.67SS**Hα-helixtrans-70.9-40.2175.5-126.8155.4000111.7L260 S267 M268L260-L264 PolarHBondContact O-N 2.8Å; L264-S267 PolarHBondContact O-N 3.45Å; L264-M268 HydrophobicContact CD2-CE 4.47Å; L264-M268 PolarHBondContact O-N 2.8Å
265A71.7Confident60.3Low60 Ų60125.5 Ų125.550%0.49668%0.682SS.*Hα-helixtrans-65.4-36.9175.400000112.8Q261 Q262 Q269Q261-A265 WeakPolarHBondContact O-CB 3.28Å; Q261-A265 PolarHBondContact O-N 3.37Å; Q262-A265 PolarHBondContact O-N 3.02Å; A265-Q269 PolarHBondContact O-N 2.85Å
266M66.7Low59Low140 Ų140126.7 Ų126.769%0.6969%0.691SS**Hα-helixtrans-68.4-34.9173.3-102.1-178.1114.200112.6Q262 M268 Q269Q262-M266 PolarHBondContact O-N 3.41Å; M266-M268 VanDerWaalsContact C-N 3.35Å; M266-M268 PolarHBondContact O-N 3.42Å; M266-Q269 PolarHBondContact O-N 2.96Å
267S64.4Low57.3Low90 Ų90124.6 Ų124.663%0.62969%0.692SS**Hα-helixtrans-69.9-29.8179.4-66.30000113.1A263 L264A263-S267 PolarHBondContact O-N 2.92Å; A263-S267 VanDerWaalsContact O-N 3.14Å; A263-S267 PolarHBondContact O-OG 2.92Å; L264-S267 PolarHBondContact O-N 3.45Å
268M61.8Low55.9Low156 Ų156125.3 Ų125.377%0.76870%0.699SS**Hα-helixtrans-80.3-16.7175.7-70.2-160.3163.200113.9L264 M266L264-M268 HydrophobicContact CD2-CE 4.47Å; L264-M268 PolarHBondContact O-N 2.8Å; M266-M268 VanDerWaalsContact C-N 3.35Å; M266-M268 PolarHBondContact O-N 3.42Å
269Q56.6Low54.4Low172 Ų172126.5 Ų126.580%0.80470%0.702SS**SBendtrans-91.6-6.2-179.1-158.9110.521.900113.5A265 M266A265-Q269 PolarHBondContact O-N 2.85Å; M266-Q269 PolarHBondContact O-N 2.96Å
270M49.1Very low52.9Low164 Ų164128.2 Ų128.281%0.80871%0.71SS**  trans-95.92.5-174.3-149.174.4-174.200114.6N272M270-N272 PolarHBondContact O-N 3.06Å; M270-N272 VanDerWaalsContact O-N 3.09Å
271N41.9Very low51.7Low153 Ų153129.6 Ų129.682%0.81872%0.718SS**SBendtrans-83.225.5-175.2-153.625.5000114.8
272N37Very low50.7Low145 Ų145128.1 Ų128.178%0.77571%0.713SS**SBendtrans-155.792.3179.8-120.93.7000107.9M270M270-N272 PolarHBondContact O-N 3.06Å; M270-N272 VanDerWaalsContact O-N 3.09Å
273T35.7Very low49.3Very low145 Ų145127.9 Ų127.989%0.8972%0.716SS**  trans170.7135.8144.3-580000108.9
274E35Very low48.8Very low175 Ų175129.8 Ų129.882%0.81872%0.718SS**  trans-74.2149.4-163-58.8165.1142.800115.4
275S31.9Very low48.3Very low115 Ų115129 Ų12980%0.80473%0.727SS**  trans23.8127.214560.50000120.7
276S32.3Very low48.1Very low107 Ų107130.5 Ų130.575%0.74874%0.74SS**  178.3130.4110.3-168.20000110.4
277S29.7Very low48Very low95 Ų95127 Ų12766%0.66472%0.723SS**  trans31.2131.5147.6630000119.4
278L36.6Very low48.9Very low167 Ų167125.8 Ų125.887%0.87472%0.715SS**  trans-179.9161.8134.1-95.4179.1000110.1
279P40.6Very low49.7Very low96 Ų96125.6 Ų125.662%0.62371%0.712SS**  trans-119.1173.3-133.723.8-0.1000114.5
280M40Very low50.8Low159 Ų159124.2 Ų124.278%0.78371%0.705SS**  trans44.3122.4148.6-72-162.4-86.700120.5
281D48.9Very low52.3Low149 Ų149120 Ų12080%0.79769%0.686SS**  trans59.881.9144.6-49.8-23.8000117.3
282I57.5Low54.3Low102 Ų102116.6 Ų116.652%0.52367%0.665SS.*  trans-89.1113.4166.4-63.5162.9000108.4L284 M287 Y295I282-L284 PolarHBondContact O-N 3.29Å; I282-M287 HydrophobicContact CG2-SD 4.04Å; I282-Y295 HydrophobicContact CD1-CE2 4.07Å
283D48.4Very low56.4Low129 Ų129113.5 Ų113.569%0.6965%0.648SS**  trans-75.198.6179.2-157.5-0.4000110.3A285 A286D283-A285 PolarHBondContact O-N 3.11Å; D283-A286 PolarHBondContact O-N 3.37Å
284L61.7Low58.7Low96 Ų96109.4 Ų109.450%0.50363%0.629SS.*G310 helixtrans-54.6-22-175.2-101.569.7000114.1I282 A286 Q292 Y295I282-L284 PolarHBondContact O-N 3.29Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-A286 PolarHBondContact O-N 2.8Å; L284-Q292 PolarHBondContact O-NE2 3.27Å; L284-Y295 HydrophobicContact CD1-CE1 4.43Å
285A66.7Low61Low93 Ų93106 Ų10677%0.76961%0.609SS**G310 helixtrans-75.8-13.6-176.300000114.3D283D283-A285 PolarHBondContact O-N 3.11Å
286A67.8Low63.5Low92 Ų92102.9 Ų102.976%0.7659%0.591SS**G310 helixtrans-104.5-3.2-176.900000114.3D283 L284D283-A286 PolarHBondContact O-N 3.37Å; L284-A286 VanDerWaalsContact C-N 3.3Å; L284-A286 PolarHBondContact O-N 2.8Å
287M64.3Low65.9Low67 Ų67103.8 Ų103.833%0.3359%0.586SS.*SBendtrans-92.5145.7179.3-101.7171125.700111.7I282 D291 Q292I282-M287 HydrophobicContact CG2-SD 4.04Å; M287-D291 HydrophobicContact CB-CB 3.88Å; M287-D291 HydrophobicContact CE-CB 3.47Å; M287-D291 VanDerWaalsContact CE-CB 3.47Å; M287-D291 HydrophobicContact CG-CB 3.7Å; M287-D291 HydrophobicContact SD-CB 4.11Å; M287-Q292 HydrophobicContact CB-CG 4.02Å; M287-Q292 PolarHBondContact O-NE2 3.46Å
288S82.5Confident68.5Low65 Ų65107.9 Ų107.946%0.45559%0.587SS.*  trans-64.7157.4171.8780000110.9E290 D291 Q292S288-E290 PolarHBondContact O-N 3.39Å; S288-D291 VanDerWaalsContact O-CB 3.31Å; S288-D291 WeakPolarHBondContact O-CB 3.31Å; S288-D291 PolarHBondContact O-N 2.83Å; S288-D291 PolarHBondContact OG-OD2 3.08Å; S288-Q292 WeakPolarHBondContact O-CG 3.45Å; S288-Q292 PolarHBondContact O-N 3.46Å
289E79.2Confident70.5Confident152 Ų152105 Ų10571%0.7157%0.57SS**Hα-helixtrans-56.1-39.1-177-174.6175.7176.900112.4D291 Q292 I293E289-D291 VanDerWaalsContact C-N 3.33Å; E289-D291 PolarHBondContact O-N 3.41Å; E289-Q292 PolarHBondContact O-N 3.2Å; E289-I293 HydrophobicContact CG-CD1 4.03Å; E289-I293 WeakPolarHBondContact O-CD1 3.05Å; E289-I293 VanDerWaalsContact O-CG1 3.23Å; E289-I293 WeakPolarHBondContact O-CG1 3.42Å; E289-I293 PolarHBondContact O-N 3.14Å
290E79.6Confident72.5Confident142 Ų142103.8 Ų103.866%0.66456%0.564SS**Hα-helixtrans-62.5-40.7176.4-163.765.3-154.600112.1S288 I293 A294S288-E290 PolarHBondContact O-N 3.39Å; E290-I293 PolarHBondContact O-N 3.28Å; E290-A294 WeakPolarHBondContact O-CB 3.16Å; E290-A294 PolarHBondContact O-N 3.24Å
291D80.3Confident74.3Confident75 Ų75102.9 Ų102.940%0.40156%0.562SS.*Hα-helixtrans-68.3-34.9177.5-80.1-37000112.1M287 S288 E289 Y295M287-D291 HydrophobicContact CB-CB 3.88Å; M287-D291 HydrophobicContact CE-CB 3.47Å; M287-D291 VanDerWaalsContact CE-CB 3.47Å; M287-D291 HydrophobicContact CG-CB 3.7Å; M287-D291 HydrophobicContact SD-CB 4.11Å; S288-D291 VanDerWaalsContact O-CB 3.31Å; S288-D291 WeakPolarHBondContact O-CB 3.31Å; S288-D291 PolarHBondContact O-N 2.83Å; S288-D291 PolarHBondContact OG-OD2 3.08Å; E289-D291 VanDerWaalsContact C-N 3.33Å; E289-D291 PolarHBondContact O-N 3.41Å; D291-Y295 PolarHBondContact O-N 3.35Å; D291-Y295 VanDerWaalsContact O-N 3.15Å
292Q85.6Confident75.5Confident82 Ų82102.3 Ų102.338%0.38355%0.554SS.*Hα-helixtrans-69.3-41.5174-66.3175.627.800111.5L284 M287 S288 E289 Y295 A296L284-Q292 PolarHBondContact O-NE2 3.27Å; M287-Q292 HydrophobicContact CB-CG 4.02Å; M287-Q292 PolarHBondContact O-NE2 3.46Å; S288-Q292 WeakPolarHBondContact O-CG 3.45Å; S288-Q292 PolarHBondContact O-N 3.46Å; E289-Q292 PolarHBondContact O-N 3.2Å; Q292-Y295 PolarHBondContact O-N 3.19Å; Q292-A296 WeakPolarHBondContact O-CB 3.29Å; Q292-A296 PolarHBondContact O-N 3.15Å
293I79.8Confident76Confident80 Ų80102.8 Ų102.841%0.4155%0.554SS.*Hα-helixtrans-64.3-43.4177.6-66.7162.1000110.3E289 E290 Y295 A296 L297E289-I293 HydrophobicContact CG-CD1 4.03Å; E289-I293 WeakPolarHBondContact O-CD1 3.05Å; E289-I293 VanDerWaalsContact O-CG1 3.23Å; E289-I293 WeakPolarHBondContact O-CG1 3.42Å; E289-I293 PolarHBondContact O-N 3.14Å; E290-I293 PolarHBondContact O-N 3.28Å; I293-Y295 VanDerWaalsContact C-N 3.35Å; I293-Y295 PolarHBondContact O-N 3.13Å; I293-A296 PolarHBondContact O-N 3.24Å; I293-L297 WeakPolarHBondContact O-CB 3.05Å; I293-L297 PolarHBondContact O-N 2.72Å
294A83.7Confident76.3Confident60 Ų60104.6 Ų104.650%0.49656%0.561SS.*Hα-helixtrans-62.1-40.2176.300000112.6E290 R298E290-A294 WeakPolarHBondContact O-CB 3.16Å; E290-A294 PolarHBondContact O-N 3.24Å; A294-R298 WeakPolarHBondContact O-CB 3.15Å; A294-R298 PolarHBondContact O-N 3.37Å; A294-R298 VanDerWaalsContact O-N 3.13Å
295Y83.5Confident76.1Confident103 Ų103103 Ų10340%0.40457%0.568SS.*Hα-helixtrans-65.5-43.2175.2-174.4-97.1000112I282 L284 D291 Q292 I293 R298 M299I282-Y295 HydrophobicContact CD1-CE2 4.07Å; L284-Y295 HydrophobicContact CD1-CE1 4.43Å; D291-Y295 PolarHBondContact O-N 3.35Å; D291-Y295 VanDerWaalsContact O-N 3.15Å; Q292-Y295 PolarHBondContact O-N 3.19Å; I293-Y295 VanDerWaalsContact C-N 3.35Å; I293-Y295 PolarHBondContact O-N 3.13Å; Y295-R298 PolarHBondContact O-N 3.35Å; Y295-M299 PolarHBondContact O-N 3.21Å
296A84.4Confident75.5Confident50 Ų50106.6 Ų106.641%0.41357%0.568SS.*Hα-helixtrans-66.4-39178.200000112.9Q292 I293 R298 M299 S300Q292-A296 WeakPolarHBondContact O-CB 3.29Å; Q292-A296 PolarHBondContact O-N 3.15Å; I293-A296 PolarHBondContact O-N 3.24Å; A296-R298 VanDerWaalsContact C-N 3.34Å; A296-M299 PolarHBondContact O-N 3.19Å; A296-S300 WeakPolarHBondContact O-CB 2.98Å; A296-S300 PolarHBondContact O-N 2.98Å; A296-S300 PolarHBondContact O-OG 3.3Å
297L83.6Confident74.4Confident125 Ų125110.3 Ų110.365%0.65457%0.57SS**Hα-helixtrans-63.9-42175.1-134.699.1000111I293 S300 L301I293-L297 WeakPolarHBondContact O-CB 3.05Å; I293-L297 PolarHBondContact O-N 2.72Å; L297-S300 PolarHBondContact O-N 3.01Å; L297-L301 WeakPolarHBondContact O-CB 3.45Å; L297-L301 PolarHBondContact O-N 3.12Å
298R83.5Confident73.2Confident182 Ų182113 Ų11369%0.68759%0.591SS**Hα-helixtrans-63.9-41.2176.9-173.5177.8-177.6165.12.1112.2A294 Y295 A296 Q302A294-R298 WeakPolarHBondContact O-CB 3.15Å; A294-R298 PolarHBondContact O-N 3.37Å; A294-R298 VanDerWaalsContact O-N 3.13Å; Y295-R298 PolarHBondContact O-N 3.35Å; A296-R298 VanDerWaalsContact C-N 3.34Å; R298-Q302 PolarHBondContact O-N 2.9Å
299M80Confident70.9Confident105 Ų105115.8 Ų115.852%0.51761%0.605SS.*Hα-helixtrans-65.1-43.6175.7-173.3-180172.500111.1Y295 A296 L301 Q302 Q303Y295-M299 PolarHBondContact O-N 3.21Å; A296-M299 PolarHBondContact O-N 3.19Å; M299-L301 PolarHBondContact O-N 3.1Å; M299-Q302 PolarHBondContact O-N 3.42Å; M299-Q303 WeakPolarHBondContact O-CB 3.32Å; M299-Q303 PolarHBondContact O-N 3.34Å
300S81Confident69Low71 Ų71117.2 Ų117.250%0.49761%0.612SS.*Hα-helixtrans-65.5-38179.3-58.60000112.1A296 L297 Q303 M304A296-S300 WeakPolarHBondContact O-CB 2.98Å; A296-S300 PolarHBondContact O-N 2.98Å; A296-S300 PolarHBondContact O-OG 3.3Å; L297-S300 PolarHBondContact O-N 3.01Å; S300-Q303 PolarHBondContact O-N 2.84Å; S300-M304 WeakPolarHBondContact O-CB 3.45Å; S300-M304 PolarHBondContact O-N 3.48Å
301L78Confident66.8Low140 Ų140116 Ų11673%0.73362%0.616SS**Hα-helixtrans-68.4-34.4178.2-15879.1000112.5L297 M299L297-L301 WeakPolarHBondContact O-CB 3.45Å; L297-L301 PolarHBondContact O-N 3.12Å; M299-L301 PolarHBondContact O-N 3.1Å
302Q74.2Confident64.7Low137 Ų137118.9 Ų118.964%0.6464%0.637SS**Hα-helixtrans-71.2-37.5172.5-90.7178.8-32.400112.1R298 M299 M304 G305R298-Q302 PolarHBondContact O-N 2.9Å; M299-Q302 PolarHBondContact O-N 3.42Å; Q302-M304 VanDerWaalsContact C-N 3.35Å; Q302-G305 PolarHBondContact O-N 3.19Å
303Q68.2Low62Low113 Ų113121 Ų12153%0.52866%0.655SS.*Hα-helixtrans-72.2-30-178.7-146.5164.37.200112.5M299 S300 G305M299-Q303 WeakPolarHBondContact O-CB 3.32Å; M299-Q303 PolarHBondContact O-N 3.34Å; S300-Q303 PolarHBondContact O-N 2.84Å; Q303-G305 PolarHBondContact O-N 3.23Å
304M55.5Low60Low166 Ų166124 Ų12482%0.81868%0.677SS**THydrogen-bonded Turntrans-73.9-13.2176.2-139.3167.8-170.600113.6S300 Q302S300-M304 WeakPolarHBondContact O-CB 3.45Å; S300-M304 PolarHBondContact O-N 3.48Å; Q302-M304 VanDerWaalsContact C-N 3.35Å
305G56.6Low57.5Low63 Ų63126.8 Ų126.865%0.64969%0.688SS**THydrogen-bonded Turntrans-91.2-12.4179.700000115.6Q302 Q303Q302-G305 PolarHBondContact O-N 3.19Å; Q303-G305 PolarHBondContact O-N 3.23Å
306E53.9Low55.5Low168 Ų168128.8 Ų128.879%0.78571%0.705SS**THydrogen-bonded Turntrans-111.9-9.5-170.6-70.6-174.2159.600115.1T308E306-T308 PolarHBondContact O-N 3.37Å
307E46Very low53.4Low170 Ų170134 Ų13479%0.79472%0.721SS**SBendtrans-87.49.3-175.9-72-166160.400116
308T37.7Very low51.4Low125 Ų125133.7 Ų133.777%0.76773%0.729SS**  trans-113.651.3-177-39.80000113.5E306E306-T308 PolarHBondContact O-N 3.37Å
309T35.1Very low49.2Very low122 Ų122131.8 Ų131.875%0.74873%0.733SS**  trans-155.4121.8163.340.50000113.4
310Q38.2Very low47.4Very low183 Ų183135.1 Ų135.186%0.85574%0.744SS**  trans98.7116.4153.4-66.117814.400120.4
311P34.3Very low45.5Very low116 Ų116136.8 Ų136.875%0.75375%0.752SS**  trans-96.8147.216336.5-27.8000111.4
312T35.1Very low43.7Very low136 Ų136137.8 Ų137.883%0.83476%0.756SS**  trans-173.6119.1146.811.50000113.3
313T29.8Very low42.2Very low126 Ų126137.1 Ų137.177%0.77376%0.761SS**  trans-8.8134.2148.938.30000119.8
314T37Very low40.9Very low142 Ų142140.8 Ų140.887%0.87178%0.778SS**  -157.6143.1129.1-38.80000111.4
315T31.2Very low40.3Very low119 Ų119138.3 Ų138.373%0.7377%0.774SS**  trans-78.8178.4-167.329.50000117.3
316L41.7Very low39.6Very low146 Ų146141.2 Ų141.276%0.76479%0.785SS**  trans105.1133.8160.6-51.5172.8000114
317E40.4Very low38.8Very low160 Ų160136.7 Ų136.775%0.74878%0.783SS**  cis-173.8149.53.2-114.8173.8176.600109.6
318S41.6Very low38.7Very low117 Ų117135.8 Ų135.882%0.81879%0.789SS**  trans62.5135.7154.961.20000119.7
319D37.3Very low39.1Very low143 Ų143133.4 Ų133.477%0.76578%0.782SS**  cis-164.3153.147-162.710.9000113.1
320K43.4Very low39.6Very low174 Ų174135.9 Ų135.976%0.75779%0.787SS**  trans-8.3156.6163.8-80.8176.2155.1172.50120.3
321T39.3Very low40Very low106 Ų106133.3 Ų133.365%0.6578%0.779SS**  cis176.1135.619.522.70000105.4
322I42.1Very low40.5Very low162 Ų162134.6 Ų134.683%0.83178%0.778SS**  -178.9140.580.4-97129.8000107.2
323V40.8Very low41Very low122 Ų122134.1 Ų134.174%0.73977%0.771SS**  trans-105.6142.9-178.6167.70000108.3
324E41.5Very low41.8Very low191 Ų191135.7 Ų135.789%0.89377%0.769SS**  -178.4130.6120.5-98.6-169.4-178.300114.1
325P43.3Very low42.1Very low113 Ų113135.1 Ų135.173%0.73477%0.766SS**  trans-113.7156.3171.339.3-28.3000113.3
326S40.9Very low42.6Very low125 Ų125134.9 Ų134.987%0.87477%0.766SS**  trans-178.9139.3155.4480000107
327G37.8Very low42.5Very low72 Ų72134.8 Ų134.874%0.74277%0.772SS**  cis11384.72500000108.7
328V44.2Very low42.5Very low151 Ų151136.4 Ų136.492%0.91578%0.777SS**  trans-147127159.6-167.60000110
329A45.1Very low42.3Very low76 Ų76136.3 Ų136.363%0.62877%0.771SS**  trans-106.917617800000110.8
330M46.5Very low42.3Very low174 Ų174136.1 Ų136.186%0.85778%0.775SS**  trans79.4142.4163.5-48.4-171.4-66.300114.7
331D46.2Very low42.1Very low129 Ų129135.1 Ų135.169%0.6977%0.773SS**  cis-160139.118.1-105.1-40.6000107.1
332I45.5Very low42.3Very low142 Ų142137.9 Ų137.973%0.72878%0.784SS**  50.4109.395-50.1177.4000116.4
333D45.6Very low42.1Very low126 Ų126135.2 Ų135.267%0.67478%0.777SS**  170.4118.9124.5-113.4-3.4000112.4
334Q45.5Very low42.1Very low159 Ų159136.7 Ų136.774%0.74378%0.78SS**  72.3101.3101.4-75.8-173.263.900118.7
335T43.3Very low41.9Very low131 Ų131136.1 Ų136.180%0.80478%0.783SS**  33.2156.2128.246.60000125.1
336P43.1Very low41.7Very low114 Ų114135.4 Ų135.474%0.7478%0.781SS**  trans-106.5166.4-147.541.2-33000114.9
337T38.6Very low41.6Very low143 Ų143134.9 Ų134.988%0.87778%0.777SS**  trans-157.7146.9158.638.30000114.6
338K40.2Very low41.7Very low195 Ų195137.2 Ų137.285%0.84878%0.782SS**  trans10684.5139.6-123.8176.1-176.6-176.90120.3
339V38.6Very low41.1Very low115 Ų115136 Ų13670%0.69778%0.78SS**  4.8127.8123.2-172.50000116.6E341V339-E341 HydrophobicContact CG1-CG 4.22Å
340T37.2Very low40.7Very low138 Ų138135.8 Ų135.885%0.84779%0.785SS**  trans-142.8111.7143.5-64.10000108.6
341E39.2Very low39.9Very low154 Ų154133.5 Ų133.572%0.7278%0.781SS**  trans-71.3147.2168.7-65.3171.7139.800110.6V339V339-E341 HydrophobicContact CG1-CG 4.22Å
342N43Very low39.6Very low164 Ų164135.4 Ų135.488%0.87779%0.79SS**  trans-150.9104.5149.6-94.8-22.3000108.4
343P38.8Very low39Very low106 Ų106133 Ų13369%0.68879%0.791SS**  trans-99.7130.3167.433.9-23.8000109.9
344N39.5Very low38.1Very low152 Ų152132.1 Ų132.181%0.81380%0.802SS**  trans178.1108.4153.2-103.2-14.4000110.5
345L38.7Very low37.7Very low179 Ų179128.6 Ų128.694%0.93780%0.8SS**  -170.9112.5116-119.482.3000108.9
346S38.1Very low37.2Very low99 Ų99129.2 Ų129.269%0.69280%0.804SS**  trans-93.1161.8174.148.90000111
347S39.2Very low37Very low114 Ų114129.4 Ų129.480%0.79781%0.808SS**  trans78.4107.4154.272.10000119.1
348S39.4Very low37Very low121 Ų121127.2 Ų127.285%0.84680%0.804SS**  -168.5116108.957.30000110.8
349S32.8Very low37.1Very low125 Ų125123.8 Ų123.887%0.87480%0.799SS**  trans-59.7140.6167.6-175.60000111.1
350G35.1Very low37.1Very low71 Ų71122.9 Ų122.973%0.73280%0.796SS**  trans-168.276.5178.800000111.1
351T30.6Very low37.1Very low127 Ų127121.3 Ų121.378%0.77979%0.786SS**  trans-46132.616446.30000111.9
352L38.7Very low37.6Very low169 Ų169119.5 Ų119.589%0.88579%0.79SS**  trans-177.798.5148.4-92.9160.4000106
353A33.8Very low37.9Very low90 Ų90114.9 Ų114.974%0.74478%0.775SS**  80.6110.998.100000112.4
354A27.6Very low38.4Very low108 Ų108114 Ų11489%0.89377%0.765SS**  trans-56.3128.9178.600000112.3
355A35.3Very low39.1Very low86 Ų86112.2 Ų112.271%0.71176%0.755SS**  trans-136.9101.716000000107.9S357A355-S357 PolarHBondContact O-N 3.26Å
356T33.9Very low40.1Very low143 Ų143109.8 Ų109.888%0.87774%0.742SS**  trans-51.5115171.543.80000110.4
357S38.8Very low41.1Very low119 Ų119107.8 Ų107.883%0.83273%0.726SS**  trans-9397.5174.1-51.60000108.1A355A355-S357 PolarHBondContact O-N 3.26Å
358A39.5Very low42.2Very low97 Ų97108 Ų10880%0.80272%0.716SS**  trans-74130.3172.200000109.5
359V41.5Very low43.4Very low123 Ų123106.3 Ų106.375%0.74569%0.692SS**  trans-69.8132.3178.8179.70000109.2T361V359-T361 PolarHBondContact O-N 3.3Å
360P38.5Very low45.5Very low96 Ų96104.8 Ų104.862%0.62367%0.673SS**  trans-73.5112.7177.629.4-30.4000108.9D364P360-D364 WeakPolarHBondContact CB-OD2 3.48Å
361T37.6Very low47.4Very low105 Ų105103.3 Ų103.364%0.64466%0.655SS**  trans-77.8155171.247.60000109.5V359 A363 D364V359-T361 PolarHBondContact O-N 3.3Å; T361-A363 PolarHBondContact O-N 3.4Å; T361-D364 PolarHBondContact O-N 2.94Å
362S49.9Very low49.6Very low115 Ų115104.6 Ų104.680%0.80465%0.652SS**THydrogen-bonded Turntrans-57.48.2-169.949.90000117.6
363A48.5Very low51.4Low68 Ų68101 Ų10156%0.56263%0.629SS**THydrogen-bonded Turntrans-82.6-17.4170.300000113.1T361 L365 D366T361-A363 PolarHBondContact O-N 3.4Å; A363-L365 PolarHBondContact O-N 3.43Å; A363-D366 PolarHBondContact O-N 2.98Å
364D49.8Very low53.3Low88 Ų8898.5 Ų98.547%0.47160%0.603SS.*Hα-helixtrans-70.7-13.5-178.2-77.1-23.9000114.4P360 T361P360-D364 WeakPolarHBondContact CB-OD2 3.48Å; T361-D364 PolarHBondContact O-N 2.94Å
365L54Low55.7Low114 Ų11497.4 Ų97.460%0.59758%0.579SS**Hα-helixtrans-76-27.7177.4-76.7166.5000112.9A363 Y369A363-L365 PolarHBondContact O-N 3.43Å; L365-Y369 VanDerWaalsContact O-CD2 3.3Å; L365-Y369 WeakPolarHBondContact O-CD2 3.33Å; L365-Y369 WeakPolarHBondContact O-CE2 3.17Å
366D58.8Low57.9Low127 Ų12796 Ų9668%0.67957%0.565SS**Hα-helixtrans-76.8-25.7175.8-99.5-8.8000112.1A363 M368 Y369A363-D366 PolarHBondContact O-N 2.98Å; D366-M368 PolarHBondContact O-N 3.24Å; D366-Y369 PolarHBondContact O-N 3.4Å
367V60.7Low60Low58 Ų5891.9 Ų91.935%0.35254%0.539SS..Hα-helixtrans-66.2-24.1178.3-172.80000111.9Y369 F373V367-Y369 PolarHBondContact O-N 3.3Å; V367-F373 HydrophobicContact CG1-CD1 4.15Å; V367-F373 HydrophobicContact CG1-CD2 4.22Å; V367-F373 HydrophobicContact CG1-CE1 4.29Å; V367-F373 HydrophobicContact CG1-CE2 4.36Å; V367-F373 HydrophobicContact CG1-CG 4.11Å; V367-F373 HydrophobicContact CG1-CZ 4.4Å; V367-F373 WeakPolarHBondContact O-CD1 3.15Å
368M60.4Low61.5Low118 Ų11888 Ų8858%0.58151%0.509SS*.THydrogen-bonded Turntrans-70.7-16.4177.6-62.6-168.697.700113.8D366D366-M368 PolarHBondContact O-N 3.24Å
369Y66.4Low63.4Low86 Ų8689.6 Ų89.634%0.33750%0.5SS..THydrogen-bonded Turntrans-102.6-3.1-176.2-57.6-69.6000113.7L365 D366 V367 A371 Q402L365-Y369 VanDerWaalsContact O-CD2 3.3Å; L365-Y369 WeakPolarHBondContact O-CD2 3.33Å; L365-Y369 WeakPolarHBondContact O-CE2 3.17Å; D366-Y369 PolarHBondContact O-N 3.4Å; V367-Y369 PolarHBondContact O-N 3.3Å; Y369-A371 PolarHBondContact O-N 2.89Å; Y369-Q402 VanDerWaalsContact CZ-NE2 3.27Å; Y369-Q402 PolarHBondContact OH-NE2 3.45Å
370D76.8Confident65Low92 Ų9288 Ų8849%0.49249%0.494SS..  trans-77.5121.3-177.2-148.4-6.1000110.6E372 F373 L374D370-E372 PolarHBondContact O-N 3.36Å; D370-F373 HydrophobicContact CB-CB 4.03Å; D370-F373 PolarHBondContact O-N 3Å; D370-L374 PolarHBondContact O-N 3.08Å; D370-L374 VanDerWaalsContact O-N 3.1Å
371A73.9Confident66.7Low41 Ų4187.6 Ų87.634%0.33949%0.486SS..Hα-helixtrans-64.3-32.7-173.300000111.8Y369 E375Y369-A371 PolarHBondContact O-N 2.89Å; A371-E375 PolarHBondContact O-N 2.71Å; A371-E375 VanDerWaalsContact O-N 3.16Å
372E76.5Confident68.4Low154 Ų15488.9 Ų88.972%0.7250%0.496SS*.Hα-helixtrans-72.9-36.2177.8-59.7-169.7166.600111.9D370 E375 S376D370-E372 PolarHBondContact O-N 3.36Å; E372-E375 PolarHBondContact O-N 2.93Å; E372-S376 PolarHBondContact O-N 3.08Å
373F76.6Confident69.4Low93 Ų9387.3 Ų87.341%0.40850%0.498SS..Hα-helixtrans-67.3-45.9176.6-178.8-105.7000111.2V367 D370 E375 S376 V377V367-F373 HydrophobicContact CG1-CD1 4.15Å; V367-F373 HydrophobicContact CG1-CD2 4.22Å; V367-F373 HydrophobicContact CG1-CE1 4.29Å; V367-F373 HydrophobicContact CG1-CE2 4.36Å; V367-F373 HydrophobicContact CG1-CG 4.11Å; V367-F373 HydrophobicContact CG1-CZ 4.4Å; V367-F373 WeakPolarHBondContact O-CD1 3.15Å; D370-F373 HydrophobicContact CB-CB 4.03Å; D370-F373 PolarHBondContact O-N 3Å; F373-E375 VanDerWaalsContact C-N 3.27Å; F373-E375 PolarHBondContact O-N 3.01Å; F373-S376 PolarHBondContact O-N 2.98Å; F373-S376 VanDerWaalsContact O-N 3.12Å; F373-S376 PolarHBondContact O-OG 3.46Å; F373-V377 HydrophobicContact CD1-CG2 4.22Å; F373-V377 HydrophobicContact CD2-CG2 4.47Å; F373-V377 HydrophobicContact CE1-CG2 3.79Å; F373-V377 HydrophobicContact CE2-CG2 4.07Å; F373-V377 HydrophobicContact CZ-CG2 3.71Å; F373-V377 WeakPolarHBondContact O-CG2 3.3Å; F373-V377 PolarHBondContact O-N 3.21Å
374L75Confident70.3Confident37 Ų3786.6 Ų86.619%0.19449%0.487CS..Hα-helixtrans-59.5-38.9175.2-70.6171.3000111.8D370 L378 L398D370-L374 PolarHBondContact O-N 3.08Å; D370-L374 VanDerWaalsContact O-N 3.1Å; L374-L378 WeakPolarHBondContact O-CB 3.47Å; L374-L378 WeakPolarHBondContact O-CD1 3.25Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 2.97Å; L374-L398 HydrophobicContact CD1-CD2 3.95Å
375E78Confident71.4Confident85 Ų8588.1 Ų88.140%0.39750%0.495SS..Hα-helixtrans-65-40175.3-168.1167.4-172.800111.9A371 E372 F373 L378 Q379A371-E375 PolarHBondContact O-N 2.71Å; A371-E375 VanDerWaalsContact O-N 3.16Å; E372-E375 PolarHBondContact O-N 2.93Å; F373-E375 VanDerWaalsContact C-N 3.27Å; F373-E375 PolarHBondContact O-N 3.01Å; E375-L378 PolarHBondContact O-N 3.3Å; E375-Q379 WeakPolarHBondContact O-CG 3.41Å; E375-Q379 PolarHBondContact O-N 3.49Å; E375-Q379 VanDerWaalsContact O-N 3.08Å
376S79.9Confident72Confident58 Ų5884.2 Ų84.241%0.40648%0.476SS..Hα-helixtrans-67.5-39.3177.777.90000113.5E372 F373 Q379 S380E372-S376 PolarHBondContact O-N 3.08Å; F373-S376 PolarHBondContact O-N 2.98Å; F373-S376 VanDerWaalsContact O-N 3.12Å; F373-S376 PolarHBondContact O-OG 3.46Å; S376-Q379 PolarHBondContact O-N 2.64Å; S376-S380 PolarHBondContact O-N 3.19Å
377V79.4Confident72.5Confident56 Ų5684.2 Ų84.234%0.33947%0.472SS..Hα-helixtrans-69.5-38.8177.5174.80000110.4F373 Q379 S380F373-V377 HydrophobicContact CD1-CG2 4.22Å; F373-V377 HydrophobicContact CD2-CG2 4.47Å; F373-V377 HydrophobicContact CE1-CG2 3.79Å; F373-V377 HydrophobicContact CE2-CG2 4.07Å; F373-V377 HydrophobicContact CZ-CG2 3.71Å; F373-V377 WeakPolarHBondContact O-CG2 3.3Å; F373-V377 PolarHBondContact O-N 3.21Å; V377-Q379 VanDerWaalsContact C-N 3.34Å; V377-Q379 PolarHBondContact O-N 3.36Å; V377-S380 PolarHBondContact O-N 2.89Å; V377-S380 VanDerWaalsContact O-N 3.15Å; V377-S380 PolarHBondContact O-OG 3.25Å
378L69.5Low73.4Confident37 Ų3785.2 Ų85.219%0.19448%0.475CS..Hα-helixtrans-68.7-30.7177.5-69.1168.3000112.7L374 E375 S380 L381 V384 T386 V391 I395L374-L378 WeakPolarHBondContact O-CB 3.47Å; L374-L378 WeakPolarHBondContact O-CD1 3.25Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 2.97Å; E375-L378 PolarHBondContact O-N 3.3Å; L378-S380 VanDerWaalsContact C-N 3.27Å; L378-S380 PolarHBondContact O-N 3.09Å; L378-L381 PolarHBondContact O-N 3.21Å; L378-V384 HydrophobicContact CD2-CG1 4.08Å; L378-T386 HydrophobicContact CB-CG2 4.08Å; L378-V391 HydrophobicContact CD1-CG1 3.79Å; L378-I395 HydrophobicContact CD1-CD1 3.66Å; L378-I395 HydrophobicContact CD1-CG1 4.13Å
379Q78.7Confident74.2Confident131 Ų13185.7 Ų85.761%0.61248%0.476SS*.Hα-helixtrans-69-24.5172-72.5177.213.900113.2E375 S376 V377 L381 T386E375-Q379 WeakPolarHBondContact O-CG 3.41Å; E375-Q379 PolarHBondContact O-N 3.49Å; E375-Q379 VanDerWaalsContact O-N 3.08Å; S376-Q379 PolarHBondContact O-N 2.64Å; V377-Q379 VanDerWaalsContact C-N 3.34Å; V377-Q379 PolarHBondContact O-N 3.36Å; Q379-L381 VanDerWaalsContact C-N 3.34Å; Q379-T386 HydrophobicContact CG-CG2 3.8Å
380S77Confident74.7Confident89 Ų8986.7 Ų86.762%0.62249%0.487SS*.THydrogen-bonded Turntrans-81.6-11-179.776.70000114.1S376 V377 L378S376-S380 PolarHBondContact O-N 3.19Å; V377-S380 PolarHBondContact O-N 2.89Å; V377-S380 VanDerWaalsContact O-N 3.15Å; V377-S380 PolarHBondContact O-OG 3.25Å; L378-S380 VanDerWaalsContact C-N 3.27Å; L378-S380 PolarHBondContact O-N 3.09Å
381L73Confident74.4Confident88 Ų8883.8 Ų83.846%0.46147%0.472SS..SBendtrans-96.3118.5-178.2-77.7159.5000111.1L378 Q379 G383 V384L378-L381 PolarHBondContact O-N 3.21Å; Q379-L381 VanDerWaalsContact C-N 3.34Å; L381-G383 PolarHBondContact O-N 2.72Å; L381-V384 HydrophobicContact CB-CG2 4.22Å
382P73.6Confident74.7Confident131 Ų13188.3 Ų88.385%0.85148%0.481SS*.THydrogen-bonded Turntrans-66.9123.5178.326.9-32.5000110.4
383G70.9Confident74.9Confident82 Ų8286.6 Ų86.685%0.84547%0.471SS*.THydrogen-bonded Turntrans101.55.5175.800000115.9L381L381-G383 PolarHBondContact O-N 2.72Å
384V68.3Low74.9Confident54 Ų5485 Ų8533%0.32748%0.475SS..  trans-105.8111.1172.7-177.20000110.2L378 L381 T386 V391L378-V384 HydrophobicContact CD2-CG1 4.08Å; L381-V384 HydrophobicContact CB-CG2 4.22Å; V384-T386 PolarHBondContact O-N 3.31Å; V384-V391 HydrophobicContact CG1-CG2 4.32Å
385D71.8Confident75Confident120 Ų12084.9 Ų84.964%0.64247%0.474SS*.  trans-77108.5173.3-75.4-33.1000110.5Q387 N388D385-Q387 PolarHBondContact O-N 3.2Å; D385-Q387 VanDerWaalsContact O-N 3.08Å; D385-N388 HydrophobicContact CB-CB 4.31Å; D385-N388 WeakPolarHBondContact O-CB 3.35Å; D385-N388 PolarHBondContact O-N 3.27Å; D385-N388 VanDerWaalsContact O-N 3.12Å
386T66Low75Confident31 Ų3185.9 Ų85.919%0.1948%0.482CS..THydrogen-bonded Turntrans-65-9.2177.255.90000114.2L378 Q379 V384L378-T386 HydrophobicContact CB-CG2 4.08Å; Q379-T386 HydrophobicContact CG-CG2 3.8Å; V384-T386 PolarHBondContact O-N 3.31Å
387Q69.8Low75.1Confident128 Ų12886.1 Ų86.160%0.59849%0.488SS*.THydrogen-bonded Turntrans-98-2.7177.6-59.2-59.7-32.700113.5D385D385-Q387 PolarHBondContact O-N 3.2Å; D385-Q387 VanDerWaalsContact O-N 3.08Å
388N79.4Confident74.9Confident79 Ų7987.1 Ų87.142%0.42249%0.491SS..  trans-72.6135.6-179.6-160.1-11.1000110.8D385 D390 V391 R392D385-N388 HydrophobicContact CB-CB 4.31Å; D385-N388 WeakPolarHBondContact O-CB 3.35Å; D385-N388 PolarHBondContact O-N 3.27Å; D385-N388 VanDerWaalsContact O-N 3.12Å; N388-D390 PolarHBondContact O-N 3.4Å; N388-D390 VanDerWaalsContact O-N 3.15Å; N388-V391 HydrophobicContact CB-CG2 4.27Å; N388-V391 PolarHBondContact O-N 3.18Å; N388-V391 VanDerWaalsContact O-N 3.13Å; N388-R392 PolarHBondContact O-N 3.13Å
389E77.8Confident75.4Confident127 Ų12787.7 Ų87.759%0.59350%0.496SS*.Hα-helixtrans-54.9-35.4-178-91.4-126.7144.400112.2K393E389-K393 WeakPolarHBondContact O-CB 3.02Å; E389-K393 VanDerWaalsContact O-CG 3.25Å; E389-K393 WeakPolarHBondContact O-CG 3.35Å; E389-K393 PolarHBondContact O-N 3.42Å; E389-K393 WeakPolarHBondContact OE2-CE 3.47Å; E389-K393 IonicContact OE2-NZ 2.79Å; E389-K393 PolarHBondContact OE2-NZ 2.88Å
390D76.2Confident75.1Confident108 Ų10887.6 Ų87.658%0.57849%0.494SS*.Hα-helixtrans-69.1-38.8-177.7-63.8-30.3000112.1N388 K393 A394N388-D390 PolarHBondContact O-N 3.4Å; N388-D390 VanDerWaalsContact O-N 3.15Å; D390-K393 PolarHBondContact O-N 3.15Å; D390-A394 WeakPolarHBondContact O-CB 3.13Å; D390-A394 PolarHBondContact O-N 3.21Å
391V72.4Confident74.3Confident30 Ų3086 Ų8618%0.18248%0.483CS..Hα-helixtrans-69.4-42.7177.9179.80000110.1L378 V384 N388 K393 A394 I395L378-V391 HydrophobicContact CD1-CG1 3.79Å; V384-V391 HydrophobicContact CG1-CG2 4.32Å; N388-V391 HydrophobicContact CB-CG2 4.27Å; N388-V391 PolarHBondContact O-N 3.18Å; N388-V391 VanDerWaalsContact O-N 3.13Å; V391-K393 PolarHBondContact O-N 3.46Å; V391-A394 PolarHBondContact O-N 3.31Å; V391-I395 HydrophobicContact CG1-CD1 4.1Å; V391-I395 WeakPolarHBondContact O-CG1 3.36Å; V391-I395 PolarHBondContact O-N 3.46Å
392R78.3Confident73.6Confident137 Ų13786.4 Ų86.452%0.51748%0.482SS..Hα-helixtrans-63.4-37.7173.7-85.4-174.5165176-1.5113.1N388 N396N388-R392 PolarHBondContact O-N 3.13Å; R392-N396 WeakPolarHBondContact O-CB 3.37Å; R392-N396 PolarHBondContact O-N 2.72Å; R392-N396 VanDerWaalsContact O-N 3.08Å; R392-N396 PolarHBondContact O-ND2 3.12Å
393K81.7Confident72.7Confident117 Ų11784 Ų8451%0.50947%0.468SS..Hα-helixtrans-65.7-40.3174.6-77.5169.7-170.5160.10111.2E389 D390 V391 A397E389-K393 WeakPolarHBondContact O-CB 3.02Å; E389-K393 VanDerWaalsContact O-CG 3.25Å; E389-K393 WeakPolarHBondContact O-CG 3.35Å; E389-K393 PolarHBondContact O-N 3.42Å; E389-K393 WeakPolarHBondContact OE2-CE 3.47Å; E389-K393 IonicContact OE2-NZ 2.79Å; E389-K393 PolarHBondContact OE2-NZ 2.88Å; D390-K393 PolarHBondContact O-N 3.15Å; V391-K393 PolarHBondContact O-N 3.46Å; K393-A397 VanDerWaalsContact O-CB 3.28Å; K393-A397 WeakPolarHBondContact O-CB 3.42Å; K393-A397 PolarHBondContact O-N 3.36Å
394A76.9Confident71.9Confident61 Ų6186.3 Ų86.350%0.50446%0.457SS..Hα-helixtrans-65.7-46.1178.300000112.7D390 V391 A397 L398D390-A394 WeakPolarHBondContact O-CB 3.13Å; D390-A394 PolarHBondContact O-N 3.21Å; V391-A394 PolarHBondContact O-N 3.31Å; A394-A397 PolarHBondContact O-N 2.97Å; A394-L398 PolarHBondContact O-N 3.04Å
395I76.3Confident70.9Confident34 Ų3494.3 Ų94.317%0.17448%0.481CS..Hα-helixtrans-60.1-49.3175.7-63.7166.4000109.9L378 V391 A397 L398 T399L378-I395 HydrophobicContact CD1-CD1 3.66Å; L378-I395 HydrophobicContact CD1-CG1 4.13Å; V391-I395 HydrophobicContact CG1-CD1 4.1Å; V391-I395 WeakPolarHBondContact O-CG1 3.36Å; V391-I395 PolarHBondContact O-N 3.46Å; I395-A397 VanDerWaalsContact C-N 3.32Å; I395-A397 PolarHBondContact O-N 3.12Å; I395-L398 PolarHBondContact O-N 3.08Å; I395-T399 PolarHBondContact O-N 3.39Å; I395-T399 PolarHBondContact O-OG1 3.1Å; I395-T399 VanDerWaalsContact O-OG1 3.08Å
396N79.3Confident69.5Low105 Ų10591.4 Ų91.456%0.56148%0.48SS*.Hα-helixtrans-62.4-36.8178.4-82-57.5000113.2R392 K400R392-N396 WeakPolarHBondContact O-CB 3.37Å; R392-N396 PolarHBondContact O-N 2.72Å; R392-N396 VanDerWaalsContact O-N 3.08Å; R392-N396 PolarHBondContact O-ND2 3.12Å; N396-K400 WeakPolarHBondContact O-CB 3.39Å; N396-K400 PolarHBondContact O-N 3.21Å
397A81.8Confident68.3Low63 Ų6393.3 Ų93.352%0.52149%0.494SS..Hα-helixtrans-66.2-41176.800000111.6K393 A394 I395 S401K393-A397 VanDerWaalsContact O-CB 3.28Å; K393-A397 WeakPolarHBondContact O-CB 3.42Å; K393-A397 PolarHBondContact O-N 3.36Å; A394-A397 PolarHBondContact O-N 2.97Å; I395-A397 VanDerWaalsContact C-N 3.32Å; I395-A397 PolarHBondContact O-N 3.12Å; A397-S401 VanDerWaalsContact O-CB 3.28Å; A397-S401 WeakPolarHBondContact O-CB 3.33Å; A397-S401 PolarHBondContact O-N 3.32Å; A397-S401 VanDerWaalsContact O-N 3.08Å
398L73.8Confident67Low78 Ų7896.3 Ų96.341%0.40851%0.505SS..Hα-helixtrans-67-49.6179.3-170.561.6000111L374 A394 I395 K400 S401L374-L398 HydrophobicContact CD1-CD2 3.95Å; A394-L398 PolarHBondContact O-N 3.04Å; I395-L398 PolarHBondContact O-N 3.08Å; L398-K400 PolarHBondContact O-N 3.16Å; L398-S401 PolarHBondContact O-N 3.28Å; L398-S401 PolarHBondContact O-OG 3.49Å
399T80.2Confident65.1Low48 Ų48101 Ų10129%0.29452%0.522SS..Hα-helixtrans-63.6-39.9178.4-51.60000112.3I395 S403I395-T399 PolarHBondContact O-N 3.39Å; I395-T399 PolarHBondContact O-OG1 3.1Å; I395-T399 VanDerWaalsContact O-OG1 3.08Å; T399-S403 PolarHBondContact O-OG 3.48Å
400K72Confident63.5Low130 Ų130101.1 Ų101.157%0.56553%0.527SS*.Hα-helixtrans-78.7-22.7-177-164.2170.8-173.5174.30114N396 L398 Q402 S403 Q404N396-K400 WeakPolarHBondContact O-CB 3.39Å; N396-K400 PolarHBondContact O-N 3.21Å; L398-K400 PolarHBondContact O-N 3.16Å; K400-Q402 PolarHBondContact O-N 2.67Å; K400-S403 PolarHBondContact O-N 3.15Å; K400-Q404 PolarHBondContact O-N 3.42Å
401S61.2Low62.1Low56 Ų56104.3 Ų104.339%0.39254%0.538SS..Hα-helixtrans-63.4-21.8-178.371.20000113.8A397 L398A397-S401 VanDerWaalsContact O-CB 3.28Å; A397-S401 WeakPolarHBondContact O-CB 3.33Å; A397-S401 PolarHBondContact O-N 3.32Å; A397-S401 VanDerWaalsContact O-N 3.08Å; L398-S401 PolarHBondContact O-N 3.28Å; L398-S401 PolarHBondContact O-OG 3.49Å
402Q57.9Low60.8Low96 Ų96112 Ų11245%0.44957%0.569SS.*Hα-helixtrans-92.9-34.3173.7-74.2-156.1-5.400113.7Y369 K400 Q404 R405Y369-Q402 VanDerWaalsContact CZ-NE2 3.27Å; Y369-Q402 PolarHBondContact OH-NE2 3.45Å; K400-Q402 PolarHBondContact O-N 2.67Å; Q402-Q404 PolarHBondContact O-N 3.08Å; Q402-R405 PolarHBondContact O-N 3.02Å; Q402-R405 VanDerWaalsContact O-N 3.1Å
403S55.6Low59.4Low80 Ų80113.3 Ų113.356%0.55958%0.581SS**Hα-helixtrans-63.8-26-179.4-290000113.3T399 K400 S407T399-S403 PolarHBondContact O-OG 3.48Å; K400-S403 PolarHBondContact O-N 3.15Å; S403-S407 PolarHBondContact O-OG 3.36Å
404Q52.5Low58Low130 Ų130114.3 Ų114.361%0.60759%0.592SS**THydrogen-bonded Turntrans-91-10.5177-71.6-165.9-26.900114.7K400 Q402K400-Q404 PolarHBondContact O-N 3.42Å; Q402-Q404 PolarHBondContact O-N 3.08Å
405R47.5Very low56.7Low222 Ų222119.8 Ų119.884%0.83861%0.607SS**THydrogen-bonded Turntrans-85.1-18.9174.5-76.4-176.9-179.3178.82.5112.8Q402Q402-R405 PolarHBondContact O-N 3.02Å; Q402-R405 VanDerWaalsContact O-N 3.1Å
406G42.4Very low55.7Low59 Ų59125.3 Ų125.361%0.60864%0.637SS**SBendtrans-85.9-20.7176.100000115.7
407S42.3Very low54.5Low72 Ų72129.2 Ų129.250%0.50365%0.649SS.*SBendtrans-102.70.5-169.339.30000115.3S403S403-S407 PolarHBondContact O-OG 3.36Å
408K41.6Very low53.2Low190 Ų190134.7 Ų134.783%0.82666%0.664SS**SBendtrans-99.810.4-177.6-110.7178.2-177.6174.20115
409K40Very low52Low178 Ų178138.7 Ų138.777%0.77469%0.686SS**SBendtrans-105.9-10.6-178.3-143179178.5-1710114.4
410D43.8Very low50.4Low130 Ų130145.4 Ų145.470%0.69574%0.735SS**SBendtrans-109-1.3-172.6-63.5-26.8000114.9
411E46.3Very low49.3Very low175 Ų175146.2 Ų146.282%0.81874%0.743SS**SBendtrans-101.511.2179.8-74.2-175.9161.700114.2
412K46Very low48.7Very low190 Ų190150.9 Ų150.983%0.82676%0.762SS**SBendtrans-115.66.4-177-141.7-179.2-178.5-179.10115.2
413E49.2Very low48.2Very low166 Ų166154 Ų15478%0.77678%0.779SS**SBendtrans-106.9-3.9178.7-71.8-169.1166.200114.4
414D50.5Low47.7Very low137 Ų137158.4 Ų158.473%0.73379%0.792SS**SBendtrans-102.7-6.1-175.1-79.7-31.7000116.1
415E51.1Low47.4Very low176 Ų176160.1 Ų160.182%0.82280%0.804SS**SBendtrans-91.1-13.7177.5-75-169.3153.200114.6K417E415-K417 PolarHBondContact O-N 3.23Å
416D54Low47.4Very low151 Ų151156 Ų15681%0.80780%0.802SS**THydrogen-bonded Turntrans-91.78.9-176.7-81.1-25.9000114.5
417K55.2Low47.8Very low187 Ų187162.9 Ų162.981%0.81382%0.815SS**THydrogen-bonded Turntrans-110.74.6178.2-87.1-177.7-179.3170.20115.8E415E415-K417 PolarHBondContact O-N 3.23Å
418Q53.3Low48.2Very low178 Ų178169.9 Ų169.983%0.83284%0.839SS**SBendtrans-109.79.3178.6-87.5-179.6-4.500115.1
419N49.7Very low48.8Very low161 Ų161168.3 Ų168.386%0.86184%0.84SS**  trans-133.331.3-177.3-129.544.9000115.1
420S46.3Very low49.6Very low190 Ų190167.4 Ų167.4100%1.32985%0.847SS**  trans-124.50166.5-80.50000112.1

Retrieved 420 of 420 residues in 105.6 ms (Link to these results)

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