A0A087X3V5_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB (A0A3B3UCI8), UniProt , Accession A0A087X3V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 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
1M42.3Very low64Low197 Ų197113.1 Ų113.197%0.9752%0.52SS*.  0103.60-73.4-178.3-17700107.4
2D44.9Very low64.4Low142 Ų142107.5 Ų107.576%0.75950%0.496SS*.  trans-92.6122.9176.6-78.314.2000109.2C4D2-C4 PolarHBondContact O-N 2.9Å
3R62.6Low64.5Low179 Ų179102.7 Ų102.768%0.67549%0.494SS*.  trans-59.3137.1172.3-65.7176.2176.3174.9-2.8108.4K5R3-K5 PolarHBondContact O-N 2.83Å
4C70Confident64Low31 Ų31104 Ų10421%0.20950%0.499CS..  trans-56.5113.3175.4172.90000109.7D2 H6 V7 V83D2-C4 PolarHBondContact O-N 2.9Å; C4-H6 PolarHBondContact O-N 2.93Å; C4-H6 VanDerWaalsContact O-N 3.14Å; C4-V7 HydrophobicContact CB-CG2 3.67Å; C4-V7 WeakPolarHBondContact O-CG2 3.29Å; C4-V7 PolarHBondContact O-N 3.33Å; C4-V7 VanDerWaalsContact O-N 3.14Å; C4-V83 HydrophobicContact CB-CG2 4.09Å
5K76Confident64Low169 Ų169106 Ų10674%0.73551%0.513SS*.THydrogen-bonded Turntrans-66.3-17.5-172.8-62.9176.7-176.1172.40112.8R3R3-K5 PolarHBondContact O-N 2.83Å
6H77.4Confident65Low72 Ų7299.9 Ų99.933%0.33348%0.484SS..THydrogen-bonded Turntrans-81.9-9.9178.6-51.6114.2000113.7C4 V8 P64 L65 C76 C79C4-H6 PolarHBondContact O-N 2.93Å; C4-H6 VanDerWaalsContact O-N 3.14Å; H6-V8 PolarHBondContact O-N 3.16Å; H6-P64 HydrophobicContact CB-CB 4.24Å; H6-P64 HydrophobicContact CB-CG 4.01Å; H6-L65 VanDerWaalsContact O-CD1 3.25Å; H6-L65 WeakPolarHBondContact O-CD1 3.1Å; H6-C76 PolarHBondContact ND1-SG 2.89Å; H6-C79 VanDerWaalsContact CE1-SG 3.55Å; H6-C79 PolarHBondContact ND1-SG 2.93Å
7V72.6Confident65.9Low20 Ų2094.4 Ų94.412%0.12146%0.458CS..  trans-80.967.1177.1-157.10000110.9C4 L65 V83 N87 L92C4-V7 HydrophobicContact CB-CG2 3.67Å; C4-V7 WeakPolarHBondContact O-CG2 3.29Å; C4-V7 PolarHBondContact O-N 3.33Å; C4-V7 VanDerWaalsContact O-N 3.14Å; V7-L65 HydrophobicContact CG2-CD1 4.5Å; V7-L65 HydrophobicContact CG2-CD2 4.48Å; V7-V83 HydrophobicContact CG1-CG1 4.42Å; V7-V83 HydrophobicContact CG2-CB 4.39Å; V7-V83 HydrophobicContact CG2-CG1 3.46Å; V7-V83 VanDerWaalsContact CG2-CG1 3.46Å; V7-V83 HydrophobicContact CG2-CG2 3.96Å; V7-N87 HydrophobicContact CB-CB 4.41Å; V7-N87 HydrophobicContact CG1-CB 3.78Å; V7-L92 HydrophobicContact CG1-CD1 3.57Å; V7-L92 HydrophobicContact CG1-CG 4.23Å
8V64.8Low66.7Low99 Ų9989.2 Ų89.260%0.643%0.433SS*.  trans-83.8163.2175.9-170.10000109.7H6 L10H6-V8 PolarHBondContact O-N 3.16Å; V8-L10 PolarHBondContact O-N 3.38Å
9R62.1Low67.2Low91 Ų9188.2 Ų88.234%0.34343%0.429SS..  trans-42.1118.7176.6-172.6166.6-179.3-177.42.9112.9E89 D91R9-E89 WeakPolarHBondContact CB-OE2 3.47Å; R9-E89 VanDerWaalsContact CD-OE2 3.25Å; R9-E89 WeakPolarHBondContact CD-OE2 3.4Å; R9-E89 WeakPolarHBondContact CG-OE2 3.32Å; R9-D91 WeakPolarHBondContact CA-OD2 3.38Å
10L68.4Low67.8Low32 Ų3286.3 Ų86.317%0.16842%0.421CS..  trans-82.1132.4-175.6-64.1176.3000111.1V8 L39 D91 L92 L95V8-L10 PolarHBondContact O-N 3.38Å; L10-L39 HydrophobicContact CD1-CD1 4.41Å; L10-L39 HydrophobicContact CD2-CB 4.1Å; L10-D91 HydrophobicContact CB-CB 4.05Å; L10-D91 HydrophobicContact CD1-CB 4.04Å; L10-D91 HydrophobicContact CG-CB 4.19Å; L10-D91 PolarHBondContact N-OD2 2.97Å; L10-L92 HydrophobicContact CD1-CD2 3.63Å; L10-L92 HydrophobicContact CD1-CG 4.03Å; L10-L95 HydrophobicContact CD1-CD2 4.37Å
11R63.3Low68.4Low212 Ų21285.1 Ų85.180%0.842%0.42SS*.  trans-124.885.9173.9-66-170.1-173.7-173.34.4109.9
12L68.8Low70.1Confident46 Ų4682.6 Ų82.624%0.24141%0.406CS..  trans-85129.3173.2-56.7177.4000109.5H16 I18 L95L12-H16 HydrophobicContact CB-CB 4.23Å; L12-I18 HydrophobicContact CD1-CG2 3.92Å; L12-L95 HydrophobicContact CD1-CD1 3.61Å; L12-L95 HydrophobicContact CD1-CD2 3.87Å; L12-L95 HydrophobicContact CD1-CG 4.37Å
13G65.1Low71.8Confident45 Ų4579.7 Ų79.746%0.46439%0.387SS..  trans-69.3163.5169.800000112D15 H16G13-D15 VanDerWaalsContact C-N 3.26Å; G13-D15 PolarHBondContact O-N 3.17Å; G13-H16 WeakPolarHBondContact O-CB 3.43Å; G13-H16 PolarHBondContact O-N 2.99Å
14Q58.5Low73Confident121 Ų12173.4 Ų73.457%0.56536%0.363SS*.THydrogen-bonded Turntrans-62.1-32.8-177-60.6-171.5-18.700112.9L147 I151Q14-L147 HydrophobicContact CB-CD2 4.16Å; Q14-L147 HydrophobicContact CG-CD2 3.81Å; Q14-I151 VanDerWaalsContact NE2-CD1 3.25Å
15D63.3Low73.7Confident134 Ų13475.6 Ų75.672%0.71737%0.37SS*.THydrogen-bonded Turntrans-96.815.7-179.3-59.8-67.3000114.5G13 S17G13-D15 VanDerWaalsContact C-N 3.26Å; G13-D15 PolarHBondContact O-N 3.17Å; D15-S17 PolarHBondContact O-N 3.5Å
16H80.3Confident74.2Confident9 Ų967.5 Ų67.54%0.04234%0.335CS..  trans-63.5129.4-175.1-166.4-72.4000111.9L12 G13 I18 L19 C38 C41L12-H16 HydrophobicContact CB-CB 4.23Å; G13-H16 WeakPolarHBondContact O-CB 3.43Å; G13-H16 PolarHBondContact O-N 2.99Å; H16-I18 VanDerWaalsContact C-N 3.26Å; H16-I18 VanDerWaalsContact ND1-CG2 3.29Å; H16-I18 WeakPolarHBondContact ND1-CG2 3.32Å; H16-I18 PolarHBondContact ND1-N 3.02Å; H16-I18 PolarHBondContact O-N 3.01Å; H16-L19 WeakPolarHBondContact O-CB 3.4Å; H16-L19 PolarHBondContact O-N 3.27Å; H16-C38 PolarHBondContact CE1-O 3.49Å; H16-C38 PolarHBondContact NE2-O 3.12Å; H16-C41 PolarHBondContact CE1-O 3.05Å; H16-C41 VanDerWaalsContact CE1-O 3.27Å; H16-C41 PolarHBondContact NE2-O 3.27Å; H16-C41 VanDerWaalsContact NE2-O 3.08Å
17S80.1Confident74.7Confident6 Ų668.2 Ų68.24%0.04234%0.344CS..G310 helixtrans-58-30.6-167.5-58.70000115.4D15 L19 N20 K23 S42 V44D15-S17 PolarHBondContact O-N 3.5Å; S17-L19 PolarHBondContact O-N 3.11Å; S17-N20 PolarHBondContact O-N 3.15Å; S17-K23 VanDerWaalsContact OG-CD 3.25Å; S17-K23 WeakPolarHBondContact OG-CD 3.37Å; S17-S42 VanDerWaalsContact CB-O 3.24Å; S17-S42 WeakPolarHBondContact CB-O 3.37Å; S17-S42 WeakPolarHBondContact OG-CB 3.15Å; S17-S42 PolarHBondContact OG-O 3.05Å; S17-V44 VanDerWaalsContact CB-CG2 3.48Å
18I81.3Confident75.3Confident0 Ų072.8 Ų72.80%036%0.364CS..G310 helixtrans-54.9-32.3172.4-160.1169.6000113.2L12 H16 W24 A37 L39 M67 L95 L99L12-I18 HydrophobicContact CD1-CG2 3.92Å; H16-I18 VanDerWaalsContact C-N 3.26Å; H16-I18 VanDerWaalsContact ND1-CG2 3.29Å; H16-I18 WeakPolarHBondContact ND1-CG2 3.32Å; H16-I18 PolarHBondContact ND1-N 3.02Å; H16-I18 PolarHBondContact O-N 3.01Å; I18-W24 PolarHBondContact O-NE1 2.97Å; I18-A37 HydrophobicContact CB-CB 3.67Å; I18-A37 HydrophobicContact CD1-CB 4.04Å; I18-A37 HydrophobicContact CG1-CB 3.71Å; I18-L39 HydrophobicContact CD1-CD2 3.63Å; I18-M67 HydrophobicContact CD1-CB 3.85Å; I18-M67 HydrophobicContact CD1-CG 4.25Å; I18-M67 HydrophobicContact CD1-SD 3.87Å; I18-L95 HydrophobicContact CD1-CD2 4.23Å; I18-L99 HydrophobicContact CD1-CD1 3.98Å; I18-L99 HydrophobicContact CG1-CD1 3.97Å; I18-L99 HydrophobicContact CG1-CD2 4.39Å; I18-L99 WeakPolarHBondContact O-CD2 3.25Å
19L75.8Confident76.1Confident70 Ų7070.5 Ų70.537%0.36635%0.352SS..G310 helixtrans-86.6-5.1-179-56.3178.4000113.3H16 S17 L95 L99H16-L19 WeakPolarHBondContact O-CB 3.4Å; H16-L19 PolarHBondContact O-N 3.27Å; S17-L19 PolarHBondContact O-N 3.11Å; L19-L95 HydrophobicContact CD2-CD1 4.06Å; L19-L99 HydrophobicContact CD2-CD2 4.18Å
20N79.7Confident77.1Confident51 Ų5170.3 Ų70.327%0.27336%0.364SS..  trans-118.1101.8-179.3-175.3-10.5000111S17 Q22 K23S17-N20 PolarHBondContact O-N 3.15Å; N20-Q22 PolarHBondContact O-N 3.11Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.38Å; N20-Q22 PolarHBondContact OD1-N 2.93Å; N20-K23 HydrophobicContact CB-CD 4.35Å; N20-K23 HydrophobicContact CB-CG 4.32Å; N20-K23 PolarHBondContact O-N 3.42Å
21P79.7Confident77.4Confident62 Ų6270.4 Ų70.440%0.40337%0.366SS..G310 helixtrans-56.2-22.3179.2-2835.9000115.5K23 W24 V102P21-K23 PolarHBondContact O-N 2.77Å; P21-W24 HydrophobicContact CB-CD2 4.15Å; P21-W24 HydrophobicContact CB-CE3 4.18Å; P21-W24 HydrophobicContact CB-CZ2 4.46Å; P21-W24 HydrophobicContact CB-CZ3 4.37Å; P21-W24 HydrophobicContact CG-CH2 4.18Å; P21-W24 HydrophobicContact CG-CZ2 4.05Å; P21-W24 HydrophobicContact CG-CZ3 4.5Å; P21-W24 WeakPolarHBondContact O-CB 3.42Å; P21-W24 PolarHBondContact O-N 3.11Å; P21-V102 HydrophobicContact CG-CG1 3.63Å
22Q77.7Confident78.2Confident144 Ų14464 Ų6467%0.67335%0.351SS*.G310 helixtrans-69.8-18.2175.7-57.3-172.7-54.700112.7N20 H25N20-Q22 PolarHBondContact O-N 3.11Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.38Å; N20-Q22 PolarHBondContact OD1-N 2.93Å; Q22-H25 PolarHBondContact O-CE1 3.35Å; Q22-H25 VanDerWaalsContact O-CE1 3.24Å; Q22-H25 PolarHBondContact O-ND1 3.07Å
23K80.9Confident78.2Confident80 Ų8066.1 Ų66.135%0.34836%0.362SS..G310 helixtrans-98.811.2177.2-59.9-175.1175.7177.80112.9S17 N20 P21 H25S17-K23 VanDerWaalsContact OG-CD 3.25Å; S17-K23 WeakPolarHBondContact OG-CD 3.37Å; N20-K23 HydrophobicContact CB-CD 4.35Å; N20-K23 HydrophobicContact CB-CG 4.32Å; N20-K23 PolarHBondContact O-N 3.42Å; P21-K23 PolarHBondContact O-N 2.77Å; K23-H25 PolarHBondContact O-N 3.5Å
24W87.6Confident78.7Confident48 Ų4865.4 Ų65.418%0.18235%0.35CS..  trans-85.458.7-179.8-68.12000112.1I18 P21 V69 L99I18-W24 PolarHBondContact O-NE1 2.97Å; P21-W24 HydrophobicContact CB-CD2 4.15Å; P21-W24 HydrophobicContact CB-CE3 4.18Å; P21-W24 HydrophobicContact CB-CZ2 4.46Å; P21-W24 HydrophobicContact CB-CZ3 4.37Å; P21-W24 HydrophobicContact CG-CH2 4.18Å; P21-W24 HydrophobicContact CG-CZ2 4.05Å; P21-W24 HydrophobicContact CG-CZ3 4.5Å; P21-W24 WeakPolarHBondContact O-CB 3.42Å; P21-W24 PolarHBondContact O-N 3.11Å; W24-V69 HydrophobicContact CB-CG2 4.01Å; W24-V69 HydrophobicContact CD2-CB 3.69Å; W24-V69 HydrophobicContact CD2-CG1 4.22Å; W24-V69 HydrophobicContact CD2-CG2 3.83Å; W24-V69 HydrophobicContact CE3-CB 4.05Å; W24-V69 HydrophobicContact CE3-CG2 3.97Å; W24-V69 HydrophobicContact CG-CB 3.95Å; W24-V69 HydrophobicContact CG-CG1 4.06Å; W24-V69 HydrophobicContact CG-CG2 3.87Å; W24-V69 HydrophobicContact CZ2-CB 4.37Å; W24-L99 HydrophobicContact CZ2-CD2 4.24Å
25H84.8Confident80Confident76 Ų7659.7 Ų59.735%0.35232%0.324SS..SBendtrans-141.4151.617152-91000108.5Q22 K23 V27 T31 T32 V44Q22-H25 PolarHBondContact O-CE1 3.35Å; Q22-H25 VanDerWaalsContact O-CE1 3.24Å; Q22-H25 PolarHBondContact O-ND1 3.07Å; K23-H25 PolarHBondContact O-N 3.5Å; H25-V27 PolarHBondContact O-N 3.5Å; H25-T31 CarbonylContact C-O 3.53Å; H25-T31 WeakPolarHBondContact CA-O 3.48Å; H25-T32 HydrophobicContact CB-CG2 4.3Å; H25-V44 VanDerWaalsContact O-CG1 3.29Å; H25-V44 WeakPolarHBondContact O-CG1 3.47Å
26C85.4Confident81.2Confident0 Ų053.7 Ų53.70%029%0.291CS..  trans-63.1127.4172.9-177.60000109.9E28 S30 T31 C46C26-E28 VanDerWaalsContact C-N 3.29Å; C26-E28 PolarHBondContact O-N 2.92Å; C26-S30 WeakPolarHBondContact O-CA 3.48Å; C26-S30 PolarHBondContact O-N 3.41Å; C26-T31 HydrophobicContact CB-CG2 3.82Å; C26-T31 PolarHBondContact N-O 2.88Å; C26-C46 HydrophobicContact CB-CB 3.96Å; C26-C46 PolarHBondContact SG-N 3.14Å
27V87.8Confident81.6Confident86 Ų8653.2 Ų53.252%0.52129%0.289SS..THydrogen-bonded Turntrans-61.4-38.5178.4174.90000111.6H25 V44H25-V27 PolarHBondContact O-N 3.5Å; V27-V44 WeakPolarHBondContact CG2-O 3.42Å; V27-V44 PolarHBondContact N-O 2.8Å
28E85.6Confident82.1Confident116 Ų11653 Ų5354%0.54229%0.287SS..THydrogen-bonded Turntrans-75.7-44.9-176.9-53.4-51.5130.800115C26 H43 H53C26-E28 VanDerWaalsContact C-N 3.29Å; C26-E28 PolarHBondContact O-N 2.92Å; E28-H43 IonicContact OE1-CE1 3.58Å; E28-H53 HydrophobicContact CB-CB 4.44Å; E28-H53 HydrophobicContact CG-CB 4.14Å
29C83.2Confident82.3Confident51 Ų5153.3 Ų53.335%0.34529%0.289SS..THydrogen-bonded Turntrans-122.411.2-172.665.40000114.9T31C29-T31 PolarHBondContact O-N 3.13Å
30S83Confident82.7Confident87 Ų8756.3 Ų56.361%0.60830%0.299SS*.  trans564.5177.8-60.40000116.8C26C26-S30 WeakPolarHBondContact O-CA 3.48Å; C26-S30 PolarHBondContact O-N 3.41Å
31T74.7Confident83Confident34 Ų3455.3 Ų55.321%0.20930%0.295CS..  trans-63140.4178.4-170.50000111.3H25 C26 C29 D33 V35 C46 I50H25-T31 CarbonylContact C-O 3.53Å; H25-T31 WeakPolarHBondContact CA-O 3.48Å; C26-T31 HydrophobicContact CB-CG2 3.82Å; C26-T31 PolarHBondContact N-O 2.88Å; C29-T31 PolarHBondContact O-N 3.13Å; T31-D33 PolarHBondContact OG1-N 2.87Å; T31-D33 VanDerWaalsContact OG1-N 3.1Å; T31-V35 WeakPolarHBondContact O-CG2 3.38Å; T31-C46 HydrophobicContact CG2-CB 3.5Å; T31-C46 VanDerWaalsContact CG2-CB 3.5Å; T31-I50 HydrophobicContact CG2-CD1 4.49Å
32T78.6Confident83.4Confident79 Ų7955.2 Ų55.249%0.48530%0.296SS..  trans-95.2-4169.658.20000112.1H25 V35 R70H25-T32 HydrophobicContact CB-CG2 4.3Å; T32-V35 VanDerWaalsContact C-CG2 3.45Å; T32-V35 WeakPolarHBondContact O-CG2 3.29Å; T32-R70 VanDerWaalsContact O-CZ 3.28Å; T32-R70 PolarHBondContact O-NH1 2.87Å; T32-R70 PolarHBondContact O-NH2 3.25Å
33D68.4Low83.9Confident89 Ų8950.1 Ų50.148%0.47627%0.273SS..SBendtrans-88.1141.4179.7-68.5-33.8000113.1T31 V35 I50 R70T31-D33 PolarHBondContact OG1-N 2.87Å; T31-D33 VanDerWaalsContact OG1-N 3.1Å; D33-V35 PolarHBondContact O-N 2.79Å; D33-I50 VanDerWaalsContact C-CD1 3.45Å; D33-I50 HydrophobicContact CB-CD1 4.28Å; D33-I50 WeakPolarHBondContact O-CD1 3.28Å; D33-R70 IonicContact OD1-CZ 2.83Å; D33-R70 IonicContact OD1-NH1 2.99Å; D33-R70 IonicContact OD1-NH2 3.17Å; D33-R70 PolarHBondContact OD1-NH2 3.28Å
34S76.5Confident84.3Confident30 Ų3046.4 Ų46.421%0.2126%0.257CS..SBendtrans21.574.4-163.3-1620000113.3W36 G47 E68S34-W36 PolarHBondContact O-NE1 3.03Å; S34-W36 PolarHBondContact OG-NE1 3.5Å; S34-G47 PolarHBondContact O-N 3.28Å; S34-E68 WeakPolarHBondContact CA-OE1 3.05Å; S34-E68 WeakPolarHBondContact CB-OE1 3.17Å; S34-E68 PolarHBondContact OG-OE1 2.9Å
35V86.2Confident84.3Confident1 Ų144.1 Ų44.11%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-96.7127.9-176.3171.40000110.5T31 T32 D33 V44 E68 V69T31-V35 WeakPolarHBondContact O-CG2 3.38Å; T32-V35 VanDerWaalsContact C-CG2 3.45Å; T32-V35 WeakPolarHBondContact O-CG2 3.29Å; D33-V35 PolarHBondContact O-N 2.79Å; V35-V44 HydrophobicContact CG1-CG1 3.17Å; V35-E68 WeakPolarHBondContact O-CA 3.35Å; V35-E68 WeakPolarHBondContact O-CG 3.41Å; V35-V69 HydrophobicContact CB-CG2 4.03Å; V35-V69 HydrophobicContact CG1-CG2 4.16Å; V35-V69 PolarHBondContact O-N 2.92Å
36W88Confident84.1Confident8 Ų840.5 Ų40.53%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-115.4119.5-173.9-63.575000109.7S34 V44 A45 F54 A66 M67 E68 F75 Y82S34-W36 PolarHBondContact O-NE1 3.03Å; S34-W36 PolarHBondContact OG-NE1 3.5Å; W36-V44 WeakPolarHBondContact O-CA 3.48Å; W36-A45 PolarHBondContact N-O 2.81Å; W36-A45 PolarHBondContact O-N 3.4Å; W36-F54 HydrophobicContact CB-CD2 3.71Å; W36-F54 HydrophobicContact CB-CE2 4.3Å; W36-F54 HydrophobicContact CB-CG 4.28Å; W36-A66 HydrophobicContact CB-CB 4.02Å; W36-A66 HydrophobicContact CE3-CB 3.91Å; W36-M67 WeakPolarHBondContact CA-O 3.42Å; W36-E68 HydrophobicContact CD2-CB 3.96Å; W36-E68 HydrophobicContact CD2-CG 4.27Å; W36-E68 HydrophobicContact CE3-CB 3.98Å; W36-E68 VanDerWaalsContact CE3-N 3.35Å; W36-E68 HydrophobicContact CH2-CB 3.99Å; W36-E68 HydrophobicContact CZ2-CB 3.95Å; W36-E68 HydrophobicContact CZ2-CG 4.22Å; W36-E68 HydrophobicContact CZ3-CB 3.99Å; W36-F75 HydrophobicContact CE3-CB 4.22Å; W36-F75 HydrophobicContact CH2-CB 3.91Å; W36-F75 HydrophobicContact CZ3-CB 3.49Å; W36-F75 VanDerWaalsContact CZ3-CB 3.49Å; W36-Y82 AromaticContact CH2-CE1 3.92Å; W36-Y82 HydrophobicContact CH2-CE1 3.92Å
37A89.4Confident83.4Confident0 Ų040.5 Ų40.50%023%0.231CC..EExtended strand (participates in β ladder)trans-90.5129.9172.500000109.4I18 V44 A66 M67 V69I18-A37 HydrophobicContact CB-CB 3.67Å; I18-A37 HydrophobicContact CD1-CB 4.04Å; I18-A37 HydrophobicContact CG1-CB 3.71Å; A37-V44 HydrophobicContact CB-CG2 4.17Å; A37-A66 WeakPolarHBondContact O-CA 3.26Å; A37-M67 PolarHBondContact N-O 2.93Å; A37-M67 PolarHBondContact O-N 3.22Å; A37-V69 HydrophobicContact CB-CG1 3.86Å
38C89.2Confident81.9Confident0 Ų039.6 Ų39.60%022%0.218CC..EExtended strand (participates in β ladder)trans-65.8136.2178178.10000110.1H16 K40 C41 H43 F54 H63H16-C38 PolarHBondContact CE1-O 3.49Å; H16-C38 PolarHBondContact NE2-O 3.12Å; C38-K40 VanDerWaalsContact C-N 3.26Å; C38-K40 PolarHBondContact O-N 3.01Å; C38-C41 WeakPolarHBondContact CB-O 3.42Å; C38-C41 VanDerWaalsContact SG-SG 3.62Å; C38-H43 WeakPolarHBondContact CB-O 3.48Å; C38-H43 PolarHBondContact N-O 2.99Å; C38-F54 HydrophobicContact CB-CE2 3.74Å; C38-F54 HydrophobicContact CB-CZ 3.64Å; C38-H63 VanDerWaalsContact SG-CB 3.55Å
39L86.6Confident80.4Confident7 Ų740.5 Ų40.54%0.03722%0.221CC..SBendtrans-84.92.8-179.6-67.2-175.6000114L10 I18 L65 M67 V74 L92 L95L10-L39 HydrophobicContact CD1-CD1 4.41Å; L10-L39 HydrophobicContact CD2-CB 4.1Å; I18-L39 HydrophobicContact CD1-CD2 3.63Å; L39-L65 HydrophobicContact CB-CB 4.08Å; L39-L65 HydrophobicContact CD1-CB 4.27Å; L39-L65 PolarHBondContact N-O 3.4Å; L39-M67 HydrophobicContact CD1-CB 4.32Å; L39-M67 HydrophobicContact CD2-CB 3.85Å; L39-M67 HydrophobicContact CG-CB 4.22Å; L39-V74 HydrophobicContact CD1-CG1 3.98Å; L39-V74 HydrophobicContact CD1-CG2 4.39Å; L39-L92 HydrophobicContact CD1-CD2 3.81Å; L39-L95 HydrophobicContact CD2-CD2 3.78Å
40K83.4Confident79.5Confident134 Ų13440 Ų4058%0.58321%0.214SC*.SBendtrans-117.9-19179.9-174.7171.3165.4-147.80113.5C38 H63C38-K40 VanDerWaalsContact C-N 3.26Å; C38-K40 PolarHBondContact O-N 3.01Å; K40-H63 HydrophobicContact CB-CB 4.49Å; K40-H63 VanDerWaalsContact CD-CD2 3.41Å; K40-H63 WeakPolarHBondContact CD-CD2 3.37Å; K40-H63 VanDerWaalsContact CE-NE2 3.33Å; K40-H63 WeakPolarHBondContact CE-NE2 3.48Å; K40-H63 PolarHBondContact NZ-CD2 2.82Å; K40-H63 PolarHBondContact NZ-NE2 2.81Å
41C86.9Confident78.9Confident29 Ų2939.8 Ų39.820%0.19620%0.203CC..SBendtrans-153.5163.2178.273.80000112.3H16 C38 H43 H57 H63H16-C41 PolarHBondContact CE1-O 3.05Å; H16-C41 VanDerWaalsContact CE1-O 3.27Å; H16-C41 PolarHBondContact NE2-O 3.27Å; H16-C41 VanDerWaalsContact NE2-O 3.08Å; C38-C41 WeakPolarHBondContact CB-O 3.42Å; C38-C41 VanDerWaalsContact SG-SG 3.62Å; C41-H43 PolarHBondContact O-N 3.13Å; C41-H57 PolarHBondContact SG-NE2 3.18Å; C41-H63 PolarHBondContact SG-ND1 3.31Å
42S87.3Confident79.1Confident60 Ų6041.2 Ų41.242%0.4221%0.208SC..SBendtrans-67.110.6-178.3-62.70000115.8S17S17-S42 VanDerWaalsContact CB-O 3.24Å; S17-S42 WeakPolarHBondContact CB-O 3.37Å; S17-S42 WeakPolarHBondContact OG-CB 3.15Å; S17-S42 PolarHBondContact OG-O 3.05Å
43H88Confident79.3Confident38 Ų3838.6 Ų38.618%0.17619%0.19CC..  trans-77.6142.3176.9-168.685.4000111.3E28 C38 C41 H57E28-H43 IonicContact OE1-CE1 3.58Å; C38-H43 WeakPolarHBondContact CB-O 3.48Å; C38-H43 PolarHBondContact N-O 2.99Å; C41-H43 PolarHBondContact O-N 3.13Å; H43-H57 AromaticContact CD2-CD2 3.98Å; H43-H57 AromaticContact CD2-CE1 3.61Å; H43-H57 AromaticContact CD2-CG 3.47Å; H43-H57 VanDerWaalsContact CD2-CG 3.47Å; H43-H57 AromaticContact CD2-ND1 3.45Å; H43-H57 PolarHBondContact CD2-ND1 3.14Å; H43-H57 AromaticContact CG-CE1 3.65Å; H43-H57 AromaticContact CG-ND1 3.62Å; H43-H57 AromaticContact ND1-CE1 3.93Å; H43-H57 AromaticContact NE2-CE1 3.89Å
44V89.4Confident80Confident2 Ų234.4 Ų34.41%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-136.1122.9-176.7-178.40000108.3S17 H25 V27 V35 W36 A37S17-V44 VanDerWaalsContact CB-CG2 3.48Å; H25-V44 VanDerWaalsContact O-CG1 3.29Å; H25-V44 WeakPolarHBondContact O-CG1 3.47Å; V27-V44 WeakPolarHBondContact CG2-O 3.42Å; V27-V44 PolarHBondContact N-O 2.8Å; V35-V44 HydrophobicContact CG1-CG1 3.17Å; W36-V44 WeakPolarHBondContact O-CA 3.48Å; A37-V44 HydrophobicContact CB-CG2 4.17Å
45A87.2Confident80.2Confident0 Ų035.3 Ų35.30%017%0.17CC..EExtended strand (participates in β ladder)trans-139.9160.8-17300000112W36 H53 F54W36-A45 PolarHBondContact N-O 2.81Å; W36-A45 PolarHBondContact O-N 3.4Å; A45-H53 HydrophobicContact CB-CB 3.91Å; A45-F54 HydrophobicContact CB-CB 3.99Å; A45-F54 HydrophobicContact CB-CD2 4.01Å; A45-F54 HydrophobicContact CB-CG 4.44Å
46C81.6Confident80.2Confident0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-74151.5176.171.50000111.6C26 T31 I50 H53 F54C26-C46 HydrophobicContact CB-CB 3.96Å; C26-C46 PolarHBondContact SG-N 3.14Å; T31-C46 HydrophobicContact CG2-CB 3.5Å; T31-C46 VanDerWaalsContact CG2-CB 3.5Å; C46-I50 HydrophobicContact CB-CB 4.08Å; C46-I50 HydrophobicContact CB-CD1 4.2Å; C46-I50 HydrophobicContact CB-CG2 4.28Å; C46-H53 PolarHBondContact SG-ND1 2.87Å; C46-H53 VanDerWaalsContact SG-ND1 3.38Å; C46-F54 PolarHBondContact O-N 3.26Å; C46-F54 VanDerWaalsContact O-N 3.13Å
47G69.5Low80.3Confident0 Ų040.8 Ų40.80%019%0.194CC..  trans-67.2168-175.100000114.6S34 F49 I50 E52S34-G47 PolarHBondContact O-N 3.28Å; G47-F49 PolarHBondContact O-N 3.12Å; G47-I50 PolarHBondContact O-N 3.09Å; G47-E52 PolarHBondContact O-N 3.49Å
48R57.8Low80.2Confident66 Ų6642 Ų4225%0.24920%0.2CC..THydrogen-bonded Turntrans-56.6-7.917660.3172.7-81.9179.2-4115.9E52 F75 F77R48-E52 WeakPolarHBondContact O-CG 3.47Å; R48-F75 VanDerWaalsContact NH1-CZ 3.33Å; R48-F77 HydrophobicContact CB-CE1 4.44Å
49F52.7Low80.2Confident136 Ų13647.8 Ų47.860%0.59623%0.226SC*.THydrogen-bonded Turntrans-109.22.8-179.4-56.9-66.2000113.2G47G47-F49 PolarHBondContact O-N 3.12Å
50I65.4Low80.4Confident41 Ų4154.7 Ų54.721%0.2126%0.259CS..THydrogen-bonded Turntrans-110.2-100.4178.1-53.2178.4000109.1T31 D33 C46 G47 R366T31-I50 HydrophobicContact CG2-CD1 4.49Å; D33-I50 VanDerWaalsContact C-CD1 3.45Å; D33-I50 HydrophobicContact CB-CD1 4.28Å; D33-I50 WeakPolarHBondContact O-CD1 3.28Å; C46-I50 HydrophobicContact CB-CB 4.08Å; C46-I50 HydrophobicContact CB-CD1 4.2Å; C46-I50 HydrophobicContact CB-CG2 4.28Å; G47-I50 PolarHBondContact O-N 3.09Å; I50-R366 PolarHBondContact O-NH2 3.1Å
51E69.6Low80.6Confident81 Ų8150 Ų5038%0.37924%0.242SC..THydrogen-bonded Turntrans-109.912.8176.6-60.6-52.7148.700112.4H53 R366E51-H53 WeakPolarHBondContact CB-CE1 3.38Å; E51-H53 PolarHBondContact O-N 3.47Å; E51-R366 IonicContact OE1-CZ 2.73Å; E51-R366 IonicContact OE1-NH1 2.7Å; E51-R366 PolarHBondContact OE1-NH1 2.9Å; E51-R366 IonicContact OE1-NH2 3.98Å; E51-R366 PolarHBondContact OE1-NH2 2.7Å; E51-R366 IonicContact OE2-NH2 3.1Å
52E80.4Confident80.7Confident64 Ų6454.2 Ų54.230%0.29926%0.26SS..  trans57.422.7176.4-61.1168.8-151.200113.4G47 R48 F54 L55 K56 K363G47-E52 PolarHBondContact O-N 3.49Å; R48-E52 WeakPolarHBondContact O-CG 3.47Å; E52-F54 VanDerWaalsContact C-N 3.28Å; E52-F54 PolarHBondContact O-N 2.91Å; E52-L55 HydrophobicContact CB-CB 4.23Å; E52-L55 WeakPolarHBondContact O-CA 3.26Å; E52-L55 VanDerWaalsContact O-CB 3.26Å; E52-L55 WeakPolarHBondContact O-CB 3.39Å; E52-L55 PolarHBondContact O-N 3.2Å; E52-K56 PolarHBondContact O-N 3.34Å; E52-K56 VanDerWaalsContact O-N 3.15Å; E52-K363 IonicContact OE1-NZ 2.98Å; E52-K363 PolarHBondContact OE1-NZ 3.22Å
53H81.3Confident80.8Confident25 Ų2552.6 Ų52.612%0.11625%0.245CC..Hα-helixtrans-61.1-33.2-177.2-71.1132.9000113.3E28 A45 C46 E51 L55 K56 H57E28-H53 HydrophobicContact CB-CB 4.44Å; E28-H53 HydrophobicContact CG-CB 4.14Å; A45-H53 HydrophobicContact CB-CB 3.91Å; C46-H53 PolarHBondContact SG-ND1 2.87Å; C46-H53 VanDerWaalsContact SG-ND1 3.38Å; E51-H53 WeakPolarHBondContact CB-CE1 3.38Å; E51-H53 PolarHBondContact O-N 3.47Å; H53-L55 VanDerWaalsContact C-N 3.28Å; H53-L55 PolarHBondContact O-N 2.82Å; H53-K56 PolarHBondContact CD2-NZ 3.02Å; H53-K56 VanDerWaalsContact CD2-NZ 3.35Å; H53-K56 PolarHBondContact NE2-NZ 2.99Å; H53-K56 PolarHBondContact O-N 2.91Å; H53-H57 PolarHBondContact O-N 3.14Å
54F83.1Confident80.7Confident0 Ų052 Ų520%025%0.245CC..Hα-helixtrans-66.2-31.9171.8-155.6-73.3000112.4W36 C38 A45 C46 E52 H57 F58 A66 F77W36-F54 HydrophobicContact CB-CD2 3.71Å; W36-F54 HydrophobicContact CB-CE2 4.3Å; W36-F54 HydrophobicContact CB-CG 4.28Å; C38-F54 HydrophobicContact CB-CE2 3.74Å; C38-F54 HydrophobicContact CB-CZ 3.64Å; A45-F54 HydrophobicContact CB-CB 3.99Å; A45-F54 HydrophobicContact CB-CD2 4.01Å; A45-F54 HydrophobicContact CB-CG 4.44Å; C46-F54 PolarHBondContact O-N 3.26Å; C46-F54 VanDerWaalsContact O-N 3.13Å; E52-F54 VanDerWaalsContact C-N 3.28Å; E52-F54 PolarHBondContact O-N 2.91Å; F54-H57 AromaticContact CE1-CD2 3.99Å; F54-H57 AromaticContact CZ-CD2 3.71Å; F54-H57 PolarHBondContact O-N 3.34Å; F54-F58 WeakPolarHBondContact O-CB 3.48Å; F54-F58 PolarHBondContact O-N 3.39Å; F54-A66 HydrophobicContact CD1-CB 4.04Å; F54-A66 HydrophobicContact CD2-CB 3.99Å; F54-A66 HydrophobicContact CE1-CB 3.59Å; F54-A66 HydrophobicContact CE2-CB 3.5Å; F54-A66 HydrophobicContact CG-CB 4.26Å; F54-A66 HydrophobicContact CZ-CB 3.31Å; F54-F77 HydrophobicContact CB-CE1 4.45Å; F54-F77 HydrophobicContact CB-CE2 4.43Å; F54-F77 HydrophobicContact CB-CZ 3.93Å; F54-F77 HydrophobicContact CD1-CD1 4.38Å; F54-F77 AromaticContact CD1-CD2 3.51Å; F54-F77 HydrophobicContact CD1-CD2 3.51Å; F54-F77 HydrophobicContact CD1-CE1 4.06Å; F54-F77 AromaticContact CD1-CE2 3.12Å; F54-F77 HydrophobicContact CD1-CE2 3.12Å; F54-F77 HydrophobicContact CD1-CG 4.15Å; F54-F77 AromaticContact CD1-CZ 3.44Å; F54-F77 HydrophobicContact CD1-CZ 3.44Å; F54-F77 VanDerWaalsContact CD1-CZ 3.44Å; F54-F77 AromaticContact CE1-CD2 3.65Å; F54-F77 HydrophobicContact CE1-CD2 3.65Å; F54-F77 AromaticContact CE1-CE2 3.6Å; F54-F77 HydrophobicContact CE1-CE2 3.6Å; F54-F77 HydrophobicContact CE1-CG 4.46Å; F54-F77 HydrophobicContact CE1-CZ 4.35Å; F54-F77 AromaticContact CG-CE2 3.89Å; F54-F77 HydrophobicContact CG-CE2 3.89Å; F54-F77 AromaticContact CG-CZ 3.9Å; F54-F77 HydrophobicContact CG-CZ 3.9Å
55L81.4Confident80.6Confident50 Ų5052.5 Ų52.526%0.26225%0.247SC..Hα-helixtrans-68.1-40.7176.6-177.263.9000111.2E52 H53 F58 Q59 F77E52-L55 HydrophobicContact CB-CB 4.23Å; E52-L55 WeakPolarHBondContact O-CA 3.26Å; E52-L55 VanDerWaalsContact O-CB 3.26Å; E52-L55 WeakPolarHBondContact O-CB 3.39Å; E52-L55 PolarHBondContact O-N 3.2Å; H53-L55 VanDerWaalsContact C-N 3.28Å; H53-L55 PolarHBondContact O-N 2.82Å; L55-F58 HydrophobicContact CD1-CD1 4.3Å; L55-F58 PolarHBondContact O-N 2.69Å; L55-Q59 VanDerWaalsContact O-CG 3.32Å; L55-Q59 WeakPolarHBondContact O-CG 3.36Å; L55-Q59 PolarHBondContact O-N 3.09Å; L55-F77 HydrophobicContact CB-CE1 4.48Å; L55-F77 HydrophobicContact CD1-CD1 4.05Å
56K85.6Confident80.5Confident97 Ų9752.5 Ų52.542%0.42225%0.247SC..Hα-helixtrans-60.4-50.2172.2-56.8-177.7-161.41670110.8E52 H53 F58 Q59 E60E52-K56 PolarHBondContact O-N 3.34Å; E52-K56 VanDerWaalsContact O-N 3.15Å; H53-K56 PolarHBondContact CD2-NZ 3.02Å; H53-K56 VanDerWaalsContact CD2-NZ 3.35Å; H53-K56 PolarHBondContact NE2-NZ 2.99Å; H53-K56 PolarHBondContact O-N 2.91Å; K56-F58 VanDerWaalsContact C-N 3.27Å; K56-F58 PolarHBondContact O-N 2.99Å; K56-Q59 WeakPolarHBondContact O-CB 3.39Å; K56-Q59 PolarHBondContact O-N 3.24Å; K56-E60 WeakPolarHBondContact O-CG 3.47Å; K56-E60 PolarHBondContact O-N 2.91Å
57H89.6Confident80.8Confident26 Ų2652.5 Ų52.512%0.1225%0.247CC..Hα-helixtrans-54.4-41.2173.8172.668.8000112.6C41 H43 H53 F54 S61 H63C41-H57 PolarHBondContact SG-NE2 3.18Å; H43-H57 AromaticContact CD2-CD2 3.98Å; H43-H57 AromaticContact CD2-CE1 3.61Å; H43-H57 AromaticContact CD2-CG 3.47Å; H43-H57 VanDerWaalsContact CD2-CG 3.47Å; H43-H57 AromaticContact CD2-ND1 3.45Å; H43-H57 PolarHBondContact CD2-ND1 3.14Å; H43-H57 AromaticContact CG-CE1 3.65Å; H43-H57 AromaticContact CG-ND1 3.62Å; H43-H57 AromaticContact ND1-CE1 3.93Å; H43-H57 AromaticContact NE2-CE1 3.89Å; H53-H57 PolarHBondContact O-N 3.14Å; F54-H57 AromaticContact CE1-CD2 3.99Å; F54-H57 AromaticContact CZ-CD2 3.71Å; F54-H57 PolarHBondContact O-N 3.34Å; H57-S61 PolarHBondContact NE2-OG 3.46Å; H57-S61 VanDerWaalsContact O-CB 3.31Å; H57-S61 WeakPolarHBondContact O-CB 3.48Å; H57-S61 PolarHBondContact O-N 3.48Å; H57-S61 PolarHBondContact O-OG 2.94Å; H57-H63 AromaticContact NE2-ND1 3.46Å; H57-H63 PolarHBondContact NE2-ND1 3.24Å
58F89.1Confident81.6Confident27 Ų2753.7 Ų53.712%0.11825%0.253CS..Hα-helixtrans-65.6-44.2175.6169.1-117.5000112.3F54 L55 K56 E60 Q62 H63 P64 F77 A78F54-F58 WeakPolarHBondContact O-CB 3.48Å; F54-F58 PolarHBondContact O-N 3.39Å; L55-F58 HydrophobicContact CD1-CD1 4.3Å; L55-F58 PolarHBondContact O-N 2.69Å; K56-F58 VanDerWaalsContact C-N 3.27Å; K56-F58 PolarHBondContact O-N 2.99Å; F58-E60 VanDerWaalsContact C-N 3.33Å; F58-E60 PolarHBondContact O-N 2.97Å; F58-Q62 WeakPolarHBondContact O-CA 3.48Å; F58-Q62 PolarHBondContact O-N 2.97Å; F58-Q62 PolarHBondContact O-NE2 2.76Å; F58-H63 WeakPolarHBondContact CD2-O 3.37Å; F58-P64 HydrophobicContact CE2-CB 4.03Å; F58-F77 HydrophobicContact CB-CB 4.05Å; F58-F77 HydrophobicContact CB-CG 4.34Å; F58-F77 HydrophobicContact CD1-CB 3.54Å; F58-F77 HydrophobicContact CD1-CG 4.49Å; F58-F77 HydrophobicContact CD2-CB 4.01Å; F58-F77 HydrophobicContact CE1-CB 3.95Å; F58-F77 HydrophobicContact CE2-CB 4.4Å; F58-F77 HydrophobicContact CG-CB 3.56Å; F58-F77 HydrophobicContact CG-CG 4.37Å; F58-F77 HydrophobicContact CZ-CB 4.36Å; F58-A78 HydrophobicContact CE2-CB 4.15Å; F58-A78 HydrophobicContact CZ-CB 3.82Å
59Q88.4Confident82.7Confident120 Ų12050.9 Ų50.956%0.56124%0.243SC*.Hα-helixtrans-60.1-43.5178.1-72.6167.6-9.700111.5L55 K56 Q62L55-Q59 VanDerWaalsContact O-CG 3.32Å; L55-Q59 WeakPolarHBondContact O-CG 3.36Å; L55-Q59 PolarHBondContact O-N 3.09Å; K56-Q59 WeakPolarHBondContact O-CB 3.39Å; K56-Q59 PolarHBondContact O-N 3.24Å; Q59-Q62 PolarHBondContact O-NE2 3.21Å
60E90.1Very high83.7Confident152 Ų15249.3 Ų49.371%0.7123%0.233SC*.Hα-helixtrans-74.2-47.5-179.4-68.2164.7-164.200113.4K56 F58K56-E60 WeakPolarHBondContact O-CG 3.47Å; K56-E60 PolarHBondContact O-N 2.91Å; F58-E60 VanDerWaalsContact C-N 3.33Å; F58-E60 PolarHBondContact O-N 2.97Å
61S87.9Confident84Confident35 Ų3551.9 Ų51.925%0.24524%0.244CC..Hα-helixtrans-97.5-11.6-171.270.20000114.9H57 H63H57-S61 PolarHBondContact NE2-OG 3.46Å; H57-S61 VanDerWaalsContact O-CB 3.31Å; H57-S61 WeakPolarHBondContact O-CB 3.48Å; H57-S61 PolarHBondContact O-N 3.48Å; H57-S61 PolarHBondContact O-OG 2.94Å; S61-H63 PolarHBondContact O-CD2 3.49Å; S61-H63 PolarHBondContact O-N 3.36Å; S61-H63 VanDerWaalsContact OG-CB 3.31Å; S61-H63 WeakPolarHBondContact OG-CB 3.42Å; S61-H63 PolarHBondContact OG-N 3.3Å; S61-H63 PolarHBondContact OG-ND1 2.57Å
62Q89Confident84.4Confident119 Ų11948.9 Ų48.956%0.55623%0.23SC*.  trans52.143.2-171.5-60.9-63.6-48.300112.1F58 Q59 P64F58-Q62 WeakPolarHBondContact O-CA 3.48Å; F58-Q62 PolarHBondContact O-N 2.97Å; F58-Q62 PolarHBondContact O-NE2 2.76Å; Q59-Q62 PolarHBondContact O-NE2 3.21Å; Q62-P64 VanDerWaalsContact O-CD 3.27Å; Q62-P64 WeakPolarHBondContact O-CD 3.12Å
63H89.8Confident84.4Confident26 Ų2647.7 Ų47.712%0.1223%0.226CC..  trans-98.595177.1-72.3-175.5000110.8C38 K40 C41 H57 F58 S61 L65C38-H63 VanDerWaalsContact SG-CB 3.55Å; K40-H63 HydrophobicContact CB-CB 4.49Å; K40-H63 VanDerWaalsContact CD-CD2 3.41Å; K40-H63 WeakPolarHBondContact CD-CD2 3.37Å; K40-H63 VanDerWaalsContact CE-NE2 3.33Å; K40-H63 WeakPolarHBondContact CE-NE2 3.48Å; K40-H63 PolarHBondContact NZ-CD2 2.82Å; K40-H63 PolarHBondContact NZ-NE2 2.81Å; C41-H63 PolarHBondContact SG-ND1 3.31Å; H57-H63 AromaticContact NE2-ND1 3.46Å; H57-H63 PolarHBondContact NE2-ND1 3.24Å; F58-H63 WeakPolarHBondContact CD2-O 3.37Å; S61-H63 PolarHBondContact O-CD2 3.49Å; S61-H63 PolarHBondContact O-N 3.36Å; S61-H63 VanDerWaalsContact OG-CB 3.31Å; S61-H63 WeakPolarHBondContact OG-CB 3.42Å; S61-H63 PolarHBondContact OG-N 3.3Å; S61-H63 PolarHBondContact OG-ND1 2.57Å; H63-L65 VanDerWaalsContact C-N 3.28Å; H63-L65 PolarHBondContact O-N 3.27Å
64P85.9Confident84.4Confident26 Ų2646.6 Ų46.617%0.16922%0.221CC..  trans-78.5-5.9-161.233-39.4000114.6H6 F58 Q62 C76 F77 A78H6-P64 HydrophobicContact CB-CB 4.24Å; H6-P64 HydrophobicContact CB-CG 4.01Å; F58-P64 HydrophobicContact CE2-CB 4.03Å; Q62-P64 VanDerWaalsContact O-CD 3.27Å; Q62-P64 WeakPolarHBondContact O-CD 3.12Å; P64-C76 CarbonylContact O-C 3.51Å; P64-C76 WeakPolarHBondContact O-CA 3.45Å; P64-C76 PolarHBondContact O-SG 2.94Å; P64-C76 VanDerWaalsContact O-SG 3.34Å; P64-F77 PolarHBondContact O-N 2.85Å; P64-A78 HydrophobicContact CB-CB 3.59Å
65L86.4Confident84.3Confident11 Ų1146.9 Ų46.96%0.05822%0.222CC..EExtended strand (participates in β ladder)trans-127.4133.1-171.5-72.1179.8000112.4H6 V7 L39 H63 V74 C76 V83H6-L65 VanDerWaalsContact O-CD1 3.25Å; H6-L65 WeakPolarHBondContact O-CD1 3.1Å; V7-L65 HydrophobicContact CG2-CD1 4.5Å; V7-L65 HydrophobicContact CG2-CD2 4.48Å; L39-L65 HydrophobicContact CB-CB 4.08Å; L39-L65 HydrophobicContact CD1-CB 4.27Å; L39-L65 PolarHBondContact N-O 3.4Å; H63-L65 VanDerWaalsContact C-N 3.28Å; H63-L65 PolarHBondContact O-N 3.27Å; L65-V74 HydrophobicContact CD2-CG1 4.2Å; L65-C76 HydrophobicContact CD2-CB 3.73Å; L65-V83 HydrophobicContact CD2-CG2 3.87Å
66A86.7Confident84.4Confident0 Ų044.5 Ų44.50%021%0.21CC..EExtended strand (participates in β ladder)trans-133.4150.5172.700000110.5W36 A37 F54 V74 F75 F77W36-A66 HydrophobicContact CB-CB 4.02Å; W36-A66 HydrophobicContact CE3-CB 3.91Å; A37-A66 WeakPolarHBondContact O-CA 3.26Å; F54-A66 HydrophobicContact CD1-CB 4.04Å; F54-A66 HydrophobicContact CD2-CB 3.99Å; F54-A66 HydrophobicContact CE1-CB 3.59Å; F54-A66 HydrophobicContact CE2-CB 3.5Å; F54-A66 HydrophobicContact CG-CB 4.26Å; F54-A66 HydrophobicContact CZ-CB 3.31Å; A66-V74 CarbonylContact O-C 3.57Å; A66-V74 VanDerWaalsContact O-CA 3.27Å; A66-V74 WeakPolarHBondContact O-CA 3.42Å; A66-V74 WeakPolarHBondContact O-CG1 3.4Å; A66-F75 PolarHBondContact N-O 3.09Å; A66-F75 VanDerWaalsContact N-O 3.13Å; A66-F75 PolarHBondContact O-N 2.97Å; A66-F77 HydrophobicContact CB-CD2 4.4Å; A66-F77 HydrophobicContact CB-CE2 3.79Å
67M86.3Confident84Confident0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-116.7132.4168.6-178.5178.5-7600109.4I18 W36 A37 L39 V69 L72 D73 V74 L92 L95 R96 L99I18-M67 HydrophobicContact CD1-CB 3.85Å; I18-M67 HydrophobicContact CD1-CG 4.25Å; I18-M67 HydrophobicContact CD1-SD 3.87Å; W36-M67 WeakPolarHBondContact CA-O 3.42Å; A37-M67 PolarHBondContact N-O 2.93Å; A37-M67 PolarHBondContact O-N 3.22Å; L39-M67 HydrophobicContact CD1-CB 4.32Å; L39-M67 HydrophobicContact CD2-CB 3.85Å; L39-M67 HydrophobicContact CG-CB 4.22Å; M67-V69 PolarHBondContact O-N 3.07Å; M67-L72 HydrophobicContact SD-CB 4.41Å; M67-L72 HydrophobicContact SD-CD2 4.33Å; M67-D73 CarbonylContact C-O 3.47Å; M67-D73 VanDerWaalsContact CA-O 3.27Å; M67-D73 WeakPolarHBondContact CA-O 3.42Å; M67-V74 HydrophobicContact CB-CG2 4.09Å; M67-V74 HydrophobicContact CE-CG2 3.41Å; M67-V74 VanDerWaalsContact CE-CG2 3.41Å; M67-V74 HydrophobicContact CG-CG2 4.05Å; M67-L92 HydrophobicContact CE-CD2 3.79Å; M67-L95 HydrophobicContact CE-CD2 3.8Å; M67-L95 HydrophobicContact CE-CG 4.13Å; M67-L95 HydrophobicContact SD-CD2 4.19Å; M67-L95 HydrophobicContact SD-CG 4.27Å; M67-R96 HydrophobicContact CE-CG 3.99Å; M67-L99 HydrophobicContact SD-CD1 3.6Å; M67-L99 VanDerWaalsContact SD-CD1 3.6Å
68E86.3Confident83.6Confident26 Ų2641.9 Ų41.912%0.12121%0.207CC..EExtended strand (participates in β ladder)trans-70.5127.5170.5-158.5-155.2-132.300109.2S34 V35 W36 R70 E71 L72 D73S34-E68 WeakPolarHBondContact CA-OE1 3.05Å; S34-E68 WeakPolarHBondContact CB-OE1 3.17Å; S34-E68 PolarHBondContact OG-OE1 2.9Å; V35-E68 WeakPolarHBondContact O-CA 3.35Å; V35-E68 WeakPolarHBondContact O-CG 3.41Å; W36-E68 HydrophobicContact CD2-CB 3.96Å; W36-E68 HydrophobicContact CD2-CG 4.27Å; W36-E68 HydrophobicContact CE3-CB 3.98Å; W36-E68 VanDerWaalsContact CE3-N 3.35Å; W36-E68 HydrophobicContact CH2-CB 3.99Å; W36-E68 HydrophobicContact CZ2-CB 3.95Å; W36-E68 HydrophobicContact CZ2-CG 4.22Å; W36-E68 HydrophobicContact CZ3-CB 3.99Å; E68-R70 PolarHBondContact O-N 3.4Å; E68-E71 PolarHBondContact OE2-N 2.77Å; E68-L72 VanDerWaalsContact O-CA 3.29Å; E68-L72 WeakPolarHBondContact O-CA 3.47Å; E68-L72 PolarHBondContact O-N 2.77Å; E68-L72 VanDerWaalsContact O-N 3.09Å; E68-D73 PolarHBondContact N-O 2.76Å
69V81.4Confident83Confident6 Ų643.9 Ų43.94%0.03622%0.224CC..THydrogen-bonded Turntrans-70.9-13-172.9-57.20000113.8W24 V35 A37 M67W24-V69 HydrophobicContact CB-CG2 4.01Å; W24-V69 HydrophobicContact CD2-CB 3.69Å; W24-V69 HydrophobicContact CD2-CG1 4.22Å; W24-V69 HydrophobicContact CD2-CG2 3.83Å; W24-V69 HydrophobicContact CE3-CB 4.05Å; W24-V69 HydrophobicContact CE3-CG2 3.97Å; W24-V69 HydrophobicContact CG-CB 3.95Å; W24-V69 HydrophobicContact CG-CG1 4.06Å; W24-V69 HydrophobicContact CG-CG2 3.87Å; W24-V69 HydrophobicContact CZ2-CB 4.37Å; V35-V69 HydrophobicContact CB-CG2 4.03Å; V35-V69 HydrophobicContact CG1-CG2 4.16Å; V35-V69 PolarHBondContact O-N 2.92Å; A37-V69 HydrophobicContact CB-CG1 3.86Å; M67-V69 PolarHBondContact O-N 3.07Å
70R73.4Confident81.9Confident103 Ų10340.3 Ų40.339%0.38922%0.219SC..THydrogen-bonded Turntrans-96.9-70.3178.1-68.7-159.8-82.1-143.913.9111.6T32 D33 E68 L72 R103T32-R70 VanDerWaalsContact O-CZ 3.28Å; T32-R70 PolarHBondContact O-NH1 2.87Å; T32-R70 PolarHBondContact O-NH2 3.25Å; D33-R70 IonicContact OD1-CZ 2.83Å; D33-R70 IonicContact OD1-NH1 2.99Å; D33-R70 IonicContact OD1-NH2 3.17Å; D33-R70 PolarHBondContact OD1-NH2 3.28Å; E68-R70 PolarHBondContact O-N 3.4Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 3.13Å; R70-R103 PolarHBondContact O-NH1 3.38Å
71E71.6Confident80.6Confident96 Ų9636.4 Ų36.445%0.44920%0.203SC..THydrogen-bonded Turntrans-82.5-2.8-174.9-60.3-50.6103.600114.4E68 D73 R103E68-E71 PolarHBondContact OE2-N 2.77Å; E71-D73 PolarHBondContact O-N 3Å; E71-R103 IonicContact OE1-CZ 2.66Å; E71-R103 IonicContact OE1-NH1 2.71Å; E71-R103 PolarHBondContact OE1-NH1 3.34Å; E71-R103 IonicContact OE1-NH2 2.7Å; E71-R103 PolarHBondContact OE1-NH2 2.82Å
72L79.2Confident79.8Confident17 Ų1737.5 Ų37.59%0.08920%0.202CC..  trans62.917.4175.8-45.8178000114.1M67 E68 R70 R96 L99 S100M67-L72 HydrophobicContact SD-CB 4.41Å; M67-L72 HydrophobicContact SD-CD2 4.33Å; E68-L72 VanDerWaalsContact O-CA 3.29Å; E68-L72 WeakPolarHBondContact O-CA 3.47Å; E68-L72 PolarHBondContact O-N 2.77Å; E68-L72 VanDerWaalsContact O-N 3.09Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 3.13Å; L72-R96 HydrophobicContact CB-CG 4.09Å; L72-R96 HydrophobicContact CD1-CB 4.41Å; L72-R96 PolarHBondContact O-NE 3.32Å; L72-R96 PolarHBondContact O-NH2 3.44Å; L72-L99 HydrophobicContact CD1-CB 4.36Å; L72-L99 HydrophobicContact CD2-CB 3.83Å; L72-L99 HydrophobicContact CD2-CD1 3.91Å; L72-S100 WeakPolarHBondContact CD1-OG 3.49Å
73D79.3Confident79Confident40 Ų4032.1 Ų32.121%0.21418%0.178CC..  trans-65.9143.5167.7-75.1-38.5000110.4M67 E68 E71 Y82M67-D73 CarbonylContact C-O 3.47Å; M67-D73 VanDerWaalsContact CA-O 3.27Å; M67-D73 WeakPolarHBondContact CA-O 3.42Å; E68-D73 PolarHBondContact N-O 2.76Å; E71-D73 PolarHBondContact O-N 3Å; D73-Y82 HydrophobicContact CB-CD1 4.18Å; D73-Y82 HydrophobicContact CB-CE1 4.02Å
74V83.1Confident77.5Confident1 Ų134.2 Ų34.21%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-116128.9179.9177.90000107.7L39 L65 A66 M67 Y82 V83 L92L39-V74 HydrophobicContact CD1-CG1 3.98Å; L39-V74 HydrophobicContact CD1-CG2 4.39Å; L65-V74 HydrophobicContact CD2-CG1 4.2Å; A66-V74 CarbonylContact O-C 3.57Å; A66-V74 VanDerWaalsContact O-CA 3.27Å; A66-V74 WeakPolarHBondContact O-CA 3.42Å; A66-V74 WeakPolarHBondContact O-CG1 3.4Å; M67-V74 HydrophobicContact CB-CG2 4.09Å; M67-V74 HydrophobicContact CE-CG2 3.41Å; M67-V74 VanDerWaalsContact CE-CG2 3.41Å; M67-V74 HydrophobicContact CG-CG2 4.05Å; V74-Y82 WeakPolarHBondContact O-CA 3.33Å; V74-V83 HydrophobicContact CB-CB 3.93Å; V74-V83 HydrophobicContact CG1-CB 3.74Å; V74-V83 HydrophobicContact CG1-CG1 4.28Å; V74-V83 HydrophobicContact CG1-CG2 3.97Å; V74-V83 PolarHBondContact O-N 3.33Å; V74-L92 HydrophobicContact CG2-CD1 4.37Å; V74-L92 HydrophobicContact CG2-CD2 3.84Å
75F80.1Confident76.4Confident6 Ų637.7 Ų37.73%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-115.5138.3178-170.8-92.9000110.1W36 R48 A66 F77 G80 Y82W36-F75 HydrophobicContact CE3-CB 4.22Å; W36-F75 HydrophobicContact CH2-CB 3.91Å; W36-F75 HydrophobicContact CZ3-CB 3.49Å; W36-F75 VanDerWaalsContact CZ3-CB 3.49Å; R48-F75 VanDerWaalsContact NH1-CZ 3.33Å; A66-F75 PolarHBondContact N-O 3.09Å; A66-F75 VanDerWaalsContact N-O 3.13Å; A66-F75 PolarHBondContact O-N 2.97Å; F75-F77 HydrophobicContact CB-CE2 4.36Å; F75-F77 HydrophobicContact CD1-CD1 4.06Å; F75-F77 AromaticContact CD1-CD2 3.63Å; F75-F77 HydrophobicContact CD1-CD2 3.63Å; F75-F77 HydrophobicContact CD1-CE1 4.02Å; F75-F77 AromaticContact CD1-CE2 3.55Å; F75-F77 HydrophobicContact CD1-CE2 3.55Å; F75-F77 AromaticContact CD1-CG 3.87Å; F75-F77 HydrophobicContact CD1-CG 3.87Å; F75-F77 AromaticContact CD1-CZ 3.76Å; F75-F77 HydrophobicContact CD1-CZ 3.76Å; F75-F77 AromaticContact CE1-CD1 3.91Å; F75-F77 HydrophobicContact CE1-CD1 3.91Å; F75-F77 HydrophobicContact CE1-CD2 4.25Å; F75-F77 HydrophobicContact CE1-CE1 4.06Å; F75-F77 HydrophobicContact CE1-CE2 4.35Å; F75-F77 HydrophobicContact CE1-CG 4.01Å; F75-F77 HydrophobicContact CE1-CZ 4.27Å; F75-F77 HydrophobicContact CG-CE2 4.39Å; F75-G80 VanDerWaalsContact CZ-O 3.24Å; F75-G80 WeakPolarHBondContact CZ-O 3.33Å; F75-Y82 HydrophobicContact CD2-CD1 4.23Å; F75-Y82 AromaticContact CD2-CD2 3.66Å; F75-Y82 HydrophobicContact CD2-CD2 3.66Å; F75-Y82 HydrophobicContact CD2-CE1 4.33Å; F75-Y82 AromaticContact CD2-CE2 3.73Å; F75-Y82 HydrophobicContact CD2-CE2 3.73Å; F75-Y82 AromaticContact CD2-CG 3.92Å; F75-Y82 HydrophobicContact CD2-CG 3.92Å; F75-Y82 AromaticContact CE2-CD2 3.96Å; F75-Y82 HydrophobicContact CE2-CD2 3.96Å; F75-Y82 HydrophobicContact CE2-CE2 4Å
76C83.1Confident75.3Confident1 Ų139.9 Ų39.91%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-106.5102.7175.7-172.80000111.3H6 P64 L65 A78 C79 G80 D81 V83H6-C76 PolarHBondContact ND1-SG 2.89Å; P64-C76 CarbonylContact O-C 3.51Å; P64-C76 WeakPolarHBondContact O-CA 3.45Å; P64-C76 PolarHBondContact O-SG 2.94Å; P64-C76 VanDerWaalsContact O-SG 3.34Å; L65-C76 HydrophobicContact CD2-CB 3.73Å; C76-A78 PolarHBondContact O-N 3.3Å; C76-C79 HydrophobicContact CB-CB 4Å; C76-C79 CarbonylContact O-C 3.53Å; C76-C79 PolarHBondContact O-N 2.99Å; C76-G80 PolarHBondContact O-N 2.94Å; C76-D81 PolarHBondContact N-O 2.84Å; C76-D81 PolarHBondContact O-N 2.87Å; C76-V83 HydrophobicContact CB-CG2 3.79Å
77F78.4Confident74.5Confident21 Ų2140.7 Ų40.79%0.09222%0.223CC..THydrogen-bonded Turntrans-65.2-25.3-179.5-71.9-93.1000113.4R48 F54 L55 F58 P64 A66 F75R48-F77 HydrophobicContact CB-CE1 4.44Å; F54-F77 HydrophobicContact CB-CE1 4.45Å; F54-F77 HydrophobicContact CB-CE2 4.43Å; F54-F77 HydrophobicContact CB-CZ 3.93Å; F54-F77 HydrophobicContact CD1-CD1 4.38Å; F54-F77 AromaticContact CD1-CD2 3.51Å; F54-F77 HydrophobicContact CD1-CD2 3.51Å; F54-F77 HydrophobicContact CD1-CE1 4.06Å; F54-F77 AromaticContact CD1-CE2 3.12Å; F54-F77 HydrophobicContact CD1-CE2 3.12Å; F54-F77 HydrophobicContact CD1-CG 4.15Å; F54-F77 AromaticContact CD1-CZ 3.44Å; F54-F77 HydrophobicContact CD1-CZ 3.44Å; F54-F77 VanDerWaalsContact CD1-CZ 3.44Å; F54-F77 AromaticContact CE1-CD2 3.65Å; F54-F77 HydrophobicContact CE1-CD2 3.65Å; F54-F77 AromaticContact CE1-CE2 3.6Å; F54-F77 HydrophobicContact CE1-CE2 3.6Å; F54-F77 HydrophobicContact CE1-CG 4.46Å; F54-F77 HydrophobicContact CE1-CZ 4.35Å; F54-F77 AromaticContact CG-CE2 3.89Å; F54-F77 HydrophobicContact CG-CE2 3.89Å; F54-F77 AromaticContact CG-CZ 3.9Å; F54-F77 HydrophobicContact CG-CZ 3.9Å; L55-F77 HydrophobicContact CB-CE1 4.48Å; L55-F77 HydrophobicContact CD1-CD1 4.05Å; F58-F77 HydrophobicContact CB-CB 4.05Å; F58-F77 HydrophobicContact CB-CG 4.34Å; F58-F77 HydrophobicContact CD1-CB 3.54Å; F58-F77 HydrophobicContact CD1-CG 4.49Å; F58-F77 HydrophobicContact CD2-CB 4.01Å; F58-F77 HydrophobicContact CE1-CB 3.95Å; F58-F77 HydrophobicContact CE2-CB 4.4Å; F58-F77 HydrophobicContact CG-CB 3.56Å; F58-F77 HydrophobicContact CG-CG 4.37Å; F58-F77 HydrophobicContact CZ-CB 4.36Å; P64-F77 PolarHBondContact O-N 2.85Å; A66-F77 HydrophobicContact CB-CD2 4.4Å; A66-F77 HydrophobicContact CB-CE2 3.79Å; F75-F77 HydrophobicContact CB-CE2 4.36Å; F75-F77 HydrophobicContact CD1-CD1 4.06Å; F75-F77 AromaticContact CD1-CD2 3.63Å; F75-F77 HydrophobicContact CD1-CD2 3.63Å; F75-F77 HydrophobicContact CD1-CE1 4.02Å; F75-F77 AromaticContact CD1-CE2 3.55Å; F75-F77 HydrophobicContact CD1-CE2 3.55Å; F75-F77 AromaticContact CD1-CG 3.87Å; F75-F77 HydrophobicContact CD1-CG 3.87Å; F75-F77 AromaticContact CD1-CZ 3.76Å; F75-F77 HydrophobicContact CD1-CZ 3.76Å; F75-F77 AromaticContact CE1-CD1 3.91Å; F75-F77 HydrophobicContact CE1-CD1 3.91Å; F75-F77 HydrophobicContact CE1-CD2 4.25Å; F75-F77 HydrophobicContact CE1-CE1 4.06Å; F75-F77 HydrophobicContact CE1-CE2 4.35Å; F75-F77 HydrophobicContact CE1-CG 4.01Å; F75-F77 HydrophobicContact CE1-CZ 4.27Å; F75-F77 HydrophobicContact CG-CE2 4.39Å
78A80.8Confident73.2Confident47 Ų4744.9 Ų44.939%0.38826%0.258SS..THydrogen-bonded Turntrans-79.2-20172.100000114.1F58 P64 C76F58-A78 HydrophobicContact CE2-CB 4.15Å; F58-A78 HydrophobicContact CZ-CB 3.82Å; P64-A78 HydrophobicContact CB-CB 3.59Å; C76-A78 PolarHBondContact O-N 3.3Å
79C75.1Confident71.9Confident68 Ų6848.8 Ų48.846%0.45928%0.276SS..THydrogen-bonded Turntrans-100.2-14.2173.3-69.70000113.2H6 C76 D81H6-C79 VanDerWaalsContact CE1-SG 3.55Å; H6-C79 PolarHBondContact ND1-SG 2.93Å; C76-C79 HydrophobicContact CB-CB 4Å; C76-C79 CarbonylContact O-C 3.53Å; C76-C79 PolarHBondContact O-N 2.99Å; C79-D81 PolarHBondContact O-N 2.83Å
80G67.2Low71.3Confident46 Ų4649.4 Ų49.447%0.47428%0.284SS..THydrogen-bonded Turntrans70.58.8-173.300000114.9F75 C76F75-G80 VanDerWaalsContact CZ-O 3.24Å; F75-G80 WeakPolarHBondContact CZ-O 3.33Å; C76-G80 PolarHBondContact O-N 2.94Å
81D61.2Low71.2Confident69 Ų6946.2 Ų46.237%0.36927%0.274SS..EExtended strand (participates in β ladder)trans-137.4162.1-168-154-8.6000112.6C76 C79 R264C76-D81 PolarHBondContact N-O 2.84Å; C76-D81 PolarHBondContact O-N 2.87Å; C79-D81 PolarHBondContact O-N 2.83Å; D81-R264 IonicContact OD2-NH1 3.28Å; D81-R264 PolarHBondContact OD2-NH1 2.9Å; D81-R264 VanDerWaalsContact OD2-NH1 3.13Å
82Y71.7Confident71.4Confident58 Ų5841.7 Ų41.723%0.22725%0.253CS..EExtended strand (participates in β ladder)trans-74141.7177.1-76.6-99.3000112.1W36 D73 V74 F75 L84W36-Y82 AromaticContact CH2-CE1 3.92Å; W36-Y82 HydrophobicContact CH2-CE1 3.92Å; D73-Y82 HydrophobicContact CB-CD1 4.18Å; D73-Y82 HydrophobicContact CB-CE1 4.02Å; V74-Y82 WeakPolarHBondContact O-CA 3.33Å; F75-Y82 HydrophobicContact CD2-CD1 4.23Å; F75-Y82 AromaticContact CD2-CD2 3.66Å; F75-Y82 HydrophobicContact CD2-CD2 3.66Å; F75-Y82 HydrophobicContact CD2-CE1 4.33Å; F75-Y82 AromaticContact CD2-CE2 3.73Å; F75-Y82 HydrophobicContact CD2-CE2 3.73Å; F75-Y82 AromaticContact CD2-CG 3.92Å; F75-Y82 HydrophobicContact CD2-CG 3.92Å; F75-Y82 AromaticContact CE2-CD2 3.96Å; F75-Y82 HydrophobicContact CE2-CD2 3.96Å; F75-Y82 HydrophobicContact CE2-CE2 4Å; Y82-L84 PolarHBondContact O-N 3.48Å
83V72.5Confident71.2Confident6 Ų647.8 Ų47.84%0.03628%0.279CS..  trans-88.685.4174.51780000108.8C4 V7 L65 V74 C76 N85 L92C4-V83 HydrophobicContact CB-CG2 4.09Å; V7-V83 HydrophobicContact CG1-CG1 4.42Å; V7-V83 HydrophobicContact CG2-CB 4.39Å; V7-V83 HydrophobicContact CG2-CG1 3.46Å; V7-V83 VanDerWaalsContact CG2-CG1 3.46Å; V7-V83 HydrophobicContact CG2-CG2 3.96Å; L65-V83 HydrophobicContact CD2-CG2 3.87Å; V74-V83 HydrophobicContact CB-CB 3.93Å; V74-V83 HydrophobicContact CG1-CB 3.74Å; V74-V83 HydrophobicContact CG1-CG1 4.28Å; V74-V83 HydrophobicContact CG1-CG2 3.97Å; V74-V83 PolarHBondContact O-N 3.33Å; C76-V83 HydrophobicContact CB-CG2 3.79Å; V83-N85 VanDerWaalsContact CG1-O 3.32Å; V83-N85 WeakPolarHBondContact CG1-O 3.32Å; V83-L92 HydrophobicContact CG1-CD1 3.92Å
84L59Low70.9Confident71 Ų7151.7 Ų51.737%0.37230%0.299SS..  trans-73.9-27.9-179.9-56.3179.6000113Y82Y82-L84 PolarHBondContact O-N 3.48Å
85N61.8Low70.6Confident99 Ų9952.4 Ų52.453%0.52930%0.303SS..SBendtrans-101.1134.6-180-70.2-69.4000111.4V83V83-N85 VanDerWaalsContact CG1-O 3.32Å; V83-N85 WeakPolarHBondContact CG1-O 3.32Å
86D63.8Low70.6Confident56 Ų5654.5 Ų54.530%0.29931%0.31SS..PPolyproline II helixtrans-62.8157.8168.4-65.6-46.1000111.3L92 K93 R96D86-L92 HydrophobicContact CB-CB 4.37Å; D86-L92 VanDerWaalsContact OD1-CB 3.26Å; D86-L92 WeakPolarHBondContact OD1-CB 3.41Å; D86-K93 PolarHBondContact OD1-N 3.26Å; D86-K93 WeakPolarHBondContact OD2-CB 3.36Å; D86-R96 IonicContact OD1-CZ 3.56Å; D86-R96 IonicContact OD1-NH1 2.83Å; D86-R96 PolarHBondContact OD1-NH1 3.46Å
87N69.1Low70.1Confident17 Ų1756.3 Ų56.39%0.09133%0.329CS..PPolyproline II helixtrans-67.4157.3169.664.3-9.7000111.2V7 E89 G90 D91V7-N87 HydrophobicContact CB-CB 4.41Å; V7-N87 HydrophobicContact CG1-CB 3.78Å; N87-E89 PolarHBondContact O-N 3.28Å; N87-G90 PolarHBondContact O-N 3.02Å; N87-G90 PolarHBondContact OD1-N 3.14Å; N87-G90 VanDerWaalsContact OD1-N 3.08Å; N87-D91 PolarHBondContact ND2-OD2 3.32Å; N87-D91 PolarHBondContact OD1-N 3.34Å
88A59.5Low69.8Low89 Ų8957.7 Ų57.774%0.73634%0.344SS*.THydrogen-bonded Turntrans-61.5-16.9-179.200000114
89E59.8Low69.4Low108 Ų10855.5 Ų55.551%0.50533%0.326SS..THydrogen-bonded Turntrans-87.6-16.2176-58.4-168.7131.300113.2R9 N87R9-E89 WeakPolarHBondContact CB-OE2 3.47Å; R9-E89 VanDerWaalsContact CD-OE2 3.25Å; R9-E89 WeakPolarHBondContact CD-OE2 3.4Å; R9-E89 WeakPolarHBondContact CG-OE2 3.32Å; N87-E89 PolarHBondContact O-N 3.28Å
90G67.2Low69.2Low19 Ų1954.9 Ų54.920%0.19632%0.322CS..  trans831017700000115.6N87 L92 K93 L94N87-G90 PolarHBondContact O-N 3.02Å; N87-G90 PolarHBondContact OD1-N 3.14Å; N87-G90 VanDerWaalsContact OD1-N 3.08Å; G90-L92 VanDerWaalsContact C-N 3.33Å; G90-L92 PolarHBondContact O-N 3.04Å; G90-K93 WeakPolarHBondContact O-CB 3.25Å; G90-K93 PolarHBondContact O-N 2.95Å; G90-K93 VanDerWaalsContact O-N 3.12Å; G90-L94 WeakPolarHBondContact O-CG 3.27Å; G90-L94 PolarHBondContact O-N 3.06Å
91D72.7Confident69Low36 Ų3657.2 Ų57.219%0.19333%0.327CS..Hα-helixtrans-58.3-42.8-177.2-57.9-35.7000112.2R9 L10 N87 K93 L94 L95R9-D91 WeakPolarHBondContact CA-OD2 3.38Å; L10-D91 HydrophobicContact CB-CB 4.05Å; L10-D91 HydrophobicContact CD1-CB 4.04Å; L10-D91 HydrophobicContact CG-CB 4.19Å; L10-D91 PolarHBondContact N-OD2 2.97Å; N87-D91 PolarHBondContact ND2-OD2 3.32Å; N87-D91 PolarHBondContact OD1-N 3.34Å; D91-K93 VanDerWaalsContact C-N 3.33Å; D91-K93 PolarHBondContact O-N 3.22Å; D91-L94 PolarHBondContact O-N 2.86Å; D91-L95 VanDerWaalsContact O-CB 3.32Å; D91-L95 WeakPolarHBondContact O-CB 3.22Å; D91-L95 PolarHBondContact O-N 3.46Å
92L74.4Confident68.9Low0 Ų057.7 Ų57.70%033%0.333CS..Hα-helixtrans-62.9-39.9177.7-81.2-177.5000111.8V7 L10 L39 M67 V74 V83 D86 G90 L95 R96V7-L92 HydrophobicContact CG1-CD1 3.57Å; V7-L92 HydrophobicContact CG1-CG 4.23Å; L10-L92 HydrophobicContact CD1-CD2 3.63Å; L10-L92 HydrophobicContact CD1-CG 4.03Å; L39-L92 HydrophobicContact CD1-CD2 3.81Å; M67-L92 HydrophobicContact CE-CD2 3.79Å; V74-L92 HydrophobicContact CG2-CD1 4.37Å; V74-L92 HydrophobicContact CG2-CD2 3.84Å; V83-L92 HydrophobicContact CG1-CD1 3.92Å; D86-L92 HydrophobicContact CB-CB 4.37Å; D86-L92 VanDerWaalsContact OD1-CB 3.26Å; D86-L92 WeakPolarHBondContact OD1-CB 3.41Å; G90-L92 VanDerWaalsContact C-N 3.33Å; G90-L92 PolarHBondContact O-N 3.04Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-R96 WeakPolarHBondContact O-CB 3.49Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 3.19Å
93K74.9Confident68.2Low146 Ų14661.3 Ų61.364%0.63535%0.346SS*.Hα-helixtrans-64.1-42.9176-163.2169.6-178.2168.90111.7D86 G90 D91 G97D86-K93 PolarHBondContact OD1-N 3.26Å; D86-K93 WeakPolarHBondContact OD2-CB 3.36Å; G90-K93 WeakPolarHBondContact O-CB 3.25Å; G90-K93 PolarHBondContact O-N 2.95Å; G90-K93 VanDerWaalsContact O-N 3.12Å; D91-K93 VanDerWaalsContact C-N 3.33Å; D91-K93 PolarHBondContact O-N 3.22Å; K93-G97 PolarHBondContact O-N 2.9Å
94L73.8Confident66.8Low122 Ų12265.2 Ų65.264%0.63937%0.374SS*.Hα-helixtrans-65.8-42.7176.8-69.1171.4000111.7G90 D91 G97 A98G90-L94 WeakPolarHBondContact O-CG 3.27Å; G90-L94 PolarHBondContact O-N 3.06Å; D91-L94 PolarHBondContact O-N 2.86Å; L94-G97 PolarHBondContact O-N 3.02Å; L94-A98 PolarHBondContact O-N 3.2Å
95L76.9Confident65.9Low16 Ų1667.8 Ų67.88%0.08440%0.395CS..Hα-helixtrans-63-46.4176.3-179.258000111.7L10 L12 I18 L19 L39 M67 D91 L92 G97 A98 L99L10-L95 HydrophobicContact CD1-CD2 4.37Å; L12-L95 HydrophobicContact CD1-CD1 3.61Å; L12-L95 HydrophobicContact CD1-CD2 3.87Å; L12-L95 HydrophobicContact CD1-CG 4.37Å; I18-L95 HydrophobicContact CD1-CD2 4.23Å; L19-L95 HydrophobicContact CD2-CD1 4.06Å; L39-L95 HydrophobicContact CD2-CD2 3.78Å; M67-L95 HydrophobicContact CE-CD2 3.8Å; M67-L95 HydrophobicContact CE-CG 4.13Å; M67-L95 HydrophobicContact SD-CD2 4.19Å; M67-L95 HydrophobicContact SD-CG 4.27Å; D91-L95 VanDerWaalsContact O-CB 3.32Å; D91-L95 WeakPolarHBondContact O-CB 3.22Å; D91-L95 PolarHBondContact O-N 3.46Å; L92-L95 PolarHBondContact O-N 2.84Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 2.96Å; L95-A98 PolarHBondContact O-N 3.44Å; L95-L99 HydrophobicContact CD1-CD1 3.89Å; L95-L99 HydrophobicContact CD1-CG 4.15Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 3.28Å
96R79.8Confident65Low50 Ų5066.3 Ų66.319%0.18940%0.403CS..Hα-helixtrans-57.7-41.8173.8-75168.8167.9154.2-10112M67 L72 D86 L92 S100M67-R96 HydrophobicContact CE-CG 3.99Å; L72-R96 HydrophobicContact CB-CG 4.09Å; L72-R96 HydrophobicContact CD1-CB 4.41Å; L72-R96 PolarHBondContact O-NE 3.32Å; L72-R96 PolarHBondContact O-NH2 3.44Å; D86-R96 IonicContact OD1-CZ 3.56Å; D86-R96 IonicContact OD1-NH1 2.83Å; D86-R96 PolarHBondContact OD1-NH1 3.46Å; L92-R96 WeakPolarHBondContact O-CB 3.49Å; L92-R96 WeakPolarHBondContact O-CG 3.41Å; L92-R96 PolarHBondContact O-N 3.19Å; R96-S100 VanDerWaalsContact O-CB 3.28Å; R96-S100 WeakPolarHBondContact O-CB 3.31Å; R96-S100 PolarHBondContact O-N 3.02Å; R96-S100 PolarHBondContact O-OG 3.45Å
97G72.9Confident63.5Low39 Ų3975.6 Ų75.640%0.40243%0.434SS..Hα-helixtrans-65.8-41.3175.400000113.7K93 L94 L95 T101K93-G97 PolarHBondContact O-N 2.9Å; L94-G97 PolarHBondContact O-N 3.02Å; L95-G97 VanDerWaalsContact C-N 3.31Å; L95-G97 PolarHBondContact O-N 2.96Å; G97-T101 PolarHBondContact O-N 3.44Å; G97-T101 PolarHBondContact O-OG1 3.25Å
98A72Confident61.7Low49 Ų4985.6 Ų85.641%0.40547%0.47SS..Hα-helixtrans-63.8-48.917600000111.5L94 L95 T101 V102L94-A98 PolarHBondContact O-N 3.2Å; L95-A98 PolarHBondContact O-N 3.44Å; A98-T101 WeakPolarHBondContact O-CB 3.33Å; A98-T101 PolarHBondContact O-N 3Å; A98-T101 VanDerWaalsContact O-N 3.14Å; A98-V102 PolarHBondContact O-N 2.86Å
99L73.3Confident60.1Low2 Ų286.8 Ų86.81%0.0147%0.473CS..Hα-helixtrans-66-39-180-66.1170.8000112.4I18 L19 W24 M67 L72 L95 T101 V102 R103I18-L99 HydrophobicContact CD1-CD1 3.98Å; I18-L99 HydrophobicContact CG1-CD1 3.97Å; I18-L99 HydrophobicContact CG1-CD2 4.39Å; I18-L99 WeakPolarHBondContact O-CD2 3.25Å; L19-L99 HydrophobicContact CD2-CD2 4.18Å; W24-L99 HydrophobicContact CZ2-CD2 4.24Å; M67-L99 HydrophobicContact SD-CD1 3.6Å; M67-L99 VanDerWaalsContact SD-CD1 3.6Å; L72-L99 HydrophobicContact CD1-CB 4.36Å; L72-L99 HydrophobicContact CD2-CB 3.83Å; L72-L99 HydrophobicContact CD2-CD1 3.91Å; L95-L99 HydrophobicContact CD1-CD1 3.89Å; L95-L99 HydrophobicContact CD1-CG 4.15Å; L95-L99 HydrophobicContact CG-CD1 3.94Å; L95-L99 WeakPolarHBondContact O-CG 3.47Å; L95-L99 PolarHBondContact O-N 3.28Å; L99-T101 PolarHBondContact O-N 2.82Å; L99-V102 PolarHBondContact O-N 3.31Å; L99-V102 VanDerWaalsContact O-N 3.09Å; L99-R103 PolarHBondContact O-N 2.97Å
100S68.9Low58.7Low54 Ų5489 Ų8938%0.37849%0.487SS..Hα-helixtrans-58-32.5172.5-63.50000113.1L72 R96 S104L72-S100 WeakPolarHBondContact CD1-OG 3.49Å; R96-S100 VanDerWaalsContact O-CB 3.28Å; R96-S100 WeakPolarHBondContact O-CB 3.31Å; R96-S100 PolarHBondContact O-N 3.02Å; R96-S100 PolarHBondContact O-OG 3.45Å; S100-S104 PolarHBondContact O-OG 2.87Å
101T63Low56.8Low95 Ų95100.2 Ų100.258%0.58352%0.524SS*.Hα-helixtrans-74.5-36.2176.9-540000111.5G97 A98 L99 R103 S104G97-T101 PolarHBondContact O-N 3.44Å; G97-T101 PolarHBondContact O-OG1 3.25Å; A98-T101 WeakPolarHBondContact O-CB 3.33Å; A98-T101 PolarHBondContact O-N 3Å; A98-T101 VanDerWaalsContact O-N 3.14Å; L99-T101 PolarHBondContact O-N 2.82Å; T101-R103 VanDerWaalsContact C-N 3.33Å; T101-S104 PolarHBondContact O-N 3.3Å
102V59.6Low54.7Low79 Ų79104 Ų10448%0.47955%0.553SS.*Hα-helixtrans-67.8-33.1173.7177.70000111.7P21 A98 L99 S104P21-V102 HydrophobicContact CG-CG1 3.63Å; A98-V102 PolarHBondContact O-N 2.86Å; L99-V102 PolarHBondContact O-N 3.31Å; L99-V102 VanDerWaalsContact O-N 3.09Å; V102-S104 PolarHBondContact O-N 3.49Å
103R57Low52.6Low135 Ų135109.5 Ų109.551%0.50959%0.592SS.*THydrogen-bonded Turntrans-69.1-6.9177.2-175.3173.3159.1168.1-3114.3R70 E71 L99 T101 P105R70-R103 PolarHBondContact O-NH1 3.38Å; E71-R103 IonicContact OE1-CZ 2.66Å; E71-R103 IonicContact OE1-NH1 2.71Å; E71-R103 PolarHBondContact OE1-NH1 3.34Å; E71-R103 IonicContact OE1-NH2 2.7Å; E71-R103 PolarHBondContact OE1-NH2 2.82Å; L99-R103 PolarHBondContact O-N 2.97Å; T101-R103 VanDerWaalsContact C-N 3.33Å; R103-P105 VanDerWaalsContact C-CD 3.44Å; R103-P105 WeakPolarHBondContact O-CD 3.11Å
104S43.2Very low50.4Low88 Ų88109.7 Ų109.762%0.61561%0.605SS**  trans-116.770-168.8-59.90000115.6S100 T101 V102 G106S100-S104 PolarHBondContact O-OG 2.87Å; T101-S104 PolarHBondContact O-N 3.3Å; V102-S104 PolarHBondContact O-N 3.49Å; S104-G106 PolarHBondContact O-N 2.87Å
105P40.3Very low48.2Very low125 Ų125107.8 Ų107.881%0.81262%0.615SS**  trans-76.888.6170.432.9-33.3000111.2R103R103-P105 VanDerWaalsContact C-CD 3.44Å; R103-P105 WeakPolarHBondContact O-CD 3.11Å
106G43Very low45.8Very low68 Ų68111.1 Ų111.170%0.70165%0.653SS**SBendtrans101.891.3161.900000116.8S104S104-G106 PolarHBondContact O-N 2.87Å
107R32.5Very low43.2Very low251 Ų251116.3 Ų116.395%0.94768%0.684SS**  trans-174.271.1137.2-102.5176.4-162.2-97.52.2110
108R30.5Very low41Very low227 Ų227120.3 Ų120.386%0.85771%0.705SS**  trans-111.280.6153.3-68.8-168-163.5-175.56.2107.9L110R108-L110 PolarHBondContact O-N 2.87Å
109S27.5Very low38.8Very low114 Ų114121.5 Ų121.580%0.79772%0.722SS**  trans-78.9111.6158.6-175.50000106.4
110L29.7Very low37.5Very low153 Ų153126.9 Ų126.980%0.80176%0.757SS**  trans-66.7131.5163.6-82.598.3000107.3R108 S112R108-L110 PolarHBondContact O-N 2.87Å; L110-S112 PolarHBondContact O-N 2.83Å
111R27.6Very low35.5Very low256 Ų256136.6 Ų136.697%0.96679%0.786SS**  trans-68.5113164.4-70.9-177.8175.6-168-2108.2
112S27.9Very low33.9Very low114 Ų114138.3 Ų138.380%0.79780%0.796SS**  trans-128.1132.4149.859.20000108.2L110L110-S112 PolarHBondContact O-N 2.83Å
113S30Very low32.4Very low117 Ų117142.8 Ų142.882%0.81882%0.816SS**  trans-71.1135.8-174.3-40.40000112.3
114T29.1Very low31.2Very low149 Ų149145.5 Ų145.591%0.91483%0.834SS**  trans-170.9156131.929.30000108.8
115G27.2Very low30.4Very low83 Ų83144.8 Ų144.886%0.85684%0.842SS**  trans-86.3178.3-172.900000114.9
116G26.3Very low30.5Very low85 Ų85142.7 Ų142.788%0.87684%0.843SS**  trans154.8127.5172.300000113.5
117D26.6Very low30Very low159 Ų159143.8 Ų143.885%0.8584%0.837SS**  trans-79.7173-172.1-108.8-45.7000116.5
118C25.7Very low30.3Very low123 Ų123139.3 Ų139.383%0.83183%0.827SS**  trans74.1128149.7-76.40000123.3
119G26.7Very low30.9Very low74 Ų74133.3 Ų133.376%0.76382%0.818SS**  102.8131.2129.800000119
120P45.5Very low31.5Very low116 Ų116131.5 Ų131.575%0.75381%0.809SS**  trans-111.1138.9-178.937.8-28.6000114.7
121W26Very low31.8Very low258 Ų258129.4 Ų129.498%0.97780%0.797SS**  trans-147.4154.5162.4-81.7101.9000113.2
122V30.9Very low32.4Very low131 Ų131122.4 Ų122.479%0.79478%0.775SS**  trans-110.3136.6-180171.40000109.5
123L27.5Very low32.9Very low172 Ų172121.8 Ų121.890%0.90176%0.762SS**  trans-159.8154.6147.1-147.765.4000113.1
124E31.2Very low33.2Very low192 Ų192119.2 Ų119.290%0.89775%0.748SS**  trans-76.2165.5177.9-60-174.2111.500114.1
125G27Very low33.6Very low74 Ų74115.6 Ų115.676%0.76372%0.723SS**  trans163.994.2167.400000114.2
126G41.4Very low34.1Very low81 Ų81118.4 Ų118.484%0.83571%0.707SS**PPolyproline II helixtrans-82.6129.9175.700000113.1
127P34.3Very low34.6Very low90 Ų90120.3 Ų120.358%0.58469%0.693SS**PPolyproline II helixtrans-93.2145.6-175.333.7-33.6000115.5M131P127-M131 HydrophobicContact CB-CE 3.84Å; P127-M131 HydrophobicContact CG-CE 4.08Å
128Q37.8Very low35.3Very low157 Ų157121.9 Ų121.973%0.73469%0.687SS**PPolyproline II helixtrans-59.9159.6-170.4-78.3-173-600117.8A130Q128-A130 PolarHBondContact O-N 3.17Å
129P43.2Very low36.1Very low102 Ų102123.9 Ų123.966%0.66268%0.677SS**Hα-helixtrans-66.8-23.3-174.224.5-35000116.4M131 Q132 L133P129-M131 PolarHBondContact O-N 3.17Å; P129-Q132 WeakPolarHBondContact O-CB 3.15Å; P129-Q132 PolarHBondContact O-N 2.99Å; P129-L133 PolarHBondContact O-N 2.84Å
130A39.3Very low36.7Very low75 Ų75128.1 Ų128.162%0.6268%0.675SS**Hα-helixtrans-61.9-41.5-178.300000112.8Q128 Q132 L133 A134Q128-A130 PolarHBondContact O-N 3.17Å; A130-Q132 VanDerWaalsContact C-N 3.28Å; A130-Q132 PolarHBondContact O-N 3.3Å; A130-L133 PolarHBondContact O-N 3.38Å; A130-A134 PolarHBondContact O-N 3.31Å
131M36.8Very low36.5Very low109 Ų109125.3 Ų125.354%0.53766%0.661SS.*Hα-helixtrans-65.8-31.5178.2-173.216863.800112.1P127 P129 L133 L135P127-M131 HydrophobicContact CB-CE 3.84Å; P127-M131 HydrophobicContact CG-CE 4.08Å; P129-M131 PolarHBondContact O-N 3.17Å; M131-L133 VanDerWaalsContact C-N 3.35Å; M131-L135 HydrophobicContact CG-CD1 4.14Å; M131-L135 WeakPolarHBondContact O-CB 3.5Å; M131-L135 VanDerWaalsContact O-CG 3.3Å; M131-L135 WeakPolarHBondContact O-CG 3.24Å; M131-L135 PolarHBondContact O-N 2.94Å
132Q39Very low37.5Very low110 Ų110118.4 Ų118.451%0.51464%0.643SS.*Hα-helixtrans-68.3-34.1176.6-57.6-170.91700112.1P129 A130 R136P129-Q132 WeakPolarHBondContact O-CB 3.15Å; P129-Q132 PolarHBondContact O-N 2.99Å; A130-Q132 VanDerWaalsContact C-N 3.28Å; A130-Q132 PolarHBondContact O-N 3.3Å; Q132-R136 WeakPolarHBondContact O-CB 3.42Å; Q132-R136 VanDerWaalsContact O-CG 3.29Å; Q132-R136 WeakPolarHBondContact O-CG 3.26Å; Q132-R136 PolarHBondContact O-N 3.14Å
133L39.4Very low38.2Very low100 Ų100118 Ų11852%0.52464%0.636SS.*Hα-helixtrans-70.9-44.1177.4-166.664.5000111.5P129 A130 M131 L135 R136 H137P129-L133 PolarHBondContact O-N 2.84Å; A130-L133 PolarHBondContact O-N 3.38Å; M131-L133 VanDerWaalsContact C-N 3.35Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 2.69Å; L133-R136 WeakPolarHBondContact O-CB 3.24Å; L133-R136 PolarHBondContact O-N 3.23Å; L133-R136 VanDerWaalsContact O-N 3.11Å; L133-H137 PolarHBondContact O-CD2 3.24Å; L133-H137 PolarHBondContact O-N 2.85Å
134A36.1Very low38.9Very low63 Ų63111.3 Ų111.352%0.52161%0.608SS.*Hα-helixtrans-59.6-42.3173.500000112.1A130 H137 R138A130-A134 PolarHBondContact O-N 3.31Å; A134-H137 PolarHBondContact O-N 2.8Å; A134-R138 PolarHBondContact O-N 2.93Å
135L38.6Very low39.7Very low73 Ų73109.1 Ų109.138%0.38260%0.595SS.*Hα-helixtrans-65.6-37.1173.4-73.2169.1000112.5M131 L133 R139M131-L135 HydrophobicContact CG-CD1 4.14Å; M131-L135 WeakPolarHBondContact O-CB 3.5Å; M131-L135 VanDerWaalsContact O-CG 3.3Å; M131-L135 WeakPolarHBondContact O-CG 3.24Å; M131-L135 PolarHBondContact O-N 2.94Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 2.69Å; L135-R139 VanDerWaalsContact O-CB 3.3Å; L135-R139 WeakPolarHBondContact O-CB 3.48Å; L135-R139 WeakPolarHBondContact O-CD 3.22Å; L135-R139 WeakPolarHBondContact O-CG 3.48Å; L135-R139 PolarHBondContact O-N 3.4Å
136R37.9Very low40.8Very low142 Ų142112.5 Ų112.554%0.53659%0.593SS.*Hα-helixtrans-61.9-43173.2-81.6173.2174.8-173.50.5112Q132 L133 R139 K140Q132-R136 WeakPolarHBondContact O-CB 3.42Å; Q132-R136 VanDerWaalsContact O-CG 3.29Å; Q132-R136 WeakPolarHBondContact O-CG 3.26Å; Q132-R136 PolarHBondContact O-N 3.14Å; L133-R136 WeakPolarHBondContact O-CB 3.24Å; L133-R136 PolarHBondContact O-N 3.23Å; L133-R136 VanDerWaalsContact O-N 3.11Å; R136-R139 PolarHBondContact O-N 2.8Å; R136-K140 PolarHBondContact O-N 3.22Å
137H36.8Very low41.2Very low126 Ų126111.3 Ų111.358%0.58357%0.568SS**Hα-helixtrans-67.8-43.9177.1-82.8-100.9000112.3L133 A134 R139 K140 A141L133-H137 PolarHBondContact O-CD2 3.24Å; L133-H137 PolarHBondContact O-N 2.85Å; A134-H137 PolarHBondContact O-N 2.8Å; H137-R139 VanDerWaalsContact C-N 3.33Å; H137-R139 PolarHBondContact O-N 3.04Å; H137-K140 PolarHBondContact O-N 3.45Å; H137-A141 WeakPolarHBondContact O-CB 3.46Å; H137-A141 PolarHBondContact O-N 2.77Å
138R39.6Very low42Very low192 Ų192113.9 Ų113.973%0.72557%0.572SS**Hα-helixtrans-59.7-40.1171.6-97.1-178.8169175.8-3112.5A134 A141 L142A134-R138 PolarHBondContact O-N 2.93Å; R138-A141 PolarHBondContact O-N 3.43Å; R138-L142 WeakPolarHBondContact O-CB 3.37Å; R138-L142 WeakPolarHBondContact O-CG 3.24Å; R138-L142 PolarHBondContact O-N 3.06Å
139R42.3Very low42.8Very low164 Ų164109.6 Ų109.662%0.61956%0.556SS**Hα-helixtrans-63.5-47.1175.5-75167.5-174.1-173.83.3112.2L135 R136 H137 A141 L142 L143L135-R139 VanDerWaalsContact O-CB 3.3Å; L135-R139 WeakPolarHBondContact O-CB 3.48Å; L135-R139 WeakPolarHBondContact O-CD 3.22Å; L135-R139 WeakPolarHBondContact O-CG 3.48Å; L135-R139 PolarHBondContact O-N 3.4Å; R136-R139 PolarHBondContact O-N 2.8Å; H137-R139 VanDerWaalsContact C-N 3.33Å; H137-R139 PolarHBondContact O-N 3.04Å; R139-A141 PolarHBondContact O-N 2.72Å; R139-L142 PolarHBondContact O-N 2.87Å; R139-L143 WeakPolarHBondContact O-CB 3.49Å; R139-L143 WeakPolarHBondContact O-CG 3.34Å; R139-L143 PolarHBondContact O-N 3.39Å
140K39.3Very low43.5Very low164 Ų164112.1 Ų112.171%0.71355%0.553SS**Hα-helixtrans-59.6-44.2174.9-83.5-169.6172.6-173.30112R136 H137 L143 G144R136-K140 PolarHBondContact O-N 3.22Å; H137-K140 PolarHBondContact O-N 3.45Å; K140-L143 PolarHBondContact O-N 2.84Å; K140-G144 PolarHBondContact O-N 2.82Å
141A42.3Very low44.4Very low56 Ų56111.4 Ų111.446%0.46354%0.538SS..Hα-helixtrans-65.6-40.2-179.900000113.2H137 R138 R139 K145H137-A141 WeakPolarHBondContact O-CB 3.46Å; H137-A141 PolarHBondContact O-N 2.77Å; R138-A141 PolarHBondContact O-N 3.43Å; R139-A141 PolarHBondContact O-N 2.72Å; A141-K145 WeakPolarHBondContact O-CG 3.27Å; A141-K145 PolarHBondContact O-N 2.89Å; A141-K145 VanDerWaalsContact O-N 3.13Å
142L46.3Very low45.3Very low113 Ų113114.3 Ų114.359%0.59254%0.543SS*.Hα-helixtrans-69.8-41.6176-73.3168.4000112.1R138 R139 K145 M146R138-L142 WeakPolarHBondContact O-CB 3.37Å; R138-L142 WeakPolarHBondContact O-CG 3.24Å; R138-L142 PolarHBondContact O-N 3.06Å; R139-L142 PolarHBondContact O-N 2.87Å; L142-K145 PolarHBondContact O-N 2.82Å; L142-M146 WeakPolarHBondContact O-CG 3.31Å; L142-M146 PolarHBondContact O-N 3.09Å
143L45.4Very low46.2Very low123 Ų123115.4 Ų115.464%0.64455%0.546SS*.Hα-helixtrans-58.8-47.6173.1-77.6165.8000111.3R139 K140 K145 M146 L147R139-L143 WeakPolarHBondContact O-CB 3.49Å; R139-L143 WeakPolarHBondContact O-CG 3.34Å; R139-L143 PolarHBondContact O-N 3.39Å; K140-L143 PolarHBondContact O-N 2.84Å; L143-K145 PolarHBondContact O-N 2.98Å; L143-M146 PolarHBondContact O-N 2.68Å; L143-L147 WeakPolarHBondContact O-CB 3.19Å; L143-L147 PolarHBondContact O-N 2.84Å
144G43.4Very low47.2Very low31 Ų31114.5 Ų114.532%0.3254%0.539SS..Hα-helixtrans-58-45.8177.100000113.2K140 L147 Q148K140-G144 PolarHBondContact O-N 2.82Å; G144-L147 PolarHBondContact O-N 3.5Å; G144-Q148 WeakPolarHBondContact O-CG 3.34Å; G144-Q148 PolarHBondContact O-N 2.81Å
145K48Very low48.3Very low146 Ų146116.9 Ų116.964%0.63554%0.539SS*.Hα-helixtrans-65.7-41.4177.9-72.6-179.1179.3-171.60112.9A141 L142 L143 T149A141-K145 WeakPolarHBondContact O-CG 3.27Å; A141-K145 PolarHBondContact O-N 2.89Å; A141-K145 VanDerWaalsContact O-N 3.13Å; L142-K145 PolarHBondContact O-N 2.82Å; L143-K145 PolarHBondContact O-N 2.98Å; K145-T149 PolarHBondContact O-N 3.15Å; K145-T149 VanDerWaalsContact O-N 3.1Å; K145-T149 PolarHBondContact O-OG1 3.28Å
146M50.2Low49.5Very low145 Ų145118.1 Ų118.171%0.71454%0.543SS*.Hα-helixtrans-69.1-37.3176.3-69.9-161.677.400111.9L142 L143 T149 W150L142-M146 WeakPolarHBondContact O-CG 3.31Å; L142-M146 PolarHBondContact O-N 3.09Å; L143-M146 PolarHBondContact O-N 2.68Å; M146-T149 PolarHBondContact O-N 3.11Å; M146-W150 PolarHBondContact O-N 2.77Å
147L49Very low50.8Low57 Ų57114.4 Ų114.430%0.29854%0.536SS..Hα-helixtrans-67.6-42.2177.6-173.861000112.1Q14 L143 G144 T149 W150 I151Q14-L147 HydrophobicContact CB-CD2 4.16Å; Q14-L147 HydrophobicContact CG-CD2 3.81Å; L143-L147 WeakPolarHBondContact O-CB 3.19Å; L143-L147 PolarHBondContact O-N 2.84Å; G144-L147 PolarHBondContact O-N 3.5Å; L147-T149 VanDerWaalsContact C-N 3.32Å; L147-T149 PolarHBondContact O-N 3.41Å; L147-W150 HydrophobicContact CD1-CE3 3.92Å; L147-W150 HydrophobicContact CD1-CZ3 4.43Å; L147-W150 PolarHBondContact O-N 3Å; L147-I151 HydrophobicContact CG-CD1 4.47Å; L147-I151 WeakPolarHBondContact O-CG1 3.49Å; L147-I151 PolarHBondContact O-N 3.4Å
148Q50.3Low51.8Low143 Ų143110.9 Ų110.967%0.66852%0.52SS*.Hα-helixtrans-60.4-41.8170.9-76.4178.7-16.300111.8G144 W150 I151 R152G144-Q148 WeakPolarHBondContact O-CG 3.34Å; G144-Q148 PolarHBondContact O-N 2.81Å; Q148-W150 VanDerWaalsContact C-N 3.34Å; Q148-W150 PolarHBondContact O-N 3.01Å; Q148-I151 PolarHBondContact O-N 2.86Å; Q148-R152 WeakPolarHBondContact O-CB 3.46Å; Q148-R152 PolarHBondContact O-N 3.48Å
149T55.2Low53.2Low67 Ų67105.5 Ų105.541%0.41151%0.505SS..Hα-helixtrans-64.1-38.1175.5-48.80000112.1K145 M146 L147 K153K145-T149 PolarHBondContact O-N 3.15Å; K145-T149 VanDerWaalsContact O-N 3.1Å; K145-T149 PolarHBondContact O-OG1 3.28Å; M146-T149 PolarHBondContact O-N 3.11Å; L147-T149 VanDerWaalsContact C-N 3.32Å; L147-T149 PolarHBondContact O-N 3.41Å; T149-K153 PolarHBondContact O-N 3.14Å
150W58Low54.6Low156 Ų156102.4 Ų102.459%0.59150%0.498SS*.Hα-helixtrans-66.6-47.9175.2174.582.2000112.2M146 L147 Q148 R152 K153 H154M146-W150 PolarHBondContact O-N 2.77Å; L147-W150 HydrophobicContact CD1-CE3 3.92Å; L147-W150 HydrophobicContact CD1-CZ3 4.43Å; L147-W150 PolarHBondContact O-N 3Å; Q148-W150 VanDerWaalsContact C-N 3.34Å; Q148-W150 PolarHBondContact O-N 3.01Å; W150-R152 VanDerWaalsContact C-N 3.35Å; W150-R152 PolarHBondContact O-N 2.78Å; W150-K153 PolarHBondContact O-N 2.81Å; W150-H154 WeakPolarHBondContact O-CB 3.5Å; W150-H154 PolarHBondContact O-N 3.41Å
151I57.8Low55.8Low59 Ų59102.4 Ų102.430%0.30349%0.493SS..Hα-helixtrans-58.4-48.4176.4-68.9176.7000110Q14 L147 Q148 K153 H154 Q155Q14-I151 VanDerWaalsContact NE2-CD1 3.25Å; L147-I151 HydrophobicContact CG-CD1 4.47Å; L147-I151 WeakPolarHBondContact O-CG1 3.49Å; L147-I151 PolarHBondContact O-N 3.4Å; Q148-I151 PolarHBondContact O-N 2.86Å; I151-K153 PolarHBondContact O-N 2.74Å; I151-H154 PolarHBondContact O-N 3.05Å; I151-Q155 VanDerWaalsContact O-CB 3.26Å; I151-Q155 WeakPolarHBondContact O-CB 3.46Å; I151-Q155 PolarHBondContact O-N 3.13Å
152R56.5Low57.2Low171 Ų171106.3 Ų106.365%0.64550%0.5SS*.Hα-helixtrans-58.6-50.9179.9-164.9177.378-167.45.6111.6Q148 W150 H154 Q155 E156Q148-R152 WeakPolarHBondContact O-CB 3.46Å; Q148-R152 PolarHBondContact O-N 3.48Å; W150-R152 VanDerWaalsContact C-N 3.35Å; W150-R152 PolarHBondContact O-N 2.78Å; R152-H154 PolarHBondContact O-N 2.95Å; R152-Q155 PolarHBondContact O-N 2.97Å; R152-E156 VanDerWaalsContact O-CB 3.24Å; R152-E156 WeakPolarHBondContact O-CB 3.49Å; R152-E156 PolarHBondContact O-N 3.46Å
153K57.4Low58.7Low132 Ų132107 Ų10757%0.57450%0.5SS*.Hα-helixtrans-62.7-40177.6-79-168.5172-170.40113T149 W150 I151 V157T149-K153 PolarHBondContact O-N 3.14Å; W150-K153 PolarHBondContact O-N 2.81Å; I151-K153 PolarHBondContact O-N 2.74Å; K153-V157 WeakPolarHBondContact O-CB 3.37Å; K153-V157 VanDerWaalsContact O-CG2 3.31Å; K153-V157 WeakPolarHBondContact O-CG2 3.26Å; K153-V157 PolarHBondContact O-N 3.21Å
154H60.1Low60.2Low81 Ų81108.2 Ų108.238%0.37550%0.5SS..Hα-helixtrans-65-42.2176.6175.1-98.6000111.2W150 I151 R152 V157 Q158W150-H154 WeakPolarHBondContact O-CB 3.5Å; W150-H154 PolarHBondContact O-N 3.41Å; I151-H154 PolarHBondContact O-N 3.05Å; R152-H154 PolarHBondContact O-N 2.95Å; H154-V157 PolarHBondContact O-N 2.77Å; H154-Q158 VanDerWaalsContact O-CG 3.24Å; H154-Q158 WeakPolarHBondContact O-CG 3.18Å; H154-Q158 PolarHBondContact O-N 2.9Å
155Q59Low61.8Low113 Ų113111.5 Ų111.553%0.52851%0.51SS..Hα-helixtrans-68.7-38.1178.9-166.2163.1-5.200112.2I151 R152 Q158 N159I151-Q155 VanDerWaalsContact O-CB 3.26Å; I151-Q155 WeakPolarHBondContact O-CB 3.46Å; I151-Q155 PolarHBondContact O-N 3.13Å; R152-Q155 PolarHBondContact O-N 2.97Å; Q155-Q158 PolarHBondContact O-N 2.88Å; Q155-N159 PolarHBondContact O-N 2.94Å; Q155-N159 PolarHBondContact O-OD1 3.19Å
156E65.5Low63.3Low100 Ų100109.5 Ų109.547%0.46750%0.503SS..Hα-helixtrans-61.8-45.9172.6-171.3169.7-152.700111.7R152 Q158 N159 Q160R152-E156 VanDerWaalsContact O-CB 3.24Å; R152-E156 WeakPolarHBondContact O-CB 3.49Å; R152-E156 PolarHBondContact O-N 3.46Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 3.26Å; E156-N159 PolarHBondContact O-N 3.13Å; E156-Q160 WeakPolarHBondContact O-CG 3.41Å; E156-Q160 PolarHBondContact O-N 2.86Å
157V65.3Low64.9Low64 Ų64107.7 Ų107.739%0.38849%0.493SS..Hα-helixtrans-64.7-34.5173.2170.30000112.4K153 H154 R161K153-V157 WeakPolarHBondContact O-CB 3.37Å; K153-V157 VanDerWaalsContact O-CG2 3.31Å; K153-V157 WeakPolarHBondContact O-CG2 3.26Å; K153-V157 PolarHBondContact O-N 3.21Å; H154-V157 PolarHBondContact O-N 2.77Å; V157-R161 WeakPolarHBondContact O-CB 3.38Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.48Å; V157-R161 PolarHBondContact O-N 3.25Å; V157-R161 VanDerWaalsContact O-N 3.14Å
158Q57.3Low66.4Low52 Ų52106.9 Ų106.924%0.24349%0.494CS..Hα-helixtrans-68-39.5173.8-68.7-73.9-65.500111.6H154 Q155 E156 R161 K162H154-Q158 VanDerWaalsContact O-CG 3.24Å; H154-Q158 WeakPolarHBondContact O-CG 3.18Å; H154-Q158 PolarHBondContact O-N 2.9Å; Q155-Q158 PolarHBondContact O-N 2.88Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 3.26Å; Q158-R161 PolarHBondContact O-N 2.61Å; Q158-K162 WeakPolarHBondContact O-CG 3.37Å; Q158-K162 PolarHBondContact O-N 3.45Å
159N69.3Low67.9Low79 Ų79107.7 Ų107.742%0.42249%0.491SS..Hα-helixtrans-66.5-49.7177.8-72-4.4000111.2Q155 E156 R161 K162 E163Q155-N159 PolarHBondContact O-N 2.94Å; Q155-N159 PolarHBondContact O-OD1 3.19Å; E156-N159 PolarHBondContact O-N 3.13Å; N159-R161 PolarHBondContact O-N 2.91Å; N159-K162 WeakPolarHBondContact O-CA 3.32Å; N159-K162 WeakPolarHBondContact O-CB 3.47Å; N159-K162 PolarHBondContact O-N 3Å; N159-E163 PolarHBondContact O-N 3.38Å
160Q70.1Confident69.2Low98 Ų98112.8 Ų112.846%0.45850%0.503SS..Hα-helixtrans-57.5-33.3174.9-69.9176.92.100112.9E156 K164E156-Q160 WeakPolarHBondContact O-CG 3.41Å; E156-Q160 PolarHBondContact O-N 2.86Å; Q160-K164 WeakPolarHBondContact O-CB 3.41Å; Q160-K164 WeakPolarHBondContact O-CG 3.45Å; Q160-K164 PolarHBondContact O-N 3.08Å; Q160-K164 VanDerWaalsContact O-N 3.1Å
161R65.9Low70.4Confident165 Ų165110.8 Ų110.862%0.62350%0.5SS*.Hα-helixtrans-73-35.3174.1-76.9178.2-179.9-159.92.6112.9V157 Q158 N159 L165V157-R161 WeakPolarHBondContact O-CB 3.38Å; V157-R161 VanDerWaalsContact O-CG 3.26Å; V157-R161 WeakPolarHBondContact O-CG 3.48Å; V157-R161 PolarHBondContact O-N 3.25Å; V157-R161 VanDerWaalsContact O-N 3.14Å; Q158-R161 PolarHBondContact O-N 2.61Å; N159-R161 PolarHBondContact O-N 2.91Å; R161-L165 WeakPolarHBondContact O-CB 3.38Å; R161-L165 PolarHBondContact O-N 2.86Å; R161-L165 VanDerWaalsContact O-N 3.09Å
162K70.5Confident71.4Confident137 Ų137115.7 Ų115.760%0.59652%0.519SS*.Hα-helixtrans-65.9-46.8172.8-76.6179.7175.8-176.80111Q158 N159 K164 L165 E166Q158-K162 WeakPolarHBondContact O-CG 3.37Å; Q158-K162 PolarHBondContact O-N 3.45Å; N159-K162 WeakPolarHBondContact O-CA 3.32Å; N159-K162 WeakPolarHBondContact O-CB 3.47Å; N159-K162 PolarHBondContact O-N 3Å; K162-K164 PolarHBondContact O-N 3.36Å; K162-L165 PolarHBondContact O-N 2.92Å; K162-L165 VanDerWaalsContact O-N 3.12Å; K162-E166 PolarHBondContact O-N 3.27Å
163E79Confident72.7Confident127 Ų127115.4 Ų115.459%0.59352%0.522SS*.Hα-helixtrans-57.1-50.5176.8-71.3169.3162.400111.1N159 L165 E166 E167N159-E163 PolarHBondContact O-N 3.38Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.46Å; E163-E166 PolarHBondContact O-N 2.89Å; E163-E166 VanDerWaalsContact O-N 3.14Å; E163-E167 WeakPolarHBondContact O-CB 3.4Å; E163-E167 PolarHBondContact O-N 3.45Å
164K76.9Confident74.1Confident150 Ų150112.2 Ų112.265%0.65251%0.51SS*.Hα-helixtrans-60.3-33.7175.5-74.5-179177.5-173.90113.7Q160 K162 A168Q160-K164 WeakPolarHBondContact O-CB 3.41Å; Q160-K164 WeakPolarHBondContact O-CG 3.45Å; Q160-K164 PolarHBondContact O-N 3.08Å; Q160-K164 VanDerWaalsContact O-N 3.1Å; K162-K164 PolarHBondContact O-N 3.36Å; K164-A168 VanDerWaalsContact O-CB 3.28Å; K164-A168 WeakPolarHBondContact O-CB 3.45Å; K164-A168 PolarHBondContact O-N 3.31Å
165L76.4Confident75.2Confident100 Ų100113.1 Ų113.152%0.52452%0.521SS..Hα-helixtrans-72.8-37.5175.9-177.662.8000112.1R161 K162 E163 R169R161-L165 WeakPolarHBondContact O-CB 3.38Å; R161-L165 PolarHBondContact O-N 2.86Å; R161-L165 VanDerWaalsContact O-N 3.09Å; K162-L165 PolarHBondContact O-N 2.92Å; K162-L165 VanDerWaalsContact O-N 3.12Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.46Å; L165-R169 WeakPolarHBondContact O-CB 3.38Å; L165-R169 VanDerWaalsContact O-CG 3.26Å; L165-R169 WeakPolarHBondContact O-CG 3.49Å; L165-R169 PolarHBondContact O-N 2.99Å
166E80.6Confident76.5Confident103 Ų103114.4 Ų114.448%0.48153%0.525SS..Hα-helixtrans-69.9-41173.7-74-165.6-173.100112.2K162 E163 R169 R170K162-E166 PolarHBondContact O-N 3.27Å; E163-E166 PolarHBondContact O-N 2.89Å; E163-E166 VanDerWaalsContact O-N 3.14Å; E166-R169 CarbonylContact O-C 3.6Å; E166-R169 WeakPolarHBondContact O-CA 3.28Å; E166-R169 WeakPolarHBondContact O-CB 3.24Å; E166-R169 PolarHBondContact O-N 3.46Å; E166-R169 VanDerWaalsContact O-N 3.13Å; E166-R170 WeakPolarHBondContact O-CG 3.5Å; E166-R170 PolarHBondContact O-N 3.29Å; E166-R170 IonicContact OE2-NH2 2.81Å
167E83.6Confident77.3Confident108 Ų108116.5 Ų116.551%0.50553%0.528SS..Hα-helixtrans-60.8-48174.3-169.4-178.5-172.100110.9E163 R169 R170 Q171E163-E167 WeakPolarHBondContact O-CB 3.4Å; E163-E167 PolarHBondContact O-N 3.45Å; E167-R169 PolarHBondContact O-N 2.86Å; E167-R170 WeakPolarHBondContact O-CB 3.05Å; E167-R170 PolarHBondContact O-N 2.89Å; E167-Q171 WeakPolarHBondContact O-CG 3.18Å; E167-Q171 PolarHBondContact O-N 3.45Å
168A80.5Confident78.1Confident40 Ų40118.9 Ų118.933%0.33153%0.533SS..Hα-helixtrans-60.8-31.8173.500000112.9K164 K172K164-A168 VanDerWaalsContact O-CB 3.28Å; K164-A168 WeakPolarHBondContact O-CB 3.45Å; K164-A168 PolarHBondContact O-N 3.31Å; A168-K172 WeakPolarHBondContact O-CB 3.26Å; A168-K172 WeakPolarHBondContact O-CG 3.4Å; A168-K172 PolarHBondContact O-N 3.4Å
169R80.6Confident79.3Confident159 Ų159121.4 Ų121.460%0.655%0.548SS*.Hα-helixtrans-71.1-38.9171.9-77.5170171.3-169.5-2.8112.2L165 E166 E167 K172 K173L165-R169 WeakPolarHBondContact O-CB 3.38Å; L165-R169 VanDerWaalsContact O-CG 3.26Å; L165-R169 WeakPolarHBondContact O-CG 3.49Å; L165-R169 PolarHBondContact O-N 2.99Å; E166-R169 CarbonylContact O-C 3.6Å; E166-R169 WeakPolarHBondContact O-CA 3.28Å; E166-R169 WeakPolarHBondContact O-CB 3.24Å; E166-R169 PolarHBondContact O-N 3.46Å; E166-R169 VanDerWaalsContact O-N 3.13Å; E167-R169 PolarHBondContact O-N 2.86Å; R169-K172 PolarHBondContact O-N 3.06Å; R169-K173 WeakPolarHBondContact O-CG 3.45Å; R169-K173 PolarHBondContact O-N 2.94Å
170R83.9Confident79.7Confident174 Ų174122.7 Ų122.766%0.65755%0.554SS**Hα-helixtrans-64.4-48.6174.1-69.6175.4-166.9-163.15.6110.5E166 E167 K172 K173 E174E166-R170 WeakPolarHBondContact O-CG 3.5Å; E166-R170 PolarHBondContact O-N 3.29Å; E166-R170 IonicContact OE2-NH2 2.81Å; E167-R170 WeakPolarHBondContact O-CB 3.05Å; E167-R170 PolarHBondContact O-N 2.89Å; R170-K172 PolarHBondContact O-N 3.49Å; R170-K173 WeakPolarHBondContact O-CB 3.32Å; R170-K173 PolarHBondContact O-N 2.68Å; R170-K173 VanDerWaalsContact O-N 3.12Å; R170-E174 WeakPolarHBondContact O-CB 3.46Å; R170-E174 PolarHBondContact O-N 3.47Å
171Q81.4Confident80.2Confident114 Ų114123 Ų12353%0.53356%0.556SS.*Hα-helixtrans-57.3-44.2174.7-69.7174.62.300112E167 K173 E174 V175E167-Q171 WeakPolarHBondContact O-CG 3.18Å; E167-Q171 PolarHBondContact O-N 3.45Å; Q171-K173 PolarHBondContact O-N 2.98Å; Q171-E174 PolarHBondContact O-N 3.26Å; Q171-V175 WeakPolarHBondContact O-CG2 3.44Å; Q171-V175 PolarHBondContact O-N 2.79Å
172K79.6Confident80.6Confident163 Ų163119.8 Ų119.871%0.70955%0.551SS**Hα-helixtrans-64.1-37.7174.7-79.9-176.7176.4-173.40113.7A168 R169 R170 K176A168-K172 WeakPolarHBondContact O-CB 3.26Å; A168-K172 WeakPolarHBondContact O-CG 3.4Å; A168-K172 PolarHBondContact O-N 3.4Å; R169-K172 PolarHBondContact O-N 3.06Å; R170-K172 PolarHBondContact O-N 3.49Å; K172-K176 WeakPolarHBondContact O-CB 3.49Å; K172-K176 PolarHBondContact O-N 3.16Å
173K83.9Confident80.7Confident164 Ų164118.3 Ų118.371%0.71355%0.549SS*.Hα-helixtrans-64.9-41.1173.1-76.6-178.8175.7-171.60111.2R169 R170 Q171 K176 R177R169-K173 WeakPolarHBondContact O-CG 3.45Å; R169-K173 PolarHBondContact O-N 2.94Å; R170-K173 WeakPolarHBondContact O-CB 3.32Å; R170-K173 PolarHBondContact O-N 2.68Å; R170-K173 VanDerWaalsContact O-N 3.12Å; Q171-K173 PolarHBondContact O-N 2.98Å; K173-K176 PolarHBondContact O-N 2.83Å; K173-R177 WeakPolarHBondContact O-CB 3.4Å; K173-R177 PolarHBondContact O-N 2.86Å
174E85.8Confident80.3Confident65 Ų65115.3 Ų115.330%0.30455%0.552SS.*Hα-helixtrans-68-44.9179.8-177.858.9-169.300112.5R170 Q171 K176 R177 K178R170-E174 WeakPolarHBondContact O-CB 3.46Å; R170-E174 PolarHBondContact O-N 3.47Å; Q171-E174 PolarHBondContact O-N 3.26Å; E174-K176 VanDerWaalsContact C-N 3.3Å; E174-K176 PolarHBondContact O-N 3.12Å; E174-R177 WeakPolarHBondContact O-CB 3.31Å; E174-R177 PolarHBondContact O-N 2.78Å; E174-R177 VanDerWaalsContact O-N 3.13Å; E174-R177 IonicContact OE1-CZ 3.68Å; E174-R177 IonicContact OE1-NE 3.99Å; E174-R177 IonicContact OE1-NH2 2.79Å; E174-R177 PolarHBondContact OE1-NH2 3.22Å; E174-R177 IonicContact OE2-CZ 3.28Å; E174-R177 VanDerWaalsContact OE2-CZ 3.28Å; E174-R177 IonicContact OE2-NE 3.78Å; E174-R177 PolarHBondContact OE2-NE 2.91Å; E174-R177 IonicContact OE2-NH2 2.92Å; E174-R177 PolarHBondContact OE2-NH2 2.8Å; E174-K178 PolarHBondContact O-N 3.46Å; E174-K178 VanDerWaalsContact OE1-CE 3.29Å; E174-K178 WeakPolarHBondContact OE1-CE 3.44Å
175V84.4Confident79.8Confident101 Ų101114.2 Ų114.261%0.61255%0.553SS**Hα-helixtrans-60.4-40.7172.6171.50000110.9Q171 R177 K178 L179Q171-V175 WeakPolarHBondContact O-CG2 3.44Å; Q171-V175 PolarHBondContact O-N 2.79Å; V175-R177 VanDerWaalsContact C-N 3.34Å; V175-R177 PolarHBondContact O-N 3.44Å; V175-K178 PolarHBondContact O-N 3.02Å; V175-L179 WeakPolarHBondContact O-CB 3.31Å; V175-L179 PolarHBondContact O-N 3.1Å
176K85.1Confident79.4Confident140 Ų140114.5 Ų114.561%0.60955%0.554SS**Hα-helixtrans-65.1-36.6174.9-173.2179.6178.5-175.30112.3K172 K173 E174 L180K172-K176 WeakPolarHBondContact O-CB 3.49Å; K172-K176 PolarHBondContact O-N 3.16Å; K173-K176 PolarHBondContact O-N 2.83Å; E174-K176 VanDerWaalsContact C-N 3.3Å; E174-K176 PolarHBondContact O-N 3.12Å; K176-L180 HydrophobicContact CG-CD1 4.27Å; K176-L180 WeakPolarHBondContact O-CG 3.35Å; K176-L180 PolarHBondContact O-N 2.73Å; K176-L180 VanDerWaalsContact O-N 3.11Å
177R83.7Confident78.4Confident143 Ų143114.3 Ų114.354%0.5456%0.562SS.*Hα-helixtrans-63.9-51.4176-17517273112.41.5110.6K173 E174 V175 L179 L180 E181K173-R177 WeakPolarHBondContact O-CB 3.4Å; K173-R177 PolarHBondContact O-N 2.86Å; E174-R177 WeakPolarHBondContact O-CB 3.31Å; E174-R177 PolarHBondContact O-N 2.78Å; E174-R177 VanDerWaalsContact O-N 3.13Å; E174-R177 IonicContact OE1-CZ 3.68Å; E174-R177 IonicContact OE1-NE 3.99Å; E174-R177 IonicContact OE1-NH2 2.79Å; E174-R177 PolarHBondContact OE1-NH2 3.22Å; E174-R177 IonicContact OE2-CZ 3.28Å; E174-R177 VanDerWaalsContact OE2-CZ 3.28Å; E174-R177 IonicContact OE2-NE 3.78Å; E174-R177 PolarHBondContact OE2-NE 2.91Å; E174-R177 IonicContact OE2-NH2 2.92Å; E174-R177 PolarHBondContact OE2-NH2 2.8Å; V175-R177 VanDerWaalsContact C-N 3.34Å; V175-R177 PolarHBondContact O-N 3.44Å; R177-L179 PolarHBondContact O-N 3.24Å; R177-L180 WeakPolarHBondContact O-CB 3.32Å; R177-L180 PolarHBondContact O-N 2.7Å; R177-L180 VanDerWaalsContact O-N 3.11Å; R177-E181 PolarHBondContact O-N 3.09Å
178K82.4Confident76.8Confident115 Ų115115.2 Ų115.250%0.558%0.577SS.*Hα-helixtrans-58.5-44.3175.6-69-172176.5-168.80112.2E174 V175 L180 E181 D182E174-K178 PolarHBondContact O-N 3.46Å; E174-K178 VanDerWaalsContact OE1-CE 3.29Å; E174-K178 WeakPolarHBondContact OE1-CE 3.44Å; V175-K178 PolarHBondContact O-N 3.02Å; K178-L180 VanDerWaalsContact C-N 3.27Å; K178-L180 PolarHBondContact O-N 2.66Å; K178-E181 WeakPolarHBondContact O-CB 3.38Å; K178-E181 PolarHBondContact O-N 2.84Å; K178-E181 VanDerWaalsContact O-N 3.11Å; K178-D182 WeakPolarHBondContact O-CB 3.36Å; K178-D182 PolarHBondContact O-N 2.84Å
179L81.1Confident75.2Confident105 Ų105124 Ų12455%0.5560%0.602SS.*Hα-helixtrans-60.6-34.9176.6-158.784.8000113V175 R177 L183V175-L179 WeakPolarHBondContact O-CB 3.31Å; V175-L179 PolarHBondContact O-N 3.1Å; R177-L179 PolarHBondContact O-N 3.24Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 WeakPolarHBondContact O-CD1 3.46Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 3.24Å
180L77.6Confident73.5Confident105 Ų105127 Ų12755%0.5562%0.619SS.*Hα-helixtrans-73.6-35.5175.5-78.8163.8000112.4K176 R177 K178 L183 G184K176-L180 HydrophobicContact CG-CD1 4.27Å; K176-L180 WeakPolarHBondContact O-CG 3.35Å; K176-L180 PolarHBondContact O-N 2.73Å; K176-L180 VanDerWaalsContact O-N 3.11Å; R177-L180 WeakPolarHBondContact O-CB 3.32Å; R177-L180 PolarHBondContact O-N 2.7Å; R177-L180 VanDerWaalsContact O-N 3.11Å; K178-L180 VanDerWaalsContact C-N 3.27Å; K178-L180 PolarHBondContact O-N 2.66Å; L180-L183 PolarHBondContact O-N 3.09Å; L180-G184 PolarHBondContact O-N 3.19Å
181E80.5Confident71.7Confident105 Ų105123.5 Ų123.549%0.49162%0.622SS.*Hα-helixtrans-69.8-43.7176.1-164.4163.8-156.100110.9R177 K178 G184 N185R177-E181 PolarHBondContact O-N 3.09Å; K178-E181 WeakPolarHBondContact O-CB 3.38Å; K178-E181 PolarHBondContact O-N 2.84Å; K178-E181 VanDerWaalsContact O-N 3.11Å; E181-G184 PolarHBondContact O-N 3.36Å; E181-G184 VanDerWaalsContact O-N 3.17Å; E181-N185 PolarHBondContact O-N 2.85Å; E181-N185 PolarHBondContact O-ND2 3.26Å; E181-N185 VanDerWaalsContact O-ND2 3.15Å
182D75.8Confident69.8Low98 Ų98123.1 Ų123.152%0.52464%0.638SS.*Hα-helixtrans-58.7-46.4170.3-66.7-29.3000111K178 G184 N185 I186K178-D182 WeakPolarHBondContact O-CB 3.36Å; K178-D182 PolarHBondContact O-N 2.84Å; D182-G184 VanDerWaalsContact C-N 3.28Å; D182-G184 PolarHBondContact O-N 2.87Å; D182-N185 PolarHBondContact O-N 2.84Å; D182-N185 VanDerWaalsContact O-N 3.16Å; D182-I186 WeakPolarHBondContact O-CG1 3.46Å; D182-I186 PolarHBondContact O-N 3.43Å
183L71.1Confident68Low106 Ų106126.8 Ų126.856%0.55565%0.647SS**Hα-helixtrans-62.1-33175.5-79166.8000113.1L179 L180 I186L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 WeakPolarHBondContact O-CD1 3.46Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 3.24Å; L180-L183 PolarHBondContact O-N 3.09Å; L183-I186 HydrophobicContact CD2-CD1 4.09Å
184G71.1Confident66Low64 Ų64126.4 Ų126.466%0.6665%0.652SS**Hα-helixtrans-72.9-28.7174.700000113.6L180 E181 D182L180-G184 PolarHBondContact O-N 3.19Å; E181-G184 PolarHBondContact O-N 3.36Å; E181-G184 VanDerWaalsContact O-N 3.17Å; D182-G184 VanDerWaalsContact C-N 3.28Å; D182-G184 PolarHBondContact O-N 2.87Å
185N67.6Low64Low126 Ų126131.5 Ų131.567%0.67468%0.68SS**THydrogen-bonded Turntrans-88.82.3-179.9-70.7-35000114E181 D182 P187E181-N185 PolarHBondContact O-N 2.85Å; E181-N185 PolarHBondContact O-ND2 3.26Å; E181-N185 VanDerWaalsContact O-ND2 3.15Å; D182-N185 PolarHBondContact O-N 2.84Å; D182-N185 VanDerWaalsContact O-N 3.16Å; N185-P187 VanDerWaalsContact O-CD 3.29Å; N185-P187 WeakPolarHBondContact O-CD 3.29Å
186I66.3Low61.6Low107 Ų107133 Ų13355%0.54969%0.69SS.*SBendtrans-76.7115.8174.6-69.8166.7000109.8D182 L183D182-I186 WeakPolarHBondContact O-CG1 3.46Å; D182-I186 PolarHBondContact O-N 3.43Å; L183-I186 HydrophobicContact CD2-CD1 4.09Å
187P60.7Low59.2Low99 Ų99135.4 Ų135.464%0.64370%0.704SS**  trans-66.3143.1175.227.4-34.1000110.9N185 R189N185-P187 VanDerWaalsContact O-CD 3.29Å; N185-P187 WeakPolarHBondContact O-CD 3.29Å; P187-R189 PolarHBondContact O-N 2.89Å
188P50.5Low56.8Low127 Ų127133.1 Ų133.183%0.82572%0.715SS**  trans-67101.5-169.725.7-34.7000112.1
189R46.8Very low54.9Low224 Ų224132.9 Ų132.985%0.84573%0.726SS**  trans-71.4131.1172.4-86-175.4167.6178.7-3110.7P187 S191P187-R189 PolarHBondContact O-N 2.89Å; R189-S191 VanDerWaalsContact C-N 3.28Å; R189-S191 PolarHBondContact O-N 3.37Å
190K43.7Very low52.4Low221 Ų221138.7 Ų138.796%0.96174%0.74SS**THydrogen-bonded Turntrans-70.270.3-175-64178.7178.4177.80113.1
191S47.4Very low50.3Low102 Ų102138.4 Ų138.471%0.71375%0.747SS**THydrogen-bonded Turntrans-147.813.1167.157.20000114.3R189 R193R189-S191 VanDerWaalsContact C-N 3.28Å; R189-S191 PolarHBondContact O-N 3.37Å; S191-R193 PolarHBondContact O-N 3.37Å
192A40.9Very low47.8Very low105 Ų105139.2 Ų139.287%0.86876%0.759SS**THydrogen-bonded Turntrans-76.759.3172.100000112.3
193R41.1Very low45.7Very low240 Ų240142.7 Ų142.791%0.90677%0.774SS**THydrogen-bonded Turntrans-127.66.8175.1-133.4-177-164.2-163.84.2114.8S191S191-R193 PolarHBondContact O-N 3.37Å
194L42.4Very low43.9Very low157 Ų157142.9 Ų142.982%0.82278%0.78SS**SBendtrans-135.7138.9169.4-69.8169.9000108
195L44.7Very low42Very low171 Ų171146.9 Ų146.990%0.89579%0.786SS**  trans75.262.7175.3-52171.9000117.4
196T33.9Very low40.2Very low134 Ų134148 Ų14882%0.82279%0.79SS**  trans-127.5148.713746.10000110.2
197Q33.3Very low38.9Very low189 Ų189148.1 Ų148.188%0.88380%0.798SS**  trans78.289.3175.6-49.3-17125.200118.5
198A34.6Very low37.6Very low95 Ų95154.7 Ų154.779%0.78581%0.81SS**  -83.5161.5121.500000107.7
199P41.6Very low36.6Very low111 Ų111157.9 Ų157.972%0.72181%0.811SS**  cis-147.717628.643.2-23.5000119.1
200R29.3Very low35.8Very low227 Ų227156.5 Ų156.586%0.85781%0.811SS**  trans70109.9145.1-85.9178.5-179.4-173.6-0.2122
201S32.9Very low35.3Very low98 Ų98157 Ų15769%0.68581%0.807SS**  40.1114.7125.163.20000120.3
202T29Very low34.5Very low123 Ų123159.7 Ų159.776%0.75581%0.813SS**  -170.1138.8112.5-62.10000108.1
203M29.9Very low34.5Very low170 Ų170160 Ų16084%0.83781%0.806SS**  trans-173.9136.5143.1-103.5-59.5110.400111.2
204T34.6Very low34.4Very low111 Ų111154.7 Ų154.768%0.68180%0.803SS**  trans-97167.5178.433.30000111.8
205L30.4Very low33.9Very low148 Ų148156.6 Ų156.678%0.77581%0.808SS**  trans126.389.3147.1-63.2169.1000116.8
206I31.4Very low33.2Very low150 Ų150159.7 Ų159.777%0.76981%0.808SS**  34139.6110.3-62.1175.1000117.6
207P37.2Very low33.2Very low109 Ų109161 Ų16171%0.70881%0.809SS**  cis-140.9155.526.322.93.1000120.9
208R33.2Very low33.7Very low237 Ų237157.3 Ų157.389%0.89480%0.801SS**  trans20.7127.8137-57.3178.3175.8-178.2-1.4121.5
209K29.7Very low34Very low194 Ų194158.5 Ų158.584%0.84380%0.801SS**  -168.9158.3113.2-108.4174.2-175.1-179.40113.7
210F30.8Very low33.9Very low195 Ų195159 Ų15986%0.85581%0.805SS**  trans64.8124.7176.7-79.7-84.6000120.4
211R32.7Very low34.3Very low230 Ų230154.2 Ų154.287%0.86880%0.802SS**  trans-101.3151.9161.9-81.8175.7163.9170.8-5.8107.4
212D31Very low34.3Very low159 Ų159159.4 Ų159.485%0.8581%0.813SS**  trans-152151.7130.8-89.5-40.5000109.7
213P41Very low34.5Very low111 Ų111163.1 Ų163.172%0.72182%0.819SS**PPolyproline II helixtrans-97.3155-170.436.9-34.4000114.2
214P38.5Very low34.8Very low130 Ų130160.9 Ų160.984%0.84482%0.816SS**PPolyproline II helixtrans-86145.2175.933.9-34000113.6
215E31.6Very low34.6Very low196 Ų196160.7 Ų160.792%0.91682%0.82SS**PPolyproline II helixtrans-76.8156.1-179.7-164.6170.7-171.700113
216R31.6Very low34.6Very low236 Ų236161.6 Ų161.689%0.89182%0.824SS**  trans-127.7121.8-172.9-173.7-170.2-61.8-123.12.3111.6
217L33.4Very low34.6Very low162 Ų162162.7 Ų162.785%0.84883%0.831SS**PPolyproline II helixtrans-89.1152.8176.8-75.5167.3000113.5
218P43.3Very low34.3Very low112 Ų112161.9 Ų161.973%0.72783%0.834SS**PPolyproline II helixtrans-97166.6-16838.1-37.3000115.7
219P41.2Very low34.1Very low119 Ų119158.9 Ų158.977%0.77383%0.834SS**PPolyproline II helixtrans-87.2162.3178.535.6-36.2000114.5
220P38.9Very low34.5Very low123 Ų123154.8 Ų154.880%0.79983%0.828SS**PPolyproline II helixtrans-80.6159.5-174.432.2-36.5000115.2
221P37.3Very low34.3Very low125 Ų125156.9 Ų156.981%0.81283%0.83SS**PPolyproline II helixtrans-91.6159.3-164.935.7-37.3000116.1
222K34.3Very low34Very low207 Ų207158 Ų15890%0.983%0.834SS**PPolyproline II helixtrans-99.4150.1167.5-64.2176.2179.8175.10110.8
223K32.1Very low34.3Very low202 Ų202155.2 Ų155.288%0.87883%0.833SS**  trans-142.2160.4172.1-90.9-164.3-179.5-176.40111.3
224P37.5Very low33.8Very low122 Ų122155.7 Ų155.779%0.79284%0.836SS**  -121.7179.6-119.540.8-31.1000117.2
225S29.5Very low33.4Very low107 Ų107158.7 Ų158.775%0.74884%0.839SS**  trans-73.8147.6173.8178.20000113.2
226L31.4Very low33.6Very low167 Ų167156.1 Ų156.187%0.87483%0.83SS**  trans-139.6159.8161.9-80.7-179.9000111.9
227L31Very low34Very low173 Ų173149.2 Ų149.291%0.90682%0.818SS**  trans-87.8169.6-159.2-70.3152.2000114.9
228A30.2Very low34.2Very low93 Ų93153 Ų15377%0.76982%0.821SS**  trans-103.4161.7-176.300000113.7
229L28.4Very low34Very low173 Ų173152 Ų15291%0.90682%0.822SS**  trans-164.6166.9154.8-96.1164.5000108.1
230P38.3Very low33.8Very low108 Ų108149 Ų14970%0.70181%0.807SS**  trans-131.1176.9-13342.9-28000118.6
231R27.5Very low33.5Very low239 Ų239152.4 Ų152.490%0.90281%0.809SS**  trans73.8113.5159.4-79.3-179.3159.2-172-4.6120.2
232R27Very low33.6Very low254 Ų254154.8 Ų154.896%0.95881%0.814SS**  -162.2151.3107.7-105.1174.6179.8-176.90.4110.1
233A35.6Very low33.6Very low100 Ų100155.8 Ų155.883%0.82681%0.812SS**  trans-121.6140.9-174.100000111.9
234P30.8Very low33.6Very low121 Ų121157 Ų15779%0.78681%0.812SS**  trans-104159.8160.828-14.4000112.8
235Q30.4Very low33.3Very low194 Ų194161.1 Ų161.191%0.90781%0.813SS**PPolyproline II helixtrans-68.1142-168.7-68.6-75.5-10.700114.2
236I36.1Very low33.4Very low141 Ų141166.7 Ų166.772%0.72382%0.819SS**PPolyproline II helixtrans-97.7124.2175.8-64.4175000110A240I236-A240 HydrophobicContact CG2-CB 3.58Å
237S40.8Very low33.6Very low91 Ų91163 Ų16364%0.63681%0.807SS**PPolyproline II helixtrans-76.8159.9176.269.30000113A239 A240S237-A239 PolarHBondContact O-N 2.92Å; S237-A240 PolarHBondContact O-N 3.25Å
238R36.1Very low33.8Very low243 Ų243160.7 Ų160.792%0.91780%0.8SS**G310 helixtrans-61.3-7.5-171.3-78.9167.264.6151.5-5.2115.8A240R238-A240 VanDerWaalsContact C-N 3.28Å; R238-A240 PolarHBondContact O-N 3.2Å
239A39.4Very low33.9Very low90 Ų90164.9 Ų164.974%0.74480%0.804SS**G310 helixtrans-68.6-19.7175.900000114.3S237 K241S237-A239 PolarHBondContact O-N 2.92Å; A239-K241 PolarHBondContact O-N 2.68Å
240A37.2Very low34.1Very low56 Ų56160.9 Ų160.946%0.46380%0.795SS.*G310 helixtrans-77.4-12.3-174.400000115.4I236 S237 R238 L242I236-A240 HydrophobicContact CG2-CB 3.58Å; S237-A240 PolarHBondContact O-N 3.25Å; R238-A240 VanDerWaalsContact C-N 3.28Å; R238-A240 PolarHBondContact O-N 3.2Å; A240-L242 PolarHBondContact O-N 2.88Å
241K33.3Very low33.9Very low195 Ų195161.4 Ų161.485%0.84880%0.796SS**G310 helixtrans-77.4-15.8-171.3-89.3-173.6173.6-177.20115.7A239A239-K241 PolarHBondContact O-N 2.68Å
242L38Very low34.4Very low174 Ų174156.5 Ų156.591%0.91179%0.793SS**G310 helixtrans-85.9-9.8179.3-129.880.6000114.5A240A240-L242 PolarHBondContact O-N 2.88Å
243R35.8Very low35.3Very low228 Ų228152 Ų15286%0.8678%0.776SS**SBendtrans-99.94.3-166.8-141.9-177-170.8-140.65.3115.5
244R31.6Very low35.8Very low229 Ų229158.1 Ų158.186%0.86478%0.778SS**SBendtrans-113.56.4-168.9-136.5176.6-167.9166.43.7116.2
245Y31.7Very low37.1Very low208 Ų208163.7 Ų163.782%0.81678%0.783SS**SBendtrans-96.5-8.5179.8-142.3-97.1000114.8
246Y31.7Very low39.2Very low223 Ų223158.5 Ų158.588%0.87576%0.759SS**SBendtrans-133.350.9179.1-69.6-72.8000112.2
247S34.5Very low41.3Very low90 Ų90153.9 Ų153.963%0.62974%0.741SS**  trans-133.755.4180-173.90000113.4
248T34.8Very low43.5Very low124 Ų124151.5 Ų151.576%0.76172%0.724SS**SBendtrans-126.8138.6153.6450000107.9
249H34Very low45.8Very low182 Ų182139.9 Ų139.984%0.84368%0.68SS**  trans70.544.4-173.1-51.8-73.6000118V251H249-V251 VanDerWaalsContact C-N 3.34Å; H249-V251 PolarHBondContact O-N 3.11Å; H249-V251 VanDerWaalsContact O-N 3.09Å
250A31.9Very low48.3Very low88 Ų88137.1 Ų137.173%0.72765%0.654SS**  trans-7782.9157.900000111T252A250-T252 PolarHBondContact O-N 2.97Å
251V34.8Very low50.9Low119 Ų119134.5 Ų134.572%0.72163%0.632SS**  trans-61.5125.5159.2176.60000107.4H249 R253H249-V251 VanDerWaalsContact C-N 3.34Å; H249-V251 PolarHBondContact O-N 3.11Å; H249-V251 VanDerWaalsContact O-N 3.09Å; V251-R253 PolarHBondContact O-N 2.92Å
252T37.5Very low53.7Low137 Ų137125.2 Ų125.284%0.8459%0.592SS**  trans-70.372.3179.836.70000111.5A250 R254A250-T252 PolarHBondContact O-N 2.97Å; T252-R254 PolarHBondContact O-N 2.82Å
253R45.1Very low56.4Low160 Ų160116.9 Ų116.960%0.60455%0.548SS*.PPolyproline II helixtrans-57.3124.4168.8-68-172.6-179.7-169.40.4108.7V251 R255V251-R253 PolarHBondContact O-N 2.92Å; R253-R255 PolarHBondContact O-N 2.75Å
254R47Very low59Low228 Ų228110 Ų11086%0.8652%0.522SS*.PPolyproline II helixtrans-56127169.2-66.5-175-179.1-1690.3107.7T252T252-R254 PolarHBondContact O-N 2.82Å
255R57.3Low61.8Low237 Ų237100.9 Ų100.989%0.89449%0.491SS*.PPolyproline II helixtrans-81.4130.8171.1-66.2-174.5-179.9-163.20.4107.9R253R253-R255 PolarHBondContact O-N 2.75Å
256H74.8Confident64.4Low85 Ų8591.5 Ų91.539%0.39446%0.455SS..PPolyproline II helixtrans-85.3157171.8-64.8-85.5000109.2P258 G389 T392H256-P258 WeakPolarHBondContact O-CD 3.39Å; H256-G389 PolarHBondContact N-O 2.76Å; H256-G389 VanDerWaalsContact O-CA 3.22Å; H256-G389 WeakPolarHBondContact O-CA 3.42Å; H256-T392 HydrophobicContact CB-CG2 4.5Å; H256-T392 WeakPolarHBondContact CE1-CG2 3.43Å; H256-T392 VanDerWaalsContact ND1-CG2 3.33Å; H256-T392 WeakPolarHBondContact ND1-CG2 3.45Å
257A79.3Confident66.9Low44 Ų4482.6 Ų82.636%0.36443%0.43SS..PPolyproline II helixtrans-61.5126.517500000109.8V260 F646A257-V260 HydrophobicContact CB-CB 4.3Å; A257-V260 HydrophobicContact CB-CG2 3.71Å; A257-V260 WeakPolarHBondContact O-CB 3.43Å; A257-V260 PolarHBondContact O-N 3.19Å; A257-V260 VanDerWaalsContact O-N 3.17Å; A257-F646 HydrophobicContact CB-CZ 4.35Å
258P87.4Confident69.6Low41 Ų4180.9 Ų80.927%0.26641%0.414SS..THydrogen-bonded Turntrans-51.7142.8173.6-28.436.9000112.3H256 V260 W387 N641 E643H256-P258 WeakPolarHBondContact O-CD 3.39Å; P258-V260 PolarHBondContact O-N 3.48Å; P258-V260 VanDerWaalsContact O-N 3.17Å; P258-W387 HydrophobicContact CB-CE3 3.78Å; P258-W387 HydrophobicContact CB-CZ3 4.37Å; P258-N641 PolarHBondContact O-ND2 2.91Å; P258-E643 WeakPolarHBondContact CB-OE2 3.48Å
259G84.9Confident72.4Confident0 Ų075.1 Ų75.10%038%0.379CS..THydrogen-bonded Turntrans80.1-21-177.300000114.5T261 H281 M386 W387G259-T261 PolarHBondContact O-N 3.43Å; G259-H281 PolarHBondContact O-CE1 3.43Å; G259-M386 PolarHBondContact N-O 2.95Å; G259-M386 VanDerWaalsContact N-O 3.1Å; G259-W387 VanDerWaalsContact CA-CE2 3.42Å
260V92.3Very high75.4Confident32 Ų3266.7 Ų66.719%0.19434%0.34CS..  trans-83.959.1176.5-164.20000110.6A257 P258 F646 V648 M655A257-V260 HydrophobicContact CB-CB 4.3Å; A257-V260 HydrophobicContact CB-CG2 3.71Å; A257-V260 WeakPolarHBondContact O-CB 3.43Å; A257-V260 PolarHBondContact O-N 3.19Å; A257-V260 VanDerWaalsContact O-N 3.17Å; P258-V260 PolarHBondContact O-N 3.48Å; P258-V260 VanDerWaalsContact O-N 3.17Å; V260-F646 HydrophobicContact CG2-CE2 3.92Å; V260-F646 HydrophobicContact CG2-CZ 3.99Å; V260-V648 HydrophobicContact CG2-CG2 4.38Å; V260-M655 HydrophobicContact CG1-CB 3.92Å
261T91.6Very high78.5Confident0 Ų062.7 Ų62.70%031%0.307CS..  trans-122.9118.6179.9-59.10000109.8G259 Q277 M386 W391 V394G259-T261 PolarHBondContact O-N 3.43Å; T261-Q277 PolarHBondContact O-NE2 2.82Å; T261-M386 HydrophobicContact CG2-CG 4.22Å; T261-M386 PolarHBondContact OG1-O 3.48Å; T261-W391 HydrophobicContact CG2-CB 4.36Å; T261-W391 PolarHBondContact OG1-O 3.05Å; T261-V394 HydrophobicContact CG2-CB 4.17Å; T261-V394 HydrophobicContact CG2-CG2 3.47Å; T261-V394 VanDerWaalsContact CG2-CG2 3.47Å
262G92.1Very high81.5Confident0 Ų057 Ų570%027%0.272CS..EExtended strand (participates in β ladder)trans-70.5155.217400000112.4T392 L393 V394 D652G262-T392 PolarHBondContact N-O 2.93Å; G262-L393 CarbonylContact O-C 3.55Å; G262-L393 WeakPolarHBondContact O-CA 3.41Å; G262-V394 PolarHBondContact O-N 2.78Å; G262-D652 CarbonylContact C-O 3.49Å; G262-D652 VanDerWaalsContact CA-O 3.26Å; G262-D652 WeakPolarHBondContact CA-O 3.44Å
263L94.8Very high84.4Confident0 Ų050.6 Ų50.60%023%0.233CC..EExtended strand (participates in β ladder)trans-108133.6172.8-64.1-179.4000109.9N265 N273 L276 Q277 L382 M386 V394 P396 D652 S653L263-N265 PolarHBondContact O-N 3.14Å; L263-N273 HydrophobicContact CB-CB 4.16Å; L263-N273 HydrophobicContact CD1-CB 4.17Å; L263-L276 HydrophobicContact CD1-CB 3.93Å; L263-L276 HydrophobicContact CD1-CD1 4.4Å; L263-Q277 HydrophobicContact CD1-CG 4.12Å; L263-L382 HydrophobicContact CD2-CD1 4.03Å; L263-M386 HydrophobicContact CD2-CE 4.47Å; L263-M386 HydrophobicContact CD2-CG 4.45Å; L263-M386 HydrophobicContact CD2-SD 4.05Å; L263-V394 CarbonylContact C-O 3.52Å; L263-V394 WeakPolarHBondContact CA-O 3.48Å; L263-V394 HydrophobicContact CD2-CB 4.31Å; L263-P396 HydrophobicContact CB-CG 4.33Å; L263-P396 HydrophobicContact CD2-CB 4.48Å; L263-D652 PolarHBondContact N-O 3.33Å; L263-D652 CarbonylContact O-C 3.55Å; L263-D652 WeakPolarHBondContact O-CA 3.21Å; L263-D652 WeakPolarHBondContact O-CB 3.17Å; L263-S653 WeakPolarHBondContact O-CA 3.43Å; L263-S653 PolarHBondContact O-N 3.2Å; L263-S653 PolarHBondContact O-OG 3.48Å
264R89.1Confident87Confident82 Ų8243.2 Ų43.231%0.30921%0.205SC..  trans-65131.9175.6-169.6172-74.4-144.63.9109.5D81 L266 N273 L393 V394 S653D81-R264 IonicContact OD2-NH1 3.28Å; D81-R264 PolarHBondContact OD2-NH1 2.9Å; D81-R264 VanDerWaalsContact OD2-NH1 3.13Å; R264-L266 HydrophobicContact CB-CD2 4.37Å; R264-L266 HydrophobicContact CG-CD2 4.08Å; R264-L266 PolarHBondContact O-N 3.09Å; R264-N273 PolarHBondContact O-ND2 3.22Å; R264-N273 VanDerWaalsContact O-ND2 3.09Å; R264-L393 HydrophobicContact CB-CD1 4.43Å; R264-V394 PolarHBondContact N-O 2.85Å; R264-S653 WeakPolarHBondContact CA-OG 3.49Å
265N90.6Very high89.4Confident39 Ų3932.3 Ų32.321%0.20916%0.164CC..  trans-76121.3167.6-168.1-36.9000108.7L263 G267 T269 D652L263-N265 PolarHBondContact O-N 3.14Å; N265-G267 PolarHBondContact OD1-N 3.44Å; N265-G267 PolarHBondContact OD1-O 3.4Å; N265-G267 VanDerWaalsContact OD1-O 3.05Å; N265-T269 PolarHBondContact OD1-N 3.41Å; N265-D652 HydrophobicContact CB-CB 4.08Å; N265-D652 WeakPolarHBondContact CB-OD2 3.28Å; N265-D652 PolarHBondContact ND2-OD2 2.98Å
266L86.3Confident91.4Very high11 Ų1121 Ų216%0.05812%0.122CC..  trans-101.736.1-177.7-57.5172.7000111.2R264 T269 P396 F397 L400 Y413R264-L266 HydrophobicContact CB-CD2 4.37Å; R264-L266 HydrophobicContact CG-CD2 4.08Å; R264-L266 PolarHBondContact O-N 3.09Å; L266-T269 HydrophobicContact CB-CG2 3.83Å; L266-T269 PolarHBondContact N-OG1 3.27Å; L266-P396 HydrophobicContact CD1-CG 4.34Å; L266-F397 HydrophobicContact CD1-CB 4.02Å; L266-F397 HydrophobicContact CD1-CD2 4.23Å; L266-L400 HydrophobicContact CB-CD2 3.98Å; L266-L400 HydrophobicContact CD1-CD2 3.82Å; L266-Y413 VanDerWaalsContact O-CD1 3.25Å; L266-Y413 WeakPolarHBondContact O-CD1 3.47Å; L266-Y413 WeakPolarHBondContact O-CE1 3.44Å
267G84.9Confident92.5Very high35 Ų3517.1 Ų17.136%0.36110%0.104SC..SBendtrans121.7-84.3177.900000111.4N265N265-G267 PolarHBondContact OD1-N 3.44Å; N265-G267 PolarHBondContact OD1-O 3.4Å; N265-G267 VanDerWaalsContact OD1-O 3.05Å
268N90.9Very high93.4Very high54 Ų5415.1 Ų15.129%0.2899%0.087SC..SBendtrans-12126.7176.1-79.1-49.9000112C270 Y271 Y413 Q415N268-C270 PolarHBondContact O-N 2.83Å; N268-Y271 WeakPolarHBondContact O-CD1 3.34Å; N268-Y271 WeakPolarHBondContact O-CE1 3.13Å; N268-Y413 WeakPolarHBondContact CB-O 3.28Å; N268-Y413 PolarHBondContact ND2-O 2.99Å; N268-Q415 HydrophobicContact CB-CG 4.04Å; N268-Q415 WeakPolarHBondContact OD1-CG 3.45Å; N268-Q415 PolarHBondContact OD1-NE2 3.04Å
269T94.9Very high93.9Very high4 Ų413.1 Ų13.13%0.0257%0.074CC..THydrogen-bonded Turntrans-83.411.5-171.965.60000114.7N265 L266 Y271 M272 N273 L400N265-T269 PolarHBondContact OD1-N 3.41Å; L266-T269 HydrophobicContact CB-CG2 3.83Å; L266-T269 PolarHBondContact N-OG1 3.27Å; T269-Y271 VanDerWaalsContact C-N 3.28Å; T269-Y271 PolarHBondContact O-N 2.83Å; T269-M272 HydrophobicContact CG2-CE 4.41Å; T269-M272 WeakPolarHBondContact O-CB 3.39Å; T269-M272 PolarHBondContact O-N 2.88Å; T269-M272 VanDerWaalsContact O-N 3.15Å; T269-N273 WeakPolarHBondContact O-CB 3.36Å; T269-N273 VanDerWaalsContact O-CG 3.29Å; T269-N273 PolarHBondContact O-N 3.03Å; T269-N273 PolarHBondContact OG1-ND2 2.98Å; T269-L400 HydrophobicContact CG2-CD1 3.78Å; T269-L400 HydrophobicContact CG2-CD2 3.88Å; T269-L400 HydrophobicContact CG2-CG 4.47Å
270C96.5Very high94.4Very high5 Ų513.1 Ų13.13%0.0347%0.074CC..Hα-helixtrans-61.7-33.9-178.957.90000112.9N268 N273 S274 H634 Y635N268-C270 PolarHBondContact O-N 2.83Å; C270-N273 PolarHBondContact O-N 3.42Å; C270-S274 WeakPolarHBondContact O-CB 3.43Å; C270-S274 PolarHBondContact O-N 2.71Å; C270-S274 PolarHBondContact O-OG 2.99Å; C270-H634 VanDerWaalsContact CB-CE1 3.48Å; C270-H634 WeakPolarHBondContact CB-CE1 3.27Å; C270-H634 VanDerWaalsContact CB-ND1 3.28Å; C270-H634 WeakPolarHBondContact CB-ND1 3.34Å; C270-Y635 PolarHBondContact SG-N 2.91Å; C270-Y635 VanDerWaalsContact SG-N 3.41Å
271Y97.1Very high94.6Very high4 Ų411.9 Ų11.92%0.0167%0.066CC..Hα-helixtrans-58.4-51173.273-89000110N268 T269 S274 I275 F410 Q416 F421N268-Y271 WeakPolarHBondContact O-CD1 3.34Å; N268-Y271 WeakPolarHBondContact O-CE1 3.13Å; T269-Y271 VanDerWaalsContact C-N 3.28Å; T269-Y271 PolarHBondContact O-N 2.83Å; Y271-S274 PolarHBondContact O-OG 3.42Å; Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 2.77Å; Y271-F410 AromaticContact CE2-CD1 3.65Å; Y271-F410 HydrophobicContact CE2-CD1 3.65Å; Y271-F410 HydrophobicContact CE2-CE1 4.17Å; Y271-Q416 HydrophobicContact CD1-CB 3.9Å; Y271-Q416 HydrophobicContact CD2-CB 4.04Å; Y271-Q416 HydrophobicContact CE1-CB 3.74Å; Y271-Q416 HydrophobicContact CE1-CG 3.95Å; Y271-Q416 HydrophobicContact CE2-CB 3.9Å; Y271-Q416 HydrophobicContact CE2-CG 4.46Å; Y271-Q416 HydrophobicContact CG-CB 4.06Å; Y271-F421 HydrophobicContact CD2-CB 3.63Å; Y271-F421 HydrophobicContact CD2-CD1 4.03Å; Y271-F421 HydrophobicContact CD2-CD2 4.31Å; Y271-F421 AromaticContact CD2-CG 3.7Å; Y271-F421 HydrophobicContact CD2-CG 3.7Å; Y271-F421 HydrophobicContact CE2-CB 3.84Å; Y271-F421 HydrophobicContact CE2-CD1 4.19Å; Y271-F421 AromaticContact CE2-CD2 3.74Å; Y271-F421 HydrophobicContact CE2-CD2 3.74Å; Y271-F421 HydrophobicContact CE2-CE2 4.41Å; Y271-F421 AromaticContact CE2-CG 3.62Å; Y271-F421 HydrophobicContact CE2-CG 3.62Å
272M97.8Very high94.8Very high0 Ų012.2 Ų12.20%07%0.068CC..Hα-helixtrans-63-48.9177.5178.2-17583.300111.4T269 S274 I275 L276 P396 L400 F421T269-M272 HydrophobicContact CG2-CE 4.41Å; T269-M272 WeakPolarHBondContact O-CB 3.39Å; T269-M272 PolarHBondContact O-N 2.88Å; T269-M272 VanDerWaalsContact O-N 3.15Å; M272-S274 PolarHBondContact O-N 3.47Å; M272-I275 PolarHBondContact O-N 3.43Å; M272-L276 HydrophobicContact CE-CD1 4.14Å; M272-L276 HydrophobicContact CG-CD1 3.62Å; M272-L276 HydrophobicContact CG-CG 4.08Å; M272-L276 VanDerWaalsContact O-CG 3.3Å; M272-L276 WeakPolarHBondContact O-CG 3.44Å; M272-L276 PolarHBondContact O-N 2.86Å; M272-L276 HydrophobicContact SD-CD1 4.2Å; M272-P396 HydrophobicContact CE-CB 4.1Å; M272-P396 HydrophobicContact CE-CG 3.86Å; M272-L400 HydrophobicContact CE-CB 4.07Å; M272-L400 HydrophobicContact CE-CD1 4.14Å; M272-L400 HydrophobicContact SD-CB 4.31Å; M272-L400 HydrophobicContact SD-CD1 3.92Å; M272-F421 HydrophobicContact CB-CD1 4.35Å; M272-F421 HydrophobicContact CB-CE1 3.91Å; M272-F421 HydrophobicContact CB-CZ 4.11Å; M272-F421 HydrophobicContact CG-CE1 3.71Å; M272-F421 HydrophobicContact CG-CE2 4.45Å; M272-F421 HydrophobicContact CG-CZ 3.61Å; M272-F421 HydrophobicContact SD-CZ 4.47Å
273N98.3Very high94.7Very high2 Ų216.2 Ų16.21%0.0119%0.086CC..Hα-helixtrans-60.2-43.5-177.9-72.6-9.5000111.8L263 R264 T269 C270 I275 L276 Q277 P396 D652L263-N273 HydrophobicContact CB-CB 4.16Å; L263-N273 HydrophobicContact CD1-CB 4.17Å; R264-N273 PolarHBondContact O-ND2 3.22Å; R264-N273 VanDerWaalsContact O-ND2 3.09Å; T269-N273 WeakPolarHBondContact O-CB 3.36Å; T269-N273 VanDerWaalsContact O-CG 3.29Å; T269-N273 PolarHBondContact O-N 3.03Å; T269-N273 PolarHBondContact OG1-ND2 2.98Å; C270-N273 PolarHBondContact O-N 3.42Å; N273-I275 PolarHBondContact O-N 3.43Å; N273-L276 PolarHBondContact O-N 3.33Å; N273-Q277 WeakPolarHBondContact O-CB 3.41Å; N273-Q277 WeakPolarHBondContact O-CG 3.45Å; N273-Q277 PolarHBondContact O-N 3.02Å; N273-P396 WeakPolarHBondContact OD1-CG 3.38Å; N273-D652 VanDerWaalsContact CB-OD1 3.32Å; N273-D652 WeakPolarHBondContact CB-OD1 3.23Å; N273-D652 PolarHBondContact ND2-OD1 3.4Å
274S98.4Very high94.4Very high4 Ų419.9 Ų19.93%0.02810%0.102CC..Hα-helixtrans-61.7-42.6176.767.90000112C270 Y271 M272 Q277 V278C270-S274 WeakPolarHBondContact O-CB 3.43Å; C270-S274 PolarHBondContact O-N 2.71Å; C270-S274 PolarHBondContact O-OG 2.99Å; Y271-S274 PolarHBondContact O-OG 3.42Å; M272-S274 PolarHBondContact O-N 3.47Å; S274-Q277 PolarHBondContact O-N 3.15Å; S274-V278 WeakPolarHBondContact O-CG2 3.18Å; S274-V278 PolarHBondContact O-N 3.02Å; S274-V278 VanDerWaalsContact O-N 3.09Å
275I98.5Very high94.5Very high0 Ų016 Ų160%09%0.088CC..Hα-helixtrans-67.4-44.1176.5-67.8-54.4000112.6Y271 M272 N273 Q277 V278 L279 A418 F421 L422 L425 V623 I670Y271-I275 WeakPolarHBondContact O-CG1 3.48Å; Y271-I275 PolarHBondContact O-N 2.77Å; M272-I275 PolarHBondContact O-N 3.43Å; N273-I275 PolarHBondContact O-N 3.43Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 3.24Å; I275-V278 PolarHBondContact O-N 3.34Å; I275-L279 HydrophobicContact CG2-CD1 3.84Å; I275-L279 HydrophobicContact CG2-CG 4.27Å; I275-L279 WeakPolarHBondContact O-CB 3.4Å; I275-L279 WeakPolarHBondContact O-CG 3.3Å; I275-L279 PolarHBondContact O-N 3.31Å; I275-A418 HydrophobicContact CD1-CB 4.32Å; I275-A418 HydrophobicContact CG1-CB 4.16Å; I275-A418 WeakPolarHBondContact CG1-O 3.5Å; I275-F421 HydrophobicContact CB-CD1 3.93Å; I275-F421 HydrophobicContact CB-CE1 4.07Å; I275-F421 HydrophobicContact CG1-CD1 4.08Å; I275-F421 HydrophobicContact CG2-CD1 3.97Å; I275-F421 HydrophobicContact CG2-CE1 3.93Å; I275-L422 HydrophobicContact CD1-CB 3.87Å; I275-L422 HydrophobicContact CD1-CD1 4.39Å; I275-L422 HydrophobicContact CD1-CD2 4.16Å; I275-L422 HydrophobicContact CD1-CG 4.35Å; I275-L422 HydrophobicContact CG1-CB 4.15Å; I275-L422 HydrophobicContact CG2-CB 4.09Å; I275-L422 HydrophobicContact CG2-CD1 3.68Å; I275-L422 HydrophobicContact CG2-CG 4.45Å; I275-L425 HydrophobicContact CG2-CD2 4.41Å; I275-V623 HydrophobicContact CD1-CG2 4.05Å; I275-I670 HydrophobicContact CD1-CD1 4.26Å
276L98.3Very high94.5Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-62.9-38.4177.1-67.5175.1000111.7L263 M272 N273 S280 L379 L382 P396 M399 L425L263-L276 HydrophobicContact CD1-CB 3.93Å; L263-L276 HydrophobicContact CD1-CD1 4.4Å; M272-L276 HydrophobicContact CE-CD1 4.14Å; M272-L276 HydrophobicContact CG-CD1 3.62Å; M272-L276 HydrophobicContact CG-CG 4.08Å; M272-L276 VanDerWaalsContact O-CG 3.3Å; M272-L276 WeakPolarHBondContact O-CG 3.44Å; M272-L276 PolarHBondContact O-N 2.86Å; M272-L276 HydrophobicContact SD-CD1 4.2Å; N273-L276 PolarHBondContact O-N 3.33Å; L276-S280 WeakPolarHBondContact O-CB 3.32Å; L276-S280 PolarHBondContact O-N 2.92Å; L276-S280 PolarHBondContact O-OG 2.92Å; L276-L379 HydrophobicContact CD2-CD2 3.82Å; L276-L382 HydrophobicContact CD1-CD2 3.86Å; L276-L382 HydrophobicContact CD2-CD2 4.49Å; L276-P396 HydrophobicContact CD1-CB 4.47Å; L276-M399 HydrophobicContact CD1-CG 3.98Å; L276-M399 HydrophobicContact CD2-CE 3.68Å; L276-M399 HydrophobicContact CD2-CG 4.4Å; L276-L425 HydrophobicContact CD2-CD2 4.28Å
277Q98.2Very high94.5Very high3 Ų317.7 Ų17.71%0.0149%0.094CC..Hα-helixtrans-60-50.2172.8-73.5-73.812.100111.3T261 L263 N273 S274 I275 S280 H281 C650T261-Q277 PolarHBondContact O-NE2 2.82Å; L263-Q277 HydrophobicContact CD1-CG 4.12Å; N273-Q277 WeakPolarHBondContact O-CB 3.41Å; N273-Q277 WeakPolarHBondContact O-CG 3.45Å; N273-Q277 PolarHBondContact O-N 3.02Å; S274-Q277 PolarHBondContact O-N 3.15Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 3.24Å; Q277-S280 PolarHBondContact O-N 3.5Å; Q277-S280 PolarHBondContact O-OG 3.22Å; Q277-H281 PolarHBondContact O-N 3.35Å; Q277-H281 PolarHBondContact O-ND1 3.02Å; Q277-C650 HydrophobicContact CB-CB 4.06Å; Q277-C650 HydrophobicContact CG-CB 3.8Å
278V98.4Very high94.3Very high1 Ų116.5 Ų16.51%0.0068%0.08CC..Hα-helixtrans-58.3-53177.1172.50000111.6S274 I275 S280 H281 L282 A621 V623 A637 F672S274-V278 WeakPolarHBondContact O-CG2 3.18Å; S274-V278 PolarHBondContact O-N 3.02Å; S274-V278 VanDerWaalsContact O-N 3.09Å; I275-V278 PolarHBondContact O-N 3.34Å; V278-S280 VanDerWaalsContact C-N 3.26Å; V278-S280 PolarHBondContact O-N 2.84Å; V278-H281 PolarHBondContact O-N 3.13Å; V278-L282 HydrophobicContact CG1-CD1 4.39Å; V278-L282 HydrophobicContact CG1-CG 4.4Å; V278-L282 PolarHBondContact O-N 3.47Å; V278-L282 VanDerWaalsContact O-N 3.08Å; V278-A621 HydrophobicContact CB-CB 4.25Å; V278-A621 HydrophobicContact CG1-CB 3.68Å; V278-A621 HydrophobicContact CG2-CB 3.76Å; V278-V623 HydrophobicContact CG2-CG2 3.79Å; V278-A637 HydrophobicContact CG2-CB 3.83Å; V278-F672 HydrophobicContact CG1-CD1 3.72Å; V278-F672 HydrophobicContact CG1-CD2 3.84Å; V278-F672 HydrophobicContact CG1-CE1 3.66Å; V278-F672 HydrophobicContact CG1-CE2 3.81Å; V278-F672 HydrophobicContact CG1-CG 3.8Å; V278-F672 HydrophobicContact CG1-CZ 3.71Å; V278-F672 HydrophobicContact CG2-CE2 4.41Å
279L97.1Very high93.9Very high0 Ų013.9 Ų13.90%07%0.066CC..Hα-helixtrans-58.6-37.1-178.1-70.6175.7000112.2I275 H281 L282 F285 F383 L422 L425 L426 F463I275-L279 HydrophobicContact CG2-CD1 3.84Å; I275-L279 HydrophobicContact CG2-CG 4.27Å; I275-L279 WeakPolarHBondContact O-CB 3.4Å; I275-L279 WeakPolarHBondContact O-CG 3.3Å; I275-L279 PolarHBondContact O-N 3.31Å; L279-H281 VanDerWaalsContact C-N 3.32Å; L279-H281 PolarHBondContact O-N 2.9Å; L279-L282 HydrophobicContact CD2-CD1 4.3Å; L279-F285 HydrophobicContact CB-CD1 4.03Å; L279-F285 HydrophobicContact CB-CE1 3.8Å; L279-F285 HydrophobicContact CB-CZ 4.49Å; L279-F285 HydrophobicContact CD1-CE1 4.36Å; L279-F285 HydrophobicContact CD1-CZ 4.33Å; L279-F285 HydrophobicContact CD2-CD1 4.39Å; L279-F285 HydrophobicContact CD2-CE1 4.15Å; L279-F285 HydrophobicContact CD2-CE2 4.31Å; L279-F285 HydrophobicContact CD2-CZ 4.1Å; L279-F285 HydrophobicContact CG-CE1 4.33Å; L279-F285 WeakPolarHBondContact O-CD1 3.35Å; L279-F383 HydrophobicContact CB-CZ 4Å; L279-L422 HydrophobicContact CD1-CD1 4.26Å; L279-L422 HydrophobicContact CD2-CD1 4.08Å; L279-L422 HydrophobicContact CG-CD1 4.33Å; L279-L425 HydrophobicContact CD1-CD2 3.8Å; L279-L426 HydrophobicContact CD2-CD2 4.35Å; L279-F463 HydrophobicContact CD2-CE2 4.35Å; L279-F463 HydrophobicContact CD2-CZ 3.82Å
280S96.3Very high93.2Very high0 Ų016.7 Ų16.70%08%0.08CC..Hα-helixtrans-70.3-24.9175.779.60000113.9L276 Q277 V278 R286 F383 M386 W387L276-S280 WeakPolarHBondContact O-CB 3.32Å; L276-S280 PolarHBondContact O-N 2.92Å; L276-S280 PolarHBondContact O-OG 2.92Å; Q277-S280 PolarHBondContact O-N 3.5Å; Q277-S280 PolarHBondContact O-OG 3.22Å; V278-S280 VanDerWaalsContact C-N 3.26Å; V278-S280 PolarHBondContact O-N 2.84Å; S280-R286 WeakPolarHBondContact O-CB 3.24Å; S280-R286 WeakPolarHBondContact O-CD 3.45Å; S280-R286 PolarHBondContact O-NH1 2.92Å; S280-F383 VanDerWaalsContact CB-CE1 3.48Å; S280-M386 WeakPolarHBondContact OG-CE 3.17Å; S280-W387 WeakPolarHBondContact O-CZ2 3.49Å; S280-W387 PolarHBondContact O-NE1 3.41Å
281H96.4Very high91.8Very high5 Ų521 Ų212%0.02311%0.106CC..Hα-helixtrans-88.2-21.3178.9-75.775.7000113.1G259 Q277 V278 L279 Q283 W387 C639G259-H281 PolarHBondContact O-CE1 3.43Å; Q277-H281 PolarHBondContact O-N 3.35Å; Q277-H281 PolarHBondContact O-ND1 3.02Å; V278-H281 PolarHBondContact O-N 3.13Å; L279-H281 VanDerWaalsContact C-N 3.32Å; L279-H281 PolarHBondContact O-N 2.9Å; H281-Q283 PolarHBondContact O-N 2.89Å; H281-W387 AromaticContact CD2-CZ2 3.72Å; H281-W387 AromaticContact CE1-CZ2 4Å; H281-W387 AromaticContact CG-CZ2 3.86Å; H281-W387 AromaticContact NE2-CZ2 3.81Å; H281-C639 HydrophobicContact CB-CB 3.72Å; H281-C639 VanDerWaalsContact CG-CB 3.41Å
282L94.9Very high90.1Very high7 Ų721 Ų214%0.03711%0.107CC..SBendtrans-6695169.4-65.5178000110.3V278 L279 K284 F285 R286 F463 V567 F672V278-L282 HydrophobicContact CG1-CD1 4.39Å; V278-L282 HydrophobicContact CG1-CG 4.4Å; V278-L282 PolarHBondContact O-N 3.47Å; V278-L282 VanDerWaalsContact O-N 3.08Å; L279-L282 HydrophobicContact CD2-CD1 4.3Å; L282-K284 PolarHBondContact O-N 3.12Å; L282-F285 HydrophobicContact CB-CB 4Å; L282-F285 WeakPolarHBondContact O-CA 3.34Å; L282-F285 WeakPolarHBondContact O-CB 3.47Å; L282-F285 PolarHBondContact O-N 3.41Å; L282-R286 PolarHBondContact O-N 3.46Å; L282-F463 HydrophobicContact CD1-CE1 3.78Å; L282-F463 HydrophobicContact CD1-CZ 3.68Å; L282-V567 HydrophobicContact CD1-CG1 4.14Å; L282-V567 HydrophobicContact CD2-CG1 4.04Å; L282-V567 HydrophobicContact CD2-CG2 4.25Å; L282-F672 HydrophobicContact CD1-CD1 4.21Å
283Q91.1Very high87.9Confident85 Ų8524.7 Ų24.740%0.39713%0.127SC..Hα-helixtrans-43.9-55-170.6178.4179.10.300114.1H281 F285 R286 E287 T642H281-Q283 PolarHBondContact O-N 2.89Å; Q283-F285 VanDerWaalsContact C-N 3.28Å; Q283-F285 PolarHBondContact O-N 3.04Å; Q283-R286 WeakPolarHBondContact O-CB 3.45Å; Q283-R286 PolarHBondContact O-N 3.03Å; Q283-E287 HydrophobicContact CG-CG 4.21Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.17Å; Q283-E287 PolarHBondContact NE2-OE1 3.48Å; Q283-E287 WeakPolarHBondContact O-CB 3.27Å; Q283-E287 VanDerWaalsContact O-CG 3.31Å; Q283-E287 WeakPolarHBondContact O-CG 3.32Å; Q283-E287 PolarHBondContact O-N 3.08Å; Q283-T642 HydrophobicContact CB-CG2 4.14Å
284K88.6Confident85.7Confident76 Ų7626.3 Ų26.333%0.3314%0.135SC..Hα-helixtrans-67.4-27.2-176.6-67.8175.9179.5170.30113.2L282 C288 I462 Q566L282-K284 PolarHBondContact O-N 3.12Å; K284-C288 WeakPolarHBondContact O-CB 3.35Å; K284-C288 PolarHBondContact O-N 2.65Å; K284-I462 HydrophobicContact CB-CD1 4.17Å; K284-Q566 VanDerWaalsContact CD-CD 3.48Å; K284-Q566 HydrophobicContact CD-CG 4.49Å; K284-Q566 VanDerWaalsContact NZ-NE2 3.15Å
285F90.3Very high83Confident1 Ų129.5 Ų29.50%0.00416%0.157CC..Hα-helixtrans-72.8-50.7171.3-171.9-90000109.9L279 L282 Q283 E287 C288 F289 F383 L426 L459 I462 F463L279-F285 HydrophobicContact CB-CD1 4.03Å; L279-F285 HydrophobicContact CB-CE1 3.8Å; L279-F285 HydrophobicContact CB-CZ 4.49Å; L279-F285 HydrophobicContact CD1-CE1 4.36Å; L279-F285 HydrophobicContact CD1-CZ 4.33Å; L279-F285 HydrophobicContact CD2-CD1 4.39Å; L279-F285 HydrophobicContact CD2-CE1 4.15Å; L279-F285 HydrophobicContact CD2-CE2 4.31Å; L279-F285 HydrophobicContact CD2-CZ 4.1Å; L279-F285 HydrophobicContact CG-CE1 4.33Å; L279-F285 WeakPolarHBondContact O-CD1 3.35Å; L282-F285 HydrophobicContact CB-CB 4Å; L282-F285 WeakPolarHBondContact O-CA 3.34Å; L282-F285 WeakPolarHBondContact O-CB 3.47Å; L282-F285 PolarHBondContact O-N 3.41Å; Q283-F285 VanDerWaalsContact C-N 3.28Å; Q283-F285 PolarHBondContact O-N 3.04Å; F285-E287 PolarHBondContact O-N 3.27Å; F285-C288 WeakPolarHBondContact O-CB 3.44Å; F285-C288 PolarHBondContact O-N 3.28Å; F285-F289 HydrophobicContact CD1-CD2 4.04Å; F285-F289 HydrophobicContact CD1-CE2 4.17Å; F285-F289 HydrophobicContact CD2-CE2 4.3Å; F285-F289 AromaticContact CE1-CD2 3.79Å; F285-F289 HydrophobicContact CE1-CD2 3.79Å; F285-F289 AromaticContact CE1-CE2 3.64Å; F285-F289 HydrophobicContact CE1-CE2 3.64Å; F285-F289 AromaticContact CE2-CE2 3.82Å; F285-F289 HydrophobicContact CE2-CE2 3.82Å; F285-F289 HydrophobicContact CG-CE2 4.48Å; F285-F289 HydrophobicContact CZ-CD2 4.11Å; F285-F289 AromaticContact CZ-CE2 3.45Å; F285-F289 HydrophobicContact CZ-CE2 3.45Å; F285-F289 VanDerWaalsContact CZ-CE2 3.45Å; F285-F289 HydrophobicContact CZ-CZ 4.23Å; F285-F289 WeakPolarHBondContact O-CD2 3.46Å; F285-F289 PolarHBondContact O-N 3.46Å; F285-F383 AromaticContact CD1-CE2 3.65Å; F285-F383 HydrophobicContact CD1-CE2 3.65Å; F285-F383 HydrophobicContact CD1-CZ 4.05Å; F285-F383 AromaticContact CE1-CE2 3.57Å; F285-F383 HydrophobicContact CE1-CE2 3.57Å; F285-F383 AromaticContact CE1-CZ 3.73Å; F285-F383 HydrophobicContact CE1-CZ 3.73Å; F285-L426 HydrophobicContact CE2-CD2 3.73Å; F285-L426 HydrophobicContact CZ-CD2 4.01Å; F285-L459 HydrophobicContact CD2-CD2 3.52Å; F285-L459 HydrophobicContact CE2-CD2 3.27Å; F285-L459 HydrophobicContact CZ-CD2 4.34Å; F285-I462 HydrophobicContact CB-CD1 4.1Å; F285-I462 HydrophobicContact CD2-CD1 4.44Å; F285-F463 AromaticContact CD2-CE2 3.56Å; F285-F463 HydrophobicContact CD2-CE2 3.56Å; F285-F463 HydrophobicContact CD2-CZ 4.07Å; F285-F463 AromaticContact CE2-CE2 3.73Å; F285-F463 HydrophobicContact CE2-CE2 3.73Å; F285-F463 HydrophobicContact CE2-CZ 4.45Å
286R91.3Very high80.3Confident3 Ų334.7 Ų34.71%0.01118%0.181CC..Hα-helixtrans-52.8-55.7175.3175.3176.973.2-106.412.4111.9S280 L282 Q283 C288 F289 L290 W387 T642 E643S280-R286 WeakPolarHBondContact O-CB 3.24Å; S280-R286 WeakPolarHBondContact O-CD 3.45Å; S280-R286 PolarHBondContact O-NH1 2.92Å; L282-R286 PolarHBondContact O-N 3.46Å; Q283-R286 WeakPolarHBondContact O-CB 3.45Å; Q283-R286 PolarHBondContact O-N 3.03Å; R286-C288 PolarHBondContact O-N 3.22Å; R286-F289 CarbonylContact O-C 3.49Å; R286-F289 PolarHBondContact O-N 3.4Å; R286-L290 HydrophobicContact CG-CD1 3.58Å; R286-L290 HydrophobicContact CG-CG 3.88Å; R286-L290 WeakPolarHBondContact O-CG 3.25Å; R286-L290 PolarHBondContact O-N 2.99Å; R286-W387 VanDerWaalsContact CD-CE2 3.44Å; R286-W387 VanDerWaalsContact CD-CG 3.42Å; R286-T642 PolarHBondContact NH2-OG1 3.46Å; R286-T642 VanDerWaalsContact NH2-OG1 3.16Å; R286-E643 IonicContact CZ-OE1 3.84Å; R286-E643 IonicContact NE-OE1 2.6Å; R286-E643 IonicContact NH2-OE1 2.81Å; R286-E643 PolarHBondContact NH2-OE1 3.33Å
287E85.9Confident77.4Confident82 Ų8236.5 Ų36.538%0.38319%0.192SC..Hα-helixtrans-55.5-40.5-179.5-74.9170.5174.600111.4Q283 F285 F289 L290 T291Q283-E287 HydrophobicContact CG-CG 4.21Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.17Å; Q283-E287 PolarHBondContact NE2-OE1 3.48Å; Q283-E287 WeakPolarHBondContact O-CB 3.27Å; Q283-E287 VanDerWaalsContact O-CG 3.31Å; Q283-E287 WeakPolarHBondContact O-CG 3.32Å; Q283-E287 PolarHBondContact O-N 3.08Å; F285-E287 PolarHBondContact O-N 3.27Å; E287-F289 VanDerWaalsContact C-N 3.33Å; E287-F289 PolarHBondContact O-N 2.89Å; E287-L290 PolarHBondContact O-N 2.88Å; E287-T291 WeakPolarHBondContact O-CB 3.44Å; E287-T291 WeakPolarHBondContact O-CG2 3.16Å; E287-T291 PolarHBondContact O-N 2.88Å; E287-T291 PolarHBondContact O-OG1 3.43Å
288C82Confident74.7Confident10 Ų1041.6 Ų41.67%0.06822%0.216CC..Hα-helixtrans-60-41.5177-156.90000112.5K284 F285 R286 T291 L292 V455 V458K284-C288 WeakPolarHBondContact O-CB 3.35Å; K284-C288 PolarHBondContact O-N 2.65Å; F285-C288 WeakPolarHBondContact O-CB 3.44Å; F285-C288 PolarHBondContact O-N 3.28Å; R286-C288 PolarHBondContact O-N 3.22Å; C288-T291 PolarHBondContact O-OG1 3.24Å; C288-L292 WeakPolarHBondContact O-CG 3.28Å; C288-L292 PolarHBondContact O-N 3.47Å; C288-V455 VanDerWaalsContact SG-CA 3.59Å; C288-V455 WeakPolarHBondContact SG-CG2 3.44Å; C288-V458 HydrophobicContact CB-CG1 4.16Å
289F82.1Confident71.8Confident0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-79.5-31.5175.3-77.2-86.1000113.7F285 R286 E287 T291 L292 C376 L379 H380 F383 V429 L459F285-F289 HydrophobicContact CD1-CD2 4.04Å; F285-F289 HydrophobicContact CD1-CE2 4.17Å; F285-F289 HydrophobicContact CD2-CE2 4.3Å; F285-F289 AromaticContact CE1-CD2 3.79Å; F285-F289 HydrophobicContact CE1-CD2 3.79Å; F285-F289 AromaticContact CE1-CE2 3.64Å; F285-F289 HydrophobicContact CE1-CE2 3.64Å; F285-F289 AromaticContact CE2-CE2 3.82Å; F285-F289 HydrophobicContact CE2-CE2 3.82Å; F285-F289 HydrophobicContact CG-CE2 4.48Å; F285-F289 HydrophobicContact CZ-CD2 4.11Å; F285-F289 AromaticContact CZ-CE2 3.45Å; F285-F289 HydrophobicContact CZ-CE2 3.45Å; F285-F289 VanDerWaalsContact CZ-CE2 3.45Å; F285-F289 HydrophobicContact CZ-CZ 4.23Å; F285-F289 WeakPolarHBondContact O-CD2 3.46Å; F285-F289 PolarHBondContact O-N 3.46Å; R286-F289 CarbonylContact O-C 3.49Å; R286-F289 PolarHBondContact O-N 3.4Å; E287-F289 VanDerWaalsContact C-N 3.33Å; E287-F289 PolarHBondContact O-N 2.89Å; F289-T291 VanDerWaalsContact C-N 3.32Å; F289-L292 HydrophobicContact CD1-CD1 3.61Å; F289-L292 HydrophobicContact CE1-CD1 3.95Å; F289-L292 HydrophobicContact CG-CD1 4.32Å; F289-L292 WeakPolarHBondContact O-CB 3.42Å; F289-L292 PolarHBondContact O-N 3.1Å; F289-C376 HydrophobicContact CE1-CB 4.16Å; F289-L379 HydrophobicContact CD1-CB 3.89Å; F289-L379 HydrophobicContact CE1-CB 4.01Å; F289-L379 HydrophobicContact CE1-CD1 4.11Å; F289-L379 HydrophobicContact CG-CB 4.44Å; F289-L379 HydrophobicContact CZ-CD1 4.06Å; F289-H380 PolarHBondContact O-ND1 3.45Å; F289-F383 HydrophobicContact CB-CD2 3.89Å; F289-F383 HydrophobicContact CB-CE2 4.32Å; F289-F383 HydrophobicContact CD2-CE2 4.25Å; F289-F383 HydrophobicContact CG-CD2 4.44Å; F289-F383 HydrophobicContact CG-CE2 4.41Å; F289-V429 HydrophobicContact CZ-CG1 3.83Å; F289-L459 HydrophobicContact CE2-CD2 4.34Å
290L79.3Confident68.9Low62 Ų6251.5 Ų51.533%0.32526%0.264SS..Hα-helixtrans-71-27.5175.3-67.7-175.4000112.7R286 E287 F383 R384R286-L290 HydrophobicContact CG-CD1 3.58Å; R286-L290 HydrophobicContact CG-CG 3.88Å; R286-L290 WeakPolarHBondContact O-CG 3.25Å; R286-L290 PolarHBondContact O-N 2.99Å; E287-L290 PolarHBondContact O-N 2.88Å; L290-F383 HydrophobicContact CD2-CB 4.1Å; L290-R384 HydrophobicContact CD2-CB 4.26Å; L290-R384 HydrophobicContact CD2-CG 3.51Å
291T67.3Low66.3Low95 Ų9554.9 Ų54.958%0.58328%0.282SS*.THydrogen-bonded Turntrans-89.2-4.9175.454.60000114.1E287 C288 F289 D293E287-T291 WeakPolarHBondContact O-CB 3.44Å; E287-T291 WeakPolarHBondContact O-CG2 3.16Å; E287-T291 PolarHBondContact O-N 2.88Å; E287-T291 PolarHBondContact O-OG1 3.43Å; C288-T291 PolarHBondContact O-OG1 3.24Å; F289-T291 VanDerWaalsContact C-N 3.32Å; T291-D293 PolarHBondContact O-N 3.48Å
292L61Low63.6Low5 Ų557.3 Ų57.33%0.02630%0.303CS..  trans-6798.8165.6-79.4174.4000109.6C288 F289 L294 H380 L451 V455C288-L292 WeakPolarHBondContact O-CG 3.28Å; C288-L292 PolarHBondContact O-N 3.47Å; F289-L292 HydrophobicContact CD1-CD1 3.61Å; F289-L292 HydrophobicContact CE1-CD1 3.95Å; F289-L292 HydrophobicContact CG-CD1 4.32Å; F289-L292 WeakPolarHBondContact O-CB 3.42Å; F289-L292 PolarHBondContact O-N 3.1Å; L292-L294 VanDerWaalsContact C-N 3.34Å; L292-L294 HydrophobicContact CB-CD2 4.3Å; L292-L294 HydrophobicContact CB-CG 4.14Å; L292-L294 PolarHBondContact O-N 2.92Å; L292-H380 PolarHBondContact O-CE1 2.69Å; L292-H380 PolarHBondContact O-ND1 2.92Å; L292-H380 VanDerWaalsContact O-ND1 3.12Å; L292-L451 HydrophobicContact CD2-CD2 3.91Å; L292-L451 HydrophobicContact CD2-CG 3.89Å; L292-V455 HydrophobicContact CD1-CG2 4.46Å; L292-V455 HydrophobicContact CD2-CG2 3.53Å; L292-V455 HydrophobicContact CG-CG2 3.97Å
293D51.7Low60.9Low77 Ų7763.1 Ų63.141%0.41233%0.328SS..  trans-76.989.8166.8-162.3-25000110.4T291 C295 E296 K448T291-D293 PolarHBondContact O-N 3.48Å; D293-C295 WeakPolarHBondContact OD1-CB 3.26Å; D293-C295 PolarHBondContact OD1-N 3.33Å; D293-E296 PolarHBondContact OD1-N 2.81Å; D293-K448 WeakPolarHBondContact O-CE 3.41Å
294L53Low58.3Low37 Ų3763.4 Ų63.419%0.19434%0.336CS..  trans-82.4-15.7173.7-58.5-179.5000112.3L292 T297 H377 H380L292-L294 VanDerWaalsContact C-N 3.34Å; L292-L294 HydrophobicContact CB-CD2 4.3Å; L292-L294 HydrophobicContact CB-CG 4.14Å; L292-L294 PolarHBondContact O-N 2.92Å; L294-T297 WeakPolarHBondContact O-CB 3.43Å; L294-T297 PolarHBondContact O-N 3.41Å; L294-T297 PolarHBondContact O-OG1 3.38Å; L294-H377 HydrophobicContact CD1-CB 4.08Å; L294-H380 HydrophobicContact CD1-CB 3.83Å
295C42.1Very low55.8Low71 Ų7166 Ų6648%0.4835%0.353SS..Hα-helixtrans-73.1-36.4-175.4-77.90000112.7D293 T297 E298D293-C295 WeakPolarHBondContact OD1-CB 3.26Å; D293-C295 PolarHBondContact OD1-N 3.33Å; C295-T297 PolarHBondContact O-N 3.2Å; C295-E298 PolarHBondContact O-N 2.92Å
296E40.2Very low53.3Low109 Ų10974.3 Ų74.351%0.50939%0.392SS..Hα-helixtrans-62.2-7.4173.8-73.5-165.6151.700113.8D293 L300 K448D293-E296 PolarHBondContact OD1-N 2.81Å; E296-L300 WeakPolarHBondContact O-CD1 3.27Å; E296-L300 WeakPolarHBondContact O-CG 3.27Å; E296-K448 PolarHBondContact O-NZ 2.87Å
297T38.4Very low50.5Low38 Ų3878.2 Ų78.223%0.23342%0.419CS..Hα-helixtrans-77.2-43.8-178.3-31.70000111.8L294 C295 L301 K448L294-T297 WeakPolarHBondContact O-CB 3.43Å; L294-T297 PolarHBondContact O-N 3.41Å; L294-T297 PolarHBondContact O-OG1 3.38Å; C295-T297 PolarHBondContact O-N 3.2Å; T297-L301 HydrophobicContact CG2-CD1 4.09Å; T297-L301 VanDerWaalsContact O-CG 3.32Å; T297-L301 WeakPolarHBondContact O-CG 3.36Å; T297-L301 PolarHBondContact O-N 2.86Å; T297-K448 VanDerWaalsContact CA-NZ 3.34Å; T297-K448 HydrophobicContact CG2-CD 3.92Å; T297-K448 WeakPolarHBondContact OG1-CE 3.33Å; T297-K448 PolarHBondContact OG1-NZ 3.12Å
298E40.5Very low47.9Very low109 Ų10983.4 Ų83.451%0.50944%0.444SS..Hα-helixtrans-78.3-39.4-170.2-59.9-173125.200110.8C295 L300 L301 A302 Q371C295-E298 PolarHBondContact O-N 2.92Å; E298-L300 PolarHBondContact O-N 3.06Å; E298-L301 PolarHBondContact O-N 2.89Å; E298-A302 VanDerWaalsContact O-CB 3.23Å; E298-A302 WeakPolarHBondContact O-CB 3.37Å; E298-A302 PolarHBondContact O-N 2.85Å; E298-Q371 PolarHBondContact OE1-NE2 2.92Å
299E37.8Very low45.3Very low124 Ų12486.7 Ų86.758%0.57948%0.48SS*.Hα-helixtrans-62-38.9175.3-77.4-157.6-162.400113.7K303E299-K303 WeakPolarHBondContact O-CB 3.22Å; E299-K303 WeakPolarHBondContact O-CD 3.47Å; E299-K303 WeakPolarHBondContact O-CG 3.36Å; E299-K303 PolarHBondContact O-N 2.82Å; E299-K303 VanDerWaalsContact O-N 3.16Å; E299-K303 IonicContact OE2-NZ 3.83Å; E299-K303 PolarHBondContact OE2-NZ 3.34Å
300L37.3Very low42.8Very low85 Ų8593.3 Ų93.345%0.44552%0.52SS..Hα-helixtrans-74.7-37.3-179.7-70.4176000111.8E296 E298 K303 T304E296-L300 WeakPolarHBondContact O-CD1 3.27Å; E296-L300 WeakPolarHBondContact O-CG 3.27Å; E298-L300 PolarHBondContact O-N 3.06Å; L300-K303 PolarHBondContact O-N 2.74Å; L300-T304 PolarHBondContact O-N 3.22Å; L300-T304 PolarHBondContact O-OG1 2.92Å
301L40.2Very low40.4Very low71 Ų71100.2 Ų100.237%0.37255%0.547SS..Hα-helixtrans-71-34.9175.1-70.4170.9000112.4T297 E298 K303 T304 N305 V443T297-L301 HydrophobicContact CG2-CD1 4.09Å; T297-L301 VanDerWaalsContact O-CG 3.32Å; T297-L301 WeakPolarHBondContact O-CG 3.36Å; T297-L301 PolarHBondContact O-N 2.86Å; E298-L301 PolarHBondContact O-N 2.89Å; L301-K303 VanDerWaalsContact C-N 3.33Å; L301-T304 PolarHBondContact O-N 3.36Å; L301-T304 PolarHBondContact O-OG1 3.11Å; L301-N305 VanDerWaalsContact O-CG 3.31Å; L301-N305 PolarHBondContact O-N 2.76Å; L301-N305 PolarHBondContact O-ND2 2.84Å; L301-V443 HydrophobicContact CD2-CG1 4.29Å
302A40.9Very low38.3Very low57 Ų5798.8 Ų98.847%0.47155%0.551SS.*Hα-helixtrans-65-37172.700000112.1E298E298-A302 VanDerWaalsContact O-CB 3.23Å; E298-A302 WeakPolarHBondContact O-CB 3.37Å; E298-A302 PolarHBondContact O-N 2.85Å
303K38.6Very low36.7Very low129 Ų129105.5 Ų105.556%0.56159%0.592SS**Hα-helixtrans-70.8-32.5178-73.3162.1-169.2159.10112.8E299 L300 L301E299-K303 WeakPolarHBondContact O-CB 3.22Å; E299-K303 WeakPolarHBondContact O-CD 3.47Å; E299-K303 WeakPolarHBondContact O-CG 3.36Å; E299-K303 PolarHBondContact O-N 2.82Å; E299-K303 VanDerWaalsContact O-N 3.16Å; E299-K303 IonicContact OE2-NZ 3.83Å; E299-K303 PolarHBondContact OE2-NZ 3.34Å; L300-K303 PolarHBondContact O-N 2.74Å; L301-K303 VanDerWaalsContact C-N 3.33Å
304T36.6Very low35.4Very low90 Ų90108.3 Ų108.355%0.55261%0.612SS**Hα-helixtrans-75.3-22.9176.648.20000114.4L300 L301 H306L300-T304 PolarHBondContact O-N 3.22Å; L300-T304 PolarHBondContact O-OG1 2.92Å; L301-T304 PolarHBondContact O-N 3.36Å; L301-T304 PolarHBondContact O-OG1 3.11Å; T304-H306 PolarHBondContact O-N 3.19Å
305N34.9Very low34.1Very low132 Ų132110.1 Ų110.171%0.70664%0.64SS**THydrogen-bonded Turntrans-86.6-0.8-174.4-70.6-11.4000114.5L301L301-N305 VanDerWaalsContact O-CG 3.31Å; L301-N305 PolarHBondContact O-N 2.76Å; L301-N305 PolarHBondContact O-ND2 2.84Å
306H37.6Very low33.2Very low175 Ų175111.2 Ų111.281%0.8165%0.654SS**THydrogen-bonded Turntrans-107.39.4-177-94.3-63.3000115.6T304T304-H306 PolarHBondContact O-N 3.19Å
307S32.4Very low32.5Very low84 Ų84112.3 Ų112.359%0.58767%0.668SS**SBendtrans-138.486.3176.662.30000113.1
308Q31.9Very low31.8Very low191 Ų191116 Ų11689%0.89369%0.69SS**  170.198.5127.5-92.4168.5-000110.5
309G28.2Very low31Very low80 Ų80117.5 Ų117.583%0.82570%0.702SS**  trans-71.6134.3160.100000109.7K311G309-K311 PolarHBondContact O-N 3.46Å
310V29.5Very low30.3Very low139 Ų139117.1 Ų117.184%0.84271%0.712SS**  trans-66.4126.4-176.3175.70000111.6
311K27.3Very low29.6Very low207 Ų207116.1 Ų116.190%0.972%0.723SS**  trans-133117.6140.8-77.5-167.6174.9-176.40107.2G309G309-K311 PolarHBondContact O-N 3.46Å
312G24.2Very low28.9Very low65 Ų65119.6 Ų119.667%0.6775%0.747SS**  trans-89.3175.7-177.800000112.7
313V26.4Very low28.2Very low145 Ų145122.9 Ų122.988%0.87976%0.762SS**  trans-161.7153.5138.7138.90000107.7
314T25.5Very low28.1Very low137 Ų137122.1 Ų122.184%0.8477%0.77SS**  trans-71.2152.8179.948.70000113.6
315G25.2Very low28.3Very low75 Ų75122.5 Ų122.577%0.77377%0.774SS**  trans135.1100.5151.900000117.6
316A23.9Very low27.7Very low94 Ų94124 Ų12478%0.77778%0.781SS**  trans31128131.300000122.7
317V24.2Very low27Very low131 Ų131119.6 Ų119.679%0.79477%0.77SS**  81.1107.5121.2170.90000120.5
318V24.8Very low26.5Very low117 Ų117123.7 Ų123.771%0.70978%0.779SS**  trans83.8125131169.40000122.6
319N23.4Very low26.1Very low140 Ų140121.8 Ų121.875%0.74978%0.776SS**  trans61.8134.5148.2-74.82000125.5
320S23.8Very low27Very low115 Ų115122.6 Ų122.680%0.80477%0.766SS**  trans62.5119.4134.366.80000120.7
321G22.8Very low26.6Very low64 Ų64124.2 Ų124.266%0.6677%0.769SS**  122.1121.1102.400000117.2
322T25.1Very low26.5Very low144 Ų144118.1 Ų118.188%0.88377%0.765SS**  trans79.2157.4152.6-11.50000117.8
323T26Very low26.4Very low127 Ų127125.4 Ų125.478%0.77977%0.772SS**  trans-106.9-156.5-158.250.40000111.1
324P37.3Very low26.3Very low113 Ų113126.2 Ų126.273%0.73477%0.768SS**  -111.3-140.7-117.136.4-12.6000109.3
325P40.6Very low26.2Very low97 Ų97123 Ų12363%0.6376%0.762SS**  cis-140.5-164.2-1235.6-11.9000114.7
326L22.2Very low26.2Very low165 Ų165129.6 Ų129.686%0.86477%0.769SS**  trans70.4154.2158.7-61.7171.1000116.8
327S22Very low26.3Very low82 Ų82130 Ų13057%0.57377%0.772SS**  cis-152173.6-4.750.60000112
328E22.6Very low26.2Very low169 Ų169127.8 Ų127.879%0.7978%0.777SS**  trans64.4102.9144.4-76.1145.7-14800123.9
329N24Very low26.1Very low152 Ų152126.8 Ų126.881%0.81377%0.774SS**  23.8161.1101.9-84.4-5.8000120.9
330P45.3Very low26.1Very low96 Ų96132.1 Ų132.162%0.62378%0.784SS**  cis-143.2-159.1-45.539.2-17.8000112.4
331L22.8Very low26.1Very low174 Ų174132.5 Ų132.591%0.91178%0.777SS**  trans73144171.8-52.2144.9000114.6
332G23.4Very low26.1Very low78 Ų78135.9 Ų135.980%0.80478%0.779SS**  cis-174.9-160.9-000000108.4
333R24.1Very low26.3Very low218 Ų218135.2 Ų135.282%0.82378%0.777SS**  cis-169.9132.1-13.9-174.4-170.1-174.3-147.92110.1
334M23.3Very low26.3Very low163 Ų163135 Ų13580%0.80378%0.775SS**  trans73.2148.9159.2-85.1153.554.100122.9
335G23.2Very low25.6Very low68 Ų68133.2 Ų133.270%0.70178%0.777SS**  trans132.888.2168.100000112.8
336K26Very low24.9Very low214 Ų214138.2 Ų138.293%0.9379%0.789SS**  50134.285.3-74.5-168.1178.6-176.40113.8
337A24.4Very low25Very low102 Ų102139.6 Ų139.684%0.84379%0.788SS**  cis-163.3177.40.100000110.4
338G24Very low25Very low86 Ų86144.4 Ų144.489%0.88780%0.802SS**  trans145.2101.2163.100000115.1
339C22.5Very low24.9Very low96 Ų96141.8 Ų141.865%0.64980%0.802SS**  trans-126.5141.1172.91770000109.2
340W22.5Very low25Very low252 Ų252141.7 Ų141.796%0.95581%0.807SS**  trans-143.3153.6157.6-80.3107.3000110.9
341N23.4Very low24.2Very low123 Ų123141.6 Ų141.666%0.65881%0.814SS**  trans-101.4148.9-155-77.1-46.1000115
342L22.8Very low24.4Very low135 Ų135139.5 Ų139.571%0.70781%0.811SS**  24145.3126.1-87.3140.7000120.3V344L342-V344 HydrophobicContact CD2-CG2 3.68Å
343P30.5Very low24.5Very low129 Ų129140.7 Ų140.784%0.83881%0.807SS**  -143.6170.47935.6-16.7000118.2
344V25.7Very low24.6Very low122 Ų122136.5 Ų136.574%0.73981%0.808SS**  trans-89.2148.1-177.1170.90000112.3L342L342-V344 HydrophobicContact CD2-CG2 3.68Å
345G23Very low24.9Very low76 Ų76137.7 Ų137.778%0.78481%0.812SS**  trans-137.7130.7162.800000112.3
346K24.3Very low25.1Very low202 Ų202139.4 Ų139.488%0.87882%0.819SS**  trans-87.5148.7176.8-65.9173.6175.8175.30111.1
347K24.3Very low25.2Very low194 Ų194132.7 Ų132.784%0.84380%0.803SS**  trans-163.8128.3136.9-113.3169.3-176-177.40115.5
348E22.6Very low25.4Very low183 Ų183135.8 Ų135.886%0.85580%0.8SS**  trans7.7153.8153.7-70.5152.3162.900124.2
349S21.5Very low25.8Very low115 Ų115136.2 Ų136.280%0.80478%0.782SS**  trans-105.7141.2-173.454.10000114
350V25.4Very low26.2Very low150 Ų150136.4 Ų136.491%0.90978%0.78SS**  trans-132.8137.7163.2179.70000109
351A28.5Very low26.7Very low94 Ų94131.8 Ų131.878%0.77777%0.769SS**  trans-108.9144.3-177.100000112.4
352P26.8Very low26.9Very low129 Ų129131.4 Ų131.484%0.83877%0.773SS**  trans-116.8164.6163.222.2-3.1000114.5
353S24.7Very low27.1Very low104 Ų104133.4 Ų133.473%0.72778%0.776SS**  trans-80.6166.8-17054.10000115.1
354P27.8Very low27.2Very low130 Ų130135.3 Ų135.384%0.84477%0.774SS**  trans-83.8122.8-172.832.2-33.6000113.3
355Q28.3Very low27.2Very low188 Ų188135.2 Ų135.288%0.87978%0.776SS**  trans-112.4163.5162.6-74.4-173.7-9.300111.2
356A28.8Very low27.5Very low104 Ų104140 Ų14086%0.8677%0.77SS**  trans-60.4134.6-165.800000113.7E358A356-E358 PolarHBondContact O-N 2.91Å
357A27.3Very low27.5Very low72 Ų72135.2 Ų135.260%0.59576%0.761SS**  trans-82.876.4-17600000112.8
358E28.9Very low27.8Very low168 Ų168131.8 Ų131.879%0.78576%0.762SS**  trans-75127.2155.9-172.7166.3-157.100108.2A356A356-E358 PolarHBondContact O-N 2.91Å
359L31.4Very low28.3Very low95 Ų95128.5 Ų128.550%0.49775%0.754SS.*  trans-113.6116.3-179.1-141.9104.4000110.7W391L359-W391 HydrophobicContact CB-CH2 3.57Å; L359-W391 HydrophobicContact CB-CZ3 3.98Å; L359-W391 HydrophobicContact CD2-CH2 4.46Å
360V32.1Very low29.1Very low99 Ų99135.1 Ų135.160%0.676%0.761SS**PPolyproline II helixtrans-60.3144.1159.3177.90000108.8
361Q32.1Very low30.1Very low156 Ų156133.6 Ų133.673%0.72975%0.745SS**PPolyproline II helixtrans-57150.4178.2-70.2169.9-39.400111.9
362P28.6Very low31Very low115 Ų115136.1 Ų136.175%0.74774%0.74SS**PPolyproline II helixtrans-59.6148174.5-21.233.3000112.5E364P362-E364 PolarHBondContact O-N 3.38Å
363K26.6Very low32.7Very low176 Ų176134 Ų13477%0.76572%0.72SS**PPolyproline II helixtrans-58.2125.8176-77.5-177.1168.4-176.10111.2E52E52-K363 IonicContact OE1-NZ 2.98Å; E52-K363 PolarHBondContact OE1-NZ 3.22Å
364E32.1Very low35.5Very low169 Ų169130.5 Ų130.579%0.7970%0.696SS**PPolyproline II helixtrans-73.6145.3168.4-66.5177.6168.400111.1P362P362-E364 PolarHBondContact O-N 3.38Å
365P25.5Very low38.3Very low121 Ų121124.3 Ų124.379%0.78666%0.655SS**PPolyproline II helixtrans-73.1128.3169.930.5-32.2000110.2C367P365-C367 PolarHBondContact O-N 2.92Å
366R29.8Very low41Very low175 Ų175115.8 Ų115.866%0.6662%0.617SS**PPolyproline II helixtrans-59.8119.9-179.1-61.9176.8-178.3172.31.8111I50 E51I50-R366 PolarHBondContact O-NH2 3.1Å; E51-R366 IonicContact OE1-CZ 2.73Å; E51-R366 IonicContact OE1-NH1 2.7Å; E51-R366 PolarHBondContact OE1-NH1 2.9Å; E51-R366 IonicContact OE1-NH2 3.98Å; E51-R366 PolarHBondContact OE1-NH2 2.7Å; E51-R366 IonicContact OE2-NH2 3.1Å
367C24.4Very low43.6Very low102 Ų102114.2 Ų114.269%0.68959%0.591SS**  trans-132.7117.6166.7-161.30000111.8P365 T369P365-C367 PolarHBondContact O-N 2.92Å; C367-T369 PolarHBondContact O-N 2.93Å; C367-T369 VanDerWaalsContact O-N 3.08Å
368S30.1Very low46.4Very low123 Ų123111.7 Ų111.786%0.8657%0.567SS**  trans-83.972-178.352.50000112.2
369T32.6Very low49.4Very low113 Ų113103.8 Ų103.869%0.69353%0.53SS*.SBendtrans-146.4147.315134.20000109.6C367 Q371C367-T369 PolarHBondContact O-N 2.93Å; C367-T369 VanDerWaalsContact O-N 3.08Å; T369-Q371 VanDerWaalsContact C-N 3.35Å; T369-Q371 PolarHBondContact O-N 3.18Å
370R39.5Very low51.9Low254 Ų25499.5 Ų99.596%0.95851%0.508SS*.  trans-67.382.8-170-161.6-176.9-156.7171.45.4111.5Q372R370-Q372 PolarHBondContact O-N 3.08Å
371Q45.3Very low54.4Low119 Ų11996.9 Ų96.956%0.55649%0.492SS*.  trans-59.1120.8176.5-79.4-179.5-3700109.9E298 T369 M373E298-Q371 PolarHBondContact OE1-NE2 2.92Å; T369-Q371 VanDerWaalsContact C-N 3.35Å; T369-Q371 PolarHBondContact O-N 3.18Å; Q371-M373 PolarHBondContact O-N 3.06Å
372Q48.7Very low57.1Low146 Ų14690 Ų9068%0.68246%0.46SS*.  trans-77.2101174.1-174.8174.56.700107.6R370 S374R370-Q372 PolarHBondContact O-N 3.08Å; Q372-S374 PolarHBondContact O-N 2.86Å
373M62.3Low60.1Low86 Ų8684.5 Ų84.542%0.42442%0.424SS..  trans-55.1126.2178.2-49-91.767.100108.9Q371 S402 L406Q371-M373 PolarHBondContact O-N 3.06Å; M373-S402 WeakPolarHBondContact CB-OG 3.31Å; M373-L406 WeakPolarHBondContact O-CD1 3.37Å
374S82.3Confident62.9Low30 Ų3082 Ų8221%0.2141%0.41CS..  trans-105134.9-178155.70000110Q372 C376 H377 E378 E432Q372-S374 PolarHBondContact O-N 2.86Å; S374-C376 PolarHBondContact O-N 3.26Å; S374-C376 WeakPolarHBondContact OG-CB 3.29Å; S374-C376 PolarHBondContact OG-N 3.01Å; S374-C376 VanDerWaalsContact OG-N 3.13Å; S374-H377 PolarHBondContact O-N 3.48Å; S374-H377 VanDerWaalsContact O-N 3.12Å; S374-H377 PolarHBondContact OG-N 3.37Å; S374-E378 PolarHBondContact O-N 3.09Å; S374-E432 PolarHBondContact OG-OE2 3.2Å
375L87.8Confident65.4Low0 Ų075.9 Ų75.90%038%0.384CS..Hα-helixtrans-60.1-34.7173.5-71.8165000111.4H377 E378 L379 M399 V403 L406 I407 L425 K428 V429 E432L375-H377 VanDerWaalsContact C-N 3.33Å; L375-H377 PolarHBondContact O-N 2.92Å; L375-E378 PolarHBondContact O-N 3.47Å; L375-L379 WeakPolarHBondContact O-CB 3.47Å; L375-L379 VanDerWaalsContact O-CG 3.29Å; L375-L379 WeakPolarHBondContact O-CG 3.49Å; L375-L379 PolarHBondContact O-N 2.97Å; L375-M399 HydrophobicContact CD2-CE 4.03Å; L375-M399 HydrophobicContact CD2-SD 3.97Å; L375-V403 HydrophobicContact CD2-CG2 3.81Å; L375-L406 HydrophobicContact CD1-CB 4.24Å; L375-L406 HydrophobicContact CD1-CD1 4.03Å; L375-L406 HydrophobicContact CG-CD1 3.7Å; L375-I407 HydrophobicContact CD1-CD1 4.19Å; L375-I407 HydrophobicContact CD1-CG1 4.35Å; L375-L425 HydrophobicContact CD1-CD1 4.26Å; L375-L425 HydrophobicContact CD2-CD1 4.09Å; L375-K428 HydrophobicContact CD1-CB 3.65Å; L375-V429 HydrophobicContact CB-CG2 4.08Å; L375-E432 PolarHBondContact N-OE1 3.28Å; L375-E432 PolarHBondContact N-OE2 3.31Å; L375-E432 VanDerWaalsContact N-OE2 3.12Å
376C85.5Confident68.5Low9 Ų970.1 Ų70.16%0.06135%0.347CS..Hα-helixtrans-63.9-38176-59.10000112.5F289 S374 H380 E432F289-C376 HydrophobicContact CE1-CB 4.16Å; S374-C376 PolarHBondContact O-N 3.26Å; S374-C376 WeakPolarHBondContact OG-CB 3.29Å; S374-C376 PolarHBondContact OG-N 3.01Å; S374-C376 VanDerWaalsContact OG-N 3.13Å; C376-H380 WeakPolarHBondContact O-CB 3.06Å; C376-H380 PolarHBondContact O-N 3.36Å; C376-H380 VanDerWaalsContact O-N 3.1Å; C376-E432 PolarHBondContact N-OE2 2.9Å; C376-E432 VanDerWaalsContact N-OE2 3.07Å; C376-E432 PolarHBondContact SG-OE2 2.99Å
377H81.9Confident71.4Confident70 Ų7062.8 Ų62.832%0.32432%0.319SS..Hα-helixtrans-68.7-46.1175-177.587.9000111.9L294 S374 L375 L379 H380 T381L294-H377 HydrophobicContact CD1-CB 4.08Å; S374-H377 PolarHBondContact O-N 3.48Å; S374-H377 VanDerWaalsContact O-N 3.12Å; S374-H377 PolarHBondContact OG-N 3.37Å; L375-H377 VanDerWaalsContact C-N 3.33Å; L375-H377 PolarHBondContact O-N 2.92Å; H377-L379 PolarHBondContact O-N 3.19Å; H377-H380 WeakPolarHBondContact O-CB 3.44Å; H377-H380 PolarHBondContact O-N 2.96Å; H377-T381 PolarHBondContact NE2-OG1 3.2Å; H377-T381 WeakPolarHBondContact O-CB 3.24Å; H377-T381 PolarHBondContact O-N 2.76Å; H377-T381 PolarHBondContact O-OG1 3.36Å
378E87.8Confident74.2Confident20 Ų2060 Ų609%0.09330%0.301CS..Hα-helixtrans-62.2-41.6178.1-70-56.914100112.4S374 L375 T381 L382 A398 M399 S402S374-E378 PolarHBondContact O-N 3.09Å; L375-E378 PolarHBondContact O-N 3.47Å; E378-T381 PolarHBondContact O-N 3.24Å; E378-L382 WeakPolarHBondContact O-CB 3.41Å; E378-L382 PolarHBondContact O-N 2.85Å; E378-A398 WeakPolarHBondContact OE2-CB 3.4Å; E378-M399 HydrophobicContact CB-CB 4.26Å; E378-M399 HydrophobicContact CB-SD 3.48Å; E378-M399 WeakPolarHBondContact CB-SD 3.4Å; E378-M399 HydrophobicContact CG-SD 4.39Å; E378-M399 PolarHBondContact OE2-N 3.17Å; E378-S402 WeakPolarHBondContact CG-OG 3.2Å
379L90.5Very high76.5Confident1 Ų154.4 Ų54.41%0.00526%0.262CS..Hα-helixtrans-61.5-46.6173.8-76.4169000111.9L276 F289 L375 H377 F383 M399 V429L276-L379 HydrophobicContact CD2-CD2 3.82Å; F289-L379 HydrophobicContact CD1-CB 3.89Å; F289-L379 HydrophobicContact CE1-CB 4.01Å; F289-L379 HydrophobicContact CE1-CD1 4.11Å; F289-L379 HydrophobicContact CG-CB 4.44Å; F289-L379 HydrophobicContact CZ-CD1 4.06Å; L375-L379 WeakPolarHBondContact O-CB 3.47Å; L375-L379 VanDerWaalsContact O-CG 3.29Å; L375-L379 WeakPolarHBondContact O-CG 3.49Å; L375-L379 PolarHBondContact O-N 2.97Å; H377-L379 PolarHBondContact O-N 3.19Å; L379-F383 HydrophobicContact CD2-CE1 4.05Å; L379-F383 HydrophobicContact CD2-CZ 3.84Å; L379-F383 VanDerWaalsContact O-CB 3.31Å; L379-F383 WeakPolarHBondContact O-CB 3.29Å; L379-F383 WeakPolarHBondContact O-CG 3.39Å; L379-F383 PolarHBondContact O-N 2.94Å; L379-M399 HydrophobicContact CD1-CE 4.44Å; L379-M399 HydrophobicContact CD2-CE 3.61Å; L379-M399 HydrophobicContact CG-CE 3.71Å; L379-V429 HydrophobicContact CD1-CG2 3.56Å
380H84.8Confident78.6Confident6 Ų658.1 Ų58.13%0.02826%0.263CS..Hα-helixtrans-56.5-52.3175.2166.689.3000111.7F289 L292 L294 C376 H377 R384F289-H380 PolarHBondContact O-ND1 3.45Å; L292-H380 PolarHBondContact O-CE1 2.69Å; L292-H380 PolarHBondContact O-ND1 2.92Å; L292-H380 VanDerWaalsContact O-ND1 3.12Å; L294-H380 HydrophobicContact CD1-CB 3.83Å; C376-H380 WeakPolarHBondContact O-CB 3.06Å; C376-H380 PolarHBondContact O-N 3.36Å; C376-H380 VanDerWaalsContact O-N 3.1Å; H377-H380 WeakPolarHBondContact O-CB 3.44Å; H377-H380 PolarHBondContact O-N 2.96Å; H380-R384 WeakPolarHBondContact CE1-CD 3.15Å; H380-R384 WeakPolarHBondContact NE2-CD 3.43Å; H380-R384 PolarHBondContact NE2-NH1 2.79Å; H380-R384 WeakPolarHBondContact O-CB 3.21Å; H380-R384 WeakPolarHBondContact O-CG 3.47Å; H380-R384 PolarHBondContact O-N 3.03Å
381T83.4Confident80.5Confident44 Ų4449.4 Ų49.427%0.2723%0.231SC..Hα-helixtrans-64.4-46.9-177.7-68.20000111H377 E378 F383 R384 V385H377-T381 PolarHBondContact NE2-OG1 3.2Å; H377-T381 WeakPolarHBondContact O-CB 3.24Å; H377-T381 PolarHBondContact O-N 2.76Å; H377-T381 PolarHBondContact O-OG1 3.36Å; E378-T381 PolarHBondContact O-N 3.24Å; T381-F383 PolarHBondContact O-N 3.5Å; T381-R384 PolarHBondContact O-N 3.07Å; T381-V385 VanDerWaalsContact O-CG2 3.32Å; T381-V385 WeakPolarHBondContact O-CG2 3.47Å; T381-V385 PolarHBondContact O-N 3.1Å; T381-V385 VanDerWaalsContact O-N 3.09Å
382L88.7Confident82.2Confident11 Ų1147.3 Ų47.36%0.05823%0.226CC..Hα-helixtrans-61.4-46.9178.5-178.260.2000112L263 L276 E378 R384 V385 M386 V394 P396L263-L382 HydrophobicContact CD2-CD1 4.03Å; L276-L382 HydrophobicContact CD1-CD2 3.86Å; L276-L382 HydrophobicContact CD2-CD2 4.49Å; E378-L382 WeakPolarHBondContact O-CB 3.41Å; E378-L382 PolarHBondContact O-N 2.85Å; L382-R384 PolarHBondContact O-N 2.95Å; L382-V385 PolarHBondContact O-N 3.15Å; L382-M386 HydrophobicContact CD1-CG 4.23Å; L382-M386 HydrophobicContact CD1-SD 4.06Å; L382-M386 HydrophobicContact CD2-SD 4.36Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 HydrophobicContact CG-SD 3.8Å; L382-M386 WeakPolarHBondContact O-CG 3.37Å; L382-M386 PolarHBondContact O-N 3.36Å; L382-V394 HydrophobicContact CD1-CG1 3.79Å; L382-P396 HydrophobicContact CD2-CB 4.34Å
383F91.8Very high84.1Confident0 Ų043.3 Ų43.30%021%0.209CC..Hα-helixtrans-65-39.9179.3-69.1-2.5000112.1L279 S280 F285 F289 L290 L379 T381 V385 M386 W387L279-F383 HydrophobicContact CB-CZ 4Å; S280-F383 VanDerWaalsContact CB-CE1 3.48Å; F285-F383 AromaticContact CD1-CE2 3.65Å; F285-F383 HydrophobicContact CD1-CE2 3.65Å; F285-F383 HydrophobicContact CD1-CZ 4.05Å; F285-F383 AromaticContact CE1-CE2 3.57Å; F285-F383 HydrophobicContact CE1-CE2 3.57Å; F285-F383 AromaticContact CE1-CZ 3.73Å; F285-F383 HydrophobicContact CE1-CZ 3.73Å; F289-F383 HydrophobicContact CB-CD2 3.89Å; F289-F383 HydrophobicContact CB-CE2 4.32Å; F289-F383 HydrophobicContact CD2-CE2 4.25Å; F289-F383 HydrophobicContact CG-CD2 4.44Å; F289-F383 HydrophobicContact CG-CE2 4.41Å; L290-F383 HydrophobicContact CD2-CB 4.1Å; L379-F383 HydrophobicContact CD2-CE1 4.05Å; L379-F383 HydrophobicContact CD2-CZ 3.84Å; L379-F383 VanDerWaalsContact O-CB 3.31Å; L379-F383 WeakPolarHBondContact O-CB 3.29Å; L379-F383 WeakPolarHBondContact O-CG 3.39Å; L379-F383 PolarHBondContact O-N 2.94Å; T381-F383 PolarHBondContact O-N 3.5Å; F383-V385 VanDerWaalsContact C-N 3.27Å; F383-V385 PolarHBondContact O-N 2.84Å; F383-M386 HydrophobicContact CD1-SD 4.47Å; F383-M386 PolarHBondContact O-N 2.97Å; F383-W387 WeakPolarHBondContact O-CB 3.36Å; F383-W387 PolarHBondContact O-N 2.92Å
384R86.2Confident85.2Confident124 Ų12440.2 Ų40.247%0.46820%0.195SC..Hα-helixtrans-58.6-38.9173.2-80.5177.466-172.83.3112.1L290 H380 T381 L382 S388L290-R384 HydrophobicContact CD2-CB 4.26Å; L290-R384 HydrophobicContact CD2-CG 3.51Å; H380-R384 WeakPolarHBondContact CE1-CD 3.15Å; H380-R384 WeakPolarHBondContact NE2-CD 3.43Å; H380-R384 PolarHBondContact NE2-NH1 2.79Å; H380-R384 WeakPolarHBondContact O-CB 3.21Å; H380-R384 WeakPolarHBondContact O-CG 3.47Å; H380-R384 PolarHBondContact O-N 3.03Å; T381-R384 PolarHBondContact O-N 3.07Å; L382-R384 PolarHBondContact O-N 2.95Å; R384-S388 VanDerWaalsContact O-CB 3.3Å; R384-S388 WeakPolarHBondContact O-CB 3.45Å; R384-S388 PolarHBondContact O-N 2.99Å
385V85.6Confident85.5Confident40 Ų4041.6 Ų41.624%0.24221%0.205CC..Hα-helixtrans-70.3-50.6177.5178.50000110.5T381 L382 F383 W387 S388 W391 V394T381-V385 VanDerWaalsContact O-CG2 3.32Å; T381-V385 WeakPolarHBondContact O-CG2 3.47Å; T381-V385 PolarHBondContact O-N 3.1Å; T381-V385 VanDerWaalsContact O-N 3.09Å; L382-V385 PolarHBondContact O-N 3.15Å; F383-V385 VanDerWaalsContact C-N 3.27Å; F383-V385 PolarHBondContact O-N 2.84Å; V385-W387 VanDerWaalsContact C-N 3.33Å; V385-W387 PolarHBondContact O-N 3.26Å; V385-S388 WeakPolarHBondContact O-CB 3.37Å; V385-S388 PolarHBondContact O-N 3.4Å; V385-S388 PolarHBondContact O-OG 2.81Å; V385-W391 HydrophobicContact CG1-CG 4.07Å; V385-V394 HydrophobicContact CG1-CG1 4.21Å; V385-V394 HydrophobicContact CG1-CG2 3.42Å; V385-V394 VanDerWaalsContact CG1-CG2 3.42Å
386M89.9Confident85.7Confident0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-60.4-36.7179.8-68.317269.700113.6G259 T261 L263 S280 L382 F383G259-M386 PolarHBondContact N-O 2.95Å; G259-M386 VanDerWaalsContact N-O 3.1Å; T261-M386 HydrophobicContact CG2-CG 4.22Å; T261-M386 PolarHBondContact OG1-O 3.48Å; L263-M386 HydrophobicContact CD2-CE 4.47Å; L263-M386 HydrophobicContact CD2-CG 4.45Å; L263-M386 HydrophobicContact CD2-SD 4.05Å; S280-M386 WeakPolarHBondContact OG-CE 3.17Å; L382-M386 HydrophobicContact CD1-CG 4.23Å; L382-M386 HydrophobicContact CD1-SD 4.06Å; L382-M386 HydrophobicContact CD2-SD 4.36Å; L382-M386 HydrophobicContact CG-CG 4.43Å; L382-M386 HydrophobicContact CG-SD 3.8Å; L382-M386 WeakPolarHBondContact O-CG 3.37Å; L382-M386 PolarHBondContact O-N 3.36Å; F383-M386 HydrophobicContact CD1-SD 4.47Å; F383-M386 PolarHBondContact O-N 2.97Å
387W90.4Very high85.7Confident20 Ų2044.4 Ų44.48%0.07622%0.216CC..THydrogen-bonded Turntrans-98.310.4-178.7-68.179.5000113.5P258 G259 S280 H281 R286 F383 V385 G389 E643P258-W387 HydrophobicContact CB-CE3 3.78Å; P258-W387 HydrophobicContact CB-CZ3 4.37Å; G259-W387 VanDerWaalsContact CA-CE2 3.42Å; S280-W387 WeakPolarHBondContact O-CZ2 3.49Å; S280-W387 PolarHBondContact O-NE1 3.41Å; H281-W387 AromaticContact CD2-CZ2 3.72Å; H281-W387 AromaticContact CE1-CZ2 4Å; H281-W387 AromaticContact CG-CZ2 3.86Å; H281-W387 AromaticContact NE2-CZ2 3.81Å; R286-W387 VanDerWaalsContact CD-CE2 3.44Å; R286-W387 VanDerWaalsContact CD-CG 3.42Å; F383-W387 WeakPolarHBondContact O-CB 3.36Å; F383-W387 PolarHBondContact O-N 2.92Å; V385-W387 VanDerWaalsContact C-N 3.33Å; V385-W387 PolarHBondContact O-N 3.26Å; W387-G389 VanDerWaalsContact C-N 3.32Å; W387-G389 PolarHBondContact O-N 3.44Å; W387-E643 VanDerWaalsContact CE3-OE1 3.29Å; W387-E643 HydrophobicContact CZ3-CB 4.19Å; W387-E643 HydrophobicContact CZ3-CG 4Å; W387-E643 WeakPolarHBondContact CZ3-OE1 3.47Å
388S83.1Confident85.8Confident45 Ų4543 Ų4332%0.31522%0.217SC..SBendtrans-74.5-17.2175.666.30000114.8R384 V385 R390R384-S388 VanDerWaalsContact O-CB 3.3Å; R384-S388 WeakPolarHBondContact O-CB 3.45Å; R384-S388 PolarHBondContact O-N 2.99Å; V385-S388 WeakPolarHBondContact O-CB 3.37Å; V385-S388 PolarHBondContact O-N 3.4Å; V385-S388 PolarHBondContact O-OG 2.81Å; S388-R390 PolarHBondContact O-N 3.33Å; S388-R390 WeakPolarHBondContact OG-CB 3.32Å; S388-R390 PolarHBondContact OG-N 3.01Å
389G78.9Confident85.9Confident4 Ų442.1 Ų42.14%0.04121%0.213CC..SBendtrans64.713.7-169.900000114.5H256 W387H256-G389 PolarHBondContact N-O 2.76Å; H256-G389 VanDerWaalsContact O-CA 3.22Å; H256-G389 WeakPolarHBondContact O-CA 3.42Å; W387-G389 VanDerWaalsContact C-N 3.32Å; W387-G389 PolarHBondContact O-N 3.44Å
390R76.3Confident85.9Confident191 Ų19142.1 Ų42.172%0.72121%0.213SC*.SBendtrans-100.6-16.1-177.4-62.6179.8-179.3-172.9-0.2114.4S388S388-R390 PolarHBondContact O-N 3.33Å; S388-R390 WeakPolarHBondContact OG-CB 3.32Å; S388-R390 PolarHBondContact OG-N 3.01Å
391W80.3Confident86Confident72 Ų7244.3 Ų44.327%0.27322%0.223SC..  trans-132.1138.2-170.2-50103.8000111T261 L359 V385 V394T261-W391 HydrophobicContact CG2-CB 4.36Å; T261-W391 PolarHBondContact OG1-O 3.05Å; L359-W391 HydrophobicContact CB-CH2 3.57Å; L359-W391 HydrophobicContact CB-CZ3 3.98Å; L359-W391 HydrophobicContact CD2-CH2 4.46Å; V385-W391 HydrophobicContact CG1-CG 4.07Å; W391-V394 HydrophobicContact CB-CG2 4.08Å
392T80.9Confident86.2Confident75 Ų7542.3 Ų42.346%0.4621%0.211SC..SBendtrans-95.3-20.5171.849.80000112.8H256 G262H256-T392 HydrophobicContact CB-CG2 4.5Å; H256-T392 WeakPolarHBondContact CE1-CG2 3.43Å; H256-T392 VanDerWaalsContact ND1-CG2 3.33Å; H256-T392 WeakPolarHBondContact ND1-CG2 3.45Å; G262-T392 PolarHBondContact N-O 2.93Å
393L88.8Confident86.4Confident62 Ų6241.8 Ų41.833%0.32521%0.208SC..EExtended strand (participates in β ladder)trans-146137.2-177.9178.259.7000109.7G262 R264 S653G262-L393 CarbonylContact O-C 3.55Å; G262-L393 WeakPolarHBondContact O-CA 3.41Å; R264-L393 HydrophobicContact CB-CD1 4.43Å; L393-S653 WeakPolarHBondContact CD1-OG 3.49Å
394V83.8Confident86.3Confident21 Ų2142.9 Ų42.913%0.12721%0.212CC..EExtended strand (participates in β ladder)trans-133.4145.7177.7174.60000109.7T261 G262 L263 R264 L382 V385 W391 P396T261-V394 HydrophobicContact CG2-CB 4.17Å; T261-V394 HydrophobicContact CG2-CG2 3.47Å; T261-V394 VanDerWaalsContact CG2-CG2 3.47Å; G262-V394 PolarHBondContact O-N 2.78Å; L263-V394 CarbonylContact C-O 3.52Å; L263-V394 WeakPolarHBondContact CA-O 3.48Å; L263-V394 HydrophobicContact CD2-CB 4.31Å; R264-V394 PolarHBondContact N-O 2.85Å; L382-V394 HydrophobicContact CD1-CG1 3.79Å; V385-V394 HydrophobicContact CG1-CG1 4.21Å; V385-V394 HydrophobicContact CG1-CG2 3.42Å; V385-V394 VanDerWaalsContact CG1-CG2 3.42Å; W391-V394 HydrophobicContact CB-CG2 4.08Å; V394-P396 WeakPolarHBondContact O-CD 3.5Å
395S89.8Confident86.3Confident59 Ų5941.8 Ų41.841%0.41322%0.215SC..  trans-95.2114.1171.3-173.10000110.1F397S395-F397 PolarHBondContact O-N 2.93Å
396P91.3Very high86.5Confident4 Ų442.2 Ų42.23%0.02622%0.216CC..  trans-81.239.2179.435.6-36.6000112.2L263 L266 M272 N273 L276 L382 V394 M399 L400L263-P396 HydrophobicContact CB-CG 4.33Å; L263-P396 HydrophobicContact CD2-CB 4.48Å; L266-P396 HydrophobicContact CD1-CG 4.34Å; M272-P396 HydrophobicContact CE-CB 4.1Å; M272-P396 HydrophobicContact CE-CG 3.86Å; N273-P396 WeakPolarHBondContact OD1-CG 3.38Å; L276-P396 HydrophobicContact CD1-CB 4.47Å; L382-P396 HydrophobicContact CD2-CB 4.34Å; V394-P396 WeakPolarHBondContact O-CD 3.5Å; P396-M399 HydrophobicContact CB-CB 4.44Å; P396-M399 PolarHBondContact O-N 2.78Å; P396-L400 WeakPolarHBondContact O-CB 3.44Å; P396-L400 PolarHBondContact O-N 3.03Å
397F86.3Confident86.5Confident63 Ų6342.3 Ų42.328%0.27622%0.217SC..Hα-helixtrans-67-43.7-172.2-178.5-94.8000113L266 S395 L400 H401L266-F397 HydrophobicContact CD1-CB 4.02Å; L266-F397 HydrophobicContact CD1-CD2 4.23Å; S395-F397 PolarHBondContact O-N 2.93Å; F397-L400 WeakPolarHBondContact O-CB 3.46Å; F397-L400 PolarHBondContact O-N 2.88Å; F397-H401 AromaticContact CD1-CD2 3.98Å; F397-H401 AromaticContact CE1-CD2 3.62Å; F397-H401 AromaticContact CE1-NE2 3.71Å; F397-H401 AromaticContact CE2-CD2 3.68Å; F397-H401 AromaticContact CE2-NE2 3.34Å; F397-H401 VanDerWaalsContact CE2-NE2 3.34Å; F397-H401 WeakPolarHBondContact CE2-NE2 3.5Å; F397-H401 AromaticContact CZ-CD2 3.47Å; F397-H401 VanDerWaalsContact CZ-CD2 3.47Å; F397-H401 WeakPolarHBondContact CZ-CD2 3.32Å; F397-H401 AromaticContact CZ-CE1 4Å; F397-H401 AromaticContact CZ-NE2 3.09Å; F397-H401 WeakPolarHBondContact CZ-NE2 3.19Å; F397-H401 PolarHBondContact O-CD2 2.94Å; F397-H401 PolarHBondContact O-N 2.72Å
398A83Confident86.4Confident41 Ų4146 Ų4634%0.33924%0.243SC..Hα-helixtrans-64.1-40.9176.600000111.9E378 H401 S402E378-A398 WeakPolarHBondContact OE2-CB 3.4Å; A398-H401 PolarHBondContact O-N 3.37Å; A398-S402 WeakPolarHBondContact O-CB 3.39Å; A398-S402 PolarHBondContact O-N 2.98Å; A398-S402 PolarHBondContact O-OG 3.22Å; A398-S402 VanDerWaalsContact O-OG 3.06Å
399M90.8Very high86.6Confident2 Ų246.9 Ų46.91%0.0125%0.253CS..Hα-helixtrans-60-45.4171.3-175.856.117000112.3L276 L375 E378 L379 P396 H401 S402 V403 L425L276-M399 HydrophobicContact CD1-CG 3.98Å; L276-M399 HydrophobicContact CD2-CE 3.68Å; L276-M399 HydrophobicContact CD2-CG 4.4Å; L375-M399 HydrophobicContact CD2-CE 4.03Å; L375-M399 HydrophobicContact CD2-SD 3.97Å; E378-M399 HydrophobicContact CB-CB 4.26Å; E378-M399 HydrophobicContact CB-SD 3.48Å; E378-M399 WeakPolarHBondContact CB-SD 3.4Å; E378-M399 HydrophobicContact CG-SD 4.39Å; E378-M399 PolarHBondContact OE2-N 3.17Å; L379-M399 HydrophobicContact CD1-CE 4.44Å; L379-M399 HydrophobicContact CD2-CE 3.61Å; L379-M399 HydrophobicContact CG-CE 3.71Å; P396-M399 HydrophobicContact CB-CB 4.44Å; P396-M399 PolarHBondContact O-N 2.78Å; M399-H401 PolarHBondContact O-N 3.09Å; M399-S402 PolarHBondContact O-N 3.39Å; M399-V403 HydrophobicContact CE-CG2 4.42Å; M399-V403 WeakPolarHBondContact O-CG2 3.34Å; M399-V403 PolarHBondContact O-N 3.31Å; M399-L425 HydrophobicContact CE-CD1 3.76Å; M399-L425 HydrophobicContact CE-CD2 4.37Å
400L90.4Very high87.3Confident1 Ų146.7 Ų46.71%0.00525%0.251CS..Hα-helixtrans-59.6-46.3176.7-179.665.6000112.2L266 T269 M272 P396 F397 S402 V403 W404L266-L400 HydrophobicContact CB-CD2 3.98Å; L266-L400 HydrophobicContact CD1-CD2 3.82Å; T269-L400 HydrophobicContact CG2-CD1 3.78Å; T269-L400 HydrophobicContact CG2-CD2 3.88Å; T269-L400 HydrophobicContact CG2-CG 4.47Å; M272-L400 HydrophobicContact CE-CB 4.07Å; M272-L400 HydrophobicContact CE-CD1 4.14Å; M272-L400 HydrophobicContact SD-CB 4.31Å; M272-L400 HydrophobicContact SD-CD1 3.92Å; P396-L400 WeakPolarHBondContact O-CB 3.44Å; P396-L400 PolarHBondContact O-N 3.03Å; F397-L400 WeakPolarHBondContact O-CB 3.46Å; F397-L400 PolarHBondContact O-N 2.88Å; L400-S402 VanDerWaalsContact C-N 3.35Å; L400-V403 WeakPolarHBondContact O-CB 3.36Å; L400-V403 PolarHBondContact O-N 3.4Å; L400-W404 HydrophobicContact CD1-CD2 4.45Å; L400-W404 HydrophobicContact CD1-CZ2 3.8Å; L400-W404 HydrophobicContact CD2-CH2 3.64Å; L400-W404 HydrophobicContact CD2-CZ2 3.61Å; L400-W404 HydrophobicContact CD2-CZ3 4.35Å; L400-W404 HydrophobicContact CG-CD2 4.18Å; L400-W404 HydrophobicContact CG-CE3 4.49Å; L400-W404 HydrophobicContact CG-CH2 3.96Å; L400-W404 HydrophobicContact CG-CZ2 3.66Å; L400-W404 HydrophobicContact CG-CZ3 4.38Å; L400-W404 PolarHBondContact O-N 3.18Å
401H86Confident87.8Confident52 Ų5245.1 Ų45.124%0.24125%0.245CC..Hα-helixtrans-66.1-36.7177.6-87-97.5000112.3F397 A398 M399 W404 N405F397-H401 AromaticContact CD1-CD2 3.98Å; F397-H401 AromaticContact CE1-CD2 3.62Å; F397-H401 AromaticContact CE1-NE2 3.71Å; F397-H401 AromaticContact CE2-CD2 3.68Å; F397-H401 AromaticContact CE2-NE2 3.34Å; F397-H401 VanDerWaalsContact CE2-NE2 3.34Å; F397-H401 WeakPolarHBondContact CE2-NE2 3.5Å; F397-H401 AromaticContact CZ-CD2 3.47Å; F397-H401 VanDerWaalsContact CZ-CD2 3.47Å; F397-H401 WeakPolarHBondContact CZ-CD2 3.32Å; F397-H401 AromaticContact CZ-CE1 4Å; F397-H401 AromaticContact CZ-NE2 3.09Å; F397-H401 WeakPolarHBondContact CZ-NE2 3.19Å; F397-H401 PolarHBondContact O-CD2 2.94Å; F397-H401 PolarHBondContact O-N 2.72Å; A398-H401 PolarHBondContact O-N 3.37Å; M399-H401 PolarHBondContact O-N 3.09Å; H401-W404 AromaticContact CD2-CZ3 3.99Å; H401-W404 AromaticContact CE1-CE3 3.99Å; H401-W404 AromaticContact CE1-CZ3 3.73Å; H401-W404 AromaticContact NE2-CZ3 3.52Å; H401-W404 PolarHBondContact O-N 3.36Å; H401-N405 WeakPolarHBondContact O-CB 3.43Å; H401-N405 VanDerWaalsContact O-CG 3.22Å; H401-N405 PolarHBondContact O-N 3.19Å; H401-N405 PolarHBondContact O-ND2 2.83Å
402S88.8Confident88.1Confident2 Ų242.8 Ų42.81%0.01424%0.244CC..Hα-helixtrans-64.7-42.8173.6-64.90000111.8M373 E378 A398 M399 L400 W404 N405 L406M373-S402 WeakPolarHBondContact CB-OG 3.31Å; E378-S402 WeakPolarHBondContact CG-OG 3.2Å; A398-S402 WeakPolarHBondContact O-CB 3.39Å; A398-S402 PolarHBondContact O-N 2.98Å; A398-S402 PolarHBondContact O-OG 3.22Å; A398-S402 VanDerWaalsContact O-OG 3.06Å; M399-S402 PolarHBondContact O-N 3.39Å; L400-S402 VanDerWaalsContact C-N 3.35Å; S402-W404 PolarHBondContact O-N 3.29Å; S402-N405 PolarHBondContact O-N 3.38Å; S402-L406 WeakPolarHBondContact O-CB 3.44Å; S402-L406 WeakPolarHBondContact O-CG 3.4Å; S402-L406 PolarHBondContact O-N 2.89Å
403V91.7Very high88.3Confident0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-57.3-48.6171.4165.70000111.2L375 M399 L400 N405 L406 I407 F410 F421L375-V403 HydrophobicContact CD2-CG2 3.81Å; M399-V403 HydrophobicContact CE-CG2 4.42Å; M399-V403 WeakPolarHBondContact O-CG2 3.34Å; M399-V403 PolarHBondContact O-N 3.31Å; L400-V403 WeakPolarHBondContact O-CB 3.36Å; L400-V403 PolarHBondContact O-N 3.4Å; V403-N405 VanDerWaalsContact C-N 3.29Å; V403-N405 PolarHBondContact O-N 2.73Å; V403-L406 PolarHBondContact O-N 2.96Å; V403-I407 HydrophobicContact CG1-CD1 4.46Å; V403-I407 CarbonylContact O-C 3.47Å; V403-I407 WeakPolarHBondContact O-CA 3.43Å; V403-I407 WeakPolarHBondContact O-CB 3.45Å; V403-I407 PolarHBondContact O-N 2.96Å; V403-F410 HydrophobicContact CG1-CB 3.95Å; V403-F421 HydrophobicContact CG1-CE2 3.79Å; V403-F421 HydrophobicContact CG2-CE2 3.91Å; V403-F421 HydrophobicContact CG2-CZ 4.12Å
404W89.9Confident88.1Confident23 Ų2345.9 Ų45.99%0.08725%0.252CS..Hα-helixtrans-64.3-30.2179.3-71.3-12.4000114.7L400 H401 S402 F410 R411 G412 Y413L400-W404 HydrophobicContact CD1-CD2 4.45Å; L400-W404 HydrophobicContact CD1-CZ2 3.8Å; L400-W404 HydrophobicContact CD2-CH2 3.64Å; L400-W404 HydrophobicContact CD2-CZ2 3.61Å; L400-W404 HydrophobicContact CD2-CZ3 4.35Å; L400-W404 HydrophobicContact CG-CD2 4.18Å; L400-W404 HydrophobicContact CG-CE3 4.49Å; L400-W404 HydrophobicContact CG-CH2 3.96Å; L400-W404 HydrophobicContact CG-CZ2 3.66Å; L400-W404 HydrophobicContact CG-CZ3 4.38Å; L400-W404 PolarHBondContact O-N 3.18Å; H401-W404 AromaticContact CD2-CZ3 3.99Å; H401-W404 AromaticContact CE1-CE3 3.99Å; H401-W404 AromaticContact CE1-CZ3 3.73Å; H401-W404 AromaticContact NE2-CZ3 3.52Å; H401-W404 PolarHBondContact O-N 3.36Å; S402-W404 PolarHBondContact O-N 3.29Å; W404-F410 PolarHBondContact NE1-O 3.37Å; W404-R411 HydrophobicContact CB-CG 4.25Å; W404-R411 VanDerWaalsContact CD1-CA 3.48Å; W404-R411 HydrophobicContact CG-CG 4.41Å; W404-G412 VanDerWaalsContact CE2-O 3.32Å; W404-G412 VanDerWaalsContact CZ2-O 3.27Å; W404-G412 WeakPolarHBondContact CZ2-O 3.35Å; W404-G412 VanDerWaalsContact NE1-N 3.15Å; W404-G412 PolarHBondContact NE1-O 3.14Å; W404-Y413 HydrophobicContact CH2-CD1 4.17Å; W404-Y413 HydrophobicContact CH2-CD2 4.38Å; W404-Y413 AromaticContact CH2-CE1 3.6Å; W404-Y413 HydrophobicContact CH2-CE1 3.6Å; W404-Y413 AromaticContact CH2-CE2 3.82Å; W404-Y413 HydrophobicContact CH2-CE2 3.82Å; W404-Y413 AromaticContact CH2-CZ 3.42Å; W404-Y413 VanDerWaalsContact CH2-CZ 3.42Å; W404-Y413 HydrophobicContact CZ2-CD1 4.08Å; W404-Y413 AromaticContact CZ2-CE1 3.95Å; W404-Y413 HydrophobicContact CZ2-CE1 3.95Å; W404-Y413 HydrophobicContact CZ2-CE2 4.39Å; W404-Y413 HydrophobicContact CZ2-CG 4.38Å
405N87.4Confident88.3Confident100 Ų10048.6 Ų48.654%0.53526%0.263SS..Hα-helixtrans-81-34.2179.5-73.6-33.2000112.5H401 S402 V403H401-N405 WeakPolarHBondContact O-CB 3.43Å; H401-N405 VanDerWaalsContact O-CG 3.22Å; H401-N405 PolarHBondContact O-N 3.19Å; H401-N405 PolarHBondContact O-ND2 2.83Å; S402-N405 PolarHBondContact O-N 3.38Å; V403-N405 VanDerWaalsContact C-N 3.29Å; V403-N405 PolarHBondContact O-N 2.73Å
406L88Confident88.4Confident49 Ų4947.9 Ų47.926%0.25725%0.253SS..Hα-helixtrans-103.7-21.6-173.2-65.4170.3000114.2M373 L375 S402 V403 E432M373-L406 WeakPolarHBondContact O-CD1 3.37Å; L375-L406 HydrophobicContact CD1-CB 4.24Å; L375-L406 HydrophobicContact CD1-CD1 4.03Å; L375-L406 HydrophobicContact CG-CD1 3.7Å; S402-L406 WeakPolarHBondContact O-CB 3.44Å; S402-L406 WeakPolarHBondContact O-CG 3.4Å; S402-L406 PolarHBondContact O-N 2.89Å; V403-L406 PolarHBondContact O-N 2.96Å; L406-E432 WeakPolarHBondContact CD1-OE1 3.45Å
407I91.3Very high88.6Confident2 Ų248.8 Ų48.81%0.0126%0.258CS..  trans-126.278.1179-32.2-172.8000109.3L375 V403 A409 F410 E424 K428L375-I407 HydrophobicContact CD1-CD1 4.19Å; L375-I407 HydrophobicContact CD1-CG1 4.35Å; V403-I407 HydrophobicContact CG1-CD1 4.46Å; V403-I407 CarbonylContact O-C 3.47Å; V403-I407 WeakPolarHBondContact O-CA 3.43Å; V403-I407 WeakPolarHBondContact O-CB 3.45Å; V403-I407 PolarHBondContact O-N 2.96Å; I407-A409 PolarHBondContact O-N 3.23Å; I407-F410 HydrophobicContact CB-CD2 4.12Å; I407-F410 HydrophobicContact CG2-CD2 3.54Å; I407-F410 HydrophobicContact CG2-CE2 3.9Å; I407-F410 PolarHBondContact O-N 2.95Å; I407-E424 HydrophobicContact CG2-CB 3.91Å; I407-E424 HydrophobicContact CG2-CG 4.47Å; I407-K428 HydrophobicContact CD1-CB 4.39Å; I407-K428 HydrophobicContact CD1-CG 4.02Å; I407-K428 HydrophobicContact CG1-CG 3.85Å
408P87.1Confident89.1Confident98 Ų9845.8 Ų45.864%0.63625%0.245SC*.G310 helixtrans-58.5-22-171-27.436.4000115.5F410 R411P408-F410 VanDerWaalsContact C-N 3.25Å; P408-F410 PolarHBondContact O-N 3.27Å; P408-R411 VanDerWaalsContact O-CB 3.23Å; P408-R411 WeakPolarHBondContact O-CB 3.16Å; P408-R411 PolarHBondContact O-N 2.94Å
409A89.1Confident89.7Confident63 Ų6345.7 Ų45.752%0.52124%0.237SC..G310 helixtrans-60-32.5175.500000113.2I407 Q416I407-A409 PolarHBondContact O-N 3.23Å; A409-Q416 PolarHBondContact O-NE2 2.87Å
410F91.9Very high89.9Confident1 Ų150.1 Ų50.10%0.00426%0.258CS..G310 helixtrans-93.76.9179.8-62.8-88.4000112.9Y271 V403 W404 I407 P408 G412 Q416 E420 F421 E424Y271-F410 AromaticContact CE2-CD1 3.65Å; Y271-F410 HydrophobicContact CE2-CD1 3.65Å; Y271-F410 HydrophobicContact CE2-CE1 4.17Å; V403-F410 HydrophobicContact CG1-CB 3.95Å; W404-F410 PolarHBondContact NE1-O 3.37Å; I407-F410 HydrophobicContact CB-CD2 4.12Å; I407-F410 HydrophobicContact CG2-CD2 3.54Å; I407-F410 HydrophobicContact CG2-CE2 3.9Å; I407-F410 PolarHBondContact O-N 2.95Å; P408-F410 VanDerWaalsContact C-N 3.25Å; P408-F410 PolarHBondContact O-N 3.27Å; F410-G412 PolarHBondContact O-N 3.22Å; F410-Q416 HydrophobicContact CD1-CB 3.75Å; F410-Q416 HydrophobicContact CD1-CG 3.75Å; F410-Q416 HydrophobicContact CE1-CB 3.84Å; F410-Q416 HydrophobicContact CE1-CG 4.27Å; F410-E420 HydrophobicContact CZ-CB 4.26Å; F410-E420 HydrophobicContact CZ-CG 4.05Å; F410-F421 HydrophobicContact CD1-CB 4.15Å; F410-F421 AromaticContact CD1-CD2 3.89Å; F410-F421 HydrophobicContact CD1-CD2 3.89Å; F410-F421 HydrophobicContact CD1-CG 4.44Å; F410-F421 HydrophobicContact CD2-CD2 4.34Å; F410-F421 HydrophobicContact CE1-CB 3.52Å; F410-F421 HydrophobicContact CE1-CD2 4.03Å; F410-F421 HydrophobicContact CE1-CG 4.26Å; F410-F421 HydrophobicContact CE2-CD2 4.46Å; F410-F421 HydrophobicContact CG-CD2 4.09Å; F410-F421 HydrophobicContact CZ-CB 3.89Å; F410-F421 HydrophobicContact CZ-CD2 4.33Å; F410-E424 HydrophobicContact CE2-CB 3.83Å; F410-E424 HydrophobicContact CE2-CG 3.97Å; F410-E424 HydrophobicContact CZ-CB 4.5Å
411R88Confident90.2Very high157 Ų15750 Ų5059%0.59226%0.258SS*.  trans-65.8124.4-173.9-175.7172.3-177.71606.1112W404 P408W404-R411 HydrophobicContact CB-CG 4.25Å; W404-R411 VanDerWaalsContact CD1-CA 3.48Å; W404-R411 HydrophobicContact CG-CG 4.41Å; P408-R411 VanDerWaalsContact O-CB 3.23Å; P408-R411 WeakPolarHBondContact O-CB 3.16Å; P408-R411 PolarHBondContact O-N 2.94Å
412G85.4Confident90.7Very high23 Ų2347.7 Ų47.724%0.23725%0.247CC..SBendtrans101.1-165177.800000113W404 F410W404-G412 VanDerWaalsContact CE2-O 3.32Å; W404-G412 VanDerWaalsContact CZ2-O 3.27Å; W404-G412 WeakPolarHBondContact CZ2-O 3.35Å; W404-G412 VanDerWaalsContact NE1-N 3.15Å; W404-G412 PolarHBondContact NE1-O 3.14Å; F410-G412 PolarHBondContact O-N 3.22Å
413Y86.1Confident91Very high88 Ų8849.2 Ų49.235%0.34526%0.257SS..SBendtrans-106.820.6-170-61-83.9000113.3L266 N268 W404L266-Y413 VanDerWaalsContact O-CD1 3.25Å; L266-Y413 WeakPolarHBondContact O-CD1 3.47Å; L266-Y413 WeakPolarHBondContact O-CE1 3.44Å; N268-Y413 WeakPolarHBondContact CB-O 3.28Å; N268-Y413 PolarHBondContact ND2-O 2.99Å; W404-Y413 HydrophobicContact CH2-CD1 4.17Å; W404-Y413 HydrophobicContact CH2-CD2 4.38Å; W404-Y413 AromaticContact CH2-CE1 3.6Å; W404-Y413 HydrophobicContact CH2-CE1 3.6Å; W404-Y413 AromaticContact CH2-CE2 3.82Å; W404-Y413 HydrophobicContact CH2-CE2 3.82Å; W404-Y413 AromaticContact CH2-CZ 3.42Å; W404-Y413 VanDerWaalsContact CH2-CZ 3.42Å; W404-Y413 HydrophobicContact CZ2-CD1 4.08Å; W404-Y413 AromaticContact CZ2-CE1 3.95Å; W404-Y413 HydrophobicContact CZ2-CE1 3.95Å; W404-Y413 HydrophobicContact CZ2-CE2 4.39Å; W404-Y413 HydrophobicContact CZ2-CG 4.38Å
414D84.2Confident91.1Very high115 Ų11552.5 Ų52.562%0.61527%0.272SS*.  trans-70.9159.7175-68.9-43.7000111.3
415Q87.7Confident91.4Very high78 Ų7851.4 Ų51.436%0.36427%0.268SS..  trans-77.9134.6172.2-64.4-153.7-19.400109.8N268 S632 G633N268-Q415 HydrophobicContact CB-CG 4.04Å; N268-Q415 WeakPolarHBondContact OD1-CG 3.45Å; N268-Q415 PolarHBondContact OD1-NE2 3.04Å; Q415-S632 VanDerWaalsContact OE1-CA 3.25Å; Q415-G633 PolarHBondContact NE2-O 2.89Å; Q415-G633 VanDerWaalsContact NE2-O 3.14Å; Q415-G633 PolarHBondContact OE1-O 2.79Å
416Q92.8Very high91.6Very high44 Ų4446.8 Ų46.821%0.20624%0.244CC..  trans-131.2160.6-172.1-59.8-71.24.400110.5Y271 A409 F410 Y635Y271-Q416 HydrophobicContact CD1-CB 3.9Å; Y271-Q416 HydrophobicContact CD2-CB 4.04Å; Y271-Q416 HydrophobicContact CE1-CB 3.74Å; Y271-Q416 HydrophobicContact CE1-CG 3.95Å; Y271-Q416 HydrophobicContact CE2-CB 3.9Å; Y271-Q416 HydrophobicContact CE2-CG 4.46Å; Y271-Q416 HydrophobicContact CG-CB 4.06Å; A409-Q416 PolarHBondContact O-NE2 2.87Å; F410-Q416 HydrophobicContact CD1-CB 3.75Å; F410-Q416 HydrophobicContact CD1-CG 3.75Å; F410-Q416 HydrophobicContact CE1-CB 3.84Å; F410-Q416 HydrophobicContact CE1-CG 4.27Å; Q416-Y635 WeakPolarHBondContact O-CE2 3.5Å
417D94.3Very high91.7Very high23 Ų2346.8 Ų46.812%0.12324%0.244CC..  trans-81.3136.5178.6-161.6-74.4000112Q419 E420 F421 Y635 Y669D417-Q419 WeakPolarHBondContact OD1-CB 3.3Å; D417-Q419 PolarHBondContact OD1-N 3.06Å; D417-E420 HydrophobicContact CB-CB 3.98Å; D417-F421 WeakPolarHBondContact O-CB 3.39Å; D417-F421 PolarHBondContact O-N 2.86Å; D417-Y635 PolarHBondContact OD2-OH 2.9Å; D417-Y669 PolarHBondContact OD1-OH 3.09Å; D417-Y669 PolarHBondContact OD2-OH 2.98Å; D417-Y669 VanDerWaalsContact OD2-OH 3.07Å
418A96.3Very high91.6Very high0 Ų048.8 Ų48.80%025%0.252CS..Hα-helixtrans-73.8-29.1-17900000113.3I275 L422 V623 Y635 Y669I275-A418 HydrophobicContact CD1-CB 4.32Å; I275-A418 HydrophobicContact CG1-CB 4.16Å; I275-A418 WeakPolarHBondContact CG1-O 3.5Å; A418-L422 VanDerWaalsContact O-CB 3.24Å; A418-L422 WeakPolarHBondContact O-CB 3.48Å; A418-L422 PolarHBondContact O-N 3.18Å; A418-L422 VanDerWaalsContact O-N 3.1Å; A418-V623 HydrophobicContact CB-CG1 4.38Å; A418-Y635 HydrophobicContact CB-CD1 3.65Å; A418-Y635 HydrophobicContact CB-CD2 4.48Å; A418-Y635 HydrophobicContact CB-CE1 3.53Å; A418-Y635 HydrophobicContact CB-CE2 4.38Å; A418-Y635 HydrophobicContact CB-CG 4.14Å; A418-Y669 HydrophobicContact CB-CE1 4.49Å
419Q95.7Very high91.7Very high39 Ų3944.1 Ų44.118%0.18222%0.222CC..Hα-helixtrans-74.3-43.9175.1-177-89.3-14.800110.5D417 F421 L422 C423 D488 H571 Y669 I670D417-Q419 WeakPolarHBondContact OD1-CB 3.3Å; D417-Q419 PolarHBondContact OD1-N 3.06Å; Q419-F421 PolarHBondContact O-N 3.05Å; Q419-L422 PolarHBondContact O-N 3.29Å; Q419-C423 PolarHBondContact O-N 2.77Å; Q419-C423 PolarHBondContact O-SG 2.93Å; Q419-C423 VanDerWaalsContact O-SG 3.42Å; Q419-D488 PolarHBondContact NE2-OD1 2.95Å; Q419-H571 HydrophobicContact CG-CB 4.09Å; Q419-Y669 HydrophobicContact CB-CE1 4.32Å; Q419-I670 HydrophobicContact CB-CD1 3.83Å; Q419-I670 HydrophobicContact CB-CG1 4.46Å
420E95.3Very high91.6Very high94 Ų9442.6 Ų42.644%0.43920%0.204SC..Hα-helixtrans-60.3-47.5175.9-164.2179.3172.900110.6F410 D417 L422 C423 E424F410-E420 HydrophobicContact CZ-CB 4.26Å; F410-E420 HydrophobicContact CZ-CG 4.05Å; D417-E420 HydrophobicContact CB-CB 3.98Å; E420-L422 PolarHBondContact O-N 3.35Å; E420-C423 PolarHBondContact O-N 3.13Å; E420-E424 PolarHBondContact O-N 3.39Å
421F97.2Very high91.3Very high0 Ų046.5 Ų46.50%022%0.222CC..Hα-helixtrans-58.9-44.4175.9176.6-111.4000113Y271 M272 I275 V403 F410 D417 Q419 C423 L425Y271-F421 HydrophobicContact CD2-CB 3.63Å; Y271-F421 HydrophobicContact CD2-CD1 4.03Å; Y271-F421 HydrophobicContact CD2-CD2 4.31Å; Y271-F421 AromaticContact CD2-CG 3.7Å; Y271-F421 HydrophobicContact CD2-CG 3.7Å; Y271-F421 HydrophobicContact CE2-CB 3.84Å; Y271-F421 HydrophobicContact CE2-CD1 4.19Å; Y271-F421 AromaticContact CE2-CD2 3.74Å; Y271-F421 HydrophobicContact CE2-CD2 3.74Å; Y271-F421 HydrophobicContact CE2-CE2 4.41Å; Y271-F421 AromaticContact CE2-CG 3.62Å; Y271-F421 HydrophobicContact CE2-CG 3.62Å; M272-F421 HydrophobicContact CB-CD1 4.35Å; M272-F421 HydrophobicContact CB-CE1 3.91Å; M272-F421 HydrophobicContact CB-CZ 4.11Å; M272-F421 HydrophobicContact CG-CE1 3.71Å; M272-F421 HydrophobicContact CG-CE2 4.45Å; M272-F421 HydrophobicContact CG-CZ 3.61Å; M272-F421 HydrophobicContact SD-CZ 4.47Å; I275-F421 HydrophobicContact CB-CD1 3.93Å; I275-F421 HydrophobicContact CB-CE1 4.07Å; I275-F421 HydrophobicContact CG1-CD1 4.08Å; I275-F421 HydrophobicContact CG2-CD1 3.97Å; I275-F421 HydrophobicContact CG2-CE1 3.93Å; V403-F421 HydrophobicContact CG1-CE2 3.79Å; V403-F421 HydrophobicContact CG2-CE2 3.91Å; V403-F421 HydrophobicContact CG2-CZ 4.12Å; F410-F421 HydrophobicContact CD1-CB 4.15Å; F410-F421 AromaticContact CD1-CD2 3.89Å; F410-F421 HydrophobicContact CD1-CD2 3.89Å; F410-F421 HydrophobicContact CD1-CG 4.44Å; F410-F421 HydrophobicContact CD2-CD2 4.34Å; F410-F421 HydrophobicContact CE1-CB 3.52Å; F410-F421 HydrophobicContact CE1-CD2 4.03Å; F410-F421 HydrophobicContact CE1-CG 4.26Å; F410-F421 HydrophobicContact CE2-CD2 4.46Å; F410-F421 HydrophobicContact CG-CD2 4.09Å; F410-F421 HydrophobicContact CZ-CB 3.89Å; F410-F421 HydrophobicContact CZ-CD2 4.33Å; D417-F421 WeakPolarHBondContact O-CB 3.39Å; D417-F421 PolarHBondContact O-N 2.86Å; Q419-F421 PolarHBondContact O-N 3.05Å; F421-C423 VanDerWaalsContact C-N 3.32Å; F421-C423 PolarHBondContact O-N 3.39Å; F421-L425 HydrophobicContact CE1-CD2 3.88Å; F421-L425 HydrophobicContact CE2-CB 4.29Å; F421-L425 HydrophobicContact CZ-CB 4.2Å; F421-L425 HydrophobicContact CZ-CD1 4.43Å; F421-L425 HydrophobicContact CZ-CD2 3.81Å; F421-L425 HydrophobicContact CZ-CG 4.36Å; F421-L425 WeakPolarHBondContact O-CB 3.48Å; F421-L425 PolarHBondContact O-N 2.98Å
422L96.6Very high91.1Very high3 Ų340.7 Ų40.72%0.01620%0.202CC..Hα-helixtrans-61.8-40.8179172.367.2000111.9I275 L279 A418 Q419 E420 L426 R569 F672I275-L422 HydrophobicContact CD1-CB 3.87Å; I275-L422 HydrophobicContact CD1-CD1 4.39Å; I275-L422 HydrophobicContact CD1-CD2 4.16Å; I275-L422 HydrophobicContact CD1-CG 4.35Å; I275-L422 HydrophobicContact CG1-CB 4.15Å; I275-L422 HydrophobicContact CG2-CB 4.09Å; I275-L422 HydrophobicContact CG2-CD1 3.68Å; I275-L422 HydrophobicContact CG2-CG 4.45Å; L279-L422 HydrophobicContact CD1-CD1 4.26Å; L279-L422 HydrophobicContact CD2-CD1 4.08Å; L279-L422 HydrophobicContact CG-CD1 4.33Å; A418-L422 VanDerWaalsContact O-CB 3.24Å; A418-L422 WeakPolarHBondContact O-CB 3.48Å; A418-L422 PolarHBondContact O-N 3.18Å; A418-L422 VanDerWaalsContact O-N 3.1Å; Q419-L422 PolarHBondContact O-N 3.29Å; E420-L422 PolarHBondContact O-N 3.35Å; L422-L426 HydrophobicContact CD1-CD1 3.81Å; L422-L426 HydrophobicContact CD1-CG 4.27Å; L422-L426 HydrophobicContact CG-CD1 4.27Å; L422-L426 WeakPolarHBondContact O-CB 3.27Å; L422-L426 VanDerWaalsContact O-CG 3.3Å; L422-L426 WeakPolarHBondContact O-CG 3.09Å; L422-L426 PolarHBondContact O-N 3.44Å; L422-R569 VanDerWaalsContact CG-NH1 3.26Å; L422-F672 HydrophobicContact CD2-CE1 4.01Å; L422-F672 HydrophobicContact CD2-CZ 3.61Å
423C94.2Very high90.8Very high34 Ų3439.9 Ų39.923%0.2319%0.192CC..Hα-helixtrans-70-48.3179.8-71.20000111.5Q419 E420 F421 L425 L426 D427Q419-C423 PolarHBondContact O-N 2.77Å; Q419-C423 PolarHBondContact O-SG 2.93Å; Q419-C423 VanDerWaalsContact O-SG 3.42Å; E420-C423 PolarHBondContact O-N 3.13Å; F421-C423 VanDerWaalsContact C-N 3.32Å; F421-C423 PolarHBondContact O-N 3.39Å; C423-L425 PolarHBondContact O-N 3.5Å; C423-L426 PolarHBondContact O-N 2.93Å; C423-D427 WeakPolarHBondContact O-CB 3.34Å; C423-D427 PolarHBondContact O-N 3.27Å
424E95Very high90.5Very high68 Ų6839.2 Ų39.232%0.31820%0.195SC..Hα-helixtrans-64.4-39.3177.3-75.2-71.7144.400112.6I407 F410 E420 D427 K428I407-E424 HydrophobicContact CG2-CB 3.91Å; I407-E424 HydrophobicContact CG2-CG 4.47Å; F410-E424 HydrophobicContact CE2-CB 3.83Å; F410-E424 HydrophobicContact CE2-CG 3.97Å; F410-E424 HydrophobicContact CZ-CB 4.5Å; E420-E424 PolarHBondContact O-N 3.39Å; E424-D427 PolarHBondContact O-N 3.02Å; E424-K428 WeakPolarHBondContact O-CG 3.42Å; E424-K428 PolarHBondContact O-N 3.07Å
425L94.9Very high89.8Confident1 Ų136.5 Ų36.51%0.00518%0.182CC..Hα-helixtrans-60.8-47.4175.3176.964.3000111.6I275 L276 L279 L375 M399 F421 C423 K428 V429I275-L425 HydrophobicContact CG2-CD2 4.41Å; L276-L425 HydrophobicContact CD2-CD2 4.28Å; L279-L425 HydrophobicContact CD1-CD2 3.8Å; L375-L425 HydrophobicContact CD1-CD1 4.26Å; L375-L425 HydrophobicContact CD2-CD1 4.09Å; M399-L425 HydrophobicContact CE-CD1 3.76Å; M399-L425 HydrophobicContact CE-CD2 4.37Å; F421-L425 HydrophobicContact CE1-CD2 3.88Å; F421-L425 HydrophobicContact CE2-CB 4.29Å; F421-L425 HydrophobicContact CZ-CB 4.2Å; F421-L425 HydrophobicContact CZ-CD1 4.43Å; F421-L425 HydrophobicContact CZ-CD2 3.81Å; F421-L425 HydrophobicContact CZ-CG 4.36Å; F421-L425 WeakPolarHBondContact O-CB 3.48Å; F421-L425 PolarHBondContact O-N 2.98Å; C423-L425 PolarHBondContact O-N 3.5Å; L425-K428 PolarHBondContact O-N 2.91Å; L425-V429 HydrophobicContact CD1-CG2 4.29Å; L425-V429 WeakPolarHBondContact O-CB 3.34Å; L425-V429 VanDerWaalsContact O-CG2 3.24Å; L425-V429 WeakPolarHBondContact O-CG2 3.29Å; L425-V429 PolarHBondContact O-N 2.63Å
426L92.3Very high88.3Confident3 Ų336.1 Ų36.12%0.01618%0.18CC..Hα-helixtrans-70.1-37.1-179.3-70.4174.3000112.3L279 F285 L422 C423 V429 Q430 F463 W487L279-L426 HydrophobicContact CD2-CD2 4.35Å; F285-L426 HydrophobicContact CE2-CD2 3.73Å; F285-L426 HydrophobicContact CZ-CD2 4.01Å; L422-L426 HydrophobicContact CD1-CD1 3.81Å; L422-L426 HydrophobicContact CD1-CG 4.27Å; L422-L426 HydrophobicContact CG-CD1 4.27Å; L422-L426 WeakPolarHBondContact O-CB 3.27Å; L422-L426 VanDerWaalsContact O-CG 3.3Å; L422-L426 WeakPolarHBondContact O-CG 3.09Å; L422-L426 PolarHBondContact O-N 3.44Å; C423-L426 PolarHBondContact O-N 2.93Å; L426-V429 PolarHBondContact O-N 3.39Å; L426-Q430 WeakPolarHBondContact O-CB 3.47Å; L426-Q430 PolarHBondContact O-N 2.81Å; L426-F463 HydrophobicContact CD1-CD2 3.91Å; L426-F463 HydrophobicContact CD1-CE2 3.93Å; L426-F463 HydrophobicContact CD1-CG 4.3Å; L426-F463 HydrophobicContact CD1-CZ 4.37Å; L426-F463 HydrophobicContact CD2-CD2 4.24Å; L426-F463 HydrophobicContact CD2-CE2 3.86Å; L426-W487 HydrophobicContact CB-CE3 4.48Å; L426-W487 HydrophobicContact CB-CH2 4.06Å; L426-W487 HydrophobicContact CB-CZ3 3.72Å; L426-W487 HydrophobicContact CD1-CE3 4.4Å; L426-W487 HydrophobicContact CD1-CZ3 4.12Å; L426-W487 HydrophobicContact CG-CZ3 4.48Å
427D90.3Very high86.2Confident48 Ų4835.3 Ų35.326%0.25718%0.184SC..Hα-helixtrans-59.5-46.5171.417561.5000111.3C423 E424 Q430 Q431C423-D427 WeakPolarHBondContact O-CB 3.34Å; C423-D427 PolarHBondContact O-N 3.27Å; E424-D427 PolarHBondContact O-N 3.02Å; D427-Q430 PolarHBondContact O-N 3.06Å; D427-Q431 WeakPolarHBondContact O-CB 3.43Å; D427-Q431 VanDerWaalsContact O-CG 3.28Å; D427-Q431 WeakPolarHBondContact O-CG 3.43Å; D427-Q431 PolarHBondContact O-N 3.17Å; D427-Q431 PolarHBondContact OD1-NE2 2.77Å; D427-Q431 PolarHBondContact OD2-NE2 2.78Å
428K90.3Very high84Confident45 Ų4538 Ų3820%0.19621%0.205CC..Hα-helixtrans-68.3-39.5178.2-65.8-31.8172.9-151.20113.5L375 I407 E424 L425 Q430 Q431 E432L375-K428 HydrophobicContact CD1-CB 3.65Å; I407-K428 HydrophobicContact CD1-CB 4.39Å; I407-K428 HydrophobicContact CD1-CG 4.02Å; I407-K428 HydrophobicContact CG1-CG 3.85Å; E424-K428 WeakPolarHBondContact O-CG 3.42Å; E424-K428 PolarHBondContact O-N 3.07Å; L425-K428 PolarHBondContact O-N 2.91Å; K428-Q430 VanDerWaalsContact C-N 3.31Å; K428-Q430 PolarHBondContact O-N 3.42Å; K428-Q431 VanDerWaalsContact CD-OE1 3.25Å; K428-Q431 PolarHBondContact O-N 3.43Å; K428-E432 WeakPolarHBondContact O-CG 3.37Å; K428-E432 PolarHBondContact O-N 2.83Å
429V88.1Confident81.6Confident0 Ų046 Ų460%024%0.24CC..Hα-helixtrans-60-43.2173165.80000110.9F289 L375 L379 L425 L426 L433 L459F289-V429 HydrophobicContact CZ-CG1 3.83Å; L375-V429 HydrophobicContact CB-CG2 4.08Å; L379-V429 HydrophobicContact CD1-CG2 3.56Å; L425-V429 HydrophobicContact CD1-CG2 4.29Å; L425-V429 WeakPolarHBondContact O-CB 3.34Å; L425-V429 VanDerWaalsContact O-CG2 3.24Å; L425-V429 WeakPolarHBondContact O-CG2 3.29Å; L425-V429 PolarHBondContact O-N 2.63Å; L426-V429 PolarHBondContact O-N 3.39Å; V429-L433 HydrophobicContact CG1-CD1 4.11Å; V429-L433 WeakPolarHBondContact O-CD1 3.44Å; V429-L433 WeakPolarHBondContact O-CG 3.29Å; V429-L433 PolarHBondContact O-N 3.47Å; V429-L459 HydrophobicContact CG1-CD1 3.81Å
430Q87Confident79.1Confident31 Ų3150.4 Ų50.415%0.14525%0.254CS..Hα-helixtrans-63.4-47174.1173.1161.5-1300112L426 D427 K428 E432 L433 D434 L456 N460 H464L426-Q430 WeakPolarHBondContact O-CB 3.47Å; L426-Q430 PolarHBondContact O-N 2.81Å; D427-Q430 PolarHBondContact O-N 3.06Å; K428-Q430 VanDerWaalsContact C-N 3.31Å; K428-Q430 PolarHBondContact O-N 3.42Å; Q430-E432 VanDerWaalsContact C-N 3.33Å; Q430-E432 PolarHBondContact O-N 3.48Å; Q430-L433 PolarHBondContact O-N 3.27Å; Q430-D434 WeakPolarHBondContact O-CB 3.38Å; Q430-D434 PolarHBondContact O-N 3.04Å; Q430-L456 HydrophobicContact CG-CD1 3.71Å; Q430-N460 PolarHBondContact OE1-OD1 2.89Å; Q430-H464 PolarHBondContact OE1-CE1 3.36Å; Q430-H464 VanDerWaalsContact OE1-CE1 3.28Å
431Q85.8Confident76.6Confident82 Ų8256 Ų5638%0.38327%0.272SS..Hα-helixtrans-61.8-36178.7-74.6170.314.200113.1D427 K428 T435D427-Q431 WeakPolarHBondContact O-CB 3.43Å; D427-Q431 VanDerWaalsContact O-CG 3.28Å; D427-Q431 WeakPolarHBondContact O-CG 3.43Å; D427-Q431 PolarHBondContact O-N 3.17Å; D427-Q431 PolarHBondContact OD1-NE2 2.77Å; D427-Q431 PolarHBondContact OD2-NE2 2.78Å; K428-Q431 VanDerWaalsContact CD-OE1 3.25Å; K428-Q431 PolarHBondContact O-N 3.43Å; Q431-T435 WeakPolarHBondContact O-CB 3.19Å; Q431-T435 PolarHBondContact O-N 3.22Å; Q431-T435 PolarHBondContact O-OG1 3.31Å
432E84.4Confident74Confident36 Ų3663.9 Ų63.917%0.16831%0.312CS..Hα-helixtrans-60.5-53.2171.5-78.3-172.8-178.100110.6S374 L375 C376 L406 K428 Q430 D434 T435 E436S374-E432 PolarHBondContact OG-OE2 3.2Å; L375-E432 PolarHBondContact N-OE1 3.28Å; L375-E432 PolarHBondContact N-OE2 3.31Å; L375-E432 VanDerWaalsContact N-OE2 3.12Å; C376-E432 PolarHBondContact N-OE2 2.9Å; C376-E432 VanDerWaalsContact N-OE2 3.07Å; C376-E432 PolarHBondContact SG-OE2 2.99Å; L406-E432 WeakPolarHBondContact CD1-OE1 3.45Å; K428-E432 WeakPolarHBondContact O-CG 3.37Å; K428-E432 PolarHBondContact O-N 2.83Å; Q430-E432 VanDerWaalsContact C-N 3.33Å; Q430-E432 PolarHBondContact O-N 3.48Å; E432-D434 PolarHBondContact O-N 3.05Å; E432-T435 PolarHBondContact O-N 2.89Å; E432-T435 VanDerWaalsContact O-N 3.13Å; E432-E436 WeakPolarHBondContact O-CG 3.28Å; E432-E436 PolarHBondContact O-N 3.32Å
433L78.8Confident71.4Confident5 Ų568.8 Ų68.83%0.02634%0.342CS..Hα-helixtrans-63.9-38.3-177.6-67.2164.5000113.1V429 Q430 G437 V455 L456 L459V429-L433 HydrophobicContact CG1-CD1 4.11Å; V429-L433 WeakPolarHBondContact O-CD1 3.44Å; V429-L433 WeakPolarHBondContact O-CG 3.29Å; V429-L433 PolarHBondContact O-N 3.47Å; Q430-L433 PolarHBondContact O-N 3.27Å; L433-G437 PolarHBondContact O-N 2.8Å; L433-V455 HydrophobicContact CD1-CB 4.43Å; L433-V455 HydrophobicContact CD1-CG1 3.64Å; L433-V455 HydrophobicContact CD2-CB 4.38Å; L433-V455 HydrophobicContact CD2-CG1 4.13Å; L433-L456 HydrophobicContact CB-CB 4.33Å; L433-L459 HydrophobicContact CD1-CD1 3.32Å
434D79.6Confident69Low75 Ų7568.6 Ų68.640%0.40134%0.338SS..Hα-helixtrans-65-43.1171.6-88.7-46.7000111.7Q430 E432 G437 S438 L456Q430-D434 WeakPolarHBondContact O-CB 3.38Å; Q430-D434 PolarHBondContact O-N 3.04Å; E432-D434 PolarHBondContact O-N 3.05Å; D434-G437 PolarHBondContact O-N 2.82Å; D434-S438 PolarHBondContact O-N 3.2Å; D434-L456 WeakPolarHBondContact OD1-CD2 3.42Å
435T68.8Low66.8Low58 Ų5867.6 Ų67.636%0.35634%0.338SS..Hα-helixtrans-70.5-40.3-176.2-64.40000112.4Q431 E432 G437 S438 K439Q431-T435 WeakPolarHBondContact O-CB 3.19Å; Q431-T435 PolarHBondContact O-N 3.22Å; Q431-T435 PolarHBondContact O-OG1 3.31Å; E432-T435 PolarHBondContact O-N 2.89Å; E432-T435 VanDerWaalsContact O-N 3.13Å; T435-G437 PolarHBondContact O-N 3.41Å; T435-S438 PolarHBondContact O-N 2.6Å; T435-S438 VanDerWaalsContact O-N 3.1Å; T435-K439 HydrophobicContact CG2-CB 4.28Å; T435-K439 HydrophobicContact CG2-CD 3.76Å; T435-K439 HydrophobicContact CG2-CG 4.05Å; T435-K439 PolarHBondContact O-N 3.02Å
436E56.5Low64.7Low69 Ų6973.4 Ų73.432%0.32237%0.367SS..Hα-helixtrans-59.2-36.1172.4-72.6-157.3139.400112.2E432 S438 S452E432-E436 WeakPolarHBondContact O-CG 3.28Å; E432-E436 PolarHBondContact O-N 3.32Å; E436-S438 PolarHBondContact O-N 2.68Å; E436-S452 PolarHBondContact OE2-OG 3.46Å
437G50.1Low62.8Low27 Ų2777.6 Ų77.628%0.27839%0.393SS..Hα-helixtrans-66.9-20.717600000114.7L433 D434 T435L433-G437 PolarHBondContact O-N 2.8Å; D434-G437 PolarHBondContact O-N 2.82Å; T435-G437 PolarHBondContact O-N 3.41Å
438S48Very low61Low80 Ų8076.2 Ų76.256%0.55939%0.385SS*.Hα-helixtrans-121.2-48.5-164.2-156.80000114.8D434 T435 E436D434-S438 PolarHBondContact O-N 3.2Å; T435-S438 PolarHBondContact O-N 2.6Å; T435-S438 VanDerWaalsContact O-N 3.1Å; E436-S438 PolarHBondContact O-N 2.68Å
439K44.2Very low59.6Low169 Ų16977.3 Ų77.374%0.73539%0.388SS*.THydrogen-bonded Turntrans-85.1-18.6-170.6-63.9-172.2-169.5165.90114.9T435T435-K439 HydrophobicContact CG2-CB 4.28Å; T435-K439 HydrophobicContact CG2-CD 3.76Å; T435-K439 HydrophobicContact CG2-CG 4.05Å; T435-K439 PolarHBondContact O-N 3.02Å
440R44Very low58.2Low131 Ų13184.4 Ų84.449%0.49442%0.419SS..  trans-107.552.4179.5-67.1178.5179.7161.91.9111.8I442 I444 R449R440-I442 PolarHBondContact O-N 2.89Å; R440-I442 VanDerWaalsContact O-N 3.17Å; R440-I444 HydrophobicContact CB-CD1 3.56Å; R440-I444 HydrophobicContact CB-CG1 3.83Å; R440-I444 HydrophobicContact CG-CD1 4.36Å; R440-R449 PolarHBondContact O-NH2 3.24Å
441R42.8Very low57.2Low212 Ų21284.9 Ų84.980%0.842%0.422SS*.THydrogen-bonded Turntrans-58.6-23.9-177.7-102.6-173.1-177.5-169.82.1115R449R441-R449 PolarHBondContact O-NH1 2.63Å; R441-R449 PolarHBondContact O-NH2 3.18Å
442I42.9Very low56.3Low165 Ų16581.5 Ų81.585%0.84641%0.407SS*.THydrogen-bonded Turntrans-101.3-24.1-168.1-59.7173.9000113.7R440R440-I442 PolarHBondContact O-N 2.89Å; R440-I442 VanDerWaalsContact O-N 3.17Å
443V42.6Very low55.7Low105 Ų10586 Ų8664%0.63643%0.426SS*.THydrogen-bonded Turntrans-120.7-10.8-163.6-169.90000115.5L301L301-V443 HydrophobicContact CD2-CG1 4.29Å
444I42.6Very low55.2Low31 Ų3191.6 Ų91.616%0.15945%0.452CS..SBendtrans-90.9129.9-177.4-59179.8000111.8R440 K448 R449R440-I444 HydrophobicContact CB-CD1 3.56Å; R440-I444 HydrophobicContact CB-CG1 3.83Å; R440-I444 HydrophobicContact CG-CD1 4.36Å; I444-K448 HydrophobicContact CG2-CB 3.9Å; I444-R449 HydrophobicContact CB-CG 4.36Å; I444-R449 HydrophobicContact CG2-CG 3.95Å; I444-R449 VanDerWaalsContact O-CZ 3.24Å; I444-R449 PolarHBondContact O-NH2 2.97Å
445P49.3Very low54.8Low47 Ų4788.1 Ų88.131%0.30543%0.434SS..  trans-54.4143.8172.2-27.435.5000114.3T447 K448 R449P445-T447 PolarHBondContact O-N 2.97Å; P445-K448 PolarHBondContact O-N 2.95Å; P445-K448 VanDerWaalsContact O-N 3.15Å; P445-R449 PolarHBondContact O-N 2.86Å
446I50.9Low55.3Low123 Ų12386.4 Ų86.463%0.63142%0.422SS*.Hα-helixtrans-59.2-34.1-174.1-63.3168.2000112.4R449 K450I446-R449 PolarHBondContact O-N 3.26Å; I446-K450 PolarHBondContact O-N 3.48Å
447T52.4Low56.3Low90 Ų9090.4 Ų90.455%0.55244%0.438SS*.Hα-helixtrans-59-46.5177.446.70000112.1P445 R449 K450 L451P445-T447 PolarHBondContact O-N 2.97Å; T447-R449 PolarHBondContact O-N 2.78Å; T447-K450 PolarHBondContact O-N 3.42Å; T447-L451 PolarHBondContact O-N 3.45Å
448K53Low57.6Low20 Ų2091.2 Ų91.29%0.08744%0.438CS..Hα-helixtrans-68.4-37.4-178-64.8-159.9159.893.90113D293 E296 T297 I444 P445 K450 L451 S452D293-K448 WeakPolarHBondContact O-CE 3.41Å; E296-K448 PolarHBondContact O-NZ 2.87Å; T297-K448 VanDerWaalsContact CA-NZ 3.34Å; T297-K448 HydrophobicContact CG2-CD 3.92Å; T297-K448 WeakPolarHBondContact OG1-CE 3.33Å; T297-K448 PolarHBondContact OG1-NZ 3.12Å; I444-K448 HydrophobicContact CG2-CB 3.9Å; P445-K448 PolarHBondContact O-N 2.95Å; P445-K448 VanDerWaalsContact O-N 3.15Å; K448-K450 VanDerWaalsContact C-N 3.3Å; K448-K450 PolarHBondContact O-N 2.92Å; K448-L451 PolarHBondContact O-N 2.9Å; K448-L451 VanDerWaalsContact O-N 3.12Å; K448-S452 PolarHBondContact O-N 3.1Å; K448-S452 PolarHBondContact O-OG 3.27Å
449R59.3Low59.3Low67 Ų6787.6 Ų87.625%0.25341%0.412SS..Hα-helixtrans-63.6-33.6173.9-65.9-177.9-178.9147.73.8113.3R440 R441 I444 P445 I446 T447 K453R440-R449 PolarHBondContact O-NH2 3.24Å; R441-R449 PolarHBondContact O-NH1 2.63Å; R441-R449 PolarHBondContact O-NH2 3.18Å; I444-R449 HydrophobicContact CB-CG 4.36Å; I444-R449 HydrophobicContact CG2-CG 3.95Å; I444-R449 VanDerWaalsContact O-CZ 3.24Å; I444-R449 PolarHBondContact O-NH2 2.97Å; P445-R449 PolarHBondContact O-N 2.86Å; I446-R449 PolarHBondContact O-N 3.26Å; T447-R449 PolarHBondContact O-N 2.78Å; R449-K453 WeakPolarHBondContact O-CB 3.33Å; R449-K453 VanDerWaalsContact O-CG 3.25Å; R449-K453 WeakPolarHBondContact O-CG 3.41Å; R449-K453 PolarHBondContact O-N 3.34Å
450K60.1Low61.2Low150 Ų15082 Ų8265%0.65239%0.39SS*.Hα-helixtrans-68.4-43172.3-70.7-177.6178.2-177.40110.4I446 T447 K448 Q454I446-K450 PolarHBondContact O-N 3.48Å; T447-K450 PolarHBondContact O-N 3.42Å; K448-K450 VanDerWaalsContact C-N 3.3Å; K448-K450 PolarHBondContact O-N 2.92Å; K450-Q454 WeakPolarHBondContact O-CB 3.39Å; K450-Q454 PolarHBondContact O-N 2.65Å
451L64.6Low63.1Low41 Ų4178.7 Ų78.722%0.21539%0.385CS..Hα-helixtrans-67.7-51.1-178.5-167.362.6000113L292 T447 K448 K453 Q454 V455L292-L451 HydrophobicContact CD2-CD2 3.91Å; L292-L451 HydrophobicContact CD2-CG 3.89Å; T447-L451 PolarHBondContact O-N 3.45Å; K448-L451 PolarHBondContact O-N 2.9Å; K448-L451 VanDerWaalsContact O-N 3.12Å; L451-K453 VanDerWaalsContact C-N 3.27Å; L451-K453 PolarHBondContact O-N 3.27Å; L451-Q454 CarbonylContact O-C 3.59Å; L451-Q454 WeakPolarHBondContact O-CA 3.25Å; L451-Q454 WeakPolarHBondContact O-CB 3.45Å; L451-Q454 PolarHBondContact O-N 3.03Å; L451-V455 WeakPolarHBondContact O-CG2 3.15Å; L451-V455 PolarHBondContact O-N 3.29Å
452S67.6Low65.3Low11 Ų1168.7 Ų68.78%0.07735%0.347CS..Hα-helixtrans-60.3-36.3177.3-49.60000111.9E436 K448 V455 L456E436-S452 PolarHBondContact OE2-OG 3.46Å; K448-S452 PolarHBondContact O-N 3.1Å; K448-S452 PolarHBondContact O-OG 3.27Å; S452-V455 PolarHBondContact O-N 3.5Å; S452-L456 VanDerWaalsContact O-CB 3.27Å; S452-L456 WeakPolarHBondContact O-CB 3.17Å; S452-L456 PolarHBondContact O-N 3.45Å
453K70.8Confident67.5Low131 Ų13160.8 Ų60.857%0.5731%0.307SS*.Hα-helixtrans-68.3-34.7172.4-75.3-178.9171.8-173.20113.3R449 L451 K457R449-K453 WeakPolarHBondContact O-CB 3.33Å; R449-K453 VanDerWaalsContact O-CG 3.25Å; R449-K453 WeakPolarHBondContact O-CG 3.41Å; R449-K453 PolarHBondContact O-N 3.34Å; L451-K453 VanDerWaalsContact C-N 3.27Å; L451-K453 PolarHBondContact O-N 3.27Å; K453-K457 VanDerWaalsContact O-CB 3.31Å; K453-K457 WeakPolarHBondContact O-CB 3.5Å; K453-K457 PolarHBondContact O-N 3.25Å
454Q69.9Low69.8Low122 Ų12257.6 Ų57.657%0.5729%0.285SS*.Hα-helixtrans-67.7-45173.5178.2176-17.200110.7K450 L451 K457 V458K450-Q454 WeakPolarHBondContact O-CB 3.39Å; K450-Q454 PolarHBondContact O-N 2.65Å; L451-Q454 CarbonylContact O-C 3.59Å; L451-Q454 WeakPolarHBondContact O-CA 3.25Å; L451-Q454 WeakPolarHBondContact O-CB 3.45Å; L451-Q454 PolarHBondContact O-N 3.03Å; Q454-K457 PolarHBondContact O-N 3.42Å; Q454-V458 WeakPolarHBondContact O-CB 3.42Å; Q454-V458 VanDerWaalsContact O-CG2 3.31Å; Q454-V458 WeakPolarHBondContact O-CG2 3.31Å; Q454-V458 PolarHBondContact O-N 3.02Å
455V71.6Confident72.1Confident1 Ų156.1 Ų56.11%0.00628%0.277CS..Hα-helixtrans-60-50.2175174.50000111C288 L292 L433 L451 S452 K457 V458 L459C288-V455 VanDerWaalsContact SG-CA 3.59Å; C288-V455 WeakPolarHBondContact SG-CG2 3.44Å; L292-V455 HydrophobicContact CD1-CG2 4.46Å; L292-V455 HydrophobicContact CD2-CG2 3.53Å; L292-V455 HydrophobicContact CG-CG2 3.97Å; L433-V455 HydrophobicContact CD1-CB 4.43Å; L433-V455 HydrophobicContact CD1-CG1 3.64Å; L433-V455 HydrophobicContact CD2-CB 4.38Å; L433-V455 HydrophobicContact CD2-CG1 4.13Å; L451-V455 WeakPolarHBondContact O-CG2 3.15Å; L451-V455 PolarHBondContact O-N 3.29Å; S452-V455 PolarHBondContact O-N 3.5Å; V455-K457 VanDerWaalsContact C-N 3.34Å; V455-K457 PolarHBondContact O-N 2.86Å; V455-V458 CarbonylContact O-C 3.57Å; V455-V458 WeakPolarHBondContact O-CA 3.41Å; V455-V458 WeakPolarHBondContact O-CB 3.43Å; V455-V458 PolarHBondContact O-N 2.98Å; V455-L459 HydrophobicContact CG1-CD1 4.23Å; V455-L459 HydrophobicContact CG1-CG 4.36Å; V455-L459 WeakPolarHBondContact O-CG 3.44Å; V455-L459 PolarHBondContact O-N 3.39Å
456L78.7Confident74.3Confident22 Ų2256.6 Ų56.612%0.11528%0.275CS..Hα-helixtrans-54.9-46.3174.2176.766.8000112.4Q430 L433 D434 S452 V458 L459 N460Q430-L456 HydrophobicContact CG-CD1 3.71Å; L433-L456 HydrophobicContact CB-CB 4.33Å; D434-L456 WeakPolarHBondContact OD1-CD2 3.42Å; S452-L456 VanDerWaalsContact O-CB 3.27Å; S452-L456 WeakPolarHBondContact O-CB 3.17Å; S452-L456 PolarHBondContact O-N 3.45Å; L456-V458 VanDerWaalsContact C-N 3.3Å; L456-V458 PolarHBondContact O-N 3.28Å; L456-L459 PolarHBondContact O-N 3.32Å; L456-N460 WeakPolarHBondContact O-CB 3.49Å; L456-N460 PolarHBondContact O-N 3.33Å
457K77.6Confident76.4Confident153 Ų15351.7 Ų51.767%0.66525%0.25SS*.Hα-helixtrans-62.2-38.3176.1-176.2-179.4177.8-1760112K453 Q454 V455 T461K453-K457 VanDerWaalsContact O-CB 3.31Å; K453-K457 WeakPolarHBondContact O-CB 3.5Å; K453-K457 PolarHBondContact O-N 3.25Å; Q454-K457 PolarHBondContact O-N 3.42Å; V455-K457 VanDerWaalsContact C-N 3.34Å; V455-K457 PolarHBondContact O-N 2.86Å; K457-T461 WeakPolarHBondContact O-CB 3.28Å; K457-T461 PolarHBondContact O-N 3.49Å; K457-T461 PolarHBondContact O-OG1 2.95Å
458V76.9Confident78.5Confident44 Ų4447.9 Ų47.927%0.26723%0.227SC..Hα-helixtrans-67.5-48.9175.7167.80000110.6C288 Q454 V455 L456 N460 T461 I462C288-V458 HydrophobicContact CB-CG1 4.16Å; Q454-V458 WeakPolarHBondContact O-CB 3.42Å; Q454-V458 VanDerWaalsContact O-CG2 3.31Å; Q454-V458 WeakPolarHBondContact O-CG2 3.31Å; Q454-V458 PolarHBondContact O-N 3.02Å; V455-V458 CarbonylContact O-C 3.57Å; V455-V458 WeakPolarHBondContact O-CA 3.41Å; V455-V458 WeakPolarHBondContact O-CB 3.43Å; V455-V458 PolarHBondContact O-N 2.98Å; L456-V458 VanDerWaalsContact C-N 3.3Å; L456-V458 PolarHBondContact O-N 3.28Å; V458-N460 VanDerWaalsContact C-N 3.31Å; V458-N460 PolarHBondContact O-N 3.06Å; V458-T461 CarbonylContact O-C 3.52Å; V458-T461 WeakPolarHBondContact O-CA 3.38Å; V458-T461 WeakPolarHBondContact O-CB 3.39Å; V458-T461 PolarHBondContact O-N 2.77Å; V458-I462 HydrophobicContact CG1-CD1 3.54Å; V458-I462 HydrophobicContact CG1-CG1 4.12Å; V458-I462 VanDerWaalsContact O-CG1 3.29Å; V458-I462 WeakPolarHBondContact O-CG1 3.34Å; V458-I462 PolarHBondContact O-N 3.28Å
459L83.3Confident80.5Confident4 Ų447.5 Ų47.52%0.02123%0.227CC..Hα-helixtrans-53.8-46.5174.4-70.2177.7000112.3F285 F289 V429 L433 V455 L456 T461 I462 F463F285-L459 HydrophobicContact CD2-CD2 3.52Å; F285-L459 HydrophobicContact CE2-CD2 3.27Å; F285-L459 HydrophobicContact CZ-CD2 4.34Å; F289-L459 HydrophobicContact CE2-CD2 4.34Å; V429-L459 HydrophobicContact CG1-CD1 3.81Å; L433-L459 HydrophobicContact CD1-CD1 3.32Å; V455-L459 HydrophobicContact CG1-CD1 4.23Å; V455-L459 HydrophobicContact CG1-CG 4.36Å; V455-L459 WeakPolarHBondContact O-CG 3.44Å; V455-L459 PolarHBondContact O-N 3.39Å; L456-L459 PolarHBondContact O-N 3.32Å; L459-T461 PolarHBondContact O-N 3.39Å; L459-I462 PolarHBondContact O-N 3.06Å; L459-I462 VanDerWaalsContact O-N 3.17Å; L459-F463 PolarHBondContact O-N 2.94Å
460N83.4Confident82.2Confident51 Ų5145.3 Ų45.327%0.27322%0.219SC..Hα-helixtrans-65.9-29.2177.3-66.9-6.7000111.9Q430 L456 V458 H464Q430-N460 PolarHBondContact OE1-OD1 2.89Å; L456-N460 WeakPolarHBondContact O-CB 3.49Å; L456-N460 PolarHBondContact O-N 3.33Å; V458-N460 VanDerWaalsContact C-N 3.31Å; V458-N460 PolarHBondContact O-N 3.06Å; N460-H464 VanDerWaalsContact O-CB 3.31Å; N460-H464 WeakPolarHBondContact O-CB 3.45Å; N460-H464 PolarHBondContact O-N 3.24Å; N460-H464 PolarHBondContact OD1-CE1 3.04Å
461T84Confident83.9Confident63 Ų6339.1 Ų39.139%0.38719%0.194SC..Hα-helixtrans-79-31.9173.8-54.20000112.4K457 V458 L459 Q566K457-T461 WeakPolarHBondContact O-CB 3.28Å; K457-T461 PolarHBondContact O-N 3.49Å; K457-T461 PolarHBondContact O-OG1 2.95Å; V458-T461 CarbonylContact O-C 3.52Å; V458-T461 WeakPolarHBondContact O-CA 3.38Å; V458-T461 WeakPolarHBondContact O-CB 3.39Å; V458-T461 PolarHBondContact O-N 2.77Å; L459-T461 PolarHBondContact O-N 3.39Å; T461-Q566 WeakPolarHBondContact O-CB 3.42Å; T461-Q566 PolarHBondContact O-N 2.76Å
462I89.3Confident85.3Confident1 Ų138.2 Ų38.21%0.00519%0.19CC..Hα-helixtrans-68.9-57.5179.6-69.1169.3000110.1K284 F285 V458 L459 Q566 V567K284-I462 HydrophobicContact CB-CD1 4.17Å; F285-I462 HydrophobicContact CB-CD1 4.1Å; F285-I462 HydrophobicContact CD2-CD1 4.44Å; V458-I462 HydrophobicContact CG1-CD1 3.54Å; V458-I462 HydrophobicContact CG1-CG1 4.12Å; V458-I462 VanDerWaalsContact O-CG1 3.29Å; V458-I462 WeakPolarHBondContact O-CG1 3.34Å; V458-I462 PolarHBondContact O-N 3.28Å; L459-I462 PolarHBondContact O-N 3.06Å; L459-I462 VanDerWaalsContact O-N 3.17Å; I462-Q566 PolarHBondContact O-N 2.89Å; I462-V567 HydrophobicContact CG2-CB 3.97Å; I462-V567 HydrophobicContact CG2-CG2 3.73Å; I462-V567 PolarHBondContact O-N 2.79Å
463F90.2Very high86.5Confident0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-108.6-15.8-166.2-62.5-63.5000116.7L279 L282 F285 L426 L459 W487 V567 R569L279-F463 HydrophobicContact CD2-CE2 4.35Å; L279-F463 HydrophobicContact CD2-CZ 3.82Å; L282-F463 HydrophobicContact CD1-CE1 3.78Å; L282-F463 HydrophobicContact CD1-CZ 3.68Å; F285-F463 AromaticContact CD2-CE2 3.56Å; F285-F463 HydrophobicContact CD2-CE2 3.56Å; F285-F463 HydrophobicContact CD2-CZ 4.07Å; F285-F463 AromaticContact CE2-CE2 3.73Å; F285-F463 HydrophobicContact CE2-CE2 3.73Å; F285-F463 HydrophobicContact CE2-CZ 4.45Å; L426-F463 HydrophobicContact CD1-CD2 3.91Å; L426-F463 HydrophobicContact CD1-CE2 3.93Å; L426-F463 HydrophobicContact CD1-CG 4.3Å; L426-F463 HydrophobicContact CD1-CZ 4.37Å; L426-F463 HydrophobicContact CD2-CD2 4.24Å; L426-F463 HydrophobicContact CD2-CE2 3.86Å; L459-F463 PolarHBondContact O-N 2.94Å; F463-W487 HydrophobicContact CB-CE3 3.77Å; F463-W487 HydrophobicContact CB-CZ3 4.02Å; F463-W487 HydrophobicContact CD2-CZ3 4.49Å; F463-V567 HydrophobicContact CD1-CB 4.13Å; F463-V567 HydrophobicContact CD1-CG1 4.3Å; F463-V567 HydrophobicContact CE1-CB 4.04Å; F463-V567 HydrophobicContact CE1-CG1 3.92Å; F463-R569 HydrophobicContact CD1-CG 4.3Å
464H89.5Confident87.6Confident38 Ų3833.7 Ų33.718%0.17617%0.171CC..  trans-86.6120.3-178.2-67.761.8000111.9Q430 N460 F486 W487Q430-H464 PolarHBondContact OE1-CE1 3.36Å; Q430-H464 VanDerWaalsContact OE1-CE1 3.28Å; N460-H464 VanDerWaalsContact O-CB 3.31Å; N460-H464 WeakPolarHBondContact O-CB 3.45Å; N460-H464 PolarHBondContact O-N 3.24Å; N460-H464 PolarHBondContact OD1-CE1 3.04Å; H464-F486 WeakPolarHBondContact CA-O 3.47Å; H464-W487 AromaticContact CE1-CE2 3.46Å; H464-W487 VanDerWaalsContact CE1-CE2 3.46Å; H464-W487 AromaticContact CE1-CH2 3.45Å; H464-W487 VanDerWaalsContact CE1-CH2 3.45Å; H464-W487 WeakPolarHBondContact CE1-CH2 3.4Å; H464-W487 AromaticContact CE1-CZ2 3.2Å; H464-W487 WeakPolarHBondContact CE1-CZ2 3.32Å; H464-W487 AromaticContact CE1-CZ3 3.87Å; H464-W487 AromaticContact NE2-CE2 3.55Å; H464-W487 AromaticContact NE2-CZ2 3.56Å; H464-W487 AromaticContact NE2-NE1 3.66Å
465G92.1Very high88.6Confident0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-103.7-178160.400000111.5P485 F486 R563G465-P485 WeakPolarHBondContact O-CA 3.35Å; G465-F486 VanDerWaalsContact C-CE1 3.49Å; G465-F486 VanDerWaalsContact CA-CE1 3.46Å; G465-F486 PolarHBondContact N-O 3.32Å; G465-F486 PolarHBondContact O-N 3.19Å; G465-R563 CarbonylContact C-O 3.52Å; G465-R563 WeakPolarHBondContact CA-O 3.48Å
466Q94.3Very high89.5Confident56 Ų5634 Ų3426%0.26219%0.186SC..EExtended strand (participates in β ladder)trans-134.7136168.3-57.8176.8-82.700109.7V483 E484 F486 Y562 R563Q466-V483 HydrophobicContact CB-CG1 3.83Å; Q466-V483 HydrophobicContact CG-CG1 4.37Å; Q466-E484 CarbonylContact C-O 3.53Å; Q466-E484 VanDerWaalsContact CA-O 3.27Å; Q466-E484 WeakPolarHBondContact CA-O 3.37Å; Q466-F486 VanDerWaalsContact N-CE1 3.32Å; Q466-Y562 HydrophobicContact CB-CD1 4.2Å; Q466-Y562 WeakPolarHBondContact O-CA 3.48Å; Q466-Y562 WeakPolarHBondContact O-CB 3.4Å; Q466-Y562 PolarHBondContact O-N 2.94Å; Q466-R563 HydrophobicContact CB-CB 3.75Å; Q466-R563 HydrophobicContact CG-CB 3.89Å; Q466-R563 PolarHBondContact N-O 2.8Å; Q466-R563 PolarHBondContact O-N 3.42Å
467L95.8Very high90.2Very high20 Ų2039.6 Ų39.611%0.10521%0.21CC..EExtended strand (participates in β ladder)trans-94.4147.3169.9-70.6171.4000109.8V483 E484 F486 L489 F522 L560 I561L467-V483 CarbonylContact O-C 3.56Å; L467-V483 VanDerWaalsContact O-CA 3.3Å; L467-V483 WeakPolarHBondContact O-CA 3.3Å; L467-E484 PolarHBondContact N-O 3.37Å; L467-E484 PolarHBondContact O-N 3.03Å; L467-F486 HydrophobicContact CD1-CB 4.38Å; L467-F486 HydrophobicContact CD1-CD1 4.43Å; L467-F486 HydrophobicContact CD2-CD1 4.21Å; L467-F486 HydrophobicContact CD2-CE1 4.23Å; L467-F486 HydrophobicContact CG-CB 4.45Å; L467-F486 HydrophobicContact CG-CD1 3.66Å; L467-F486 HydrophobicContact CG-CE1 4.16Å; L467-F486 HydrophobicContact CG-CG 4.28Å; L467-L489 HydrophobicContact CD1-CD2 4.24Å; L467-L489 HydrophobicContact CD2-CD2 3.97Å; L467-L489 HydrophobicContact CG-CD2 4.38Å; L467-F522 HydrophobicContact CD1-CE1 4.44Å; L467-F522 HydrophobicContact CD1-CZ 3.95Å; L467-F522 HydrophobicContact CD2-CE1 3.91Å; L467-F522 HydrophobicContact CD2-CZ 4.24Å; L467-L560 CarbonylContact C-O 3.55Å; L467-L560 WeakPolarHBondContact CA-O 3.47Å; L467-I561 HydrophobicContact CD2-CG1 4.18Å
468L95.5Very high90.9Very high11 Ų1136.1 Ų36.16%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-103.4112.3166.117565.5000108.1N481 V483 L559 L560 C603L468-N481 HydrophobicContact CD1-CB 3.64Å; L468-V483 HydrophobicContact CD1-CG2 4.19Å; L468-L559 WeakPolarHBondContact O-CA 3.42Å; L468-L560 HydrophobicContact CB-CB 4.38Å; L468-L560 PolarHBondContact N-O 2.71Å; L468-L560 PolarHBondContact O-N 2.99Å; L468-C603 HydrophobicContact CD2-CB 3.88Å
469S95.6Very high91.7Very high12 Ų1239.5 Ų39.58%0.08421%0.207CC..EExtended strand (participates in β ladder)trans-89.9105.7166.6-1750000108.3N481 T482S469-N481 WeakPolarHBondContact O-CA 3.27Å; S469-T482 PolarHBondContact N-O 3.05Å; S469-T482 PolarHBondContact O-N 2.99Å
470Q94.9Very high92.1Very high21 Ų2140.5 Ų40.510%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-102.1117.5179.4178.1160.9115.600110.2K479 N481 K557 Q558Q470-K479 HydrophobicContact CG-CB 4.47Å; Q470-K479 VanDerWaalsContact OE1-CE 3.31Å; Q470-N481 WeakPolarHBondContact CG-OD1 3.4Å; Q470-N481 PolarHBondContact NE2-OD1 2.74Å; Q470-K557 CarbonylContact O-C 3.49Å; Q470-K557 WeakPolarHBondContact O-CA 3.09Å; Q470-Q558 PolarHBondContact N-O 3.01Å; Q470-Q558 PolarHBondContact O-N 2.7Å
471V95.3Very high92.6Very high19 Ų1942.5 Ų42.512%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-107.7115.6173.9-176.30000109.4S480 L528 Y533 A555 R556 K557V471-S480 PolarHBondContact N-O 3.02Å; V471-S480 PolarHBondContact O-N 3.41Å; V471-L528 HydrophobicContact CG1-CD1 4.15Å; V471-Y533 HydrophobicContact CB-CE2 4.42Å; V471-Y533 HydrophobicContact CG1-CD1 4.26Å; V471-Y533 HydrophobicContact CG1-CD2 3.88Å; V471-Y533 HydrophobicContact CG1-CE1 4.11Å; V471-Y533 HydrophobicContact CG1-CE2 3.72Å; V471-Y533 HydrophobicContact CG1-CG 4.15Å; V471-A555 HydrophobicContact CG1-CB 3.7Å; V471-R556 CarbonylContact C-O 3.58Å; V471-R556 WeakPolarHBondContact CA-O 3.28Å; V471-K557 HydrophobicContact CG2-CB 4.36Å; V471-K557 HydrophobicContact CG2-CD 4.48Å; V471-K557 HydrophobicContact CG2-CG 4.36Å
472T94.9Very high93.1Very high22 Ų2243.1 Ų43.114%0.13523%0.229CC..EExtended strand (participates in β ladder)trans-100.2113.8177-55.30000109.6L474 K479 A555 R556T472-L474 PolarHBondContact O-N 3.49Å; T472-K479 HydrophobicContact CG2-CG 4.26Å; T472-A555 CarbonylContact O-C 3.53Å; T472-A555 VanDerWaalsContact O-CA 3.23Å; T472-A555 WeakPolarHBondContact O-CA 3.41Å; T472-A555 WeakPolarHBondContact O-CB 3.46Å; T472-R556 PolarHBondContact N-O 2.67Å; T472-R556 PolarHBondContact O-N 2.94Å
473C93.9Very high93.4Very high0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-66.1127.2174.4177.40000110.5S475 C476 K477 H478 Y533 C535 S553C473-S475 VanDerWaalsContact C-N 3.35Å; C473-S475 PolarHBondContact O-N 3.34Å; C473-C476 VanDerWaalsContact SG-SG 3.61Å; C473-K477 WeakPolarHBondContact O-CA 3.12Å; C473-K477 PolarHBondContact O-N 2.88Å; C473-H478 PolarHBondContact N-O 3.26Å; C473-Y533 HydrophobicContact CB-CD1 4.45Å; C473-Y533 HydrophobicContact CB-CE1 4.04Å; C473-C535 HydrophobicContact CB-CB 4.16Å; C473-S553 PolarHBondContact SG-OG 3.01Å
474L92.7Very high93.6Very high47 Ų4750.8 Ų50.825%0.24627%0.269CS..THydrogen-bonded Turntrans-73.4-27.4179.8-66.1-172.7000112.8T472 K477 E554 R556T472-L474 PolarHBondContact O-N 3.49Å; L474-K477 WeakPolarHBondContact O-CE 3.3Å; L474-K477 PolarHBondContact O-NZ 3.05Å; L474-E554 HydrophobicContact CB-CB 4.29Å; L474-E554 WeakPolarHBondContact CB-O 3.47Å; L474-E554 HydrophobicContact CD1-CB 3.87Å; L474-E554 HydrophobicContact CG-CB 4.34Å; L474-E554 PolarHBondContact N-O 3.06Å; L474-R556 HydrophobicContact CD2-CG 4.06Å
475S90.4Very high93.7Very high87 Ų8753.6 Ų53.661%0.60829%0.29SS*.THydrogen-bonded Turntrans-74.1-40.6-179.4-42.10000114.1C473 S553C473-S475 VanDerWaalsContact C-N 3.35Å; C473-S475 PolarHBondContact O-N 3.34Å; S475-S553 WeakPolarHBondContact OG-CB 3.35Å
476C91.3Very high93.8Very high44 Ų4454.2 Ų54.230%0.29729%0.293SS..THydrogen-bonded Turntrans-120.62.1-176.270.70000115C473 H478 C535C473-C476 VanDerWaalsContact SG-SG 3.61Å; C476-H478 PolarHBondContact O-N 3.1Å; C476-H478 VanDerWaalsContact SG-CB 3.57Å; C476-C535 VanDerWaalsContact SG-SG 3.68Å
477K93.4Very high93.6Very high139 Ų13954.8 Ų54.860%0.60429%0.293SS*.  trans57.44.5-177.6-48.3-51-174.4-162.40115.9C473 L474 K479C473-K477 WeakPolarHBondContact O-CA 3.12Å; C473-K477 PolarHBondContact O-N 2.88Å; L474-K477 WeakPolarHBondContact O-CE 3.3Å; L474-K477 PolarHBondContact O-NZ 3.05Å; K477-K479 PolarHBondContact O-N 2.84Å
478H92.1Very high93.5Very high79 Ų7955.1 Ų55.137%0.36630%0.295SS..  trans-62.1131174.1-177.670.8000110.8C473 C476 H537C473-H478 PolarHBondContact N-O 3.26Å; C476-H478 PolarHBondContact O-N 3.1Å; C476-H478 VanDerWaalsContact SG-CB 3.57Å; H478-H537 HydrophobicContact CB-CB 4.15Å
479K92.7Very high93.6Very high115 Ų11554.7 Ų54.750%0.529%0.293SS..EExtended strand (participates in β ladder)trans-95.4121.3175.2-65.5-176.4164.7-153.70109.5Q470 T472 K477Q470-K479 HydrophobicContact CG-CB 4.47Å; Q470-K479 VanDerWaalsContact OE1-CE 3.31Å; T472-K479 HydrophobicContact CG2-CG 4.26Å; K477-K479 PolarHBondContact O-N 2.84Å
480S92.9Very high93.6Very high26 Ų2655.6 Ų55.618%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-104.1128.9169.7-67.30000109.3V471 Y533V471-S480 PolarHBondContact N-O 3.02Å; V471-S480 PolarHBondContact O-N 3.41Å; S480-Y533 PolarHBondContact OG-OH 3.24Å
481N93.8Very high93.8Very high93 Ų9354.6 Ų54.650%0.49729%0.294SS..EExtended strand (participates in β ladder)trans-115.9126.6-173.9-75.8-11.6000109.5L468 S469 Q470L468-N481 HydrophobicContact CD1-CB 3.64Å; S469-N481 WeakPolarHBondContact O-CA 3.27Å; Q470-N481 WeakPolarHBondContact CG-OD1 3.4Å; Q470-N481 PolarHBondContact NE2-OD1 2.74Å
482T94.8Very high93.7Very high76 Ų7659.2 Ų59.247%0.46632%0.315SS..EExtended strand (participates in β ladder)trans-115.9133.7169.4-53.90000108.5S469 E484S469-T482 PolarHBondContact N-O 3.05Å; S469-T482 PolarHBondContact O-N 2.99Å; T482-E484 HydrophobicContact CG2-CG 4.04Å
483V95.6Very high93.6Very high64 Ų6458.5 Ų58.539%0.38831%0.31SS..EExtended strand (participates in β ladder)trans-108.6122.4177.8-179.20000109.4Q466 L467 L468 Y562Q466-V483 HydrophobicContact CB-CG1 3.83Å; Q466-V483 HydrophobicContact CG-CG1 4.37Å; L467-V483 CarbonylContact O-C 3.56Å; L467-V483 VanDerWaalsContact O-CA 3.3Å; L467-V483 WeakPolarHBondContact O-CA 3.3Å; L468-V483 HydrophobicContact CD1-CG2 4.19Å; V483-Y562 HydrophobicContact CG1-CD1 3.83Å; V483-Y562 HydrophobicContact CG1-CE1 4.37Å; V483-Y562 HydrophobicContact CG1-CG 4.35Å; V483-Y562 HydrophobicContact CG2-CD1 4.39Å; V483-Y562 HydrophobicContact CG2-CG 4.45Å
484E93.1Very high93.5Very high98 Ų9859 Ų5946%0.45831%0.313SS..EExtended strand (participates in β ladder)trans-123.6134-173.9-65.1176.5174.800109.9Q466 L467 T482Q466-E484 CarbonylContact C-O 3.53Å; Q466-E484 VanDerWaalsContact CA-O 3.27Å; Q466-E484 WeakPolarHBondContact CA-O 3.37Å; L467-E484 PolarHBondContact N-O 3.37Å; L467-E484 PolarHBondContact O-N 3.03Å; T482-E484 HydrophobicContact CG2-CG 4.04Å
485P93.4Very high93.2Very high97 Ų9764.5 Ų64.563%0.6334%0.337SS*.EExtended strand (participates in β ladder)trans-70.6145176.230.8-34000110.6G465G465-P485 WeakPolarHBondContact O-CA 3.35Å
486F93.2Very high93Very high13 Ų1366.1 Ų66.16%0.05733%0.33CS..EExtended strand (participates in β ladder)trans-132.5152.1171.577.3-91.8000112.1H464 G465 Q466 L467 L489 I561 P565 L568H464-F486 WeakPolarHBondContact CA-O 3.47Å; G465-F486 VanDerWaalsContact C-CE1 3.49Å; G465-F486 VanDerWaalsContact CA-CE1 3.46Å; G465-F486 PolarHBondContact N-O 3.32Å; G465-F486 PolarHBondContact O-N 3.19Å; Q466-F486 VanDerWaalsContact N-CE1 3.32Å; L467-F486 HydrophobicContact CD1-CB 4.38Å; L467-F486 HydrophobicContact CD1-CD1 4.43Å; L467-F486 HydrophobicContact CD2-CD1 4.21Å; L467-F486 HydrophobicContact CD2-CE1 4.23Å; L467-F486 HydrophobicContact CG-CB 4.45Å; L467-F486 HydrophobicContact CG-CD1 3.66Å; L467-F486 HydrophobicContact CG-CE1 4.16Å; L467-F486 HydrophobicContact CG-CG 4.28Å; F486-L489 HydrophobicContact CD1-CD2 4.25Å; F486-L489 HydrophobicContact CD2-CD2 3.52Å; F486-L489 HydrophobicContact CD2-CG 4.02Å; F486-L489 HydrophobicContact CE1-CD2 4.22Å; F486-L489 HydrophobicContact CE2-CD1 4.35Å; F486-L489 HydrophobicContact CE2-CD2 3.53Å; F486-L489 HydrophobicContact CE2-CG 3.69Å; F486-L489 HydrophobicContact CG-CD2 3.89Å; F486-L489 HydrophobicContact CZ-CD1 4.44Å; F486-L489 HydrophobicContact CZ-CD2 3.88Å; F486-L489 HydrophobicContact CZ-CG 4.2Å; F486-I561 HydrophobicContact CE1-CG2 4.38Å; F486-P565 HydrophobicContact CE2-CG 4.24Å; F486-P565 HydrophobicContact CZ-CG 4.23Å; F486-L568 HydrophobicContact CE2-CD1 4.05Å; F486-L568 HydrophobicContact CZ-CD1 4.29Å
487W90.1Very high92.8Very high67 Ų6765.3 Ų65.325%0.25432%0.321SS..SBendtrans-107.9-40.6179.9-84.996.4000111L426 F463 H464 R569L426-W487 HydrophobicContact CB-CE3 4.48Å; L426-W487 HydrophobicContact CB-CH2 4.06Å; L426-W487 HydrophobicContact CB-CZ3 3.72Å; L426-W487 HydrophobicContact CD1-CE3 4.4Å; L426-W487 HydrophobicContact CD1-CZ3 4.12Å; L426-W487 HydrophobicContact CG-CZ3 4.48Å; F463-W487 HydrophobicContact CB-CE3 3.77Å; F463-W487 HydrophobicContact CB-CZ3 4.02Å; F463-W487 HydrophobicContact CD2-CZ3 4.49Å; H464-W487 AromaticContact CE1-CE2 3.46Å; H464-W487 VanDerWaalsContact CE1-CE2 3.46Å; H464-W487 AromaticContact CE1-CH2 3.45Å; H464-W487 VanDerWaalsContact CE1-CH2 3.45Å; H464-W487 WeakPolarHBondContact CE1-CH2 3.4Å; H464-W487 AromaticContact CE1-CZ2 3.2Å; H464-W487 WeakPolarHBondContact CE1-CZ2 3.32Å; H464-W487 AromaticContact CE1-CZ3 3.87Å; H464-W487 AromaticContact NE2-CE2 3.55Å; H464-W487 AromaticContact NE2-CZ2 3.56Å; H464-W487 AromaticContact NE2-NE1 3.66Å; W487-R569 VanDerWaalsContact CB-NH2 3.28Å; W487-R569 VanDerWaalsContact CE3-NH2 3.34Å; W487-R569 PolarHBondContact O-NE 2.92Å; W487-R569 PolarHBondContact O-NH2 3.35Å
488D94.4Very high92.2Very high28 Ų2860.9 Ų60.915%0.1530%0.302CS..  trans-135.7159.517070.4-97.2000110.2Q419 S490 R569Q419-D488 PolarHBondContact NE2-OD1 2.95Å; D488-S490 PolarHBondContact OD2-N 3.33Å; D488-S490 PolarHBondContact OD2-OG 2.9Å; D488-R569 WeakPolarHBondContact CA-O 3.37Å; D488-R569 HydrophobicContact CB-CB 4Å
489L96.6Very high91.1Very high2 Ų260.7 Ų60.71%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-101.2104.6164.7-56.5-179.2000108L467 F486 L491 F522 I561 L568 R569 L570 H571L467-L489 HydrophobicContact CD1-CD2 4.24Å; L467-L489 HydrophobicContact CD2-CD2 3.97Å; L467-L489 HydrophobicContact CG-CD2 4.38Å; F486-L489 HydrophobicContact CD1-CD2 4.25Å; F486-L489 HydrophobicContact CD2-CD2 3.52Å; F486-L489 HydrophobicContact CD2-CG 4.02Å; F486-L489 HydrophobicContact CE1-CD2 4.22Å; F486-L489 HydrophobicContact CE2-CD1 4.35Å; F486-L489 HydrophobicContact CE2-CD2 3.53Å; F486-L489 HydrophobicContact CE2-CG 3.69Å; F486-L489 HydrophobicContact CG-CD2 3.89Å; F486-L489 HydrophobicContact CZ-CD1 4.44Å; F486-L489 HydrophobicContact CZ-CD2 3.88Å; F486-L489 HydrophobicContact CZ-CG 4.2Å; L489-L491 HydrophobicContact CB-CD2 4.07Å; L489-L491 PolarHBondContact O-N 3.09Å; L489-F522 HydrophobicContact CD2-CE1 4.03Å; L489-F522 HydrophobicContact CD2-CZ 3.88Å; L489-I561 HydrophobicContact CD1-CD1 3.94Å; L489-I561 HydrophobicContact CD1-CG1 4.41Å; L489-L568 HydrophobicContact CD1-CD1 4.02Å; L489-L568 HydrophobicContact CG-CD1 4.31Å; L489-R569 PolarHBondContact N-O 2.97Å; L489-L570 HydrophobicContact CB-CD2 3.82Å; L489-L570 HydrophobicContact CD1-CD2 3.91Å; L489-L570 HydrophobicContact CG-CD2 4.21Å; L489-L570 WeakPolarHBondContact O-CA 3.24Å; L489-H571 PolarHBondContact O-N 3.29Å
490S97.1Very high89.5Confident30 Ų3065 Ų6521%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-81.895.8175.4-78.40000110.2D488 H571 K573D488-S490 PolarHBondContact OD2-N 3.33Å; D488-S490 PolarHBondContact OD2-OG 2.9Å; S490-H571 CarbonylContact C-O 3.45Å; S490-H571 WeakPolarHBondContact CA-O 3.33Å; S490-H571 PolarHBondContact OG-ND1 3.42Å; S490-K573 VanDerWaalsContact O-CE 3.27Å; S490-K573 WeakPolarHBondContact O-CE 3.24Å
491L97.1Very high87.5Confident0 Ų070.2 Ų70.20%035%0.349CS..EExtended strand (participates in β ladder)trans-81.9133.5-174-53.5-177.9000112.1L489 L515 M518 L519 F522 L570 H571 L572 K573L489-L491 HydrophobicContact CB-CD2 4.07Å; L489-L491 PolarHBondContact O-N 3.09Å; L491-L515 HydrophobicContact CD1-CD1 3.79Å; L491-M518 HydrophobicContact CB-CB 4.2Å; L491-M518 HydrophobicContact CB-CE 3.93Å; L491-M518 HydrophobicContact CD1-CB 4.01Å; L491-L519 HydrophobicContact CD1-CD2 3.97Å; L491-L519 HydrophobicContact CD1-CG 4.1Å; L491-L519 HydrophobicContact CD2-CD2 4.01Å; L491-F522 HydrophobicContact CD2-CB 3.84Å; L491-F522 HydrophobicContact CD2-CD2 3.95Å; L491-F522 HydrophobicContact CD2-CG 3.87Å; L491-L570 HydrophobicContact CD1-CB 4.25Å; L491-H571 PolarHBondContact N-O 2.93Å; L491-L572 HydrophobicContact CB-CD2 4.22Å; L491-L572 HydrophobicContact CD1-CD2 4Å; L491-L572 HydrophobicContact CG-CD2 4.49Å; L491-K573 WeakPolarHBondContact O-CB 3.29Å; L491-K573 PolarHBondContact O-N 2.88Å
492E94.5Very high85.3Confident117 Ų11774.1 Ų74.155%0.54736%0.361SS..PPolyproline II helixtrans-88.3147.6176.4-78.5173.5-161.600112M518 K573E492-M518 WeakPolarHBondContact O-CE 3.36Å; E492-K573 HydrophobicContact CG-CD 3.68Å; E492-K573 IonicContact OE1-NZ 3.72Å; E492-K573 PolarHBondContact OE1-NZ 3.03Å
493F93.1Very high82.9Confident7 Ų772.4 Ų72.43%0.03136%0.359CS..PPolyproline II helixtrans-79133.1171.5-76.2-97.9000109.2H498 M518 L572 K573 R574 I586 V590F493-H498 PolarHBondContact O-CE1 3.03Å; F493-H498 PolarHBondContact O-NE2 3.24Å; F493-M518 HydrophobicContact CD1-CE 4.16Å; F493-M518 HydrophobicContact CD2-CE 3.79Å; F493-M518 HydrophobicContact CE1-CE 4.22Å; F493-M518 HydrophobicContact CE1-SD 4.34Å; F493-M518 HydrophobicContact CE2-CE 3.83Å; F493-M518 HydrophobicContact CG-CE 3.96Å; F493-M518 HydrophobicContact CZ-CE 4.04Å; F493-M518 HydrophobicContact CZ-SD 4.48Å; F493-L572 HydrophobicContact CE2-CB 4.15Å; F493-L572 HydrophobicContact CZ-CB 4.28Å; F493-K573 WeakPolarHBondContact CD2-O 3.47Å; F493-R574 HydrophobicContact CE2-CB 4.47Å; F493-R574 HydrophobicContact CE2-CG 3.78Å; F493-R574 HydrophobicContact CZ-CG 3.86Å; F493-I586 HydrophobicContact CB-CD1 3.73Å; F493-I586 HydrophobicContact CD1-CD1 4.34Å; F493-I586 HydrophobicContact CD1-CG2 3.74Å; F493-I586 HydrophobicContact CD2-CD1 3.53Å; F493-I586 HydrophobicContact CD2-CG2 4.46Å; F493-I586 HydrophobicContact CE1-CG2 3.76Å; F493-I586 HydrophobicContact CE2-CB 4.49Å; F493-I586 HydrophobicContact CE2-CD1 4.23Å; F493-I586 HydrophobicContact CE2-CG2 4.49Å; F493-I586 HydrophobicContact CG-CD1 3.6Å; F493-I586 HydrophobicContact CG-CG2 4.1Å; F493-I586 HydrophobicContact CZ-CG2 4.16Å; F493-V590 HydrophobicContact CE1-CG2 3.51Å; F493-V590 HydrophobicContact CZ-CG2 3.86Å
494P91.3Very high80.4Confident11 Ų1176.3 Ų76.37%0.07139%0.385CS..PPolyproline II helixtrans-54.2140169.2-27.733.5000111.8R496 Y497 E517P494-R496 PolarHBondContact O-N 3.34Å; P494-Y497 HydrophobicContact CB-CD2 3.94Å; P494-Y497 HydrophobicContact CB-CE2 4.16Å; P494-Y497 HydrophobicContact CG-CD2 4.13Å; P494-Y497 HydrophobicContact CG-CE2 4.14Å; P494-Y497 WeakPolarHBondContact O-CB 3.39Å; P494-Y497 WeakPolarHBondContact O-CD2 3.46Å; P494-Y497 PolarHBondContact O-N 3.45Å; P494-E517 HydrophobicContact CG-CG 4.07Å
495E86.6Confident78.2Confident162 Ų16274.8 Ų74.876%0.75740%0.396SS*.G310 helixtrans-55.6-29.9-166.9-62.2-173149.500115.1Y497 H498E495-Y497 PolarHBondContact O-N 2.97Å; E495-Y497 VanDerWaalsContact O-N 3.11Å; E495-H498 WeakPolarHBondContact O-CB 3.33Å; E495-H498 PolarHBondContact O-N 3.44Å
496R86.6Confident76Confident121 Ų12174 Ų7446%0.45740%0.397SS..G310 helixtrans-60.6-19.2175.568.6-175.8-165.9-95.62.1114.4P494 E517P494-R496 PolarHBondContact O-N 3.34Å; R496-E517 IonicContact CZ-OE1 3.68Å; R496-E517 IonicContact CZ-OE2 2.65Å; R496-E517 IonicContact NH1-OE1 3.71Å; R496-E517 PolarHBondContact NH1-OE1 3.39Å; R496-E517 IonicContact NH1-OE2 2.7Å; R496-E517 IonicContact NH2-OE1 2.74Å; R496-E517 PolarHBondContact NH2-OE1 3.31Å; R496-E517 IonicContact NH2-OE2 3.18Å; R496-E517 PolarHBondContact NH2-OE2 3.04Å
497Y85.6Confident73.6Confident27 Ų2779 Ų7911%0.10643%0.429CS..G310 helixtrans-89.5-6.4174.6-61.2-61.9000113.5P494 E495 R511 S512 C513 V588P494-Y497 HydrophobicContact CB-CD2 3.94Å; P494-Y497 HydrophobicContact CB-CE2 4.16Å; P494-Y497 HydrophobicContact CG-CD2 4.13Å; P494-Y497 HydrophobicContact CG-CE2 4.14Å; P494-Y497 WeakPolarHBondContact O-CB 3.39Å; P494-Y497 WeakPolarHBondContact O-CD2 3.46Å; P494-Y497 PolarHBondContact O-N 3.45Å; E495-Y497 PolarHBondContact O-N 2.97Å; E495-Y497 VanDerWaalsContact O-N 3.11Å; Y497-R511 VanDerWaalsContact CE1-O 3.27Å; Y497-R511 WeakPolarHBondContact CE1-O 3.48Å; Y497-R511 PolarHBondContact OH-O 3.18Å; Y497-S512 PolarHBondContact OH-O 2.9Å; Y497-C513 HydrophobicContact CD2-CB 4.35Å; Y497-C513 HydrophobicContact CE1-CB 4.04Å; Y497-C513 HydrophobicContact CE2-CB 3.81Å; Y497-C513 WeakPolarHBondContact OH-CA 3.13Å; Y497-C513 PolarHBondContact OH-N 3.32Å; Y497-V588 HydrophobicContact CD1-CG1 3.97Å; Y497-V588 HydrophobicContact CD1-CG2 4.27Å; Y497-V588 HydrophobicContact CE1-CG1 4.26Å
498H82Confident71.4Confident45 Ų4580.5 Ų80.521%0.20846%0.456CS..THydrogen-bonded Turntrans-78.4-27.7178.4-68.7166000113.4F493 E495 R576F493-H498 PolarHBondContact O-CE1 3.03Å; F493-H498 PolarHBondContact O-NE2 3.24Å; E495-H498 WeakPolarHBondContact O-CB 3.33Å; E495-H498 PolarHBondContact O-N 3.44Å; H498-R576 VanDerWaalsContact CB-CZ 3.48Å; H498-R576 PolarHBondContact O-NH2 3.46Å
499S68Low69.1Low75 Ų7589 Ų8952%0.52449%0.487SS..  trans-100.6113-174.1-65.70000112N501S499-N501 PolarHBondContact O-N 3.02Å
500R59.2Low67.1Low206 Ų20697.8 Ų97.878%0.77753%0.528SS*.  trans-81.561.7170.2-158.7-179.475.8-1800.3111.3K502R500-K502 PolarHBondContact O-N 3.46Å
501N51.1Low65.5Low135 Ų135104.7 Ų104.772%0.72255%0.55SS**  trans-64.592.5179.5-85.21.2000111.3S499 G503S499-N501 PolarHBondContact O-N 3.02Å; N501-G503 PolarHBondContact O-N 3.48Å
502K47.9Very low64.7Low176 Ų176109.4 Ų109.477%0.76558%0.583SS**  trans-76.757.6163.4-71.6-168.4169.1-163.50110.5R500R500-K502 PolarHBondContact O-N 3.46Å
503G43.7Very low64.5Low40 Ų40103.8 Ų103.841%0.41256%0.557SS.*  trans-79.5130.6170.800000110.3N501 G505 A506N501-G503 PolarHBondContact O-N 3.48Å; G503-G505 VanDerWaalsContact C-N 3.3Å; G503-G505 PolarHBondContact O-N 2.99Å; G503-A506 PolarHBondContact O-N 3.34Å
504P44.7Very low64.7Low145 Ų145105.1 Ų105.194%0.94257%0.567SS**THydrogen-bonded Turntrans-71.488.6171.630.4-32.5000108.8
505G46.8Very low64.9Low66 Ų66104.8 Ų104.868%0.6856%0.564SS**THydrogen-bonded Turntrans148.2-6.4-17300000115.2G503 T507G503-G505 VanDerWaalsContact C-N 3.3Å; G503-G505 PolarHBondContact O-N 2.99Å; G505-T507 VanDerWaalsContact C-N 3.29Å; G505-T507 PolarHBondContact O-N 2.94Å
506A47.4Very low65.4Low80 Ų80101.2 Ų101.266%0.66155%0.549SS*.  trans-73.679.7174.300000111.6G503 A508G503-A506 PolarHBondContact O-N 3.34Å; A506-A508 PolarHBondContact O-N 3.32Å
507T41.3Very low65.8Low119 Ų11997.7 Ų97.773%0.7354%0.538SS*.  trans-67.1109.4177.340.90000112.3G505 Y509G505-T507 VanDerWaalsContact C-N 3.29Å; G505-T507 PolarHBondContact O-N 2.94Å; T507-Y509 VanDerWaalsContact C-N 3.28Å; T507-Y509 PolarHBondContact O-N 3.2Å
508A45.4Very low66.3Low99 Ų9996.4 Ų96.482%0.81853%0.533SS*.SBendtrans52.411.6137.600000121.5A506A506-A508 PolarHBondContact O-N 3.32Å
509Y44.4Very low67.1Low205 Ų20594.3 Ų94.380%0.80452%0.523SS*.  trans-106.365163.5-73.9-76.3000111.4T507 R511T507-Y509 VanDerWaalsContact C-N 3.28Å; T507-Y509 PolarHBondContact O-N 3.2Å; Y509-R511 PolarHBondContact O-N 3.41Å
510Q55.7Low68.4Low187 Ų18793.4 Ų93.487%0.87452%0.517SS*.  trans-70.675.4164.7-173.1166.8-16.700108.9S512Q510-S512 PolarHBondContact O-N 2.86Å; Q510-S512 VanDerWaalsContact O-N 3.13Å
511R63.4Low70.1Confident176 Ų17688.6 Ų88.666%0.66450%0.502SS*.PPolyproline II helixtrans-51.9118.3178.8-75.8-177.7166.8124.2-4.2109.4Y497 Y509 C513Y497-R511 VanDerWaalsContact CE1-O 3.27Å; Y497-R511 WeakPolarHBondContact CE1-O 3.48Å; Y497-R511 PolarHBondContact OH-O 3.18Å; Y509-R511 PolarHBondContact O-N 3.41Å; R511-C513 PolarHBondContact O-N 3.25Å
512S79.6Confident72.3Confident98 Ų9884.3 Ų84.369%0.68548%0.477SS*.PPolyproline II helixtrans-56126.517440.90000109.8Y497 Q510Y497-S512 PolarHBondContact OH-O 2.9Å; Q510-S512 PolarHBondContact O-N 2.86Å; Q510-S512 VanDerWaalsContact O-N 3.13Å
513C91.6Very high74.6Confident0 Ų076.5 Ų76.50%044%0.444CS..EExtended strand (participates in β ladder)trans-75136.5166.7-170.70000107.3Y497 R511 V588 V590 A591Y497-C513 HydrophobicContact CD2-CB 4.35Å; Y497-C513 HydrophobicContact CE1-CB 4.04Å; Y497-C513 HydrophobicContact CE2-CB 3.81Å; Y497-C513 WeakPolarHBondContact OH-CA 3.13Å; Y497-C513 PolarHBondContact OH-N 3.32Å; R511-C513 PolarHBondContact O-N 3.25Å; C513-V588 HydrophobicContact CB-CG1 3.93Å; C513-V590 HydrophobicContact CB-CG2 4.16Å; C513-V590 CarbonylContact O-C 3.51Å; C513-V590 WeakPolarHBondContact O-CA 3.11Å; C513-A591 PolarHBondContact O-N 3.46Å
514S95.6Very high77Confident35 Ų3579.6 Ų79.625%0.24545%0.448CS..EExtended strand (participates in β ladder)trans-122.1152.2175.772.20000111.2I516 E517 M518 A591S514-I516 PolarHBondContact O-N 2.78Å; S514-E517 WeakPolarHBondContact O-CB 3.49Å; S514-E517 PolarHBondContact O-N 2.79Å; S514-E517 WeakPolarHBondContact OG-CB 3.42Å; S514-E517 PolarHBondContact OG-N 3.05Å; S514-E517 VanDerWaalsContact OG-N 3.12Å; S514-M518 PolarHBondContact O-N 3.4Å; S514-M518 VanDerWaalsContact O-N 3.09Å; S514-A591 WeakPolarHBondContact CA-O 3.41Å
515L96.8Very high79.4Confident3 Ų376.6 Ų76.62%0.01642%0.422CS..Hα-helixtrans-61.3-36.8175.2-175.266.3000111.7L491 E517 M518 L519 L570 L572 V590 A591 F592 L596 L671 Y673L491-L515 HydrophobicContact CD1-CD1 3.79Å; L515-E517 VanDerWaalsContact C-N 3.31Å; L515-E517 PolarHBondContact O-N 3.33Å; L515-M518 PolarHBondContact O-N 3.17Å; L515-L519 HydrophobicContact CG-CD1 4.14Å; L515-L519 WeakPolarHBondContact O-CB 3.34Å; L515-L519 WeakPolarHBondContact O-CG 3.23Å; L515-L519 PolarHBondContact O-N 3.43Å; L515-L570 HydrophobicContact CD1-CD1 3.89Å; L515-L570 HydrophobicContact CD2-CD1 3.87Å; L515-L570 HydrophobicContact CG-CD1 4.21Å; L515-L572 HydrophobicContact CD1-CD2 4.1Å; L515-V590 HydrophobicContact CB-CG1 4.39Å; L515-A591 PolarHBondContact N-O 3.27Å; L515-F592 HydrophobicContact CB-CB 3.95Å; L515-F592 HydrophobicContact CD2-CB 3.85Å; L515-L596 HydrophobicContact CD2-CD1 4.34Å; L515-L596 HydrophobicContact CD2-CD2 4.25Å; L515-L671 HydrophobicContact CD1-CD1 3.75Å; L515-L671 HydrophobicContact CD2-CD1 3.84Å; L515-L671 HydrophobicContact CG-CD1 4.38Å; L515-Y673 HydrophobicContact CD2-CE2 3.77Å
516I96.2Very high81.7Confident87 Ų8777.8 Ų77.845%0.44641%0.41SS..Hα-helixtrans-58.1-45175.4-63.8175.1000110S514 S520 Y601S514-I516 PolarHBondContact O-N 2.78Å; I516-S520 WeakPolarHBondContact O-CB 3.39Å; I516-S520 PolarHBondContact O-N 3.38Å; I516-S520 PolarHBondContact O-OG 3.42Å; I516-Y601 WeakPolarHBondContact CG2-OH 3.41Å; I516-Y601 PolarHBondContact O-OH 3.23Å
517E95.4Very high83.8Confident47 Ų4776.9 Ų76.922%0.2240%0.403CS..Hα-helixtrans-63.2-47.3174.8168.9169.8-142.800112P494 R496 S514 L515 L519 S520 K521P494-E517 HydrophobicContact CG-CG 4.07Å; R496-E517 IonicContact CZ-OE1 3.68Å; R496-E517 IonicContact CZ-OE2 2.65Å; R496-E517 IonicContact NH1-OE1 3.71Å; R496-E517 PolarHBondContact NH1-OE1 3.39Å; R496-E517 IonicContact NH1-OE2 2.7Å; R496-E517 IonicContact NH2-OE1 2.74Å; R496-E517 PolarHBondContact NH2-OE1 3.31Å; R496-E517 IonicContact NH2-OE2 3.18Å; R496-E517 PolarHBondContact NH2-OE2 3.04Å; S514-E517 WeakPolarHBondContact O-CB 3.49Å; S514-E517 PolarHBondContact O-N 2.79Å; S514-E517 WeakPolarHBondContact OG-CB 3.42Å; S514-E517 PolarHBondContact OG-N 3.05Å; S514-E517 VanDerWaalsContact OG-N 3.12Å; L515-E517 VanDerWaalsContact C-N 3.31Å; L515-E517 PolarHBondContact O-N 3.33Å; E517-L519 VanDerWaalsContact C-N 3.28Å; E517-L519 PolarHBondContact O-N 2.86Å; E517-S520 WeakPolarHBondContact O-CB 3.38Å; E517-S520 PolarHBondContact O-N 2.94Å; E517-S520 VanDerWaalsContact O-N 3.11Å; E517-K521 PolarHBondContact O-N 3.41Å
518M96.9Very high86.2Confident0 Ų073 Ų730%038%0.377CS..Hα-helixtrans-62.2-37.1-178.5-65.8-176.777.200111.9L491 E492 F493 S514 L515 F522 L572 V590L491-M518 HydrophobicContact CB-CB 4.2Å; L491-M518 HydrophobicContact CB-CE 3.93Å; L491-M518 HydrophobicContact CD1-CB 4.01Å; E492-M518 WeakPolarHBondContact O-CE 3.36Å; F493-M518 HydrophobicContact CD1-CE 4.16Å; F493-M518 HydrophobicContact CD2-CE 3.79Å; F493-M518 HydrophobicContact CE1-CE 4.22Å; F493-M518 HydrophobicContact CE1-SD 4.34Å; F493-M518 HydrophobicContact CE2-CE 3.83Å; F493-M518 HydrophobicContact CG-CE 3.96Å; F493-M518 HydrophobicContact CZ-CE 4.04Å; F493-M518 HydrophobicContact CZ-SD 4.48Å; S514-M518 PolarHBondContact O-N 3.4Å; S514-M518 VanDerWaalsContact O-N 3.09Å; L515-M518 PolarHBondContact O-N 3.17Å; M518-F522 WeakPolarHBondContact O-CB 3.41Å; M518-F522 PolarHBondContact O-N 2.94Å; M518-L572 HydrophobicContact CE-CB 4.42Å; M518-L572 HydrophobicContact CE-CD2 4.01Å; M518-L572 HydrophobicContact SD-CD2 4.04Å; M518-V590 HydrophobicContact SD-CB 4.48Å; M518-V590 HydrophobicContact SD-CG1 3.76Å; M518-V590 HydrophobicContact SD-CG2 3.87Å
519L97.2Very high87.8Confident1 Ų175.8 Ų75.81%0.00537%0.373CS..Hα-helixtrans-66.8-42.9171.8-72.1166.7000112L491 L515 E517 K521 F522 T523 L570 L596 I598 Y601L491-L519 HydrophobicContact CD1-CD2 3.97Å; L491-L519 HydrophobicContact CD1-CG 4.1Å; L491-L519 HydrophobicContact CD2-CD2 4.01Å; L515-L519 HydrophobicContact CG-CD1 4.14Å; L515-L519 WeakPolarHBondContact O-CB 3.34Å; L515-L519 WeakPolarHBondContact O-CG 3.23Å; L515-L519 PolarHBondContact O-N 3.43Å; E517-L519 VanDerWaalsContact C-N 3.28Å; E517-L519 PolarHBondContact O-N 2.86Å; L519-K521 VanDerWaalsContact C-N 3.32Å; L519-K521 PolarHBondContact O-N 2.76Å; L519-F522 WeakPolarHBondContact O-CB 3.46Å; L519-F522 PolarHBondContact O-N 3Å; L519-F522 VanDerWaalsContact O-N 3.17Å; L519-T523 PolarHBondContact O-N 3.26Å; L519-T523 PolarHBondContact O-OG1 2.93Å; L519-L570 HydrophobicContact CD1-CD1 4.47Å; L519-L570 HydrophobicContact CD2-CD1 4.45Å; L519-L570 HydrophobicContact CD2-CD2 4.15Å; L519-L596 HydrophobicContact CD1-CD1 3.92Å; L519-L596 HydrophobicContact CD1-CD2 4.22Å; L519-I598 HydrophobicContact CD1-CD1 4.18Å; L519-I598 HydrophobicContact CD2-CD1 4.31Å; L519-Y601 HydrophobicContact CB-CD1 4Å; L519-Y601 HydrophobicContact CB-CD2 4.25Å; L519-Y601 HydrophobicContact CB-CE1 3.64Å; L519-Y601 HydrophobicContact CB-CE2 3.9Å; L519-Y601 HydrophobicContact CB-CG 4.29Å; L519-Y601 HydrophobicContact CD1-CD2 4.35Å; L519-Y601 HydrophobicContact CD1-CE2 3.9Å; L519-Y601 HydrophobicContact CG-CE2 4.5Å
520S95.8Very high89.5Confident56 Ų5669 Ų6939%0.39237%0.365SS..Hα-helixtrans-60.6-41.8176.8-59.30000111.7I516 E517 T523 E524I516-S520 WeakPolarHBondContact O-CB 3.39Å; I516-S520 PolarHBondContact O-N 3.38Å; I516-S520 PolarHBondContact O-OG 3.42Å; E517-S520 WeakPolarHBondContact O-CB 3.38Å; E517-S520 PolarHBondContact O-N 2.94Å; E517-S520 VanDerWaalsContact O-N 3.11Å; S520-T523 CarbonylContact O-C 3.41Å; S520-T523 PolarHBondContact O-N 2.95Å; S520-T523 PolarHBondContact O-OG1 2.77Å; S520-E524 PolarHBondContact O-N 3.04Å
521K95.3Very high90.7Very high106 Ų10663.8 Ų63.846%0.46134%0.344SS..Hα-helixtrans-66.9-38.1174.8-176.651.2173.3167.10112.1E517 L519 T523 E524E517-K521 PolarHBondContact O-N 3.41Å; L519-K521 VanDerWaalsContact C-N 3.32Å; L519-K521 PolarHBondContact O-N 2.76Å; K521-T523 VanDerWaalsContact C-N 3.32Å; K521-T523 PolarHBondContact O-N 3.48Å; K521-E524 HydrophobicContact CD-CB 4.49Å; K521-E524 WeakPolarHBondContact CD-OE2 3.21Å; K521-E524 WeakPolarHBondContact CE-OE2 3.35Å; K521-E524 IonicContact NZ-OE2 2.77Å; K521-E524 PolarHBondContact NZ-OE2 3.36Å; K521-E524 WeakPolarHBondContact O-CB 3.47Å; K521-E524 PolarHBondContact O-N 3.49Å
522F96.4Very high91.9Very high44 Ų4460.6 Ų60.619%0.19334%0.339CS..Hα-helixtrans-64.2-34.5176.3179.7-90.6000112.9L467 L489 L491 M518 L519 L559L467-F522 HydrophobicContact CD1-CE1 4.44Å; L467-F522 HydrophobicContact CD1-CZ 3.95Å; L467-F522 HydrophobicContact CD2-CE1 3.91Å; L467-F522 HydrophobicContact CD2-CZ 4.24Å; L489-F522 HydrophobicContact CD2-CE1 4.03Å; L489-F522 HydrophobicContact CD2-CZ 3.88Å; L491-F522 HydrophobicContact CD2-CB 3.84Å; L491-F522 HydrophobicContact CD2-CD2 3.95Å; L491-F522 HydrophobicContact CD2-CG 3.87Å; M518-F522 WeakPolarHBondContact O-CB 3.41Å; M518-F522 PolarHBondContact O-N 2.94Å; L519-F522 WeakPolarHBondContact O-CB 3.46Å; L519-F522 PolarHBondContact O-N 3Å; L519-F522 VanDerWaalsContact O-N 3.17Å; F522-L559 HydrophobicContact CE1-CB 4.42Å; F522-L559 HydrophobicContact CE2-CD1 4.42Å; F522-L559 HydrophobicContact CZ-CD1 4.15Å
523T96.3Very high92.4Very high13 Ų1357.9 Ų57.98%0.0831%0.314CS..THydrogen-bonded Turntrans-98.913176.2620000114.5L519 S520 K521 Q558 L559 Y601L519-T523 PolarHBondContact O-N 3.26Å; L519-T523 PolarHBondContact O-OG1 2.93Å; S520-T523 CarbonylContact O-C 3.41Å; S520-T523 PolarHBondContact O-N 2.95Å; S520-T523 PolarHBondContact O-OG1 2.77Å; K521-T523 VanDerWaalsContact C-N 3.32Å; K521-T523 PolarHBondContact O-N 3.48Å; T523-Q558 WeakPolarHBondContact O-CG 2.98Å; T523-Q558 PolarHBondContact O-NE2 3.2Å; T523-L559 VanDerWaalsContact CA-O 3.28Å; T523-L559 WeakPolarHBondContact CA-O 3.31Å; T523-L559 VanDerWaalsContact CB-O 3.27Å; T523-L559 WeakPolarHBondContact CB-O 3.47Å; T523-L559 WeakPolarHBondContact CG2-O 3.49Å; T523-Y601 HydrophobicContact CG2-CD1 4.19Å; T523-Y601 HydrophobicContact CG2-CG 4.47Å; T523-Y601 WeakPolarHBondContact OG1-CD1 3.39Å
524E95.5Very high92.3Very high105 Ų10559.4 Ų59.449%0.49133%0.327SS..  trans-65.9150.3177.9-170.3171.8-14700110.6S520 K521 E526S520-E524 PolarHBondContact O-N 3.04Å; K521-E524 HydrophobicContact CD-CB 4.49Å; K521-E524 WeakPolarHBondContact CD-OE2 3.21Å; K521-E524 WeakPolarHBondContact CE-OE2 3.35Å; K521-E524 IonicContact NZ-OE2 2.77Å; K521-E524 PolarHBondContact NZ-OE2 3.36Å; K521-E524 WeakPolarHBondContact O-CB 3.47Å; K521-E524 PolarHBondContact O-N 3.49Å; E524-E526 PolarHBondContact O-N 3.2Å
525M94.9Very high92.1Very high82 Ų8257.8 Ų57.840%0.40432%0.315SS..EExtended strand (participates in β ladder)trans-84.9107.4175.1-175.1176.1-64.300109.9R556 K557 Q558M525-R556 HydrophobicContact CG-CB 3.81Å; M525-R556 HydrophobicContact CG-CG 4.41Å; M525-R556 HydrophobicContact SD-CB 3.85Å; M525-R556 VanDerWaalsContact SD-CD 3.54Å; M525-R556 HydrophobicContact SD-CG 4.3Å; M525-K557 CarbonylContact C-O 3.54Å; M525-K557 WeakPolarHBondContact CA-O 3.45Å; M525-Q558 HydrophobicContact CB-CB 4.44Å; M525-Q558 HydrophobicContact CB-CG 4.45Å; M525-Q558 HydrophobicContact CG-CB 4.48Å
526E94Very high91.7Very high91 Ų9161.7 Ų61.743%0.42534%0.336SS..EExtended strand (participates in β ladder)trans-88.9151.2177.767.3-173.8165.600112E524 R556 K557E524-E526 PolarHBondContact O-N 3.2Å; E526-R556 CarbonylContact O-C 3.54Å; E526-R556 VanDerWaalsContact O-CA 3.27Å; E526-R556 WeakPolarHBondContact O-CA 3.27Å; E526-K557 HydrophobicContact CG-CB 3.86Å; E526-K557 HydrophobicContact CG-CG 4.35Å; E526-K557 PolarHBondContact N-O 3.36Å; E526-K557 PolarHBondContact O-N 3.12Å; E526-K557 VanDerWaalsContact OE1-CD 3.32Å; E526-K557 WeakPolarHBondContact OE1-CD 3.4Å; E526-K557 WeakPolarHBondContact OE1-CE 3.35Å; E526-K557 WeakPolarHBondContact OE1-CG 3.29Å; E526-K557 IonicContact OE1-NZ 2.6Å; E526-K557 PolarHBondContact OE1-NZ 3.13Å
527A92.6Very high91.3Very high61 Ų6162.6 Ų62.650%0.50434%0.338SS..EExtended strand (participates in β ladder)trans-88.9133.6172.100000110.5E529A527-E529 HydrophobicContact CB-CG 4.22Å; A527-E529 PolarHBondContact O-N 3.32Å
528L90.6Very high90.9Very high36 Ų3662.3 Ų62.319%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-8982.1168.5-61.3-175.9000108.3V471 I532 A555 K557V471-L528 HydrophobicContact CG1-CD1 4.15Å; L528-I532 HydrophobicContact CB-CD1 4.22Å; L528-I532 HydrophobicContact CB-CG1 4.19Å; L528-A555 HydrophobicContact CB-CB 4.44Å; L528-A555 WeakPolarHBondContact CB-O 3.33Å; L528-A555 HydrophobicContact CD1-CB 4.18Å; L528-A555 PolarHBondContact N-O 3.43Å; L528-K557 HydrophobicContact CD1-CB 4.17Å; L528-K557 HydrophobicContact CD2-CB 4.12Å; L528-K557 HydrophobicContact CD2-CD 4.44Å; L528-K557 HydrophobicContact CG-CB 4.08Å
529E80.6Confident90.5Very high158 Ų15862.3 Ų62.374%0.73834%0.341SS*.EExtended strand (participates in β ladder)trans-63.1154.8-177.4-62.8-176.1177.100112.6A527A527-E529 HydrophobicContact CB-CG 4.22Å; A527-E529 PolarHBondContact O-N 3.32Å
530G78.6Confident89.9Confident62 Ų6269.2 Ų69.264%0.63937%0.371SS*.EExtended strand (participates in β ladder)trans84.124.1170.400000116.6I532G530-I532 PolarHBondContact O-N 3.07Å
531N82.2Confident88.6Confident79 Ų7977.4 Ų77.442%0.42239%0.393SS..EExtended strand (participates in β ladder)trans49.251.9179.2-81.5-60.6000112.9L552 S553 E554N531-L552 WeakPolarHBondContact O-CB 3.48Å; N531-L552 VanDerWaalsContact O-CD1 3.25Å; N531-L552 WeakPolarHBondContact O-CD1 3.34Å; N531-S553 WeakPolarHBondContact OD1-CA 3.27Å; N531-E554 WeakPolarHBondContact OD1-CG 3.38Å; N531-E554 PolarHBondContact OD1-N 2.97Å
532I88Confident87.5Confident109 Ų10977.3 Ų77.356%0.55939%0.39SS*.EExtended strand (participates in β ladder)trans-95.1-13.3-176.260.9174.9000114.3L528 G530L528-I532 HydrophobicContact CB-CD1 4.22Å; L528-I532 HydrophobicContact CB-CG1 4.19Å; G530-I532 PolarHBondContact O-N 3.07Å
533Y89.6Confident86.2Confident40 Ų4082 Ų8216%0.15741%0.406CS..EExtended strand (participates in β ladder)trans-95112.2-170.5176.5-108.1000113.4V471 C473 S480 C535 S553 A555V471-Y533 HydrophobicContact CB-CE2 4.42Å; V471-Y533 HydrophobicContact CG1-CD1 4.26Å; V471-Y533 HydrophobicContact CG1-CD2 3.88Å; V471-Y533 HydrophobicContact CG1-CE1 4.11Å; V471-Y533 HydrophobicContact CG1-CE2 3.72Å; V471-Y533 HydrophobicContact CG1-CG 4.15Å; C473-Y533 HydrophobicContact CB-CD1 4.45Å; C473-Y533 HydrophobicContact CB-CE1 4.04Å; S480-Y533 PolarHBondContact OG-OH 3.24Å; Y533-C535 HydrophobicContact CD1-CB 3.98Å; Y533-C535 VanDerWaalsContact CE1-CA 3.48Å; Y533-C535 HydrophobicContact CE1-CB 3.5Å; Y533-C535 VanDerWaalsContact CE1-CB 3.5Å; Y533-C535 PolarHBondContact O-N 3.44Å; Y533-C535 VanDerWaalsContact O-N 3.09Å; Y533-S553 WeakPolarHBondContact CB-O 3.4Å; Y533-S553 PolarHBondContact N-O 2.89Å; Y533-S553 VanDerWaalsContact N-O 3.1Å; Y533-S553 PolarHBondContact O-N 3.38Å; Y533-S553 PolarHBondContact O-OG 3.38Å; Y533-A555 HydrophobicContact CD1-CB 3.67Å; Y533-A555 HydrophobicContact CE1-CB 4.46Å; Y533-A555 HydrophobicContact CG-CB 3.83Å
534A90.4Very high84.8Confident33 Ų3390.4 Ų90.427%0.27344%0.442SS..  trans-80.378.2176.500000112.4N536 L552A534-N536 PolarHBondContact O-N 2.94Å; A534-L552 HydrophobicContact CB-CD2 3.68Å
535C89.9Confident83.4Confident0 Ų087.7 Ų87.70%044%0.435CS..  trans-57.5124.5-176.4-1760000113.1C473 C476 Y533 H537 C538 N539C473-C535 HydrophobicContact CB-CB 4.16Å; C476-C535 VanDerWaalsContact SG-SG 3.68Å; Y533-C535 HydrophobicContact CD1-CB 3.98Å; Y533-C535 VanDerWaalsContact CE1-CA 3.48Å; Y533-C535 HydrophobicContact CE1-CB 3.5Å; Y533-C535 VanDerWaalsContact CE1-CB 3.5Å; Y533-C535 PolarHBondContact O-N 3.44Å; Y533-C535 VanDerWaalsContact O-N 3.09Å; C535-H537 VanDerWaalsContact C-N 3.27Å; C535-H537 PolarHBondContact O-N 2.66Å; C535-H537 PolarHBondContact SG-N 3.42Å; C535-C538 HydrophobicContact CB-CB 4.05Å; C535-C538 PolarHBondContact O-N 3.37Å; C535-N539 WeakPolarHBondContact O-CB 3.39Å; C535-N539 PolarHBondContact O-N 3.49Å; C535-N539 PolarHBondContact O-ND2 2.96Å
536N88.4Confident82Confident86 Ų8688.9 Ų88.946%0.4645%0.451SS..Hα-helixtrans-60.4-34.2177.8-78.5-35.8000112.7A534 K540 R543A534-N536 PolarHBondContact O-N 2.94Å; N536-K540 WeakPolarHBondContact O-CB 3.4Å; N536-K540 PolarHBondContact O-N 3.19Å; N536-R543 PolarHBondContact OD1-NH1 3.12Å; N536-R543 PolarHBondContact OD1-NH2 2.62Å
537H88.7Confident80.9Confident106 Ų10692.5 Ų92.549%0.49147%0.467SS..Hα-helixtrans-70.7-51.7179.6-167.5-103.3000111.6H478 C535 N539 K540H478-H537 HydrophobicContact CB-CB 4.15Å; C535-H537 VanDerWaalsContact C-N 3.27Å; C535-H537 PolarHBondContact O-N 2.66Å; C535-H537 PolarHBondContact SG-N 3.42Å; H537-N539 VanDerWaalsContact C-N 3.25Å; H537-N539 PolarHBondContact O-N 2.91Å; H537-K540 WeakPolarHBondContact O-CB 3.48Å; H537-K540 PolarHBondContact O-N 3.3Å
538C87.9Confident80Confident41 Ų4195.6 Ų95.628%0.27747%0.469SS..Hα-helixtrans-57.8-36.7175.9-62.30000112.8C535C535-C538 HydrophobicContact CB-CB 4.05Å; C535-C538 PolarHBondContact O-N 3.37Å
539N87.4Confident79.5Confident0 Ų098.9 Ų98.90%049%0.493CS..Hα-helixtrans-91-3.9-178-69-73.5000114.4C535 H537 R541 R542 R543 L550 V551C535-N539 WeakPolarHBondContact O-CB 3.39Å; C535-N539 PolarHBondContact O-N 3.49Å; C535-N539 PolarHBondContact O-ND2 2.96Å; H537-N539 VanDerWaalsContact C-N 3.25Å; H537-N539 PolarHBondContact O-N 2.91Å; N539-R541 VanDerWaalsContact C-N 3.29Å; N539-R541 PolarHBondContact O-N 2.98Å; N539-R542 PolarHBondContact O-N 3.29Å; N539-R543 PolarHBondContact O-N 3.5Å; N539-L550 HydrophobicContact CB-CD2 4.11Å; N539-V551 PolarHBondContact ND2-O 3.42Å; N539-V551 PolarHBondContact OD1-N 3.05Å
540K83.8Confident79.6Confident145 Ų14595.9 Ų95.963%0.6348%0.481SS*.THydrogen-bonded Turntrans-56.4-38.3-175.9-169.2174.3-177.81780113.6N536 H537N536-K540 WeakPolarHBondContact O-CB 3.4Å; N536-K540 PolarHBondContact O-N 3.19Å; H537-K540 WeakPolarHBondContact O-CB 3.48Å; H537-K540 PolarHBondContact O-N 3.3Å
541R70.1Confident80Confident229 Ų22995.4 Ų95.486%0.86447%0.466SS*.THydrogen-bonded Turntrans-83.1-30175.2-67.9-174.8179.1-178.8-0.4112.8N539N539-R541 VanDerWaalsContact C-N 3.29Å; N539-R541 PolarHBondContact O-N 2.98Å
542R72.1Confident80.4Confident104 Ų10495.7 Ų95.739%0.39247%0.467SS..G310 helixtrans-71.6-42.4-179.2-66.7-179.8178.5-109-1.2111.9N539 K544 S545N539-R542 PolarHBondContact O-N 3.29Å; R542-K544 PolarHBondContact O-N 2.99Å; R542-S545 CarbonylContact O-C 3.44Å; R542-S545 PolarHBondContact O-N 3.23Å
543R67.7Low80.3Confident142 Ų14290.6 Ų90.654%0.53644%0.441SS..G310 helixtrans-60.7-16.5176.1-70.9-174.4-175.6151.16.7114.8N536 N539 S545 L550N536-R543 PolarHBondContact OD1-NH1 3.12Å; N536-R543 PolarHBondContact OD1-NH2 2.62Å; N539-R543 PolarHBondContact O-N 3.5Å; R543-S545 VanDerWaalsContact C-N 3.31Å; R543-L550 HydrophobicContact CG-CD2 4.27Å
544K68.1Low80.5Confident189 Ų18993.3 Ų93.382%0.82246%0.455SS*.G310 helixtrans-81.6-6.8173.1-66.1-167.5174-1640113.8R542R542-K544 PolarHBondContact O-N 2.99Å
545S65.8Low80.7Confident49 Ų4991.8 Ų91.834%0.34344%0.443SS..SBendtrans-125.5104.2178.9-179.30000108R542 R543 H547 K548R542-S545 CarbonylContact O-C 3.44Å; R542-S545 PolarHBondContact O-N 3.23Å; R543-S545 VanDerWaalsContact C-N 3.31Å; S545-H547 PolarHBondContact O-N 3.08Å; S545-K548 PolarHBondContact O-N 2.7Å
546S65.1Low80.9Confident106 Ų10697.9 Ų97.974%0.74147%0.465SS*.THydrogen-bonded Turntrans-52.6-24.1-170.643.60000115.3
547H71.6Confident81.3Confident167 Ų16796.3 Ų96.377%0.77346%0.455SS*.THydrogen-bonded Turntrans-97-1.2-171.7-58.6-77.3000114.9S545S545-H547 PolarHBondContact O-N 3.08Å
548K73.4Confident81.6Confident127 Ų12793.3 Ų93.355%0.55244%0.441SS*.SBendtrans-97.1122-177.8-68-171.6179.8-177.60111.5S545S545-K548 PolarHBondContact O-N 2.7Å
549P79.7Confident82Confident104 Ų10493 Ų9368%0.67544%0.436SS*.PPolyproline II helixtrans-61.5150.9177.525.4-33.7000111.4V551P549-V551 PolarHBondContact O-N 3.23Å
550L83.9Confident82.4Confident96 Ų9694.1 Ų94.150%0.50344%0.442SS..PPolyproline II helixtrans-62.8132.9175.4-69175000109.8N539 R543N539-L550 HydrophobicContact CB-CD2 4.11Å; R543-L550 HydrophobicContact CG-CD2 4.27Å
551V85.8Confident82.9Confident52 Ų5287.2 Ų87.232%0.31541%0.412SS..PPolyproline II helixtrans-85.8118.6168.6174.30000107.7N539 P549N539-V551 PolarHBondContact ND2-O 3.42Å; N539-V551 PolarHBondContact OD1-N 3.05Å; P549-V551 PolarHBondContact O-N 3.23Å
552L90.4Very high84Confident84 Ų8479.9 Ų79.944%0.4439%0.385SS..PPolyproline II helixtrans-85.9156.1167.4-49.3178.8000109.5N531 A534N531-L552 WeakPolarHBondContact O-CB 3.48Å; N531-L552 VanDerWaalsContact O-CD1 3.25Å; N531-L552 WeakPolarHBondContact O-CD1 3.34Å; A534-L552 HydrophobicContact CB-CD2 3.68Å
553S87.1Confident84.9Confident2 Ų281.3 Ų81.31%0.01439%0.39CS..EExtended strand (participates in β ladder)trans-141.4153.4-176.453.20000110C473 S475 N531 Y533C473-S553 PolarHBondContact SG-OG 3.01Å; S475-S553 WeakPolarHBondContact OG-CB 3.35Å; N531-S553 WeakPolarHBondContact OD1-CA 3.27Å; Y533-S553 WeakPolarHBondContact CB-O 3.4Å; Y533-S553 PolarHBondContact N-O 2.89Å; Y533-S553 VanDerWaalsContact N-O 3.1Å; Y533-S553 PolarHBondContact O-N 3.38Å; Y533-S553 PolarHBondContact O-OG 3.38Å
554E93.3Very high86Confident98 Ų9875.4 Ų75.446%0.45837%0.369SS..EExtended strand (participates in β ladder)trans-65.2147161.1-56.3-175.2148.700110.3L474 N531L474-E554 HydrophobicContact CB-CB 4.29Å; L474-E554 WeakPolarHBondContact CB-O 3.47Å; L474-E554 HydrophobicContact CD1-CB 3.87Å; L474-E554 HydrophobicContact CG-CB 4.34Å; L474-E554 PolarHBondContact N-O 3.06Å; N531-E554 WeakPolarHBondContact OD1-CG 3.38Å; N531-E554 PolarHBondContact OD1-N 2.97Å
555A94.4Very high87.2Confident1 Ų166.4 Ų66.41%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-145.6161.8176.500000110.4V471 T472 L528 Y533V471-A555 HydrophobicContact CG1-CB 3.7Å; T472-A555 CarbonylContact O-C 3.53Å; T472-A555 VanDerWaalsContact O-CA 3.23Å; T472-A555 WeakPolarHBondContact O-CA 3.41Å; T472-A555 WeakPolarHBondContact O-CB 3.46Å; L528-A555 HydrophobicContact CB-CB 4.44Å; L528-A555 WeakPolarHBondContact CB-O 3.33Å; L528-A555 HydrophobicContact CD1-CB 4.18Å; L528-A555 PolarHBondContact N-O 3.43Å; Y533-A555 HydrophobicContact CD1-CB 3.67Å; Y533-A555 HydrophobicContact CE1-CB 4.46Å; Y533-A555 HydrophobicContact CG-CB 3.83Å
556R95.3Very high88.5Confident127 Ų12765.9 Ų65.948%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-110.9136.8166.7-69.1179-173.9-179.4-2.4109.2V471 T472 L474 M525 E526V471-R556 CarbonylContact C-O 3.58Å; V471-R556 WeakPolarHBondContact CA-O 3.28Å; T472-R556 PolarHBondContact N-O 2.67Å; T472-R556 PolarHBondContact O-N 2.94Å; L474-R556 HydrophobicContact CD2-CG 4.06Å; M525-R556 HydrophobicContact CG-CB 3.81Å; M525-R556 HydrophobicContact CG-CG 4.41Å; M525-R556 HydrophobicContact SD-CB 3.85Å; M525-R556 VanDerWaalsContact SD-CD 3.54Å; M525-R556 HydrophobicContact SD-CG 4.3Å; E526-R556 CarbonylContact O-C 3.54Å; E526-R556 VanDerWaalsContact O-CA 3.27Å; E526-R556 WeakPolarHBondContact O-CA 3.27Å
557K95.2Very high89.9Confident54 Ų5461.1 Ų61.124%0.23529%0.289CS..EExtended strand (participates in β ladder)trans-110.5144.9176.5173167.5161.2-91.30109.1Q470 V471 M525 E526 L528Q470-K557 CarbonylContact O-C 3.49Å; Q470-K557 WeakPolarHBondContact O-CA 3.09Å; V471-K557 HydrophobicContact CG2-CB 4.36Å; V471-K557 HydrophobicContact CG2-CD 4.48Å; V471-K557 HydrophobicContact CG2-CG 4.36Å; M525-K557 CarbonylContact C-O 3.54Å; M525-K557 WeakPolarHBondContact CA-O 3.45Å; E526-K557 HydrophobicContact CG-CB 3.86Å; E526-K557 HydrophobicContact CG-CG 4.35Å; E526-K557 PolarHBondContact N-O 3.36Å; E526-K557 PolarHBondContact O-N 3.12Å; E526-K557 VanDerWaalsContact OE1-CD 3.32Å; E526-K557 WeakPolarHBondContact OE1-CD 3.4Å; E526-K557 WeakPolarHBondContact OE1-CE 3.35Å; E526-K557 WeakPolarHBondContact OE1-CG 3.29Å; E526-K557 IonicContact OE1-NZ 2.6Å; E526-K557 PolarHBondContact OE1-NZ 3.13Å; L528-K557 HydrophobicContact CD1-CB 4.17Å; L528-K557 HydrophobicContact CD2-CB 4.12Å; L528-K557 HydrophobicContact CD2-CD 4.44Å; L528-K557 HydrophobicContact CG-CB 4.08Å
558Q96.1Very high91.1Very high42 Ų4253.2 Ų53.220%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-143.4138.8173.3-168.4176.515.900109.2Q470 T523 M525 L560Q470-Q558 PolarHBondContact N-O 3.01Å; Q470-Q558 PolarHBondContact O-N 2.7Å; T523-Q558 WeakPolarHBondContact O-CG 2.98Å; T523-Q558 PolarHBondContact O-NE2 3.2Å; M525-Q558 HydrophobicContact CB-CB 4.44Å; M525-Q558 HydrophobicContact CB-CG 4.45Å; M525-Q558 HydrophobicContact CG-CB 4.48Å; Q558-L560 HydrophobicContact CG-CD2 4.46Å; Q558-L560 HydrophobicContact CG-CG 4.28Å
559L96.3Very high92.3Very high35 Ų3547.2 Ų47.218%0.18323%0.226CC..EExtended strand (participates in β ladder)trans-98.9133.5169.2-61.5178.5000109.2L468 F522 T523L468-L559 WeakPolarHBondContact O-CA 3.42Å; F522-L559 HydrophobicContact CE1-CB 4.42Å; F522-L559 HydrophobicContact CE2-CD1 4.42Å; F522-L559 HydrophobicContact CZ-CD1 4.15Å; T523-L559 VanDerWaalsContact CA-O 3.28Å; T523-L559 WeakPolarHBondContact CA-O 3.31Å; T523-L559 VanDerWaalsContact CB-O 3.27Å; T523-L559 WeakPolarHBondContact CB-O 3.47Å; T523-L559 WeakPolarHBondContact CG2-O 3.49Å
560L95.3Very high93.1Very high23 Ų2342.3 Ų42.312%0.1219%0.194CC..EExtended strand (participates in β ladder)trans-135.3155.2175.5-67.3170.3000109.6L467 L468 Q558 Y562 C603L467-L560 CarbonylContact C-O 3.55Å; L467-L560 WeakPolarHBondContact CA-O 3.47Å; L468-L560 HydrophobicContact CB-CB 4.38Å; L468-L560 PolarHBondContact N-O 2.71Å; L468-L560 PolarHBondContact O-N 2.99Å; Q558-L560 HydrophobicContact CG-CD2 4.46Å; Q558-L560 HydrophobicContact CG-CG 4.28Å; L560-Y562 PolarHBondContact O-N 2.88Å; L560-C603 HydrophobicContact CB-CB 4.27Å; L560-C603 HydrophobicContact CD1-CB 4.19Å
561I94.6Very high93.8Very high1 Ų138.5 Ų38.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-81.5116.1174.4-59.2169.1000108.9L467 F486 L489 L564 I598 Y601 C602 C603L467-I561 HydrophobicContact CD2-CG1 4.18Å; F486-I561 HydrophobicContact CE1-CG2 4.38Å; L489-I561 HydrophobicContact CD1-CD1 3.94Å; L489-I561 HydrophobicContact CD1-CG1 4.41Å; I561-L564 HydrophobicContact CG2-CD2 3.73Å; I561-L564 HydrophobicContact CG2-CG 4.08Å; I561-I598 HydrophobicContact CD1-CD1 4.01Å; I561-I598 HydrophobicContact CD1-CG1 3.63Å; I561-Y601 PolarHBondContact N-O 3.21Å; I561-C602 VanDerWaalsContact O-CA 3.27Å; I561-C602 WeakPolarHBondContact O-CA 3.43Å; I561-C603 PolarHBondContact O-N 3.41Å
562Y92.4Very high94.4Very high75 Ų7536 Ų3629%0.29416%0.159SC..EExtended strand (participates in β ladder)trans-89.2-42.5178.2-175.7-106000112.7Q466 V483 L560 H611Q466-Y562 HydrophobicContact CB-CD1 4.2Å; Q466-Y562 WeakPolarHBondContact O-CA 3.48Å; Q466-Y562 WeakPolarHBondContact O-CB 3.4Å; Q466-Y562 PolarHBondContact O-N 2.94Å; V483-Y562 HydrophobicContact CG1-CD1 3.83Å; V483-Y562 HydrophobicContact CG1-CE1 4.37Å; V483-Y562 HydrophobicContact CG1-CG 4.35Å; V483-Y562 HydrophobicContact CG2-CD1 4.39Å; V483-Y562 HydrophobicContact CG2-CG 4.45Å; L560-Y562 PolarHBondContact O-N 2.88Å; Y562-H611 PolarHBondContact O-CE1 2.71Å
563R91.3Very high94.6Very high134 Ų13435.7 Ų35.751%0.50615%0.154SC..EExtended strand (participates in β ladder)trans-132.8129.7177.1-173.6176.1172.2164.4-3.5109.7G465 Q466G465-R563 CarbonylContact C-O 3.52Å; G465-R563 WeakPolarHBondContact CA-O 3.48Å; Q466-R563 HydrophobicContact CB-CB 3.75Å; Q466-R563 HydrophobicContact CG-CB 3.89Å; Q466-R563 PolarHBondContact N-O 2.8Å; Q466-R563 PolarHBondContact O-N 3.42Å
564L92.1Very high94.8Very high17 Ų1735.7 Ų35.79%0.08915%0.153CC..  trans-86.5131.2-178.9-81171.4000111.3I561 I598 Y615 Y617I561-L564 HydrophobicContact CG2-CD2 3.73Å; I561-L564 HydrophobicContact CG2-CG 4.08Å; L564-I598 HydrophobicContact CD1-CG2 3.78Å; L564-I598 HydrophobicContact CD2-CB 4.47Å; L564-I598 HydrophobicContact CD2-CG1 4.2Å; L564-I598 HydrophobicContact CD2-CG2 3.52Å; L564-I598 HydrophobicContact CG-CG2 4.31Å; L564-Y615 HydrophobicContact CD1-CD1 4.05Å; L564-Y615 HydrophobicContact CD1-CE1 4.45Å; L564-Y617 WeakPolarHBondContact CB-OH 3.17Å; L564-Y617 HydrophobicContact CD1-CE2 4.45Å; L564-Y617 HydrophobicContact CD2-CE2 4.26Å
565P93.1Very high94.7Very high1 Ų133 Ų331%0.00614%0.14CC..  trans-75.4154.9167.632.6-33.7000110.3F486 V567 L568 Y617F486-P565 HydrophobicContact CE2-CG 4.24Å; F486-P565 HydrophobicContact CZ-CG 4.23Å; P565-V567 VanDerWaalsContact C-N 3.33Å; P565-L568 HydrophobicContact CG-CB 4.21Å; P565-L568 HydrophobicContact CG-CD1 3.97Å; P565-Y617 WeakPolarHBondContact O-CE1 3.35Å; P565-Y617 PolarHBondContact O-OH 3.49Å
566Q92.4Very high94.3Very high38 Ų3836.1 Ų36.118%0.17815%0.152CC..SBendtrans-71.2-28.5174.9171.1174.487.300112.8K284 T461 I462 T674 Q675K284-Q566 VanDerWaalsContact CD-CD 3.48Å; K284-Q566 HydrophobicContact CD-CG 4.49Å; K284-Q566 VanDerWaalsContact NZ-NE2 3.15Å; T461-Q566 WeakPolarHBondContact O-CB 3.42Å; T461-Q566 PolarHBondContact O-N 2.76Å; I462-Q566 PolarHBondContact O-N 2.89Å; Q566-T674 WeakPolarHBondContact O-CA 3.46Å; Q566-Q675 PolarHBondContact O-N 3.21Å
567V95.4Very high93.8Very high6 Ų637 Ų374%0.03616%0.155CC..EExtended strand (participates in β ladder)trans-119.6104.2168.11790000108.3L282 I462 F463 P565 R569 F672 Y673 T674L282-V567 HydrophobicContact CD1-CG1 4.14Å; L282-V567 HydrophobicContact CD2-CG1 4.04Å; L282-V567 HydrophobicContact CD2-CG2 4.25Å; I462-V567 HydrophobicContact CG2-CB 3.97Å; I462-V567 HydrophobicContact CG2-CG2 3.73Å; I462-V567 PolarHBondContact O-N 2.79Å; F463-V567 HydrophobicContact CD1-CB 4.13Å; F463-V567 HydrophobicContact CD1-CG1 4.3Å; F463-V567 HydrophobicContact CE1-CB 4.04Å; F463-V567 HydrophobicContact CE1-CG1 3.92Å; P565-V567 VanDerWaalsContact C-N 3.33Å; V567-R569 HydrophobicContact CG1-CG 4.46Å; V567-F672 HydrophobicContact CG1-CD1 4.25Å; V567-Y673 CarbonylContact C-O 3.59Å; V567-Y673 VanDerWaalsContact CA-O 3.28Å; V567-Y673 WeakPolarHBondContact CA-O 3.33Å; V567-T674 HydrophobicContact CG2-CG2 4.35Å
568L96.4Very high93Very high0 Ų036.1 Ų36.10%016%0.155CC..EExtended strand (participates in β ladder)trans-78.5122.9174.9-178.961.8000109.5F486 L489 P565 L570 L596 I598 Y617 Y673F486-L568 HydrophobicContact CE2-CD1 4.05Å; F486-L568 HydrophobicContact CZ-CD1 4.29Å; L489-L568 HydrophobicContact CD1-CD1 4.02Å; L489-L568 HydrophobicContact CG-CD1 4.31Å; P565-L568 HydrophobicContact CG-CB 4.21Å; P565-L568 HydrophobicContact CG-CD1 3.97Å; L568-L570 HydrophobicContact CD1-CD2 4.04Å; L568-L570 HydrophobicContact CD2-CD2 4.06Å; L568-L570 HydrophobicContact CG-CD2 3.82Å; L568-L570 HydrophobicContact CG-CG 4.23Å; L568-L596 HydrophobicContact CD2-CD2 4.31Å; L568-I598 HydrophobicContact CD2-CD1 3.61Å; L568-I598 HydrophobicContact CD2-CG1 4.04Å; L568-Y617 HydrophobicContact CB-CD1 3.97Å; L568-Y617 HydrophobicContact CB-CE1 3.74Å; L568-Y673 PolarHBondContact N-O 3.43Å; L568-Y673 PolarHBondContact O-N 2.83Å
569R97.2Very high92.1Very high2 Ų237.5 Ų37.51%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-107123.6176.8-63.1-174.7-66164-7.9109.8L422 F463 W487 D488 L489 V567 L671 F672L422-R569 VanDerWaalsContact CG-NH1 3.26Å; F463-R569 HydrophobicContact CD1-CG 4.3Å; W487-R569 VanDerWaalsContact CB-NH2 3.28Å; W487-R569 VanDerWaalsContact CE3-NH2 3.34Å; W487-R569 PolarHBondContact O-NE 2.92Å; W487-R569 PolarHBondContact O-NH2 3.35Å; D488-R569 WeakPolarHBondContact CA-O 3.37Å; D488-R569 HydrophobicContact CB-CB 4Å; L489-R569 PolarHBondContact N-O 2.97Å; V567-R569 HydrophobicContact CG1-CG 4.46Å; R569-L671 WeakPolarHBondContact CA-O 3.49Å; R569-F672 HydrophobicContact CG-CD1 3.74Å; R569-F672 HydrophobicContact CG-CE1 3.8Å
570L98.1Very high91.1Very high0 Ų047.5 Ų47.50%022%0.216CC..EExtended strand (participates in β ladder)trans-116.5109178.5-51.1176.4000108.1L489 L491 L515 L519 L568 L596 I670 L671 Y673L489-L570 HydrophobicContact CB-CD2 3.82Å; L489-L570 HydrophobicContact CD1-CD2 3.91Å; L489-L570 HydrophobicContact CG-CD2 4.21Å; L489-L570 WeakPolarHBondContact O-CA 3.24Å; L491-L570 HydrophobicContact CD1-CB 4.25Å; L515-L570 HydrophobicContact CD1-CD1 3.89Å; L515-L570 HydrophobicContact CD2-CD1 3.87Å; L515-L570 HydrophobicContact CG-CD1 4.21Å; L519-L570 HydrophobicContact CD1-CD1 4.47Å; L519-L570 HydrophobicContact CD2-CD1 4.45Å; L519-L570 HydrophobicContact CD2-CD2 4.15Å; L568-L570 HydrophobicContact CD1-CD2 4.04Å; L568-L570 HydrophobicContact CD2-CD2 4.06Å; L568-L570 HydrophobicContact CG-CD2 3.82Å; L568-L570 HydrophobicContact CG-CG 4.23Å; L570-L596 HydrophobicContact CD1-CD2 3.84Å; L570-I670 WeakPolarHBondContact O-CA 3.46Å; L570-L671 HydrophobicContact CB-CB 4.29Å; L570-L671 PolarHBondContact N-O 2.9Å; L570-L671 PolarHBondContact O-N 3.02Å; L570-Y673 HydrophobicContact CD1-CD2 4.02Å; L570-Y673 HydrophobicContact CD1-CE2 4.1Å
571H97.9Very high90Very high17 Ų1753.4 Ų53.48%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-91.7126.9174.4160.7-134.3000108.5Q419 L489 S490 L491 Y669Q419-H571 HydrophobicContact CG-CB 4.09Å; L489-H571 PolarHBondContact O-N 3.29Å; S490-H571 CarbonylContact C-O 3.45Å; S490-H571 WeakPolarHBondContact CA-O 3.33Å; S490-H571 PolarHBondContact OG-ND1 3.42Å; L491-H571 PolarHBondContact N-O 2.93Å; H571-Y669 AromaticContact CD2-CE2 3.58Å; H571-Y669 AromaticContact CD2-CZ 3.7Å; H571-Y669 AromaticContact NE2-CE2 3.35Å; H571-Y669 VanDerWaalsContact NE2-CE2 3.35Å; H571-Y669 WeakPolarHBondContact NE2-CE2 3.13Å; H571-Y669 AromaticContact NE2-CZ 3.44Å; H571-Y669 PolarHBondContact NE2-OH 2.8Å
572L97.3Very high89.2Confident0 Ų059 Ų590%027%0.274CS..EExtended strand (participates in β ladder)trans-93.3113176.5-51.1-170.9000108.1L491 F493 L515 M518 R574 V590 A668 Y669L491-L572 HydrophobicContact CB-CD2 4.22Å; L491-L572 HydrophobicContact CD1-CD2 4Å; L491-L572 HydrophobicContact CG-CD2 4.49Å; F493-L572 HydrophobicContact CE2-CB 4.15Å; F493-L572 HydrophobicContact CZ-CB 4.28Å; L515-L572 HydrophobicContact CD1-CD2 4.1Å; M518-L572 HydrophobicContact CE-CB 4.42Å; M518-L572 HydrophobicContact CE-CD2 4.01Å; M518-L572 HydrophobicContact SD-CD2 4.04Å; L572-R574 HydrophobicContact CB-CG 4.42Å; L572-R574 PolarHBondContact O-N 3.06Å; L572-V590 HydrophobicContact CD1-CB 4.01Å; L572-V590 HydrophobicContact CD1-CG1 4.15Å; L572-V590 HydrophobicContact CD1-CG2 4.03Å; L572-A668 HydrophobicContact CD1-CB 4.48Å; L572-Y669 PolarHBondContact N-O 3.32Å
573K94.8Very high88.7Confident76 Ų7660.2 Ų60.233%0.3328%0.278SS..  trans-67.970.9-177.5-66.4-169.9-166.5172.70112S490 L491 E492 F493S490-K573 VanDerWaalsContact O-CE 3.27Å; S490-K573 WeakPolarHBondContact O-CE 3.24Å; L491-K573 WeakPolarHBondContact O-CB 3.29Å; L491-K573 PolarHBondContact O-N 2.88Å; E492-K573 HydrophobicContact CG-CD 3.68Å; E492-K573 IonicContact OE1-NZ 3.72Å; E492-K573 PolarHBondContact OE1-NZ 3.03Å; F493-K573 WeakPolarHBondContact CD2-O 3.47Å
574R92.4Very high88.5Confident3 Ų356 Ų561%0.01126%0.264CS..  trans-72.9-26.1-175.9-73.1-172.4179-74.4-5.3113.2F493 L572 K585 I586 V588 A668 Y669F493-R574 HydrophobicContact CE2-CB 4.47Å; F493-R574 HydrophobicContact CE2-CG 3.78Å; F493-R574 HydrophobicContact CZ-CG 3.86Å; L572-R574 HydrophobicContact CB-CG 4.42Å; L572-R574 PolarHBondContact O-N 3.06Å; R574-K585 HydrophobicContact CB-CG 4.41Å; R574-K585 CarbonylContact O-C 3.56Å; R574-K585 WeakPolarHBondContact O-CA 3.42Å; R574-I586 PolarHBondContact NH1-O 2.99Å; R574-I586 PolarHBondContact O-N 3.38Å; R574-V588 PolarHBondContact NH1-O 3.33Å; R574-A668 PolarHBondContact NE-O 3.06Å; R574-A668 PolarHBondContact NH2-O 3.37Å; R574-Y669 HydrophobicContact CB-CD2 4.45Å; R574-Y669 HydrophobicContact CG-CD2 4.42Å
575F90.5Very high88.4Confident40 Ų4056.7 Ų56.718%0.17527%0.266CS..EExtended strand (participates in β ladder)trans-93.5128.1178.5-56.6-72.5000110.2E584 K585 H625 F630 Y669F575-E584 WeakPolarHBondContact CA-O 3.37Å; F575-K585 HydrophobicContact CD1-CB 4.05Å; F575-K585 HydrophobicContact CD1-CG 4.21Å; F575-K585 HydrophobicContact CE1-CB 4.15Å; F575-K585 HydrophobicContact CE1-CD 4.02Å; F575-K585 HydrophobicContact CE1-CG 4.06Å; F575-H625 AromaticContact CE1-CE1 3.88Å; F575-H625 AromaticContact CE1-ND1 3.87Å; F575-H625 AromaticContact CZ-CE1 3.45Å; F575-H625 VanDerWaalsContact CZ-CE1 3.45Å; F575-H625 WeakPolarHBondContact CZ-CE1 3.39Å; F575-H625 AromaticContact CZ-ND1 3.27Å; F575-H625 VanDerWaalsContact CZ-ND1 3.27Å; F575-H625 WeakPolarHBondContact CZ-ND1 3.31Å; F575-F630 HydrophobicContact CB-CD2 4.29Å; F575-F630 HydrophobicContact CD1-CB 4.2Å; F575-F630 HydrophobicContact CD1-CD2 4.13Å; F575-F630 HydrophobicContact CE1-CB 4.4Å; F575-F630 HydrophobicContact CG-CD2 4.09Å; F575-Y669 HydrophobicContact CD2-CE2 4.25Å; F575-Y669 HydrophobicContact CE2-CE2 4.07Å
576R86.8Confident88.2Confident67 Ų6757.1 Ų57.125%0.25327%0.269SS..EExtended strand (participates in β ladder)trans-137158.7177.173.4179-149.6114.75.4111.5H498 S578 R583 E584H498-R576 VanDerWaalsContact CB-CZ 3.48Å; H498-R576 PolarHBondContact O-NH2 3.46Å; R576-S578 PolarHBondContact NH2-OG 2.83Å; R576-R583 WeakPolarHBondContact O-CA 3.4Å; R576-E584 HydrophobicContact CG-CG 3.8Å; R576-E584 IonicContact CZ-OE1 3.49Å; R576-E584 PolarHBondContact N-O 3.22Å; R576-E584 IonicContact NE-OE1 3.02Å; R576-E584 PolarHBondContact NE-OE1 3.28Å; R576-E584 IonicContact NH2-OE1 3.75Å; R576-E584 PolarHBondContact NH2-OE1 2.92Å; R576-E584 PolarHBondContact O-N 3.28Å
577W83.7Confident88Confident147 Ų14757.5 Ų57.556%0.55728%0.282SS*.EExtended strand (participates in β ladder)trans-79.4142.5164.9-67.5100.1000110.4R583W577-R583 HydrophobicContact CD2-CG 3.85Å; W577-R583 HydrophobicContact CE3-CG 3.54Å; W577-R583 HydrophobicContact CH2-CG 4.18Å; W577-R583 HydrophobicContact CZ2-CG 4.42Å; W577-R583 HydrophobicContact CZ3-CG 3.71Å
578S79.3Confident87.8Confident34 Ų3459 Ų5924%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-137.5114.5-179-162.40000107.9R576 H582 E584R576-S578 PolarHBondContact NH2-OG 2.83Å; S578-H582 PolarHBondContact N-O 2.86Å; S578-H582 VanDerWaalsContact O-CB 3.28Å; S578-H582 WeakPolarHBondContact O-CB 3.33Å; S578-H582 PolarHBondContact O-N 2.99Å; S578-E584 VanDerWaalsContact CB-OE1 3.24Å; S578-E584 WeakPolarHBondContact CB-OE1 3.5Å; S578-E584 PolarHBondContact OG-OE1 3.23Å
579G77.6Confident87.6Confident71 Ų7162 Ų6273%0.73231%0.305SS*.THydrogen-bonded Turntrans60.1-159.3-171.800000114N581G579-N581 PolarHBondContact O-N 3.28Å
580R74.3Confident87.6Confident245 Ų24562 Ų6293%0.92531%0.305SS*.THydrogen-bonded Turntrans-74.2-17.8-167.4-76.5-174.2178.4171.50.7116.4
581N72.6Confident87.5Confident148 Ų14863.9 Ų63.979%0.79132%0.321SS*.THydrogen-bonded Turntrans-160.29.8-176.9-96.3-35.7000115.2G579G579-N581 PolarHBondContact O-N 3.28Å
582H77.6Confident87.5Confident117 Ų11763.3 Ų63.354%0.54232%0.318SS..EExtended strand (participates in β ladder)trans-98134178.9-169.363.3000110.4S578S578-H582 PolarHBondContact N-O 2.86Å; S578-H582 VanDerWaalsContact O-CB 3.28Å; S578-H582 WeakPolarHBondContact O-CB 3.33Å; S578-H582 PolarHBondContact O-N 2.99Å
583R83Confident87.4Confident102 Ų10268.1 Ų68.139%0.38534%0.344SS..EExtended strand (participates in β ladder)trans-106.6127.7166.4-66.9-173.8-171.2-179.94.9108.3R576 W577 F630R576-R583 WeakPolarHBondContact O-CA 3.4Å; W577-R583 HydrophobicContact CD2-CG 3.85Å; W577-R583 HydrophobicContact CE3-CG 3.54Å; W577-R583 HydrophobicContact CH2-CG 4.18Å; W577-R583 HydrophobicContact CZ2-CG 4.42Å; W577-R583 HydrophobicContact CZ3-CG 3.71Å; R583-F630 HydrophobicContact CB-CB 4.18Å
584E85.4Confident87.5Confident46 Ų4668.3 Ų68.322%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-122159.7178.371.8-175.9152.700112F575 R576 S578F575-E584 WeakPolarHBondContact CA-O 3.37Å; R576-E584 HydrophobicContact CG-CG 3.8Å; R576-E584 IonicContact CZ-OE1 3.49Å; R576-E584 PolarHBondContact N-O 3.22Å; R576-E584 IonicContact NE-OE1 3.02Å; R576-E584 PolarHBondContact NE-OE1 3.28Å; R576-E584 IonicContact NH2-OE1 3.75Å; R576-E584 PolarHBondContact NH2-OE1 2.92Å; R576-E584 PolarHBondContact O-N 3.28Å; S578-E584 VanDerWaalsContact CB-OE1 3.24Å; S578-E584 WeakPolarHBondContact CB-OE1 3.5Å; S578-E584 PolarHBondContact OG-OE1 3.23Å
585K90.2Very high87.7Confident31 Ų3171 Ų7114%0.13536%0.362CS..EExtended strand (participates in β ladder)trans-111.6123.7177.6-178.8-176.9171.2-176.40109.8R574 F575 G587 H625 G627R574-K585 HydrophobicContact CB-CG 4.41Å; R574-K585 CarbonylContact O-C 3.56Å; R574-K585 WeakPolarHBondContact O-CA 3.42Å; F575-K585 HydrophobicContact CD1-CB 4.05Å; F575-K585 HydrophobicContact CD1-CG 4.21Å; F575-K585 HydrophobicContact CE1-CB 4.15Å; F575-K585 HydrophobicContact CE1-CD 4.02Å; F575-K585 HydrophobicContact CE1-CG 4.06Å; K585-G587 PolarHBondContact O-N 2.83Å; K585-G587 VanDerWaalsContact O-N 3.09Å; K585-H625 PolarHBondContact NZ-ND1 2.89Å; K585-H625 VanDerWaalsContact NZ-ND1 3.11Å; K585-H625 PolarHBondContact NZ-O 3.09Å; K585-G627 WeakPolarHBondContact CD-O 3.36Å; K585-G627 PolarHBondContact NZ-O 3.24Å
586I89.6Confident88Confident10 Ų1069.5 Ų69.55%0.05136%0.357CS..  trans-71.7101.4173.3-57167.7000108.5F493 R574 V588F493-I586 HydrophobicContact CB-CD1 3.73Å; F493-I586 HydrophobicContact CD1-CD1 4.34Å; F493-I586 HydrophobicContact CD1-CG2 3.74Å; F493-I586 HydrophobicContact CD2-CD1 3.53Å; F493-I586 HydrophobicContact CD2-CG2 4.46Å; F493-I586 HydrophobicContact CE1-CG2 3.76Å; F493-I586 HydrophobicContact CE2-CB 4.49Å; F493-I586 HydrophobicContact CE2-CD1 4.23Å; F493-I586 HydrophobicContact CE2-CG2 4.49Å; F493-I586 HydrophobicContact CG-CD1 3.6Å; F493-I586 HydrophobicContact CG-CG2 4.1Å; F493-I586 HydrophobicContact CZ-CG2 4.16Å; R574-I586 PolarHBondContact NH1-O 2.99Å; R574-I586 PolarHBondContact O-N 3.38Å; I586-V588 VanDerWaalsContact C-N 3.27Å; I586-V588 HydrophobicContact CG2-CB 3.96Å; I586-V588 HydrophobicContact CG2-CG2 3.94Å; I586-V588 PolarHBondContact O-N 3.24Å
587G88.5Confident88.4Confident45 Ų4570.3 Ų70.346%0.46437%0.366SS..  trans-84.912.7177.900000114.9K585 Q667K585-G587 PolarHBondContact O-N 2.83Å; K585-G587 VanDerWaalsContact O-N 3.09Å; G587-Q667 PolarHBondContact O-NE2 3.47Å
588V90.6Very high88.9Confident37 Ų3763.3 Ų63.322%0.22434%0.339CS..  trans-70.3127.7176.4178.30000109Y497 C513 R574 I586Y497-V588 HydrophobicContact CD1-CG1 3.97Å; Y497-V588 HydrophobicContact CD1-CG2 4.27Å; Y497-V588 HydrophobicContact CE1-CG1 4.26Å; C513-V588 HydrophobicContact CB-CG1 3.93Å; R574-V588 PolarHBondContact NH1-O 3.33Å; I586-V588 VanDerWaalsContact C-N 3.27Å; I586-V588 HydrophobicContact CG2-CB 3.96Å; I586-V588 HydrophobicContact CG2-CG2 3.94Å; I586-V588 PolarHBondContact O-N 3.24Å
589H93.1Very high89.6Confident65 Ų6567.8 Ų67.830%0.30135%0.354SS..  trans-66.7138.8170.6171.372.9000109.6C664 T666H589-C664 PolarHBondContact CE1-O 3.36Å; H589-T666 PolarHBondContact CE1-O 3.28Å; H589-T666 VanDerWaalsContact CE1-O 3.31Å; H589-T666 PolarHBondContact ND1-O 2.95Å
590V96.3Very high90.3Very high0 Ų068.6 Ų68.60%035%0.347CS..EExtended strand (participates in β ladder)trans-113.2116.6177.1177.10000105.7F493 C513 L515 M518 L572 F592F493-V590 HydrophobicContact CE1-CG2 3.51Å; F493-V590 HydrophobicContact CZ-CG2 3.86Å; C513-V590 HydrophobicContact CB-CG2 4.16Å; C513-V590 CarbonylContact O-C 3.51Å; C513-V590 WeakPolarHBondContact O-CA 3.11Å; L515-V590 HydrophobicContact CB-CG1 4.39Å; M518-V590 HydrophobicContact SD-CB 4.48Å; M518-V590 HydrophobicContact SD-CG1 3.76Å; M518-V590 HydrophobicContact SD-CG2 3.87Å; L572-V590 HydrophobicContact CD1-CB 4.01Å; L572-V590 HydrophobicContact CD1-CG1 4.15Å; L572-V590 HydrophobicContact CD1-CG2 4.03Å; V590-F592 VanDerWaalsContact O-CD1 3.24Å; V590-F592 WeakPolarHBondContact O-CD1 3.37Å
591A96.8Very high91.3Very high40 Ų4057.6 Ų57.633%0.33131%0.306SS..EExtended strand (participates in β ladder)trans-70.8128.7176.700000109.6C513 S514 L515C513-A591 PolarHBondContact O-N 3.46Å; S514-A591 WeakPolarHBondContact CA-O 3.41Å; L515-A591 PolarHBondContact N-O 3.27Å
592F97.3Very high92.3Very high5 Ų551 Ų512%0.02227%0.271CS..  trans-140.8143.1174.760.1-91.2000109.7L515 V590 L619 V622 V663 T666 A668 L671L515-F592 HydrophobicContact CB-CB 3.95Å; L515-F592 HydrophobicContact CD2-CB 3.85Å; V590-F592 VanDerWaalsContact O-CD1 3.24Å; V590-F592 WeakPolarHBondContact O-CD1 3.37Å; F592-L619 HydrophobicContact CD2-CD1 4.35Å; F592-L619 HydrophobicContact CD2-CD2 4.08Å; F592-L619 HydrophobicContact CE2-CD1 4.39Å; F592-L619 HydrophobicContact CE2-CD2 3.7Å; F592-V622 HydrophobicContact CE2-CG2 3.96Å; F592-V622 HydrophobicContact CZ-CG1 4.3Å; F592-V622 HydrophobicContact CZ-CG2 4.08Å; F592-V663 VanDerWaalsContact CZ-O 3.31Å; F592-V663 WeakPolarHBondContact CZ-O 3.17Å; F592-T666 WeakPolarHBondContact CZ-OG1 3.25Å; F592-A668 HydrophobicContact CD1-CB 4.16Å; F592-A668 HydrophobicContact CE1-CB 3.48Å; F592-A668 VanDerWaalsContact CE1-CB 3.48Å; F592-A668 HydrophobicContact CZ-CB 3.99Å; F592-L671 HydrophobicContact CB-CD1 4.19Å; F592-L671 HydrophobicContact CD1-CD1 4.19Å; F592-L671 HydrophobicContact CD1-CD2 3.99Å; F592-L671 HydrophobicContact CD2-CD2 3.76Å; F592-L671 HydrophobicContact CE1-CD2 3.96Å; F592-L671 HydrophobicContact CE2-CD2 3.7Å; F592-L671 HydrophobicContact CG-CD1 4.07Å; F592-L671 HydrophobicContact CG-CD2 3.91Å; F592-L671 HydrophobicContact CZ-CD2 3.8Å
593D96Very high92.8Very high101 Ų10146.4 Ų46.454%0.5425%0.252SS..  trans-95.4160.7-177.8-55.9-57.4000111.2V595 Y673D593-V595 PolarHBondContact O-N 3.27Å; D593-Y673 PolarHBondContact O-OH 2.6Å
594Q95.7Very high92.4Very high80 Ų8048.1 Ų48.137%0.37427%0.274SS..SBendtrans-58.8-30.1170.5-174.1-178.210.700111.9D618 L619 V660Q594-D618 CarbonylContact O-C 3.56Å; Q594-D618 WeakPolarHBondContact O-CA 3.14Å; Q594-L619 WeakPolarHBondContact O-CB 3.3Å; Q594-L619 PolarHBondContact O-N 3.03Å; Q594-V660 HydrophobicContact CB-CG2 4.11Å; Q594-V660 HydrophobicContact CG-CG2 4.11Å
595V96.6Very high91.2Very high59 Ų5951.3 Ų51.336%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-118.4118.4-174.6-1700000109.9D593 T616 Y617 R676D593-V595 PolarHBondContact O-N 3.27Å; V595-T616 HydrophobicContact CG1-CG2 3.41Å; V595-T616 VanDerWaalsContact CG1-CG2 3.41Å; V595-Y617 WeakPolarHBondContact CA-O 3.44Å; V595-R676 VanDerWaalsContact CG2-NH2 3.26Å
596L96.6Very high89.3Confident10 Ų1055.9 Ų55.95%0.05233%0.328CS..EExtended strand (participates in β ladder)trans-109.5123.2179.2179.563.3000110.7L515 L519 L568 L570 I598 T616 Y617 Y673L515-L596 HydrophobicContact CD2-CD1 4.34Å; L515-L596 HydrophobicContact CD2-CD2 4.25Å; L519-L596 HydrophobicContact CD1-CD1 3.92Å; L519-L596 HydrophobicContact CD1-CD2 4.22Å; L568-L596 HydrophobicContact CD2-CD2 4.31Å; L570-L596 HydrophobicContact CD1-CD2 3.84Å; L596-I598 HydrophobicContact CD2-CD1 4.24Å; L596-T616 WeakPolarHBondContact O-CA 3.43Å; L596-Y617 PolarHBondContact N-O 2.85Å; L596-Y617 PolarHBondContact O-N 2.89Å; L596-Y673 HydrophobicContact CB-CD1 3.75Å; L596-Y673 HydrophobicContact CB-CE1 3.56Å; L596-Y673 HydrophobicContact CB-CG 4.37Å; L596-Y673 HydrophobicContact CD2-CD1 4.34Å; L596-Y673 HydrophobicContact CD2-CD2 3.95Å; L596-Y673 HydrophobicContact CD2-CE1 4.39Å; L596-Y673 HydrophobicContact CD2-CE2 3.98Å; L596-Y673 HydrophobicContact CD2-CG 4.13Å
597N95.3Very high87.2Confident84 Ų8458.4 Ų58.445%0.44936%0.357SS..EExtended strand (participates in β ladder)trans-94.5111168.8179.49.9000109.7K599N597-K599 WeakPolarHBondContact OD1-CB 3.29Å; N597-K599 PolarHBondContact OD1-N 3.39Å; N597-K599 VanDerWaalsContact OD1-N 3.07Å
598I95.1Very high85.2Confident0 Ų064.4 Ų64.40%037%0.372CS..  trans-89.4-7.6-177.6-152.970.5000113.3L519 I561 L564 L568 L596 P600 Y601 Y615 Y617L519-I598 HydrophobicContact CD1-CD1 4.18Å; L519-I598 HydrophobicContact CD2-CD1 4.31Å; I561-I598 HydrophobicContact CD1-CD1 4.01Å; I561-I598 HydrophobicContact CD1-CG1 3.63Å; L564-I598 HydrophobicContact CD1-CG2 3.78Å; L564-I598 HydrophobicContact CD2-CB 4.47Å; L564-I598 HydrophobicContact CD2-CG1 4.2Å; L564-I598 HydrophobicContact CD2-CG2 3.52Å; L564-I598 HydrophobicContact CG-CG2 4.31Å; L568-I598 HydrophobicContact CD2-CD1 3.61Å; L568-I598 HydrophobicContact CD2-CG1 4.04Å; L596-I598 HydrophobicContact CD2-CD1 4.24Å; I598-P600 VanDerWaalsContact O-N 3.16Å; I598-Y601 HydrophobicContact CD1-CD2 3.79Å; I598-Y601 HydrophobicContact CD1-CE2 4.48Å; I598-Y601 HydrophobicContact CG1-CD2 4.21Å; I598-Y601 WeakPolarHBondContact O-CD2 3.47Å; I598-Y601 PolarHBondContact O-N 3.32Å; I598-Y615 HydrophobicContact CG2-CD1 4.47Å; I598-Y615 WeakPolarHBondContact CG2-O 3.46Å; I598-Y615 PolarHBondContact N-O 2.87Å; I598-Y617 HydrophobicContact CG2-CD2 4.26Å; I598-Y617 HydrophobicContact CG2-CE2 3.86Å
599K92.8Very high83.3Confident127 Ų12767.2 Ų67.255%0.55239%0.394SS*.G310 helixtrans-49.2-41.7-174.7-170.5178.7175.9-176.30114.9N597 Y601 C602 Y615N597-K599 WeakPolarHBondContact OD1-CB 3.29Å; N597-K599 PolarHBondContact OD1-N 3.39Å; N597-K599 VanDerWaalsContact OD1-N 3.07Å; K599-Y601 PolarHBondContact O-N 3.19Å; K599-C602 PolarHBondContact O-N 3.46Å; K599-Y615 HydrophobicContact CB-CD1 3.93Å; K599-Y615 HydrophobicContact CB-CD2 4.44Å; K599-Y615 HydrophobicContact CB-CG 3.78Å; K599-Y615 HydrophobicContact CD-CD2 4.31Å; K599-Y615 HydrophobicContact CD-CG 4.47Å; K599-Y615 HydrophobicContact CG-CD1 4.08Å; K599-Y615 HydrophobicContact CG-CD2 4.27Å; K599-Y615 HydrophobicContact CG-CE1 4.4Å; K599-Y615 HydrophobicContact CG-CG 4Å
600P94.2Very high81.4Confident89 Ų8967.4 Ų67.458%0.57840%0.399SS*.G310 helixtrans-64.2-20.6-178.7-22.635.3000114.6I598I598-P600 VanDerWaalsContact O-N 3.16Å
601Y94.6Very high79.7Confident14 Ų1468.4 Ų68.46%0.05540%0.404CS..G310 helixtrans-100.5-3.3-174.4-44.9-68.6000112.6I516 L519 T523 I561 I598 K599I516-Y601 WeakPolarHBondContact CG2-OH 3.41Å; I516-Y601 PolarHBondContact O-OH 3.23Å; L519-Y601 HydrophobicContact CB-CD1 4Å; L519-Y601 HydrophobicContact CB-CD2 4.25Å; L519-Y601 HydrophobicContact CB-CE1 3.64Å; L519-Y601 HydrophobicContact CB-CE2 3.9Å; L519-Y601 HydrophobicContact CB-CG 4.29Å; L519-Y601 HydrophobicContact CD1-CD2 4.35Å; L519-Y601 HydrophobicContact CD1-CE2 3.9Å; L519-Y601 HydrophobicContact CG-CE2 4.5Å; T523-Y601 HydrophobicContact CG2-CD1 4.19Å; T523-Y601 HydrophobicContact CG2-CG 4.47Å; T523-Y601 WeakPolarHBondContact OG1-CD1 3.39Å; I561-Y601 PolarHBondContact N-O 3.21Å; I598-Y601 HydrophobicContact CD1-CD2 3.79Å; I598-Y601 HydrophobicContact CD1-CE2 4.48Å; I598-Y601 HydrophobicContact CG1-CD2 4.21Å; I598-Y601 WeakPolarHBondContact O-CD2 3.47Å; I598-Y601 PolarHBondContact O-N 3.32Å; K599-Y601 PolarHBondContact O-N 3.19Å
602C92.6Very high77.9Confident10 Ų1078.6 Ų78.67%0.06843%0.434CS..BIsolated β-bridgetrans-87.1152.6176.3-670000111.3I561 K599 T604 Y615I561-C602 VanDerWaalsContact O-CA 3.27Å; I561-C602 WeakPolarHBondContact O-CA 3.43Å; K599-C602 PolarHBondContact O-N 3.46Å; C602-T604 PolarHBondContact O-N 3.16Å; C602-Y615 HydrophobicContact CB-CE1 4.24Å
603C88.1Confident76.1Confident19 Ų1979.7 Ų79.713%0.12845%0.447CS..  trans-69.9127.8169.560.90000110.9L468 L560 I561L468-C603 HydrophobicContact CD2-CB 3.88Å; L560-C603 HydrophobicContact CB-CB 4.27Å; L560-C603 HydrophobicContact CD1-CB 4.19Å; I561-C603 PolarHBondContact O-N 3.41Å
604T74.4Confident75.5Confident139 Ų13976.1 Ų76.185%0.85343%0.433SS*.  trans-84.4108.1167.824.70000109.5C602C602-T604 PolarHBondContact O-N 3.16Å
605D60.9Low75.3Confident113 Ų11375.4 Ų75.460%0.60443%0.428SS*.  trans-103.4133.3174.2-145.8-2.3000111.2G607D605-G607 PolarHBondContact O-N 3.42Å; D605-G607 VanDerWaalsContact O-N 3.09Å
606S50.1Low75.2Confident126 Ų12674.9 Ų74.988%0.88143%0.425SS*.SBendtrans-85.781.1-167.3-63.90000111.9
607G46.2Very low75.1Confident64 Ų6474.4 Ų74.466%0.6642%0.422SS*.SBendtrans159.6-27.816500000116.4D605D605-G607 PolarHBondContact O-N 3.42Å; D605-G607 VanDerWaalsContact O-N 3.09Å
608H47.1Very low75.2Confident170 Ų17072.6 Ų72.679%0.78741%0.412SS*.SBendtrans-138.9136.1-179.8-65-60.5000111.5V610H608-V610 VanDerWaalsContact C-N 3.31Å; H608-V610 PolarHBondContact O-N 2.87Å
609S49.3Very low75.3Confident97 Ų9772.8 Ų72.868%0.67841%0.413SS*.  trans-69.587.6170.545.20000110.3H611S609-H611 PolarHBondContact O-N 3.4Å
610V54.3Low75.6Confident68 Ų6867.7 Ų67.741%0.41239%0.394SS..SBendtrans-51.9-31.8177.8179.90000111.6H608H608-V610 VanDerWaalsContact C-N 3.31Å; H608-V610 PolarHBondContact O-N 2.87Å
611H60.8Low75.8Confident21 Ų2163.5 Ų63.510%0.09737%0.367CS..  trans-94.9106.6175-52.2-72.2000111.2Y562 S609 Y615Y562-H611 PolarHBondContact O-CE1 2.71Å; S609-H611 PolarHBondContact O-N 3.4Å; H611-Y615 HydrophobicContact CB-CE1 4.29Å; H611-Y615 AromaticContact CD2-CE1 3.48Å; H611-Y615 VanDerWaalsContact CD2-CE1 3.48Å; H611-Y615 WeakPolarHBondContact CD2-CE1 3.42Å; H611-Y615 AromaticContact CD2-CZ 3.79Å; H611-Y615 PolarHBondContact CD2-OH 3.22Å
612R58Low76Confident255 Ų25562.9 Ų62.996%0.96236%0.364SS*.SBendtrans-73.6-14.5167.1-62.6-169.3-170.4-153.62.6113.5
613G60.1Low76.2Confident28 Ų2862.4 Ų62.429%0.28936%0.361SS..SBendtrans-100.9156.1174.500000111.3
614G81.9Confident76.6Confident25 Ų2562 Ų6226%0.25836%0.357SS..  trans-64.5157.3-178.800000113.9T616 Q675G614-T616 VanDerWaalsContact C-N 3.26Å; G614-T616 PolarHBondContact O-N 2.8Å; G614-Q675 WeakPolarHBondContact O-CG 3.25Å; G614-Q675 PolarHBondContact O-NE2 2.78Å
615Y91.3Very high77.6Confident66 Ų6655.8 Ų55.826%0.25932%0.318SS..SBendtrans-84.40.8175.5-59.4-88.7000113.4L564 I598 K599 C602 H611L564-Y615 HydrophobicContact CD1-CD1 4.05Å; L564-Y615 HydrophobicContact CD1-CE1 4.45Å; I598-Y615 HydrophobicContact CG2-CD1 4.47Å; I598-Y615 WeakPolarHBondContact CG2-O 3.46Å; I598-Y615 PolarHBondContact N-O 2.87Å; K599-Y615 HydrophobicContact CB-CD1 3.93Å; K599-Y615 HydrophobicContact CB-CD2 4.44Å; K599-Y615 HydrophobicContact CB-CG 3.78Å; K599-Y615 HydrophobicContact CD-CD2 4.31Å; K599-Y615 HydrophobicContact CD-CG 4.47Å; K599-Y615 HydrophobicContact CG-CD1 4.08Å; K599-Y615 HydrophobicContact CG-CD2 4.27Å; K599-Y615 HydrophobicContact CG-CE1 4.4Å; K599-Y615 HydrophobicContact CG-CG 4Å; C602-Y615 HydrophobicContact CB-CE1 4.24Å; H611-Y615 HydrophobicContact CB-CE1 4.29Å; H611-Y615 AromaticContact CD2-CE1 3.48Å; H611-Y615 VanDerWaalsContact CD2-CE1 3.48Å; H611-Y615 WeakPolarHBondContact CD2-CE1 3.42Å; H611-Y615 AromaticContact CD2-CZ 3.79Å; H611-Y615 PolarHBondContact CD2-OH 3.22Å
616T94.6Very high79.1Confident48 Ų4854.3 Ų54.329%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-101.1133.4-176.9-48.70000110.1V595 L596 G614 R676V595-T616 HydrophobicContact CG1-CG2 3.41Å; V595-T616 VanDerWaalsContact CG1-CG2 3.41Å; L596-T616 WeakPolarHBondContact O-CA 3.43Å; G614-T616 VanDerWaalsContact C-N 3.26Å; G614-T616 PolarHBondContact O-N 2.8Å; T616-R676 WeakPolarHBondContact O-CB 3.42Å; T616-R676 PolarHBondContact O-N 2.92Å
617Y96.3Very high80.8Confident0 Ų050.1 Ų50.10%028%0.284CS..EExtended strand (participates in β ladder)trans-125147-179.7-72.9-112.4000111L564 P565 L568 V595 L596 I598 Y673 T674 Q675L564-Y617 WeakPolarHBondContact CB-OH 3.17Å; L564-Y617 HydrophobicContact CD1-CE2 4.45Å; L564-Y617 HydrophobicContact CD2-CE2 4.26Å; P565-Y617 WeakPolarHBondContact O-CE1 3.35Å; P565-Y617 PolarHBondContact O-OH 3.49Å; L568-Y617 HydrophobicContact CB-CD1 3.97Å; L568-Y617 HydrophobicContact CB-CE1 3.74Å; V595-Y617 WeakPolarHBondContact CA-O 3.44Å; L596-Y617 PolarHBondContact N-O 2.85Å; L596-Y617 PolarHBondContact O-N 2.89Å; I598-Y617 HydrophobicContact CG2-CD2 4.26Å; I598-Y617 HydrophobicContact CG2-CE2 3.86Å; Y617-Y673 WeakPolarHBondContact CD1-O 3.45Å; Y617-T674 CarbonylContact C-O 2.88Å; Y617-T674 VanDerWaalsContact CA-O 3.29Å; Y617-T674 WeakPolarHBondContact CA-O 3.37Å; Y617-T674 VanDerWaalsContact CD1-C 3.41Å; Y617-Q675 VanDerWaalsContact CD1-CA 3.49Å; Y617-Q675 HydrophobicContact CD1-CB 4.02Å; Y617-Q675 HydrophobicContact CE1-CB 3.58Å; Y617-Q675 HydrophobicContact CE1-CG 4.24Å; Y617-Q675 HydrophobicContact CE2-CB 4.31Å; Y617-Q675 HydrophobicContact CE2-CG 4.1Å
618D96.7Very high82.1Confident46 Ų4657 Ų5725%0.24630%0.296CS..EExtended strand (participates in β ladder)trans-103.5133.7171.5-71.7-50.2000111.5Q594 S620 Y673 T674 R676Q594-D618 CarbonylContact O-C 3.56Å; Q594-D618 WeakPolarHBondContact O-CA 3.14Å; D618-S620 PolarHBondContact O-N 3.11Å; D618-S620 PolarHBondContact O-OG 2.88Å; D618-S620 VanDerWaalsContact O-OG 3.06Å; D618-Y673 CarbonylContact O-C 3.52Å; D618-Y673 WeakPolarHBondContact O-CA 3.44Å; D618-T674 PolarHBondContact N-O 3.02Å; D618-T674 PolarHBondContact O-N 3.2Å; D618-R676 IonicContact OD1-CZ 3.13Å; D618-R676 VanDerWaalsContact OD1-CZ 3.23Å; D618-R676 IonicContact OD1-NE 2.82Å; D618-R676 PolarHBondContact OD1-NE 3.41Å; D618-R676 IonicContact OD1-NH2 3.71Å; D618-R676 PolarHBondContact OD1-NH2 3.07Å; D618-R676 WeakPolarHBondContact OD2-CD 3.42Å; D618-R676 WeakPolarHBondContact OD2-CG 3.37Å; D618-R676 IonicContact OD2-CZ 3.23Å; D618-R676 IonicContact OD2-NE 3.72Å; D618-R676 PolarHBondContact OD2-NE 3.24Å; D618-R676 IonicContact OD2-NH2 2.68Å
619L97.9Very high83.3Confident4 Ų449.9 Ų49.92%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-58.7122.3171.8-171.475.1000109.1F592 Q594 V622 W647 V663 L671 Y673F592-L619 HydrophobicContact CD2-CD1 4.35Å; F592-L619 HydrophobicContact CD2-CD2 4.08Å; F592-L619 HydrophobicContact CE2-CD1 4.39Å; F592-L619 HydrophobicContact CE2-CD2 3.7Å; Q594-L619 WeakPolarHBondContact O-CB 3.3Å; Q594-L619 PolarHBondContact O-N 3.03Å; L619-V622 HydrophobicContact CD1-CG2 4.04Å; L619-V622 HydrophobicContact CD2-CG2 3.85Å; L619-V622 HydrophobicContact CG-CG2 4.24Å; L619-W647 HydrophobicContact CB-CH2 4.39Å; L619-W647 HydrophobicContact CB-CZ2 4.38Å; L619-W647 HydrophobicContact CD2-CH2 3.91Å; L619-W647 HydrophobicContact CD2-CZ2 4.1Å; L619-W647 HydrophobicContact CG-CH2 3.86Å; L619-W647 HydrophobicContact CG-CZ2 4.24Å; L619-W647 WeakPolarHBondContact O-CH2 3.27Å; L619-W647 VanDerWaalsContact O-CZ2 3.29Å; L619-W647 WeakPolarHBondContact O-CZ2 3.47Å; L619-V663 HydrophobicContact CD2-CG1 3.82Å; L619-L671 HydrophobicContact CD1-CD2 3.96Å; L619-Y673 HydrophobicContact CB-CD1 4.15Å; L619-Y673 HydrophobicContact CB-CE1 3.73Å; L619-Y673 HydrophobicContact CD1-CD1 4.3Å; L619-Y673 HydrophobicContact CD1-CD2 4.27Å; L619-Y673 HydrophobicContact CD1-CE1 3.81Å; L619-Y673 HydrophobicContact CD1-CE2 3.79Å; L619-Y673 HydrophobicContact CD1-CG 4.5Å; L619-Y673 HydrophobicContact CG-CE1 4.39Å
620S97.4Very high84.3Confident20 Ų2050 Ų5014%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-114.2-31.8-175.1-54.30000112.2D618 Y640 F672 T674D618-S620 PolarHBondContact O-N 3.11Å; D618-S620 PolarHBondContact O-OG 2.88Å; D618-S620 VanDerWaalsContact O-OG 3.06Å; S620-Y640 PolarHBondContact O-N 3.19Å; S620-F672 PolarHBondContact N-O 3.27Å; S620-T674 WeakPolarHBondContact OG-CB 2.95Å; S620-T674 PolarHBondContact OG-N 3.28Å; S620-T674 PolarHBondContact OG-OG1 3Å
621A98.4Very high85.1Confident1 Ų149.8 Ų49.81%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-157.1158.3171.800000113.4V278 Y638 F672V278-A621 HydrophobicContact CB-CB 4.25Å; V278-A621 HydrophobicContact CG1-CB 3.68Å; V278-A621 HydrophobicContact CG2-CB 3.76Å; A621-Y638 CarbonylContact C-O 3.49Å; A621-Y638 WeakPolarHBondContact CA-O 2.99Å; A621-Y638 WeakPolarHBondContact CB-O 3.48Å; A621-F672 HydrophobicContact CB-CB 4.04Å; A621-F672 HydrophobicContact CB-CD2 4.2Å; A621-F672 HydrophobicContact CB-CG 4.31Å; A621-F672 PolarHBondContact N-O 3.38Å; A621-F672 PolarHBondContact O-N 3.21Å
622V98.6Very high86.1Confident0 Ų052.3 Ų52.30%029%0.289CS..EExtended strand (participates in β ladder)trans-133.9120174.1-174.70000109.1F592 L619 M624 A637 Y638 V663 A668 I670 L671F592-V622 HydrophobicContact CE2-CG2 3.96Å; F592-V622 HydrophobicContact CZ-CG1 4.3Å; F592-V622 HydrophobicContact CZ-CG2 4.08Å; L619-V622 HydrophobicContact CD1-CG2 4.04Å; L619-V622 HydrophobicContact CD2-CG2 3.85Å; L619-V622 HydrophobicContact CG-CG2 4.24Å; V622-M624 HydrophobicContact CG1-CG 4.48Å; V622-A637 CarbonylContact O-C 3.56Å; V622-A637 VanDerWaalsContact O-CA 3.28Å; V622-A637 WeakPolarHBondContact O-CA 3.31Å; V622-Y638 PolarHBondContact N-O 3.34Å; V622-Y638 PolarHBondContact O-N 3.28Å; V622-V663 HydrophobicContact CB-CG1 4.48Å; V622-V663 HydrophobicContact CG2-CG1 3.61Å; V622-A668 HydrophobicContact CG1-CB 3.5Å; V622-I670 WeakPolarHBondContact CA-O 3.14Å; V622-L671 HydrophobicContact CB-CD2 4.4Å; V622-L671 HydrophobicContact CG1-CD2 3.97Å; V622-L671 HydrophobicContact CG2-CD2 3.84Å
623V98.6Very high87.5Confident0 Ų041 Ų410%025%0.253CS..EExtended strand (participates in β ladder)trans-89.4132.8166.8178.80000108.2I275 V278 A418 Y635 Y669 I670 F672I275-V623 HydrophobicContact CD1-CG2 4.05Å; V278-V623 HydrophobicContact CG2-CG2 3.79Å; A418-V623 HydrophobicContact CB-CG1 4.38Å; V623-Y635 HydrophobicContact CG1-CD1 4.05Å; V623-Y669 WeakPolarHBondContact O-CA 3.46Å; V623-Y669 WeakPolarHBondContact O-CB 3.46Å; V623-Y669 PolarHBondContact O-N 2.91Å; V623-I670 HydrophobicContact CB-CB 4.08Å; V623-I670 HydrophobicContact CB-CD1 4.44Å; V623-I670 HydrophobicContact CB-CG1 4.33Å; V623-I670 HydrophobicContact CG2-CB 4.41Å; V623-I670 PolarHBondContact N-O 3.47Å; V623-I670 PolarHBondContact O-N 3.24Å; V623-F672 HydrophobicContact CG2-CE2 3.86Å
624M96.5Very high89.2Confident10 Ų1042.2 Ų42.25%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-112148.3173.2-64.2-170.9-64.300111V622 H626 Y635 T636 Y638 T666V622-M624 HydrophobicContact CG1-CG 4.48Å; M624-H626 WeakPolarHBondContact CE-NE2 3.39Å; M624-Y635 WeakPolarHBondContact O-CA 3.32Å; M624-Y635 WeakPolarHBondContact O-CD1 3.38Å; M624-T636 WeakPolarHBondContact CE-OG1 3.47Å; M624-T636 PolarHBondContact N-O 2.94Å; M624-T636 PolarHBondContact O-N 2.82Å; M624-T636 VanDerWaalsContact O-N 3.15Å; M624-Y638 HydrophobicContact CE-CD2 3.92Å; M624-Y638 HydrophobicContact CE-CE2 3.26Å; M624-Y638 HydrophobicContact SD-CD2 4.27Å; M624-Y638 HydrophobicContact SD-CE2 3.7Å; M624-T666 VanDerWaalsContact SD-CB 3.51Å; M624-T666 HydrophobicContact SD-CG2 3.58Å; M624-T666 VanDerWaalsContact SD-CG2 3.58Å
625H95Very high89.9Confident9 Ų941.7 Ų41.74%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-112.9116.2165.9178.2-126.6000110.2F575 K585 G633 Y635 Y669F575-H625 AromaticContact CE1-CE1 3.88Å; F575-H625 AromaticContact CE1-ND1 3.87Å; F575-H625 AromaticContact CZ-CE1 3.45Å; F575-H625 VanDerWaalsContact CZ-CE1 3.45Å; F575-H625 WeakPolarHBondContact CZ-CE1 3.39Å; F575-H625 AromaticContact CZ-ND1 3.27Å; F575-H625 VanDerWaalsContact CZ-ND1 3.27Å; F575-H625 WeakPolarHBondContact CZ-ND1 3.31Å; K585-H625 PolarHBondContact NZ-ND1 2.89Å; K585-H625 VanDerWaalsContact NZ-ND1 3.11Å; K585-H625 PolarHBondContact NZ-O 3.09Å; H625-G633 WeakPolarHBondContact NE2-CA 3.37Å; H625-Y635 HydrophobicContact CB-CD1 4.01Å; H625-Y635 HydrophobicContact CB-CE1 3.65Å; H625-Y635 AromaticContact CD2-CE1 3.81Å; H625-Y635 AromaticContact CD2-CE2 3.87Å; H625-Y635 AromaticContact CD2-CZ 3.66Å; H625-Y635 AromaticContact CG-CE1 3.93Å; H625-Y669 HydrophobicContact CB-CG 4.32Å
626H91.4Very high90.3Very high82 Ų8238.6 Ų38.638%0.3823%0.229SC..EExtended strand (participates in β ladder)trans-90.5136.8170.1-57.1-71000109.9M624 G633 H634 T636M624-H626 WeakPolarHBondContact CE-NE2 3.39Å; H626-G633 CarbonylContact O-C 3.52Å; H626-G633 WeakPolarHBondContact O-CA 3.44Å; H626-H634 HydrophobicContact CB-CB 4.37Å; H626-H634 PolarHBondContact CD2-O 2.79Å; H626-H634 PolarHBondContact N-O 2.94Å; H626-H634 PolarHBondContact O-N 3.44Å; H626-T636 PolarHBondContact CD2-OG1 3.12Å; H626-T636 PolarHBondContact NE2-OG1 3.07Å
627G86.1Confident90.5Very high38 Ų3836.3 Ų36.339%0.39222%0.215SC..SBendtrans138.7157.8-178.800000112.5K585K585-G627 WeakPolarHBondContact CD-O 3.36Å; K585-G627 PolarHBondContact NZ-O 3.24Å
628K74.3Confident90.6Very high209 Ų20936.9 Ų36.991%0.90922%0.217SC*.SBendtrans-92.4-16-175-69.2-177.4178.9176.40114.2
629G70.9Confident90.7Very high20 Ų2034.7 Ų34.721%0.20621%0.205CC..SBendtrans-145.1-175.5-172.800000113.1
630F71.3Confident90.6Very high99 Ų9938.6 Ų38.643%0.43422%0.22SC..SBendtrans-76.2-45.8-179.2174.1-89.7000112.9F575 R583 S632F575-F630 HydrophobicContact CB-CD2 4.29Å; F575-F630 HydrophobicContact CD1-CB 4.2Å; F575-F630 HydrophobicContact CD1-CD2 4.13Å; F575-F630 HydrophobicContact CE1-CB 4.4Å; F575-F630 HydrophobicContact CG-CD2 4.09Å; R583-F630 HydrophobicContact CB-CB 4.18Å; F630-S632 VanDerWaalsContact C-N 3.34Å; F630-S632 PolarHBondContact O-N 2.87Å
631G71.1Confident90.6Very high65 Ų6537.7 Ų37.767%0.6721%0.214SC*.SBendtrans-88.712.1-174.100000115.6
632S81.7Confident90.2Very high73 Ų7340.2 Ų40.251%0.5123%0.229SC..SBendtrans-156.3124.1174.562.20000112.9Q415 F630Q415-S632 VanDerWaalsContact OE1-CA 3.25Å; F630-S632 VanDerWaalsContact C-N 3.34Å; F630-S632 PolarHBondContact O-N 2.87Å
633G88.3Confident89.7Confident19 Ų1945.5 Ų45.520%0.19625%0.254CS..  trans-177.5-164.9171.500000114.9Q415 H625 H626Q415-G633 PolarHBondContact NE2-O 2.89Å; Q415-G633 VanDerWaalsContact NE2-O 3.14Å; Q415-G633 PolarHBondContact OE1-O 2.79Å; H625-G633 WeakPolarHBondContact NE2-CA 3.37Å; H626-G633 CarbonylContact O-C 3.52Å; H626-G633 WeakPolarHBondContact O-CA 3.44Å
634H94.7Very high89.1Confident52 Ų5247.3 Ų47.324%0.24127%0.272CS..EExtended strand (participates in β ladder)trans-145.4131.1-17618049.1000110.4C270 H626 T636 N651 D652C270-H634 VanDerWaalsContact CB-CE1 3.48Å; C270-H634 WeakPolarHBondContact CB-CE1 3.27Å; C270-H634 VanDerWaalsContact CB-ND1 3.28Å; C270-H634 WeakPolarHBondContact CB-ND1 3.34Å; H626-H634 HydrophobicContact CB-CB 4.37Å; H626-H634 PolarHBondContact CD2-O 2.79Å; H626-H634 PolarHBondContact N-O 2.94Å; H626-H634 PolarHBondContact O-N 3.44Å; H634-T636 WeakPolarHBondContact NE2-CG2 3.2Å; H634-N651 PolarHBondContact NE2-OD1 3.37Å; H634-D652 IonicContact CE1-OD2 2.69Å; H634-D652 PolarHBondContact CE1-OD2 2.82Å; H634-D652 VanDerWaalsContact CE1-OD2 3.28Å
635Y97.8Very high89Confident14 Ų1449.1 Ų49.16%0.05529%0.294CS..EExtended strand (participates in β ladder)trans-100.9142.4179.1-70.9-85.7000111.6C270 Q416 D417 A418 V623 M624 H625 Y669C270-Y635 PolarHBondContact SG-N 2.91Å; C270-Y635 VanDerWaalsContact SG-N 3.41Å; Q416-Y635 WeakPolarHBondContact O-CE2 3.5Å; D417-Y635 PolarHBondContact OD2-OH 2.9Å; A418-Y635 HydrophobicContact CB-CD1 3.65Å; A418-Y635 HydrophobicContact CB-CD2 4.48Å; A418-Y635 HydrophobicContact CB-CE1 3.53Å; A418-Y635 HydrophobicContact CB-CE2 4.38Å; A418-Y635 HydrophobicContact CB-CG 4.14Å; V623-Y635 HydrophobicContact CG1-CD1 4.05Å; M624-Y635 WeakPolarHBondContact O-CA 3.32Å; M624-Y635 WeakPolarHBondContact O-CD1 3.38Å; H625-Y635 HydrophobicContact CB-CD1 4.01Å; H625-Y635 HydrophobicContact CB-CE1 3.65Å; H625-Y635 AromaticContact CD2-CE1 3.81Å; H625-Y635 AromaticContact CD2-CE2 3.87Å; H625-Y635 AromaticContact CD2-CZ 3.66Å; H625-Y635 AromaticContact CG-CE1 3.93Å; Y635-Y669 HydrophobicContact CD1-CD1 4.46Å; Y635-Y669 AromaticContact CE1-CD1 3.69Å; Y635-Y669 HydrophobicContact CE1-CD1 3.69Å; Y635-Y669 AromaticContact CE1-CE1 3.89Å; Y635-Y669 HydrophobicContact CE1-CE1 3.89Å
636T98.2Very high89Confident2 Ų251.3 Ų51.31%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-143.8158.6177.748.40000108.5M624 H626 H634 N651M624-T636 WeakPolarHBondContact CE-OG1 3.47Å; M624-T636 PolarHBondContact N-O 2.94Å; M624-T636 PolarHBondContact O-N 2.82Å; M624-T636 VanDerWaalsContact O-N 3.15Å; H626-T636 PolarHBondContact CD2-OG1 3.12Å; H626-T636 PolarHBondContact NE2-OG1 3.07Å; H634-T636 WeakPolarHBondContact NE2-CG2 3.2Å; T636-N651 HydrophobicContact CG2-CB 4.04Å; T636-N651 WeakPolarHBondContact CG2-OD1 3.46Å
637A98.6Very high89.3Confident0 Ų048 Ų480%029%0.287CS..EExtended strand (participates in β ladder)trans-129.6141.3179.200000111.3V278 V622 C650V278-A637 HydrophobicContact CG2-CB 3.83Å; V622-A637 CarbonylContact O-C 3.56Å; V622-A637 VanDerWaalsContact O-CA 3.28Å; V622-A637 WeakPolarHBondContact O-CA 3.31Å; A637-C650 HydrophobicContact CB-CB 4.47Å; A637-C650 PolarHBondContact N-O 3.37Å; A637-C650 WeakPolarHBondContact O-CA 3.45Å; A637-C650 WeakPolarHBondContact O-CB 3.27Å; A637-C650 PolarHBondContact O-N 3.23Å
638Y98.6Very high89.8Confident12 Ų1246.2 Ų46.25%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-97.3129.7157.9-71.2-87.2000108.4A621 V622 M624 V648 H649 C658 E662 V663 T666A621-Y638 CarbonylContact C-O 3.49Å; A621-Y638 WeakPolarHBondContact CA-O 2.99Å; A621-Y638 WeakPolarHBondContact CB-O 3.48Å; V622-Y638 PolarHBondContact N-O 3.34Å; V622-Y638 PolarHBondContact O-N 3.28Å; M624-Y638 HydrophobicContact CE-CD2 3.92Å; M624-Y638 HydrophobicContact CE-CE2 3.26Å; M624-Y638 HydrophobicContact SD-CD2 4.27Å; M624-Y638 HydrophobicContact SD-CE2 3.7Å; Y638-V648 CarbonylContact C-O 3.57Å; Y638-V648 WeakPolarHBondContact CA-O 3.43Å; Y638-H649 HydrophobicContact CD1-CB 3.73Å; Y638-H649 HydrophobicContact CE1-CB 3.44Å; Y638-H649 VanDerWaalsContact CE1-CB 3.44Å; Y638-H649 AromaticContact CE1-CG 3.62Å; Y638-H649 AromaticContact CZ-CD2 3.99Å; Y638-H649 AromaticContact CZ-CG 3.74Å; Y638-H649 AromaticContact CZ-ND1 3.87Å; Y638-C658 HydrophobicContact CD1-CB 4.46Å; Y638-C658 WeakPolarHBondContact CD1-SG 3.23Å; Y638-C658 HydrophobicContact CE1-CB 4.05Å; Y638-E662 HydrophobicContact CE1-CG 4.43Å; Y638-E662 PolarHBondContact OH-OE1 2.84Å; Y638-V663 HydrophobicContact CD1-CG2 3.63Å; Y638-V663 HydrophobicContact CE1-CG2 4.26Å; Y638-V663 HydrophobicContact CG-CG1 4.47Å; Y638-V663 HydrophobicContact CG-CG2 3.89Å; Y638-T666 HydrophobicContact CD2-CG2 3.81Å; Y638-T666 HydrophobicContact CE2-CG2 3.26Å
639C98.3Very high90.9Very high0 Ų037.5 Ų37.50%023%0.231CC..EExtended strand (participates in β ladder)trans-128136.2-180-63.60000110.4H281 W647 V648H281-C639 HydrophobicContact CB-CB 3.72Å; H281-C639 VanDerWaalsContact CG-CB 3.41Å; C639-W647 VanDerWaalsContact C-CE3 3.42Å; C639-V648 PolarHBondContact N-O 3.5Å; C639-V648 PolarHBondContact O-N 3.43Å
640Y97.7Very high92.2Very high86 Ų8636.6 Ų36.634%0.33722%0.222SC..EExtended strand (participates in β ladder)trans-80122.2169.6-174.2-109.1000109.9S620 T642 W647S620-Y640 PolarHBondContact O-N 3.19Å; Y640-T642 HydrophobicContact CD1-CG2 4.21Å; Y640-T642 PolarHBondContact O-N 3.41Å; Y640-W647 AromaticContact CD2-CD1 3.92Å; Y640-W647 HydrophobicContact CD2-CD2 4.16Å; Y640-W647 AromaticContact CD2-CE2 3.88Å; Y640-W647 HydrophobicContact CD2-CG 4.18Å; Y640-W647 HydrophobicContact CD2-CZ2 4.43Å; Y640-W647 AromaticContact CD2-NE1 3.71Å
641N95.6Very high93.4Very high1 Ų134 Ų341%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-87.5105.6176.7-172.2-32.7000109.9P258 E643 G644 G645 F646 V648P258-N641 PolarHBondContact O-ND2 2.91Å; N641-E643 VanDerWaalsContact C-N 3.26Å; N641-E643 PolarHBondContact O-N 3.49Å; N641-E643 PolarHBondContact OD1-N 3.15Å; N641-G644 PolarHBondContact O-N 2.83Å; N641-G644 PolarHBondContact OD1-N 3.13Å; N641-G645 PolarHBondContact O-N 2.96Å; N641-F646 HydrophobicContact CB-CD2 4.39Å; N641-F646 HydrophobicContact CB-CE2 4.24Å; N641-F646 WeakPolarHBondContact CB-O 3.49Å; N641-F646 PolarHBondContact N-O 3.4Å; N641-V648 HydrophobicContact CB-CG2 4.39Å
642T91.6Very high94.7Very high53 Ų5331.7 Ų31.733%0.32519%0.185SC..THydrogen-bonded Turntrans-66.2-23.1-177.863.20000114.4Q283 R286 Y640Q283-T642 HydrophobicContact CB-CG2 4.14Å; R286-T642 PolarHBondContact NH2-OG1 3.46Å; R286-T642 VanDerWaalsContact NH2-OG1 3.16Å; Y640-T642 HydrophobicContact CD1-CG2 4.21Å; Y640-T642 PolarHBondContact O-N 3.41Å
643E87.4Confident95.2Very high111 Ų11130.7 Ų30.752%0.51918%0.178SC..THydrogen-bonded Turntrans-89.8-29.7177.7-68.6172.8-148.300111.7P258 R286 W387 N641P258-E643 WeakPolarHBondContact CB-OE2 3.48Å; R286-E643 IonicContact CZ-OE1 3.84Å; R286-E643 IonicContact NE-OE1 2.6Å; R286-E643 IonicContact NH2-OE1 2.81Å; R286-E643 PolarHBondContact NH2-OE1 3.33Å; W387-E643 VanDerWaalsContact CE3-OE1 3.29Å; W387-E643 HydrophobicContact CZ3-CB 4.19Å; W387-E643 HydrophobicContact CZ3-CG 4Å; W387-E643 WeakPolarHBondContact CZ3-OE1 3.47Å; N641-E643 VanDerWaalsContact C-N 3.26Å; N641-E643 PolarHBondContact O-N 3.49Å; N641-E643 PolarHBondContact OD1-N 3.15Å
644G86.6Confident95.4Very high38 Ų3833.8 Ų33.839%0.39219%0.187SC..THydrogen-bonded Turntrans-87.8-27.5177.700000114.9N641 F646N641-G644 PolarHBondContact O-N 2.83Å; N641-G644 PolarHBondContact OD1-N 3.13Å; G644-F646 VanDerWaalsContact C-CD1 3.45Å; G644-F646 VanDerWaalsContact CA-CE1 3.43Å; G644-F646 WeakPolarHBondContact O-CD1 3.32Å
645G93Very high95.3Very high48 Ų4833.1 Ų33.150%0.49519%0.185SC..THydrogen-bonded Turntrans74.523.5-173.800000114.4N641N641-G645 PolarHBondContact O-N 2.96Å
646F95.1Very high95.1Very high56 Ų5637.2 Ų37.225%0.24620%0.203CC..EExtended strand (participates in β ladder)trans-140.4159-176.355.2-102.6000113A257 V260 N641 G644 V648 V657A257-F646 HydrophobicContact CB-CZ 4.35Å; V260-F646 HydrophobicContact CG2-CE2 3.92Å; V260-F646 HydrophobicContact CG2-CZ 3.99Å; N641-F646 HydrophobicContact CB-CD2 4.39Å; N641-F646 HydrophobicContact CB-CE2 4.24Å; N641-F646 WeakPolarHBondContact CB-O 3.49Å; N641-F646 PolarHBondContact N-O 3.4Å; G644-F646 VanDerWaalsContact C-CD1 3.45Å; G644-F646 VanDerWaalsContact CA-CE1 3.43Å; G644-F646 WeakPolarHBondContact O-CD1 3.32Å; F646-V648 HydrophobicContact CD2-CG2 3.58Å; F646-V648 HydrophobicContact CE2-CG2 3.44Å; F646-V648 VanDerWaalsContact CE2-CG2 3.44Å; F646-V657 HydrophobicContact CB-CG1 4.23Å; F646-V657 HydrophobicContact CD2-CG1 4.14Å; F646-V657 HydrophobicContact CD2-CG2 4.02Å; F646-V657 HydrophobicContact CE2-CG2 4.04Å; F646-V657 HydrophobicContact CG-CG1 4.33Å
647W97.7Very high94.9Very high12 Ų1241.9 Ų41.95%0.04523%0.231CC..EExtended strand (participates in β ladder)trans-83.6141.1173.6-76.896000111.7L619 C639 Y640 V657 C658 V663L619-W647 HydrophobicContact CB-CH2 4.39Å; L619-W647 HydrophobicContact CB-CZ2 4.38Å; L619-W647 HydrophobicContact CD2-CH2 3.91Å; L619-W647 HydrophobicContact CD2-CZ2 4.1Å; L619-W647 HydrophobicContact CG-CH2 3.86Å; L619-W647 HydrophobicContact CG-CZ2 4.24Å; L619-W647 WeakPolarHBondContact O-CH2 3.27Å; L619-W647 VanDerWaalsContact O-CZ2 3.29Å; L619-W647 WeakPolarHBondContact O-CZ2 3.47Å; C639-W647 VanDerWaalsContact C-CE3 3.42Å; Y640-W647 AromaticContact CD2-CD1 3.92Å; Y640-W647 HydrophobicContact CD2-CD2 4.16Å; Y640-W647 AromaticContact CD2-CE2 3.88Å; Y640-W647 HydrophobicContact CD2-CG 4.18Å; Y640-W647 HydrophobicContact CD2-CZ2 4.43Å; Y640-W647 AromaticContact CD2-NE1 3.71Å; W647-V657 WeakPolarHBondContact O-CA 3.41Å; W647-C658 VanDerWaalsContact CB-SG 3.57Å; W647-C658 PolarHBondContact O-N 3.19Å; W647-C658 PolarHBondContact O-SG 3.27Å; W647-C658 VanDerWaalsContact O-SG 3.4Å; W647-V663 HydrophobicContact CB-CG2 4.18Å; W647-V663 HydrophobicContact CD2-CG2 3.79Å; W647-V663 HydrophobicContact CE3-CG1 4.21Å; W647-V663 HydrophobicContact CE3-CG2 3.76Å; W647-V663 HydrophobicContact CG-CG2 3.98Å; W647-V663 HydrophobicContact CH2-CG1 4.23Å; W647-V663 HydrophobicContact CZ3-CG1 4.04Å; W647-V663 HydrophobicContact CZ3-CG2 4.41Å
648V97.1Very high94.8Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-126.9126.2176.9-170.80000110.2V260 Y638 C639 N641 F646 M655 K656V260-V648 HydrophobicContact CG2-CG2 4.38Å; Y638-V648 CarbonylContact C-O 3.57Å; Y638-V648 WeakPolarHBondContact CA-O 3.43Å; C639-V648 PolarHBondContact N-O 3.5Å; C639-V648 PolarHBondContact O-N 3.43Å; N641-V648 HydrophobicContact CB-CG2 4.39Å; F646-V648 HydrophobicContact CD2-CG2 3.58Å; F646-V648 HydrophobicContact CE2-CG2 3.44Å; F646-V648 VanDerWaalsContact CE2-CG2 3.44Å; V648-M655 HydrophobicContact CG1-CB 4.23Å; V648-M655 HydrophobicContact CG1-CE 3.94Å; V648-K656 CarbonylContact C-O 3.54Å; V648-K656 WeakPolarHBondContact CA-O 3.42Å
649H98.2Very high94.7Very high26 Ų2644.7 Ų44.712%0.1225%0.252CS..EExtended strand (participates in β ladder)trans-82.9115.5165.3-173.3-169.8000109.2Y638 M655 K656Y638-H649 HydrophobicContact CD1-CB 3.73Å; Y638-H649 HydrophobicContact CE1-CB 3.44Å; Y638-H649 VanDerWaalsContact CE1-CB 3.44Å; Y638-H649 AromaticContact CE1-CG 3.62Å; Y638-H649 AromaticContact CZ-CD2 3.99Å; Y638-H649 AromaticContact CZ-CG 3.74Å; Y638-H649 AromaticContact CZ-ND1 3.87Å; H649-M655 WeakPolarHBondContact O-CA 3.3Å; H649-K656 HydrophobicContact CB-CB 4.35Å; H649-K656 PolarHBondContact N-O 3.5Å; H649-K656 PolarHBondContact O-N 3.41Å
650C97.9Very high94.6Very high2 Ų246.3 Ų46.31%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-100.6104179-48.90000109.4Q277 A637 M655Q277-C650 HydrophobicContact CB-CB 4.06Å; Q277-C650 HydrophobicContact CG-CB 3.8Å; A637-C650 HydrophobicContact CB-CB 4.47Å; A637-C650 PolarHBondContact N-O 3.37Å; A637-C650 WeakPolarHBondContact O-CA 3.45Å; A637-C650 WeakPolarHBondContact O-CB 3.27Å; A637-C650 PolarHBondContact O-N 3.23Å; C650-M655 HydrophobicContact CB-CE 4.19Å; C650-M655 HydrophobicContact CB-SD 3.9Å; C650-M655 WeakPolarHBondContact SG-CE 3.32Å
651N97.3Very high94.5Very high43 Ų4347.7 Ų47.723%0.2327%0.272CS..EExtended strand (participates in β ladder)trans-116.876.9-179.917730.6000109.5H634 T636 S653 E654H634-N651 PolarHBondContact NE2-OD1 3.37Å; T636-N651 HydrophobicContact CG2-CB 4.04Å; T636-N651 WeakPolarHBondContact CG2-OD1 3.46Å; N651-S653 PolarHBondContact O-N 3.4Å; N651-E654 HydrophobicContact CB-CB 4.28Å; N651-E654 PolarHBondContact N-O 2.72Å; N651-E654 PolarHBondContact ND2-OE2 3.38Å; N651-E654 VanDerWaalsContact ND2-OE2 3.09Å; N651-E654 PolarHBondContact O-N 2.91Å
652D96.9Very high94.5Very high18 Ų1851.9 Ų51.910%0.09629%0.291CS..THydrogen-bonded Turntrans48.1-104.5-167.5-70-46.7000111.5G262 L263 N265 N273 H634G262-D652 CarbonylContact C-O 3.49Å; G262-D652 VanDerWaalsContact CA-O 3.26Å; G262-D652 WeakPolarHBondContact CA-O 3.44Å; L263-D652 PolarHBondContact N-O 3.33Å; L263-D652 CarbonylContact O-C 3.55Å; L263-D652 WeakPolarHBondContact O-CA 3.21Å; L263-D652 WeakPolarHBondContact O-CB 3.17Å; N265-D652 HydrophobicContact CB-CB 4.08Å; N265-D652 WeakPolarHBondContact CB-OD2 3.28Å; N265-D652 PolarHBondContact ND2-OD2 2.98Å; N273-D652 VanDerWaalsContact CB-OD1 3.32Å; N273-D652 WeakPolarHBondContact CB-OD1 3.23Å; N273-D652 PolarHBondContact ND2-OD1 3.4Å; H634-D652 IonicContact CE1-OD2 2.69Å; H634-D652 PolarHBondContact CE1-OD2 2.82Å; H634-D652 VanDerWaalsContact CE1-OD2 3.28Å
653S92.8Very high94.7Very high52 Ų5249.4 Ų49.436%0.36428%0.276SS..THydrogen-bonded Turntrans-85.5-11.4-174.8-53.50000113.3L263 R264 L393 N651L263-S653 WeakPolarHBondContact O-CA 3.43Å; L263-S653 PolarHBondContact O-N 3.2Å; L263-S653 PolarHBondContact O-OG 3.48Å; R264-S653 WeakPolarHBondContact CA-OG 3.49Å; L393-S653 WeakPolarHBondContact CD1-OG 3.49Å; N651-S653 PolarHBondContact O-N 3.4Å
654E92.1Very high95.1Very high83 Ų8345.3 Ų45.339%0.38826%0.26SS..EExtended strand (participates in β ladder)trans-100.4126.1179.2-173.7-177.7-131.500109.9N651 K656N651-E654 HydrophobicContact CB-CB 4.28Å; N651-E654 PolarHBondContact N-O 2.72Å; N651-E654 PolarHBondContact ND2-OE2 3.38Å; N651-E654 VanDerWaalsContact ND2-OE2 3.09Å; N651-E654 PolarHBondContact O-N 2.91Å; E654-K656 HydrophobicContact CG-CD 4.48Å; E654-K656 HydrophobicContact CG-CG 4.44Å; E654-K656 WeakPolarHBondContact OE1-CE 3.42Å; E654-K656 IonicContact OE1-NZ 2.82Å; E654-K656 PolarHBondContact OE1-NZ 3.21Å; E654-K656 IonicContact OE2-NZ 3.92Å; E654-K656 PolarHBondContact OE2-NZ 3.36Å
655M93Very high95.4Very high39 Ų3949.2 Ų49.219%0.19227%0.271CS..EExtended strand (participates in β ladder)trans-120.4126.1178.1-55.6-65.6-8400108.6V260 V648 H649 C650V260-M655 HydrophobicContact CG1-CB 3.92Å; V648-M655 HydrophobicContact CG1-CB 4.23Å; V648-M655 HydrophobicContact CG1-CE 3.94Å; H649-M655 WeakPolarHBondContact O-CA 3.3Å; C650-M655 HydrophobicContact CB-CE 4.19Å; C650-M655 HydrophobicContact CB-SD 3.9Å; C650-M655 WeakPolarHBondContact SG-CE 3.32Å
656K93.4Very high95.5Very high100 Ų10047.5 Ų47.544%0.43525%0.251SS..EExtended strand (participates in β ladder)trans-128.7133179.9-73.6169.6176.5151.20110.7V648 H649 E654V648-K656 CarbonylContact C-O 3.54Å; V648-K656 WeakPolarHBondContact CA-O 3.42Å; H649-K656 HydrophobicContact CB-CB 4.35Å; H649-K656 PolarHBondContact N-O 3.5Å; H649-K656 PolarHBondContact O-N 3.41Å; E654-K656 HydrophobicContact CG-CD 4.48Å; E654-K656 HydrophobicContact CG-CG 4.44Å; E654-K656 WeakPolarHBondContact OE1-CE 3.42Å; E654-K656 IonicContact OE1-NZ 2.82Å; E654-K656 PolarHBondContact OE1-NZ 3.21Å; E654-K656 IonicContact OE2-NZ 3.92Å; E654-K656 PolarHBondContact OE2-NZ 3.36Å
657V94.7Very high95.4Very high100 Ų10048.7 Ų48.761%0.60626%0.257SS*.EExtended strand (participates in β ladder)trans-72.1140.4167.9-178.10000108.3F646 W647F646-V657 HydrophobicContact CB-CG1 4.23Å; F646-V657 HydrophobicContact CD2-CG1 4.14Å; F646-V657 HydrophobicContact CD2-CG2 4.02Å; F646-V657 HydrophobicContact CE2-CG2 4.04Å; F646-V657 HydrophobicContact CG-CG1 4.33Å; W647-V657 WeakPolarHBondContact O-CA 3.41Å
658C95.7Very high95.4Very high17 Ų1748.1 Ų48.112%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-142.5167.8-174.249.60000110.3Y638 W647 E662Y638-C658 HydrophobicContact CD1-CB 4.46Å; Y638-C658 WeakPolarHBondContact CD1-SG 3.23Å; Y638-C658 HydrophobicContact CE1-CB 4.05Å; W647-C658 VanDerWaalsContact CB-SG 3.57Å; W647-C658 PolarHBondContact O-N 3.19Å; W647-C658 PolarHBondContact O-SG 3.27Å; W647-C658 VanDerWaalsContact O-SG 3.4Å; C658-E662 WeakPolarHBondContact CB-OE2 3.44Å
659S96.4Very high95.4Very high54 Ų5448.3 Ų48.338%0.37826%0.256SS..  trans-96.1162.8177.988.70000111.8E661 E662 V663S659-E661 VanDerWaalsContact C-N 3.25Å; S659-E661 WeakPolarHBondContact CB-OE2 3.3Å; S659-E661 PolarHBondContact O-N 3.49Å; S659-E661 PolarHBondContact OG-N 3.41Å; S659-E661 PolarHBondContact OG-OE2 3.01Å; S659-E662 WeakPolarHBondContact O-CB 3.36Å; S659-E662 PolarHBondContact O-N 3.18Å; S659-E662 PolarHBondContact OG-N 3.3Å; S659-V663 WeakPolarHBondContact O-CG2 3.4Å; S659-V663 PolarHBondContact O-N 3.47Å
660V95.5Very high95.4Very high34 Ų3447.2 Ų47.221%0.20625%0.251CS..Hα-helixtrans-68.1-28.5179.466.90000112.1Q594 V663 C664Q594-V660 HydrophobicContact CB-CG2 4.11Å; Q594-V660 HydrophobicContact CG-CG2 4.11Å; V660-V663 WeakPolarHBondContact O-CB 3.34Å; V660-V663 PolarHBondContact O-N 2.82Å; V660-C664 PolarHBondContact O-N 3.41Å; V660-C664 PolarHBondContact O-SG 2.92Å
661E95.6Very high95.4Very high115 Ų11547.1 Ų47.154%0.53725%0.25SS..Hα-helixtrans-67.1-40174.4-53.775.4-166.300111S659 V663 C664 N665S659-E661 VanDerWaalsContact C-N 3.25Å; S659-E661 WeakPolarHBondContact CB-OE2 3.3Å; S659-E661 PolarHBondContact O-N 3.49Å; S659-E661 PolarHBondContact OG-N 3.41Å; S659-E661 PolarHBondContact OG-OE2 3.01Å; E661-V663 VanDerWaalsContact C-N 3.33Å; E661-C664 PolarHBondContact O-N 2.91Å; E661-N665 PolarHBondContact O-N 2.87Å; E661-N665 PolarHBondContact O-ND2 3.1Å
662E95.8Very high95.5Very high89 Ų8945.1 Ų45.142%0.41624%0.24SC..Hα-helixtrans-58.6-48.2171.9-172.9-177.7162.300110Y638 C658 S659 C664 N665 T666Y638-E662 HydrophobicContact CE1-CG 4.43Å; Y638-E662 PolarHBondContact OH-OE1 2.84Å; C658-E662 WeakPolarHBondContact CB-OE2 3.44Å; S659-E662 WeakPolarHBondContact O-CB 3.36Å; S659-E662 PolarHBondContact O-N 3.18Å; S659-E662 PolarHBondContact OG-N 3.3Å; E662-C664 PolarHBondContact O-N 3.5Å; E662-N665 PolarHBondContact O-N 3.1Å; E662-T666 WeakPolarHBondContact O-CG2 3.47Å
663V96.7Very high95.5Very high0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-59.2-47.9179.7178.80000111.9F592 L619 V622 Y638 W647 S659 V660 E661 N665 T666F592-V663 VanDerWaalsContact CZ-O 3.31Å; F592-V663 WeakPolarHBondContact CZ-O 3.17Å; L619-V663 HydrophobicContact CD2-CG1 3.82Å; V622-V663 HydrophobicContact CB-CG1 4.48Å; V622-V663 HydrophobicContact CG2-CG1 3.61Å; Y638-V663 HydrophobicContact CD1-CG2 3.63Å; Y638-V663 HydrophobicContact CE1-CG2 4.26Å; Y638-V663 HydrophobicContact CG-CG1 4.47Å; Y638-V663 HydrophobicContact CG-CG2 3.89Å; W647-V663 HydrophobicContact CB-CG2 4.18Å; W647-V663 HydrophobicContact CD2-CG2 3.79Å; W647-V663 HydrophobicContact CE3-CG1 4.21Å; W647-V663 HydrophobicContact CE3-CG2 3.76Å; W647-V663 HydrophobicContact CG-CG2 3.98Å; W647-V663 HydrophobicContact CH2-CG1 4.23Å; W647-V663 HydrophobicContact CZ3-CG1 4.04Å; W647-V663 HydrophobicContact CZ3-CG2 4.41Å; S659-V663 WeakPolarHBondContact O-CG2 3.4Å; S659-V663 PolarHBondContact O-N 3.47Å; V660-V663 WeakPolarHBondContact O-CB 3.34Å; V660-V663 PolarHBondContact O-N 2.82Å; E661-V663 VanDerWaalsContact C-N 3.33Å; V663-N665 VanDerWaalsContact C-N 3.29Å; V663-N665 PolarHBondContact O-N 2.95Å; V663-T666 WeakPolarHBondContact O-CB 3.38Å; V663-T666 WeakPolarHBondContact O-CG2 3.13Å; V663-T666 PolarHBondContact O-N 2.8Å; V663-T666 PolarHBondContact O-OG1 3.17Å
664C95.5Very high95.6Very high26 Ų2643.6 Ų43.618%0.17623%0.229CC..Hα-helixtrans-68.1-25.6-177.7-63.80000113.2H589 V660 E661 E662 T666H589-C664 PolarHBondContact CE1-O 3.36Å; V660-C664 PolarHBondContact O-N 3.41Å; V660-C664 PolarHBondContact O-SG 2.92Å; E661-C664 PolarHBondContact O-N 2.91Å; E662-C664 PolarHBondContact O-N 3.5Å; C664-T666 VanDerWaalsContact C-N 3.26Å; C664-T666 PolarHBondContact O-N 3.06Å
665N93.8Very high95.7Very high120 Ų12041.2 Ų41.264%0.64222%0.218SC*.THydrogen-bonded Turntrans-80.40.6176.8-77.7-63.6000114.1E661 E662 V663E661-N665 PolarHBondContact O-N 2.87Å; E661-N665 PolarHBondContact O-ND2 3.1Å; E662-N665 PolarHBondContact O-N 3.1Å; V663-N665 VanDerWaalsContact C-N 3.29Å; V663-N665 PolarHBondContact O-N 2.95Å
666T94Very high95.4Very high11 Ų1144.5 Ų44.57%0.06723%0.228CC..SBendtrans-74.9162.2-173.860.10000114.7H589 F592 M624 Y638 E662 V663 C664 A668H589-T666 PolarHBondContact CE1-O 3.28Å; H589-T666 VanDerWaalsContact CE1-O 3.31Å; H589-T666 PolarHBondContact ND1-O 2.95Å; F592-T666 WeakPolarHBondContact CZ-OG1 3.25Å; M624-T666 VanDerWaalsContact SD-CB 3.51Å; M624-T666 HydrophobicContact SD-CG2 3.58Å; M624-T666 VanDerWaalsContact SD-CG2 3.58Å; Y638-T666 HydrophobicContact CD2-CG2 3.81Å; Y638-T666 HydrophobicContact CE2-CG2 3.26Å; E662-T666 WeakPolarHBondContact O-CG2 3.47Å; V663-T666 WeakPolarHBondContact O-CB 3.38Å; V663-T666 WeakPolarHBondContact O-CG2 3.13Å; V663-T666 PolarHBondContact O-N 2.8Å; V663-T666 PolarHBondContact O-OG1 3.17Å; C664-T666 VanDerWaalsContact C-N 3.26Å; C664-T666 PolarHBondContact O-N 3.06Å; T666-A668 VanDerWaalsContact C-N 3.27Å; T666-A668 PolarHBondContact O-N 2.74Å; T666-A668 VanDerWaalsContact O-N 3.14Å
667Q93.6Very high94.3Very high81 Ų8144.3 Ų44.338%0.37924%0.239SC..  trans-85.868.3167.1-62.9-153.9-19.800110.9G587 Y669G587-Q667 PolarHBondContact O-NE2 3.47Å; Q667-Y669 PolarHBondContact O-N 3.46Å
668A96.9Very high92Very high0 Ų047.2 Ų47.20%027%0.274CS..EExtended strand (participates in β ladder)trans-51.1133.8179.200000112.6L572 R574 F592 V622 T666 L671L572-A668 HydrophobicContact CD1-CB 4.48Å; R574-A668 PolarHBondContact NE-O 3.06Å; R574-A668 PolarHBondContact NH2-O 3.37Å; F592-A668 HydrophobicContact CD1-CB 4.16Å; F592-A668 HydrophobicContact CE1-CB 3.48Å; F592-A668 VanDerWaalsContact CE1-CB 3.48Å; F592-A668 HydrophobicContact CZ-CB 3.99Å; V622-A668 HydrophobicContact CG1-CB 3.5Å; T666-A668 VanDerWaalsContact C-N 3.27Å; T666-A668 PolarHBondContact O-N 2.74Å; T666-A668 VanDerWaalsContact O-N 3.14Å; A668-L671 HydrophobicContact CB-CD1 4.5Å; A668-L671 HydrophobicContact CB-CD2 3.57Å; A668-L671 HydrophobicContact CB-CG 3.97Å
669Y97.4Very high91.8Very high5 Ų548.8 Ų48.82%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-105.5-44.3172.9179.3-124.2000111.1D417 A418 Q419 H571 L572 R574 F575 V623 H625 Y635 Q667D417-Y669 PolarHBondContact OD1-OH 3.09Å; D417-Y669 PolarHBondContact OD2-OH 2.98Å; D417-Y669 VanDerWaalsContact OD2-OH 3.07Å; A418-Y669 HydrophobicContact CB-CE1 4.49Å; Q419-Y669 HydrophobicContact CB-CE1 4.32Å; H571-Y669 AromaticContact CD2-CE2 3.58Å; H571-Y669 AromaticContact CD2-CZ 3.7Å; H571-Y669 AromaticContact NE2-CE2 3.35Å; H571-Y669 VanDerWaalsContact NE2-CE2 3.35Å; H571-Y669 WeakPolarHBondContact NE2-CE2 3.13Å; H571-Y669 AromaticContact NE2-CZ 3.44Å; H571-Y669 PolarHBondContact NE2-OH 2.8Å; L572-Y669 PolarHBondContact N-O 3.32Å; R574-Y669 HydrophobicContact CB-CD2 4.45Å; R574-Y669 HydrophobicContact CG-CD2 4.42Å; F575-Y669 HydrophobicContact CD2-CE2 4.25Å; F575-Y669 HydrophobicContact CE2-CE2 4.07Å; V623-Y669 WeakPolarHBondContact O-CA 3.46Å; V623-Y669 WeakPolarHBondContact O-CB 3.46Å; V623-Y669 PolarHBondContact O-N 2.91Å; H625-Y669 HydrophobicContact CB-CG 4.32Å; Y635-Y669 HydrophobicContact CD1-CD1 4.46Å; Y635-Y669 AromaticContact CE1-CD1 3.69Å; Y635-Y669 HydrophobicContact CE1-CD1 3.69Å; Y635-Y669 AromaticContact CE1-CE1 3.89Å; Y635-Y669 HydrophobicContact CE1-CE1 3.89Å; Q667-Y669 PolarHBondContact O-N 3.46Å
670I98.4Very high91.6Very high2 Ų248.5 Ų48.51%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-130.5130.2171.3-44171.6000108.3I275 Q419 L570 V622 V623 F672I275-I670 HydrophobicContact CD1-CD1 4.26Å; Q419-I670 HydrophobicContact CB-CD1 3.83Å; Q419-I670 HydrophobicContact CB-CG1 4.46Å; L570-I670 WeakPolarHBondContact O-CA 3.46Å; V622-I670 WeakPolarHBondContact CA-O 3.14Å; V623-I670 HydrophobicContact CB-CB 4.08Å; V623-I670 HydrophobicContact CB-CD1 4.44Å; V623-I670 HydrophobicContact CB-CG1 4.33Å; V623-I670 HydrophobicContact CG2-CB 4.41Å; V623-I670 PolarHBondContact N-O 3.47Å; V623-I670 PolarHBondContact O-N 3.24Å; I670-F672 HydrophobicContact CB-CE2 3.91Å; I670-F672 HydrophobicContact CG2-CD2 4.14Å; I670-F672 HydrophobicContact CG2-CE2 3.49Å; I670-F672 VanDerWaalsContact CG2-CE2 3.49Å; I670-F672 HydrophobicContact CG2-CZ 3.92Å
671L98.6Very high91.4Very high0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-106.6136.5174.9-63.2164.5000109.6L515 R569 L570 F592 L619 V622 A668 Y673L515-L671 HydrophobicContact CD1-CD1 3.75Å; L515-L671 HydrophobicContact CD2-CD1 3.84Å; L515-L671 HydrophobicContact CG-CD1 4.38Å; R569-L671 WeakPolarHBondContact CA-O 3.49Å; L570-L671 HydrophobicContact CB-CB 4.29Å; L570-L671 PolarHBondContact N-O 2.9Å; L570-L671 PolarHBondContact O-N 3.02Å; F592-L671 HydrophobicContact CB-CD1 4.19Å; F592-L671 HydrophobicContact CD1-CD1 4.19Å; F592-L671 HydrophobicContact CD1-CD2 3.99Å; F592-L671 HydrophobicContact CD2-CD2 3.76Å; F592-L671 HydrophobicContact CE1-CD2 3.96Å; F592-L671 HydrophobicContact CE2-CD2 3.7Å; F592-L671 HydrophobicContact CG-CD1 4.07Å; F592-L671 HydrophobicContact CG-CD2 3.91Å; F592-L671 HydrophobicContact CZ-CD2 3.8Å; L619-L671 HydrophobicContact CD1-CD2 3.96Å; V622-L671 HydrophobicContact CB-CD2 4.4Å; V622-L671 HydrophobicContact CG1-CD2 3.97Å; V622-L671 HydrophobicContact CG2-CD2 3.84Å; A668-L671 HydrophobicContact CB-CD1 4.5Å; A668-L671 HydrophobicContact CB-CD2 3.57Å; A668-L671 HydrophobicContact CB-CG 3.97Å; L671-Y673 HydrophobicContact CB-CD2 4.13Å; L671-Y673 HydrophobicContact CB-CE2 3.82Å; L671-Y673 HydrophobicContact CD1-CE2 4.21Å; L671-Y673 HydrophobicContact CG-CE2 4.48Å
672F98.3Very high91.1Very high1 Ų145.4 Ų45.40%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-118.5117.4176.9-65.4-107.3000108.9V278 L282 L422 V567 R569 S620 A621 V623 I670V278-F672 HydrophobicContact CG1-CD1 3.72Å; V278-F672 HydrophobicContact CG1-CD2 3.84Å; V278-F672 HydrophobicContact CG1-CE1 3.66Å; V278-F672 HydrophobicContact CG1-CE2 3.81Å; V278-F672 HydrophobicContact CG1-CG 3.8Å; V278-F672 HydrophobicContact CG1-CZ 3.71Å; V278-F672 HydrophobicContact CG2-CE2 4.41Å; L282-F672 HydrophobicContact CD1-CD1 4.21Å; L422-F672 HydrophobicContact CD2-CE1 4.01Å; L422-F672 HydrophobicContact CD2-CZ 3.61Å; V567-F672 HydrophobicContact CG1-CD1 4.25Å; R569-F672 HydrophobicContact CG-CD1 3.74Å; R569-F672 HydrophobicContact CG-CE1 3.8Å; S620-F672 PolarHBondContact N-O 3.27Å; A621-F672 HydrophobicContact CB-CB 4.04Å; A621-F672 HydrophobicContact CB-CD2 4.2Å; A621-F672 HydrophobicContact CB-CG 4.31Å; A621-F672 PolarHBondContact N-O 3.38Å; A621-F672 PolarHBondContact O-N 3.21Å; V623-F672 HydrophobicContact CG2-CE2 3.86Å; I670-F672 HydrophobicContact CB-CE2 3.91Å; I670-F672 HydrophobicContact CG2-CD2 4.14Å; I670-F672 HydrophobicContact CG2-CE2 3.49Å; I670-F672 VanDerWaalsContact CG2-CE2 3.49Å; I670-F672 HydrophobicContact CG2-CZ 3.92Å
673Y97.6Very high90.9Very high1 Ų142.7 Ų42.70%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-115.7125.1-178.5-83.4-79.2000108.6L515 V567 L568 L570 D593 L596 Y617 D618 L619 L671L515-Y673 HydrophobicContact CD2-CE2 3.77Å; V567-Y673 CarbonylContact C-O 3.59Å; V567-Y673 VanDerWaalsContact CA-O 3.28Å; V567-Y673 WeakPolarHBondContact CA-O 3.33Å; L568-Y673 PolarHBondContact N-O 3.43Å; L568-Y673 PolarHBondContact O-N 2.83Å; L570-Y673 HydrophobicContact CD1-CD2 4.02Å; L570-Y673 HydrophobicContact CD1-CE2 4.1Å; D593-Y673 PolarHBondContact O-OH 2.6Å; L596-Y673 HydrophobicContact CB-CD1 3.75Å; L596-Y673 HydrophobicContact CB-CE1 3.56Å; L596-Y673 HydrophobicContact CB-CG 4.37Å; L596-Y673 HydrophobicContact CD2-CD1 4.34Å; L596-Y673 HydrophobicContact CD2-CD2 3.95Å; L596-Y673 HydrophobicContact CD2-CE1 4.39Å; L596-Y673 HydrophobicContact CD2-CE2 3.98Å; L596-Y673 HydrophobicContact CD2-CG 4.13Å; Y617-Y673 WeakPolarHBondContact CD1-O 3.45Å; D618-Y673 CarbonylContact O-C 3.52Å; D618-Y673 WeakPolarHBondContact O-CA 3.44Å; L619-Y673 HydrophobicContact CB-CD1 4.15Å; L619-Y673 HydrophobicContact CB-CE1 3.73Å; L619-Y673 HydrophobicContact CD1-CD1 4.3Å; L619-Y673 HydrophobicContact CD1-CD2 4.27Å; L619-Y673 HydrophobicContact CD1-CE1 3.81Å; L619-Y673 HydrophobicContact CD1-CE2 3.79Å; L619-Y673 HydrophobicContact CD1-CG 4.5Å; L619-Y673 HydrophobicContact CG-CE1 4.39Å; L671-Y673 HydrophobicContact CB-CD2 4.13Å; L671-Y673 HydrophobicContact CB-CE2 3.82Å; L671-Y673 HydrophobicContact CD1-CE2 4.21Å; L671-Y673 HydrophobicContact CG-CE2 4.48Å
674T95.6Very high90.5Very high38 Ų3845.5 Ų45.523%0.23327%0.273CS..EExtended strand (participates in β ladder)trans-99.7134.1175.5-580000110Q566 V567 Y617 D618 S620 R676Q566-T674 WeakPolarHBondContact O-CA 3.46Å; V567-T674 HydrophobicContact CG2-CG2 4.35Å; Y617-T674 CarbonylContact C-O 2.88Å; Y617-T674 VanDerWaalsContact CA-O 3.29Å; Y617-T674 WeakPolarHBondContact CA-O 3.37Å; Y617-T674 VanDerWaalsContact CD1-C 3.41Å; D618-T674 PolarHBondContact N-O 3.02Å; D618-T674 PolarHBondContact O-N 3.2Å; S620-T674 WeakPolarHBondContact OG-CB 2.95Å; S620-T674 PolarHBondContact OG-N 3.28Å; S620-T674 PolarHBondContact OG-OG1 3Å; T674-R676 PolarHBondContact O-N 2.96Å
675Q92.8Very high90.1Very high33 Ų3346.9 Ų46.915%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-61.8128.7179.3-168.2176.433.100110.3Q566 G614 Y617 S677Q566-Q675 PolarHBondContact O-N 3.21Å; G614-Q675 WeakPolarHBondContact O-CG 3.25Å; G614-Q675 PolarHBondContact O-NE2 2.78Å; Y617-Q675 VanDerWaalsContact CD1-CA 3.49Å; Y617-Q675 HydrophobicContact CD1-CB 4.02Å; Y617-Q675 HydrophobicContact CE1-CB 3.58Å; Y617-Q675 HydrophobicContact CE1-CG 4.24Å; Y617-Q675 HydrophobicContact CE2-CB 4.31Å; Y617-Q675 HydrophobicContact CE2-CG 4.1Å; Q675-S677 PolarHBondContact O-N 2.93Å
676R88.1Confident89.8Confident108 Ų10841.3 Ų41.341%0.40825%0.252SS..PPolyproline II helixtrans-59.5127.6171.3-77.8-173.5178.3-179.6-0.5109.1V595 T616 D618 T674V595-R676 VanDerWaalsContact CG2-NH2 3.26Å; T616-R676 WeakPolarHBondContact O-CB 3.42Å; T616-R676 PolarHBondContact O-N 2.92Å; D618-R676 IonicContact OD1-CZ 3.13Å; D618-R676 VanDerWaalsContact OD1-CZ 3.23Å; D618-R676 IonicContact OD1-NE 2.82Å; D618-R676 PolarHBondContact OD1-NE 3.41Å; D618-R676 IonicContact OD1-NH2 3.71Å; D618-R676 PolarHBondContact OD1-NH2 3.07Å; D618-R676 WeakPolarHBondContact OD2-CD 3.42Å; D618-R676 WeakPolarHBondContact OD2-CG 3.37Å; D618-R676 IonicContact OD2-CZ 3.23Å; D618-R676 IonicContact OD2-NE 3.72Å; D618-R676 PolarHBondContact OD2-NE 3.24Å; D618-R676 IonicContact OD2-NH2 2.68Å; T674-R676 PolarHBondContact O-N 2.96Å
677S69.6Low89.5Confident95 Ų9543.8 Ų43.866%0.66427%0.268SS*.PPolyproline II helixtrans-73.2128.5166-56.30000106.8Q675Q675-S677 PolarHBondContact O-N 2.93Å
678A46.9Very low89.1Confident162 Ų16240.5 Ų40.5100%1.33926%0.258SS*.  trans-760-179.400000111.5

Retrieved 678 of 678 residues in 609.3 ms (Link to these results)

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