A0A096NWZ9_PAPAN Loading...

NLR family CARD domain-containing protein 4

AlphaFold DB , UniProt , Accession A0A096NWZ9, Species PAPAN (Papio anubis, Olive baboon), Gene NLRC4, Length 1,024 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
1M69.7Low74.2Confident63 Ų6360.6 Ų60.631%0.3130%0.299SS..  0-58.60-159.8176.5-167.300112.4F3 I4 K5 L59 C66M1-F3 PolarHBondContact O-N 3.19Å; M1-I4 PolarHBondContact O-N 2.95Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-K5 PolarHBondContact O-N 3.13Å; M1-K5 VanDerWaalsContact O-N 3.14Å; M1-L59 HydrophobicContact CE-CD2 4.34Å; M1-L59 HydrophobicContact CG-CD2 4.19Å; M1-C66 HydrophobicContact CB-CB 4.36Å
2N73Confident74.5Confident114 Ų11456.3 Ų56.361%0.6128%0.278SS*.Hα-helixtrans-56.4-45.4179.2-66.9-4.2000112.7I4 K5 D6N2-I4 VanDerWaalsContact C-N 3.28Å; N2-I4 PolarHBondContact O-N 2.66Å; N2-K5 WeakPolarHBondContact O-CA 3.33Å; N2-K5 WeakPolarHBondContact O-CB 3.44Å; N2-K5 PolarHBondContact O-N 3.32Å; N2-D6 WeakPolarHBondContact O-CB 3.35Å; N2-D6 PolarHBondContact O-N 3.17Å
3F76.7Confident74.1Confident49 Ų4956.5 Ų56.522%0.21528%0.277CS..Hα-helixtrans-51.6-42.4174.8179.5-86.4000114.1M1 N7 L70 L84 N85M1-F3 PolarHBondContact O-N 3.19Å; F3-N7 WeakPolarHBondContact O-CB 3.07Å; F3-N7 PolarHBondContact O-N 3.21Å; F3-N7 VanDerWaalsContact O-N 3.09Å; F3-N7 PolarHBondContact O-ND2 3.04Å; F3-L70 HydrophobicContact CB-CD1 4.42Å; F3-L70 HydrophobicContact CD1-CD1 3.98Å; F3-L70 HydrophobicContact CD1-CD2 3.38Å; F3-L70 HydrophobicContact CD1-CG 4.34Å; F3-L70 HydrophobicContact CE1-CD2 3.45Å; F3-L70 VanDerWaalsContact CE1-CD2 3.45Å; F3-L70 HydrophobicContact CG-CD1 4.45Å; F3-L84 HydrophobicContact CZ-CB 4.08Å; F3-N85 VanDerWaalsContact CE2-OD1 3.25Å; F3-N85 WeakPolarHBondContact CE2-OD1 3.36Å
4I78.2Confident74Confident1 Ų159.6 Ų59.61%0.00529%0.285CS..Hα-helixtrans-71-39.7178.8-62.3178.2000110.2M1 N2 N7 I8 L11 I55 L59 C66 F69 L70M1-I4 PolarHBondContact O-N 2.95Å; M1-I4 VanDerWaalsContact O-N 3.13Å; N2-I4 VanDerWaalsContact C-N 3.28Å; N2-I4 PolarHBondContact O-N 2.66Å; I4-N7 CarbonylContact O-C 3.13Å; I4-N7 PolarHBondContact O-N 3.39Å; I4-I8 VanDerWaalsContact O-CA 3.26Å; I4-I8 WeakPolarHBondContact O-CA 3.39Å; I4-I8 WeakPolarHBondContact O-CB 3.25Å; I4-I8 PolarHBondContact O-N 2.87Å; I4-L11 HydrophobicContact CB-CD1 4.46Å; I4-L11 HydrophobicContact CG2-CD1 4.06Å; I4-I55 HydrophobicContact CG2-CG2 3.84Å; I4-L59 HydrophobicContact CG2-CD2 4.25Å; I4-L59 HydrophobicContact CG2-CG 4.48Å; I4-C66 HydrophobicContact CD1-CB 3.68Å; I4-F69 HydrophobicContact CD1-CB 4.49Å; I4-F69 HydrophobicContact CD1-CD1 3.6Å; I4-F69 HydrophobicContact CD1-CE1 4.2Å; I4-F69 HydrophobicContact CD1-CG 4.32Å; I4-F69 HydrophobicContact CG1-CD1 4.34Å; I4-L70 HydrophobicContact CD1-CD2 4.33Å; I4-L70 HydrophobicContact CD1-CG 4.13Å; I4-L70 HydrophobicContact CG1-CD1 4.3Å; I4-L70 HydrophobicContact CG1-CD2 3.9Å; I4-L70 HydrophobicContact CG1-CG 4.11Å
5K75.3Confident74.5Confident109 Ų10955.7 Ų55.747%0.47427%0.266SS..Hα-helixtrans-63.4-44.3176.3-69.9-175173.3-173.40111.6M1 N2 N7 I8 L59M1-K5 PolarHBondContact O-N 3.13Å; M1-K5 VanDerWaalsContact O-N 3.14Å; N2-K5 WeakPolarHBondContact O-CA 3.33Å; N2-K5 WeakPolarHBondContact O-CB 3.44Å; N2-K5 PolarHBondContact O-N 3.32Å; K5-N7 VanDerWaalsContact C-N 3.3Å; K5-N7 PolarHBondContact O-N 3.49Å; K5-I8 WeakPolarHBondContact O-CG2 3.46Å; K5-L59 HydrophobicContact CG-CD2 4.03Å
6D74.5Confident74.7Confident128 Ų12853.5 Ų53.568%0.68426%0.263SS*.Hα-helixtrans-69.8-28.4-178.4-60.1-25.2000112N2N2-D6 WeakPolarHBondContact O-CB 3.35Å; N2-D6 PolarHBondContact O-N 3.17Å
7N73.6Confident75Confident39 Ų3952.4 Ų52.421%0.20926%0.257CS..THydrogen-bonded Turntrans-109.911.7-178.1-65.5-75000114.2F3 I4 K5 R9 A10 L11 L84F3-N7 WeakPolarHBondContact O-CB 3.07Å; F3-N7 PolarHBondContact O-N 3.21Å; F3-N7 VanDerWaalsContact O-N 3.09Å; F3-N7 PolarHBondContact O-ND2 3.04Å; I4-N7 CarbonylContact O-C 3.13Å; I4-N7 PolarHBondContact O-N 3.39Å; K5-N7 VanDerWaalsContact C-N 3.3Å; K5-N7 PolarHBondContact O-N 3.49Å; N7-R9 VanDerWaalsContact C-N 3.26Å; N7-R9 PolarHBondContact O-N 3.18Å; N7-R9 VanDerWaalsContact O-N 3.15Å; N7-A10 PolarHBondContact O-N 2.95Å; N7-L11 HydrophobicContact CB-CD1 4.31Å; N7-L11 HydrophobicContact CB-CG 4.41Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 2.81Å; N7-L84 HydrophobicContact CB-CD2 4.4Å
8I78.3Confident75.3Confident38 Ų3855 Ų5520%0.19528%0.277CS..Hα-helixtrans-54-43-170.5-167.3163.5000112.4I4 K5 A10 L11 I12 I55 L59I4-I8 VanDerWaalsContact O-CA 3.26Å; I4-I8 WeakPolarHBondContact O-CA 3.39Å; I4-I8 WeakPolarHBondContact O-CB 3.25Å; I4-I8 PolarHBondContact O-N 2.87Å; K5-I8 WeakPolarHBondContact O-CG2 3.46Å; I8-A10 PolarHBondContact O-N 2.6Å; I8-L11 PolarHBondContact O-N 2.8Å; I8-I12 HydrophobicContact CG1-CD1 3.94Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.38Å; I8-I12 PolarHBondContact O-N 3.49Å; I8-I55 HydrophobicContact CD1-CG2 3.96Å; I8-I55 HydrophobicContact CG1-CG2 4.02Å; I8-L59 HydrophobicContact CD1-CD1 4.11Å
9R66.8Low75.8Confident101 Ų10153.1 Ų53.138%0.38127%0.268SS..Hα-helixtrans-62.7-45.2179.9-171-178.2-171.9161.915.8112.2N7 Q13 D1008 D1009N7-R9 VanDerWaalsContact C-N 3.26Å; N7-R9 PolarHBondContact O-N 3.18Å; N7-R9 VanDerWaalsContact O-N 3.15Å; R9-Q13 VanDerWaalsContact O-CG 3.29Å; R9-Q13 WeakPolarHBondContact O-CG 3.22Å; R9-Q13 PolarHBondContact O-N 2.74Å; R9-Q13 VanDerWaalsContact O-N 3.17Å; R9-D1008 HydrophobicContact CG-CB 3.97Å; R9-D1009 IonicContact CZ-OD1 3.13Å; R9-D1009 IonicContact CZ-OD2 3.03Å; R9-D1009 VanDerWaalsContact CZ-OD2 3.23Å; R9-D1009 IonicContact NE-OD1 3.83Å; R9-D1009 IonicContact NE-OD2 2.69Å; R9-D1009 PolarHBondContact NE-OD2 3.3Å; R9-D1009 IonicContact NH2-OD1 2.9Å; R9-D1009 PolarHBondContact NH2-OD1 3.13Å; R9-D1009 IonicContact NH2-OD2 3.82Å; R9-D1009 PolarHBondContact NH2-OD2 3.17Å
10A70.4Confident76.3Confident25 Ų2550.4 Ų50.421%0.20726%0.255CS..Hα-helixtrans-73.9-32.3-177.800000111.8N7 I8 R14 L84N7-A10 PolarHBondContact O-N 2.95Å; I8-A10 PolarHBondContact O-N 2.6Å; A10-R14 VanDerWaalsContact O-CB 3.26Å; A10-R14 WeakPolarHBondContact O-CB 3.3Å; A10-R14 VanDerWaalsContact O-CG 3.31Å; A10-R14 WeakPolarHBondContact O-CG 3.38Å; A10-R14 PolarHBondContact O-N 2.93Å; A10-L84 HydrophobicContact CB-CD2 3.42Å; A10-L84 VanDerWaalsContact CB-CD2 3.42Å
11L79.4Confident76.7Confident0 Ų052.2 Ų52.20%026%0.261CS..Hα-helixtrans-64.4-49.2172.1-71.6167.8000111.2I4 N7 I8 Q13 R14 M15 I55 F69 L73 L84I4-L11 HydrophobicContact CB-CD1 4.46Å; I4-L11 HydrophobicContact CG2-CD1 4.06Å; N7-L11 HydrophobicContact CB-CD1 4.31Å; N7-L11 HydrophobicContact CB-CG 4.41Å; N7-L11 WeakPolarHBondContact O-CG 3.48Å; N7-L11 PolarHBondContact O-N 2.81Å; I8-L11 PolarHBondContact O-N 2.8Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 2.69Å; L11-R14 PolarHBondContact O-N 3.04Å; L11-M15 HydrophobicContact CB-SD 4.03Å; L11-M15 HydrophobicContact CD2-CG 4.45Å; L11-M15 HydrophobicContact CD2-SD 3.84Å; L11-M15 WeakPolarHBondContact O-CB 3.48Å; L11-M15 WeakPolarHBondContact O-CG 3.37Å; L11-M15 PolarHBondContact O-N 3.13Å; L11-I55 HydrophobicContact CB-CD1 3.73Å; L11-F69 HydrophobicContact CD1-CE1 4.48Å; L11-L73 HydrophobicContact CD2-CD2 3.37Å; L11-L84 HydrophobicContact CD2-CD1 3.41Å; L11-L84 VanDerWaalsContact CD2-CD1 3.41Å; L11-L84 HydrophobicContact CG-CD1 3.9Å
12I78.7Confident77.6Confident8 Ų851.9 Ų51.94%0.04126%0.259CS..Hα-helixtrans-59.1-40.8178.8-68.8169.3000111.5I8 Q48 R52 I55 D1008I8-I12 HydrophobicContact CG1-CD1 3.94Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.38Å; I8-I12 PolarHBondContact O-N 3.49Å; I12-Q48 HydrophobicContact CG2-CB 3.96Å; I12-Q48 HydrophobicContact CG2-CG 4.37Å; I12-R52 HydrophobicContact CD1-CB 4.13Å; I12-R52 HydrophobicContact CD1-CG 4Å; I12-R52 HydrophobicContact CG1-CB 4.3Å; I12-I55 HydrophobicContact CG1-CD1 3.78Å; I12-D1008 WeakPolarHBondContact CG2-OD2 3.35Å
13Q69.4Low78.4Confident59 Ų5946.5 Ų46.528%0.27623%0.23SC..Hα-helixtrans-76.1-28.2-176-75.8173.3-4.800115R9 L11 D1009R9-Q13 VanDerWaalsContact O-CG 3.29Å; R9-Q13 WeakPolarHBondContact O-CG 3.22Å; R9-Q13 PolarHBondContact O-N 2.74Å; R9-Q13 VanDerWaalsContact O-N 3.17Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 2.69Å; Q13-D1009 VanDerWaalsContact NE2-CG 3.34Å; Q13-D1009 PolarHBondContact NE2-OD2 3.45Å
14R72.2Confident79Confident100 Ų10044.1 Ų44.138%0.37722%0.219SC..Hα-helixtrans-117.3-12-165.3-58.8172.562.3-171.30.8113.3A10 L11 G16 L80 D83A10-R14 VanDerWaalsContact O-CB 3.26Å; A10-R14 WeakPolarHBondContact O-CB 3.3Å; A10-R14 VanDerWaalsContact O-CG 3.31Å; A10-R14 WeakPolarHBondContact O-CG 3.38Å; A10-R14 PolarHBondContact O-N 2.93Å; L11-R14 PolarHBondContact O-N 3.04Å; R14-G16 PolarHBondContact O-N 3.15Å; R14-G16 VanDerWaalsContact O-N 3.15Å; R14-L80 HydrophobicContact CB-CD1 3.43Å; R14-L80 VanDerWaalsContact CB-CD1 3.43Å; R14-L80 HydrophobicContact CB-CD2 3.87Å; R14-L80 HydrophobicContact CB-CG 4.31Å; R14-L80 HydrophobicContact CG-CD1 4.2Å; R14-L80 VanDerWaalsContact NE-CD1 3.26Å; R14-D83 IonicContact CZ-OD2 2.74Å; R14-D83 IonicContact NH1-OD2 2.9Å; R14-D83 PolarHBondContact NH1-OD2 3.12Å; R14-D83 IonicContact NH2-OD2 3.27Å; R14-D83 PolarHBondContact NH2-OD2 3.1Å
15M80.8Confident79.5Confident1 Ų148.5 Ų48.51%0.00524%0.243CC..  trans-78.192.9169.2-71.5177.749.200109.6L11 V20 I23 A51 I54 F69 L73 L80L11-M15 HydrophobicContact CB-SD 4.03Å; L11-M15 HydrophobicContact CD2-CG 4.45Å; L11-M15 HydrophobicContact CD2-SD 3.84Å; L11-M15 WeakPolarHBondContact O-CB 3.48Å; L11-M15 WeakPolarHBondContact O-CG 3.37Å; L11-M15 PolarHBondContact O-N 3.13Å; M15-V20 HydrophobicContact CB-CG2 4.04Å; M15-V20 HydrophobicContact CE-CG2 4.03Å; M15-I23 HydrophobicContact CE-CD1 3.66Å; M15-A51 HydrophobicContact CB-CB 4.18Å; M15-I54 HydrophobicContact CE-CG2 4.47Å; M15-F69 HydrophobicContact CE-CE2 3.93Å; M15-F69 HydrophobicContact CE-CZ 3.67Å; M15-F69 HydrophobicContact SD-CE1 4.48Å; M15-F69 HydrophobicContact SD-CZ 3.67Å; M15-L73 HydrophobicContact CG-CD1 4.07Å; M15-L73 HydrophobicContact SD-CD1 4Å; M15-L80 HydrophobicContact CB-CD2 4.46Å; M15-L80 HydrophobicContact CG-CD2 3.56Å
16G78.1Confident80.1Confident21 Ų2144.5 Ų44.522%0.21623%0.227CC..  trans-62.7158.7174.600000112.5R14 T18 V19 V20 E47R14-G16 PolarHBondContact O-N 3.15Å; R14-G16 VanDerWaalsContact O-N 3.15Å; G16-T18 PolarHBondContact O-N 3.33Å; G16-V19 WeakPolarHBondContact O-CB 3.44Å; G16-V19 PolarHBondContact O-N 2.92Å; G16-V20 PolarHBondContact O-N 3.06Å; G16-E47 VanDerWaalsContact CA-OE2 3.27Å; G16-E47 WeakPolarHBondContact CA-OE2 3.49Å
17M80.3Confident80.8Confident34 Ų3438.4 Ų38.417%0.16719%0.194CC..Hα-helixtrans-52.4-37.4-173.8-175.461.475.700113.7V20 K21 K44 V46 E47 A50M17-V20 PolarHBondContact O-N 3.29Å; M17-K21 HydrophobicContact CG-CD 4.4Å; M17-K21 WeakPolarHBondContact O-CG 3.46Å; M17-K21 PolarHBondContact O-N 2.94Å; M17-K44 WeakPolarHBondContact CE-O 3.22Å; M17-V46 VanDerWaalsContact CE-C 3.5Å; M17-V46 WeakPolarHBondContact CE-O 3.11Å; M17-E47 HydrophobicContact CB-CB 3.92Å; M17-E47 HydrophobicContact CE-CB 4.31Å; M17-E47 PolarHBondContact N-OE2 3Å; M17-A50 HydrophobicContact CE-CB 3.92Å; M17-A50 HydrophobicContact SD-CB 3.81Å
18T81Confident81.6Confident100 Ų10040.9 Ų40.961%0.61320%0.203SC*.Hα-helixtrans-62.2-45.1178.8-51.10000111.6G16 K21 Q22G16-T18 PolarHBondContact O-N 3.33Å; T18-K21 PolarHBondContact O-N 3.05Å; T18-Q22 VanDerWaalsContact O-CG 3.3Å; T18-Q22 WeakPolarHBondContact O-CG 3.49Å; T18-Q22 PolarHBondContact O-N 3.36Å; T18-Q22 PolarHBondContact O-OE1 3.28Å
19V83.7Confident82.1Confident18 Ų1842.6 Ų42.611%0.10922%0.223CC..Hα-helixtrans-67.4-41.2179.1174.70000110.2G16 K21 Q22 I23 L73 N77G16-V19 WeakPolarHBondContact O-CB 3.44Å; G16-V19 PolarHBondContact O-N 2.92Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 2.93Å; V19-Q22 PolarHBondContact O-N 3.32Å; V19-I23 HydrophobicContact CG1-CD1 3.64Å; V19-I23 HydrophobicContact CG1-CG1 4.3Å; V19-I23 WeakPolarHBondContact O-CB 3.42Å; V19-I23 VanDerWaalsContact O-CG1 3.27Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.31Å; V19-L73 HydrophobicContact CG1-CD1 4.34Å; V19-N77 HydrophobicContact CB-CB 4.45Å; V19-N77 HydrophobicContact CG1-CB 3.65Å; V19-N77 HydrophobicContact CG2-CB 3.93Å
20V85.4Confident83.2Confident0 Ų041.7 Ų41.70%022%0.22CC..Hα-helixtrans-58.4-44.9175.8176.70000111M15 G16 M17 I23 T24 I41 A50 A51 I54M15-V20 HydrophobicContact CB-CG2 4.04Å; M15-V20 HydrophobicContact CE-CG2 4.03Å; G16-V20 PolarHBondContact O-N 3.06Å; M17-V20 PolarHBondContact O-N 3.29Å; V20-I23 PolarHBondContact O-N 3.17Å; V20-T24 WeakPolarHBondContact O-CB 3.21Å; V20-T24 PolarHBondContact O-N 3.06Å; V20-T24 PolarHBondContact O-OG1 3.44Å; V20-I41 HydrophobicContact CG1-CG2 3.77Å; V20-A50 HydrophobicContact CB-CB 4.41Å; V20-A50 HydrophobicContact CG1-CB 3.7Å; V20-A51 HydrophobicContact CG2-CB 3.82Å; V20-I54 HydrophobicContact CG1-CG2 4.15Å
21K86.3Confident83.9Confident89 Ų8945.8 Ų45.839%0.38725%0.246SC..Hα-helixtrans-65.5-44.9178.3-72.8179.2178.4-177.30112.3M17 T18 V19 I23 T24 D25M17-K21 HydrophobicContact CG-CD 4.4Å; M17-K21 WeakPolarHBondContact O-CG 3.46Å; M17-K21 PolarHBondContact O-N 2.94Å; T18-K21 PolarHBondContact O-N 3.05Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 2.93Å; K21-I23 VanDerWaalsContact C-N 3.34Å; K21-I23 PolarHBondContact O-N 2.8Å; K21-T24 WeakPolarHBondContact O-CB 3.38Å; K21-T24 PolarHBondContact O-N 3.38Å; K21-T24 VanDerWaalsContact O-N 3.1Å; K21-D25 VanDerWaalsContact O-CG 3.31Å; K21-D25 PolarHBondContact O-N 3.17Å
22Q87.8Confident84.4Confident56 Ų5646.7 Ų46.726%0.26225%0.252SS..Hα-helixtrans-59-45176.7-72.7168.3-41.100111.9T18 V19 T24 D25 D26 W76T18-Q22 VanDerWaalsContact O-CG 3.3Å; T18-Q22 WeakPolarHBondContact O-CG 3.49Å; T18-Q22 PolarHBondContact O-N 3.36Å; T18-Q22 PolarHBondContact O-OE1 3.28Å; V19-Q22 PolarHBondContact O-N 3.32Å; Q22-T24 VanDerWaalsContact C-N 3.32Å; Q22-T24 PolarHBondContact O-N 3.08Å; Q22-D25 PolarHBondContact O-N 2.88Å; Q22-D26 PolarHBondContact O-N 3.16Å; Q22-D26 VanDerWaalsContact O-N 3.08Å; Q22-W76 HydrophobicContact CB-CB 4.15Å; Q22-W76 HydrophobicContact CB-CD2 3.72Å; Q22-W76 HydrophobicContact CB-CE3 4.21Å; Q22-W76 HydrophobicContact CB-CG 3.67Å; Q22-W76 VanDerWaalsContact CD-CE3 3.42Å; Q22-W76 HydrophobicContact CG-CD2 4.08Å; Q22-W76 HydrophobicContact CG-CE3 4.05Å; Q22-W76 HydrophobicContact CG-CG 4.45Å; Q22-W76 HydrophobicContact CG-CZ3 4.45Å; Q22-W76 VanDerWaalsContact NE2-CE3 3.26Å
23I90.1Very high84.8Confident0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-66.4-37.2175.7-64.7169.3000111.2M15 V19 V20 K21 D25 D26 L27 I54 F69 S72 L73M15-I23 HydrophobicContact CE-CD1 3.66Å; V19-I23 HydrophobicContact CG1-CD1 3.64Å; V19-I23 HydrophobicContact CG1-CG1 4.3Å; V19-I23 WeakPolarHBondContact O-CB 3.42Å; V19-I23 VanDerWaalsContact O-CG1 3.27Å; V19-I23 WeakPolarHBondContact O-CG1 3.3Å; V19-I23 PolarHBondContact O-N 3.31Å; V20-I23 PolarHBondContact O-N 3.17Å; K21-I23 VanDerWaalsContact C-N 3.34Å; K21-I23 PolarHBondContact O-N 2.8Å; I23-D25 VanDerWaalsContact C-N 3.34Å; I23-D25 PolarHBondContact O-N 2.69Å; I23-D26 PolarHBondContact O-N 3.47Å; I23-L27 HydrophobicContact CG2-CD1 3.57Å; I23-L27 HydrophobicContact CG2-CG 4.17Å; I23-L27 WeakPolarHBondContact O-CB 3.06Å; I23-L27 WeakPolarHBondContact O-CD1 3.37Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.29Å; I23-I54 HydrophobicContact CB-CD1 4.24Å; I23-I54 HydrophobicContact CG2-CD1 3.77Å; I23-F69 HydrophobicContact CG2-CD2 3.65Å; I23-F69 HydrophobicContact CG2-CE2 3.85Å; I23-S72 WeakPolarHBondContact CA-OG 3.39Å; I23-S72 WeakPolarHBondContact CG1-OG 3.34Å; I23-L73 HydrophobicContact CD1-CB 4.07Å; I23-L73 HydrophobicContact CD1-CD1 3.72Å
24T89.1Confident85.8Confident0 Ų047.3 Ų47.30%026%0.257CS..Hα-helixtrans-62.2-42.4175.9-56.70000111.3V20 K21 Q22 L27 F28 L33 V38 I41 I54V20-T24 WeakPolarHBondContact O-CB 3.21Å; V20-T24 PolarHBondContact O-N 3.06Å; V20-T24 PolarHBondContact O-OG1 3.44Å; K21-T24 WeakPolarHBondContact O-CB 3.38Å; K21-T24 PolarHBondContact O-N 3.38Å; K21-T24 VanDerWaalsContact O-N 3.1Å; Q22-T24 VanDerWaalsContact C-N 3.32Å; Q22-T24 PolarHBondContact O-N 3.08Å; T24-L27 PolarHBondContact O-N 3.36Å; T24-F28 WeakPolarHBondContact O-CB 3.33Å; T24-F28 PolarHBondContact O-N 3.13Å; T24-L33 HydrophobicContact CG2-CD1 3.95Å; T24-V38 HydrophobicContact CG2-CB 4.12Å; T24-V38 HydrophobicContact CG2-CG1 3.86Å; T24-V38 HydrophobicContact CG2-CG2 3.87Å; T24-I41 HydrophobicContact CG2-CB 4.39Å; T24-I41 HydrophobicContact CG2-CD1 4.08Å; T24-I41 HydrophobicContact CG2-CG2 4.44Å; T24-I54 VanDerWaalsContact OG1-CD1 3.29Å; T24-I54 WeakPolarHBondContact OG1-CD1 3.48Å
25D87.7Confident86.3Confident92 Ų9250.7 Ų50.749%0.49227%0.271SS..Hα-helixtrans-65.8-42.9179.2-69.1-23.9000111.5K21 Q22 I23 F28 A29K21-D25 VanDerWaalsContact O-CG 3.31Å; K21-D25 PolarHBondContact O-N 3.17Å; Q22-D25 PolarHBondContact O-N 2.88Å; I23-D25 VanDerWaalsContact C-N 3.34Å; I23-D25 PolarHBondContact O-N 2.69Å; D25-F28 PolarHBondContact O-N 3.12Å; D25-A29 WeakPolarHBondContact O-CB 3.43Å; D25-A29 PolarHBondContact O-N 2.95Å
26D89Confident86.4Confident26 Ų2657.2 Ų57.214%0.13930%0.302CS..Hα-helixtrans-61.9-46.1173.9-77.3-5.5000111.9Q22 I23 F28 A29 W30 S72 W76Q22-D26 PolarHBondContact O-N 3.16Å; Q22-D26 VanDerWaalsContact O-N 3.08Å; I23-D26 PolarHBondContact O-N 3.47Å; D26-F28 VanDerWaalsContact C-N 3.27Å; D26-F28 PolarHBondContact O-N 3.2Å; D26-A29 PolarHBondContact O-N 3.08Å; D26-W30 HydrophobicContact CB-CD2 4.48Å; D26-W30 HydrophobicContact CB-CE3 4.32Å; D26-W30 HydrophobicContact CB-CH2 4.01Å; D26-W30 HydrophobicContact CB-CZ2 4.16Å; D26-W30 HydrophobicContact CB-CZ3 4.08Å; D26-W30 WeakPolarHBondContact O-CB 3.42Å; D26-W30 PolarHBondContact O-N 2.82Å; D26-S72 WeakPolarHBondContact CB-OG 3.35Å; D26-S72 WeakPolarHBondContact OD2-CB 3.43Å; D26-S72 PolarHBondContact OD2-OG 3.45Å; D26-W76 VanDerWaalsContact OD2-CD1 3.23Å; D26-W76 PolarHBondContact OD2-NE1 3.4Å
27L89.1Confident86.8Confident0 Ų057.7 Ų57.70%030%0.298CS..Hα-helixtrans-68.1-29.6-179.6-68.9170.5000112I23 T24 W30 S31 V32 L33 I54 I58 L68 F69I23-L27 HydrophobicContact CG2-CD1 3.57Å; I23-L27 HydrophobicContact CG2-CG 4.17Å; I23-L27 WeakPolarHBondContact O-CB 3.06Å; I23-L27 WeakPolarHBondContact O-CD1 3.37Å; I23-L27 WeakPolarHBondContact O-CG 3.4Å; I23-L27 PolarHBondContact O-N 3.29Å; T24-L27 PolarHBondContact O-N 3.36Å; L27-W30 HydrophobicContact CD2-CE3 4.11Å; L27-W30 HydrophobicContact CD2-CZ3 4.38Å; L27-S31 PolarHBondContact O-N 2.99Å; L27-V32 HydrophobicContact CB-CB 4.23Å; L27-V32 HydrophobicContact CD2-CB 4.1Å; L27-V32 HydrophobicContact CD2-CG1 4.21Å; L27-V32 HydrophobicContact CD2-CG2 4.09Å; L27-V32 WeakPolarHBondContact O-CA 3.46Å; L27-V32 VanDerWaalsContact O-CB 3.32Å; L27-V32 WeakPolarHBondContact O-CB 3.47Å; L27-V32 PolarHBondContact O-N 2.96Å; L27-L33 HydrophobicContact CB-CD1 3.78Å; L27-L33 HydrophobicContact CB-CG 3.92Å; L27-L33 HydrophobicContact CD1-CD1 4.35Å; L27-L33 PolarHBondContact O-N 2.97Å; L27-L33 VanDerWaalsContact O-N 3.07Å; L27-I54 HydrophobicContact CD1-CD1 3.92Å; L27-I54 HydrophobicContact CD1-CG1 4.2Å; L27-I58 HydrophobicContact CD1-CD1 3.79Å; L27-I58 HydrophobicContact CD1-CG1 4.07Å; L27-I58 HydrophobicContact CD2-CD1 4.2Å; L27-L68 HydrophobicContact CD2-CB 4.08Å; L27-F69 HydrophobicContact CD1-CB 4.4Å; L27-F69 HydrophobicContact CD1-CD2 3.97Å; L27-F69 HydrophobicContact CD2-CB 4.46Å
28F89.6Confident86.9Confident90 Ų9057 Ų5740%0.39530%0.296SS..Hα-helixtrans-69.4-46.5169.3-177.5-109.6000111.4T24 D25 D26 W30 S31 L33 V38T24-F28 WeakPolarHBondContact O-CB 3.33Å; T24-F28 PolarHBondContact O-N 3.13Å; D25-F28 PolarHBondContact O-N 3.12Å; D26-F28 VanDerWaalsContact C-N 3.27Å; D26-F28 PolarHBondContact O-N 3.2Å; F28-W30 VanDerWaalsContact C-N 3.27Å; F28-W30 PolarHBondContact O-N 3.16Å; F28-S31 WeakPolarHBondContact O-CA 3.19Å; F28-S31 PolarHBondContact O-N 3.44Å; F28-L33 VanDerWaalsContact CD2-O 3.27Å; F28-L33 WeakPolarHBondContact CD2-O 3.16Å; F28-V38 HydrophobicContact CB-CG2 3.7Å; F28-V38 HydrophobicContact CD2-CG2 3.56Å; F28-V38 HydrophobicContact CE2-CG2 4.45Å; F28-V38 HydrophobicContact CG-CG2 3.82Å
29A88.9Confident86.9Confident74 Ų7454.6 Ų54.661%0.61228%0.283SS*.Hα-helixtrans-60.8-36.1177.500000112.3D25 D26 S31D25-A29 WeakPolarHBondContact O-CB 3.43Å; D25-A29 PolarHBondContact O-N 2.95Å; D26-A29 PolarHBondContact O-N 3.08Å; A29-S31 PolarHBondContact O-N 2.76Å
30W89.3Confident86.7Confident83 Ų8357.1 Ų57.131%0.31430%0.296SS..THydrogen-bonded Turntrans-81.89.6174.9-58.5-22000113.8D26 L27 F28 V32 L68 K71D26-W30 HydrophobicContact CB-CD2 4.48Å; D26-W30 HydrophobicContact CB-CE3 4.32Å; D26-W30 HydrophobicContact CB-CH2 4.01Å; D26-W30 HydrophobicContact CB-CZ2 4.16Å; D26-W30 HydrophobicContact CB-CZ3 4.08Å; D26-W30 WeakPolarHBondContact O-CB 3.42Å; D26-W30 PolarHBondContact O-N 2.82Å; L27-W30 HydrophobicContact CD2-CE3 4.11Å; L27-W30 HydrophobicContact CD2-CZ3 4.38Å; F28-W30 VanDerWaalsContact C-N 3.27Å; F28-W30 PolarHBondContact O-N 3.16Å; W30-V32 HydrophobicContact CB-CG2 4.15Å; W30-V32 PolarHBondContact O-N 3.16Å; W30-L68 HydrophobicContact CD2-CD2 4.45Å; W30-L68 HydrophobicContact CE3-CB 3.84Å; W30-L68 HydrophobicContact CE3-CD2 3.99Å; W30-L68 HydrophobicContact CE3-CG 4.36Å; W30-L68 HydrophobicContact CZ3-CB 4.05Å; W30-L68 HydrophobicContact CZ3-CD2 4.35Å; W30-L68 VanDerWaalsContact CZ3-O 3.26Å; W30-L68 WeakPolarHBondContact CZ3-O 3.38Å; W30-K71 HydrophobicContact CH2-CD 4.41Å; W30-K71 HydrophobicContact CH2-CG 4.48Å
31S86.8Confident86.7Confident110 Ų11057.1 Ų57.177%0.76930%0.296SS*.THydrogen-bonded Turntrans58.723.8179.4-55.10000114.4L27 F28 A29L27-S31 PolarHBondContact O-N 2.99Å; F28-S31 WeakPolarHBondContact O-CA 3.19Å; F28-S31 PolarHBondContact O-N 3.44Å; A29-S31 PolarHBondContact O-N 2.76Å
32V88.3Confident86.5Confident19 Ų1955 Ų5512%0.11529%0.292CS..SBendtrans-80.7-39.6174-176.30000110.3L27 W30 I58 K61 A65 L68L27-V32 HydrophobicContact CB-CB 4.23Å; L27-V32 HydrophobicContact CD2-CB 4.1Å; L27-V32 HydrophobicContact CD2-CG1 4.21Å; L27-V32 HydrophobicContact CD2-CG2 4.09Å; L27-V32 WeakPolarHBondContact O-CA 3.46Å; L27-V32 VanDerWaalsContact O-CB 3.32Å; L27-V32 WeakPolarHBondContact O-CB 3.47Å; L27-V32 PolarHBondContact O-N 2.96Å; W30-V32 HydrophobicContact CB-CG2 4.15Å; W30-V32 PolarHBondContact O-N 3.16Å; V32-I58 HydrophobicContact CG1-CD1 3.46Å; V32-I58 VanDerWaalsContact CG1-CD1 3.46Å; V32-K61 HydrophobicContact CG1-CD 4.28Å; V32-K61 VanDerWaalsContact O-CD 3.28Å; V32-K61 WeakPolarHBondContact O-CD 3.48Å; V32-K61 WeakPolarHBondContact O-CE 3.49Å; V32-K61 PolarHBondContact O-NZ 3.34Å; V32-A65 HydrophobicContact CG1-CB 3.67Å; V32-L68 HydrophobicContact CG2-CB 4.45Å; V32-L68 HydrophobicContact CG2-CD1 3.47Å; V32-L68 VanDerWaalsContact CG2-CD1 3.47Å
33L89.1Confident86.1Confident6 Ų656.3 Ų56.33%0.03131%0.306CS..SBendtrans-107.4146.5175.4-61.4176.3000111T24 L27 F28 E37 V38 I41 M57 I58T24-L33 HydrophobicContact CG2-CD1 3.95Å; L27-L33 HydrophobicContact CB-CD1 3.78Å; L27-L33 HydrophobicContact CB-CG 3.92Å; L27-L33 HydrophobicContact CD1-CD1 4.35Å; L27-L33 PolarHBondContact O-N 2.97Å; L27-L33 VanDerWaalsContact O-N 3.07Å; F28-L33 VanDerWaalsContact CD2-O 3.27Å; F28-L33 WeakPolarHBondContact CD2-O 3.16Å; L33-E37 VanDerWaalsContact CA-OE2 3.29Å; L33-E37 WeakPolarHBondContact CA-OE2 3.09Å; L33-E37 HydrophobicContact CB-CB 4.42Å; L33-E37 HydrophobicContact CD2-CB 4.28Å; L33-V38 HydrophobicContact CB-CG2 4.01Å; L33-I41 HydrophobicContact CD1-CD1 3.79Å; L33-M57 HydrophobicContact CD2-CB 4.38Å; L33-M57 HydrophobicContact CD2-SD 4.32Å; L33-I58 HydrophobicContact CD2-CD1 4.35Å
34N88.5Confident85.6Confident75 Ų7559.2 Ų59.240%0.40132%0.318SS..  trans-96.1171.4170.57343.6000111.6E36 E37 V38N34-E36 VanDerWaalsContact C-N 3.3Å; N34-E36 PolarHBondContact O-N 3.29Å; N34-E36 WeakPolarHBondContact OD1-CB 3.21Å; N34-E36 PolarHBondContact OD1-N 2.81Å; N34-E37 PolarHBondContact N-OE2 3.32Å; N34-E37 PolarHBondContact ND2-OE2 2.83Å; N34-E37 PolarHBondContact O-N 2.89Å; N34-E37 VanDerWaalsContact OD1-CG 3.31Å; N34-E37 WeakPolarHBondContact OD1-CG 3.43Å; N34-E37 PolarHBondContact OD1-N 3.33Å; N34-V38 WeakPolarHBondContact O-CG2 3.18Å; N34-V38 PolarHBondContact O-N 2.61Å
35Y83.4Confident85Confident170 Ų17069.1 Ų69.167%0.66736%0.361SS*.Hα-helixtrans-60.4-36.9-174.4-177.3-98.9000113.6C39Y35-C39 PolarHBondContact O-N 3.4Å; Y35-C39 PolarHBondContact O-SG 3.27Å
36E82.8Confident84.5Confident138 Ų13867.7 Ų67.765%0.64536%0.356SS*.Hα-helixtrans-69.9-40.9178.9-171176.7-177.400111.3N34 C39 N40N34-E36 VanDerWaalsContact C-N 3.3Å; N34-E36 PolarHBondContact O-N 3.29Å; N34-E36 WeakPolarHBondContact OD1-CB 3.21Å; N34-E36 PolarHBondContact OD1-N 2.81Å; E36-C39 PolarHBondContact O-N 3.24Å; E36-N40 VanDerWaalsContact O-CG 3.27Å; E36-N40 PolarHBondContact O-N 3.4Å; E36-N40 PolarHBondContact O-ND2 3.02Å
37E85.9Confident84Confident32 Ų3270.4 Ų70.415%0.1537%0.368CS..Hα-helixtrans-63.1-43176-65.8173.2149.600111.7L33 N34 N40 I41 M57 K61L33-E37 VanDerWaalsContact CA-OE2 3.29Å; L33-E37 WeakPolarHBondContact CA-OE2 3.09Å; L33-E37 HydrophobicContact CB-CB 4.42Å; L33-E37 HydrophobicContact CD2-CB 4.28Å; N34-E37 PolarHBondContact N-OE2 3.32Å; N34-E37 PolarHBondContact ND2-OE2 2.83Å; N34-E37 PolarHBondContact O-N 2.89Å; N34-E37 VanDerWaalsContact OD1-CG 3.31Å; N34-E37 WeakPolarHBondContact OD1-CG 3.43Å; N34-E37 PolarHBondContact OD1-N 3.33Å; E37-N40 PolarHBondContact O-N 3.38Å; E37-I41 WeakPolarHBondContact O-CG1 3.44Å; E37-I41 PolarHBondContact O-N 3.19Å; E37-I41 VanDerWaalsContact O-N 3.09Å; E37-M57 HydrophobicContact CB-CE 3.69Å; E37-M57 HydrophobicContact CB-SD 3.76Å; E37-M57 HydrophobicContact CG-CE 3.51Å; E37-M57 HydrophobicContact CG-SD 4.03Å; E37-K61 WeakPolarHBondContact OE1-CE 2.82Å; E37-K61 IonicContact OE1-NZ 2.87Å; E37-K61 PolarHBondContact OE1-NZ 2.98Å; E37-K61 WeakPolarHBondContact OE2-CE 3.45Å; E37-K61 IonicContact OE2-NZ 2.61Å; E37-K61 PolarHBondContact OE2-NZ 3.44Å
38V83.4Confident83.4Confident18 Ų1872.2 Ų72.211%0.10938%0.376CS..Hα-helixtrans-61-45.7174.21720000111.1T24 F28 L33 N34 N40 I41 C42T24-V38 HydrophobicContact CG2-CB 4.12Å; T24-V38 HydrophobicContact CG2-CG1 3.86Å; T24-V38 HydrophobicContact CG2-CG2 3.87Å; F28-V38 HydrophobicContact CB-CG2 3.7Å; F28-V38 HydrophobicContact CD2-CG2 3.56Å; F28-V38 HydrophobicContact CE2-CG2 4.45Å; F28-V38 HydrophobicContact CG-CG2 3.82Å; L33-V38 HydrophobicContact CB-CG2 4.01Å; N34-V38 WeakPolarHBondContact O-CG2 3.18Å; N34-V38 PolarHBondContact O-N 2.61Å; V38-N40 VanDerWaalsContact C-N 3.28Å; V38-N40 PolarHBondContact O-N 3.09Å; V38-I41 PolarHBondContact O-N 3.09Å; V38-C42 VanDerWaalsContact O-CB 3.32Å; V38-C42 WeakPolarHBondContact O-CB 3.43Å; V38-C42 PolarHBondContact O-N 3.41Å; V38-C42 PolarHBondContact O-SG 3.23Å
39C80.1Confident82.9Confident51 Ų5168.5 Ų68.535%0.34536%0.361SS..Hα-helixtrans-60.6-38.8177.1-70.70000111.9Y35 E36 C43Y35-C39 PolarHBondContact O-N 3.4Å; Y35-C39 PolarHBondContact O-SG 3.27Å; E36-C39 PolarHBondContact O-N 3.24Å; C39-C43 WeakPolarHBondContact O-CB 3.46Å; C39-C43 PolarHBondContact O-N 2.76Å; C39-C43 PolarHBondContact O-SG 3.17Å
40N80.8Confident82.6Confident70 Ų7065 Ų6537%0.37433%0.332SS..Hα-helixtrans-67.3-34.3178.6-74.4-23.7000113.3E36 E37 V38 C43 K44E36-N40 VanDerWaalsContact O-CG 3.27Å; E36-N40 PolarHBondContact O-N 3.4Å; E36-N40 PolarHBondContact O-ND2 3.02Å; E37-N40 PolarHBondContact O-N 3.38Å; V38-N40 VanDerWaalsContact C-N 3.28Å; V38-N40 PolarHBondContact O-N 3.09Å; N40-C43 PolarHBondContact O-SG 3.4Å; N40-K44 VanDerWaalsContact O-CE 3.26Å; N40-K44 WeakPolarHBondContact O-CE 3.38Å
41I85Confident82.4Confident1 Ų161 Ų611%0.00532%0.317CS..Hα-helixtrans-75.4-49.7174.8-63.5159.4000110V20 T24 L33 E37 V38 C43 K44 A50 E53 I54 M57V20-I41 HydrophobicContact CG1-CG2 3.77Å; T24-I41 HydrophobicContact CG2-CB 4.39Å; T24-I41 HydrophobicContact CG2-CD1 4.08Å; T24-I41 HydrophobicContact CG2-CG2 4.44Å; L33-I41 HydrophobicContact CD1-CD1 3.79Å; E37-I41 WeakPolarHBondContact O-CG1 3.44Å; E37-I41 PolarHBondContact O-N 3.19Å; E37-I41 VanDerWaalsContact O-N 3.09Å; V38-I41 PolarHBondContact O-N 3.09Å; I41-C43 VanDerWaalsContact C-N 3.27Å; I41-C43 PolarHBondContact O-N 3.18Å; I41-K44 WeakPolarHBondContact O-CB 3.42Å; I41-K44 WeakPolarHBondContact O-CG 3.26Å; I41-K44 PolarHBondContact O-N 2.94Å; I41-A50 HydrophobicContact CG2-CB 4.35Å; I41-E53 HydrophobicContact CG1-CB 4.44Å; I41-E53 HydrophobicContact CG1-CG 4.3Å; I41-I54 HydrophobicContact CD1-CB 3.86Å; I41-I54 HydrophobicContact CD1-CD1 4.49Å; I41-I54 HydrophobicContact CD1-CG1 3.9Å; I41-I54 HydrophobicContact CG1-CB 4.3Å; I41-I54 HydrophobicContact CG2-CB 4.3Å; I41-M57 HydrophobicContact CD1-SD 3.95Å; I41-M57 HydrophobicContact CG1-SD 4.23Å
42C81.3Confident82.2Confident44 Ų4456.8 Ų56.830%0.29728%0.284SS..Hα-helixtrans-68.7-20.9-174.6-740000114.2V38 K44V38-C42 VanDerWaalsContact O-CB 3.32Å; V38-C42 WeakPolarHBondContact O-CB 3.43Å; V38-C42 PolarHBondContact O-N 3.41Å; V38-C42 PolarHBondContact O-SG 3.23Å; C42-K44 VanDerWaalsContact C-N 3.33Å
43C80.9Confident82Confident83 Ų8358.2 Ų58.256%0.56129%0.289SS*.THydrogen-bonded Turntrans-79.3-12177.174.20000113.9C39 N40 I41 K45C39-C43 WeakPolarHBondContact O-CB 3.46Å; C39-C43 PolarHBondContact O-N 2.76Å; C39-C43 PolarHBondContact O-SG 3.17Å; N40-C43 PolarHBondContact O-SG 3.4Å; I41-C43 VanDerWaalsContact C-N 3.27Å; I41-C43 PolarHBondContact O-N 3.18Å; C43-K45 PolarHBondContact O-N 3.48Å
44K78.6Confident81.9Confident61 Ų6158 Ų5827%0.26529%0.288SS..  trans-69.4131177.2-53.6-64.7-174.8177.50109.5M17 N40 I41 C42 D49 A50 E53M17-K44 WeakPolarHBondContact CE-O 3.22Å; N40-K44 VanDerWaalsContact O-CE 3.26Å; N40-K44 WeakPolarHBondContact O-CE 3.38Å; I41-K44 WeakPolarHBondContact O-CB 3.42Å; I41-K44 WeakPolarHBondContact O-CG 3.26Å; I41-K44 PolarHBondContact O-N 2.94Å; C42-K44 VanDerWaalsContact C-N 3.33Å; K44-D49 HydrophobicContact CB-CB 4.37Å; K44-A50 HydrophobicContact CB-CB 3.95Å; K44-A50 HydrophobicContact CG-CB 4.37Å; K44-E53 IonicContact NZ-OE1 3.75Å; K44-E53 PolarHBondContact NZ-OE1 2.94Å
45K76.9Confident81.8Confident208 Ų20854.5 Ų54.590%0.90427%0.269SS*.SBendtrans-86.1-16.4-178.7-68-175.7177.6-179.30114C43C43-K45 PolarHBondContact O-N 3.48Å
46V76.5Confident81.8Confident63 Ų6348.8 Ų48.838%0.38225%0.249SC..SBendtrans-113.2132.3-176.51750000107.4M17 Q48 D49 A50M17-V46 VanDerWaalsContact CE-C 3.5Å; M17-V46 WeakPolarHBondContact CE-O 3.11Å; V46-Q48 HydrophobicContact CG1-CB 4.41Å; V46-D49 HydrophobicContact CB-CB 4.28Å; V46-D49 WeakPolarHBondContact CB-OD2 3.31Å; V46-D49 WeakPolarHBondContact CG1-OD2 3.21Å; V46-D49 PolarHBondContact O-N 3.06Å; V46-A50 PolarHBondContact O-N 2.99Å
47E79.3Confident81.9Confident82 Ų8243.7 Ų43.738%0.38323%0.225SC..Hα-helixtrans-65-40.7-17258.6-169.5178.100113.2G16 M17 D49 A50 A51G16-E47 VanDerWaalsContact CA-OE2 3.27Å; G16-E47 WeakPolarHBondContact CA-OE2 3.49Å; M17-E47 HydrophobicContact CB-CB 3.92Å; M17-E47 HydrophobicContact CE-CB 4.31Å; M17-E47 PolarHBondContact N-OE2 3Å; E47-D49 VanDerWaalsContact C-N 3.26Å; E47-D49 PolarHBondContact O-N 3.38Å; E47-A50 PolarHBondContact O-N 3.4Å; E47-A51 WeakPolarHBondContact O-CB 3.46Å; E47-A51 PolarHBondContact O-N 3.46Å
48Q76.6Confident82.1Confident38 Ų3842.2 Ų42.218%0.17822%0.218CC..Hα-helixtrans-61-36.5176-64.787.4-15.500111.9I12 V46 A51 R52 D1010I12-Q48 HydrophobicContact CG2-CB 3.96Å; I12-Q48 HydrophobicContact CG2-CG 4.37Å; V46-Q48 HydrophobicContact CG1-CB 4.41Å; Q48-A51 PolarHBondContact O-N 3.13Å; Q48-R52 WeakPolarHBondContact O-CB 3.28Å; Q48-R52 PolarHBondContact O-N 2.92Å; Q48-D1010 VanDerWaalsContact CG-OD2 3.23Å; Q48-D1010 WeakPolarHBondContact CG-OD2 3.32Å; Q48-D1010 PolarHBondContact NE2-OD2 3.15Å
49D77.8Confident82Confident13 Ų1342.9 Ų42.97%0.0722%0.221CC..Hα-helixtrans-73.3-34.5179.4-63.4-47.5000112.2K44 V46 E47 R52 E53 A981 R985K44-D49 HydrophobicContact CB-CB 4.37Å; V46-D49 HydrophobicContact CB-CB 4.28Å; V46-D49 WeakPolarHBondContact CB-OD2 3.31Å; V46-D49 WeakPolarHBondContact CG1-OD2 3.21Å; V46-D49 PolarHBondContact O-N 3.06Å; E47-D49 VanDerWaalsContact C-N 3.26Å; E47-D49 PolarHBondContact O-N 3.38Å; D49-R52 IonicContact OD1-NH1 3.78Å; D49-R52 PolarHBondContact OD1-NH1 3.12Å; D49-E53 WeakPolarHBondContact O-CB 3.49Å; D49-E53 PolarHBondContact O-N 3.35Å; D49-E53 VanDerWaalsContact O-N 3.12Å; D49-A981 HydrophobicContact CB-CB 4.39Å; D49-A981 WeakPolarHBondContact OD1-CB 3.39Å; D49-R985 IonicContact OD1-NH2 3.42Å; D49-R985 IonicContact OD2-CZ 3.58Å; D49-R985 IonicContact OD2-NE 2.73Å; D49-R985 IonicContact OD2-NH2 3.57Å; D49-R985 PolarHBondContact OD2-NH2 2.61Å
50A82.8Confident82.1Confident0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-68-45.3172.400000110.8M17 V20 I41 K44 V46 E47 E53 I54M17-A50 HydrophobicContact CE-CB 3.92Å; M17-A50 HydrophobicContact SD-CB 3.81Å; V20-A50 HydrophobicContact CB-CB 4.41Å; V20-A50 HydrophobicContact CG1-CB 3.7Å; I41-A50 HydrophobicContact CG2-CB 4.35Å; K44-A50 HydrophobicContact CB-CB 3.95Å; K44-A50 HydrophobicContact CG-CB 4.37Å; V46-A50 PolarHBondContact O-N 2.99Å; E47-A50 PolarHBondContact O-N 3.4Å; A50-E53 PolarHBondContact O-N 2.99Å; A50-I54 WeakPolarHBondContact O-CG2 3.46Å; A50-I54 PolarHBondContact O-N 3.05Å
51A84.9Confident82.2Confident0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-62.5-42177.200000111.9M15 V20 E47 Q48 E53 I54 I55M15-A51 HydrophobicContact CB-CB 4.18Å; V20-A51 HydrophobicContact CG2-CB 3.82Å; E47-A51 WeakPolarHBondContact O-CB 3.46Å; E47-A51 PolarHBondContact O-N 3.46Å; Q48-A51 PolarHBondContact O-N 3.13Å; A51-E53 VanDerWaalsContact C-N 3.35Å; A51-I54 WeakPolarHBondContact O-CG2 3.46Å; A51-I55 WeakPolarHBondContact O-CB 3.37Å; A51-I55 VanDerWaalsContact O-CD1 3.25Å; A51-I55 WeakPolarHBondContact O-CD1 3.47Å; A51-I55 WeakPolarHBondContact O-CG1 3.47Å; A51-I55 PolarHBondContact O-N 3.47Å; A51-I55 VanDerWaalsContact O-N 3.13Å
52R82.8Confident82.2Confident20 Ų2049.8 Ų49.88%0.07525%0.248CC..Hα-helixtrans-62.7-43.5175.9-169.8179.3-62.9131-13.7111.3I12 Q48 D49 I55 H56 D1008 D1011I12-R52 HydrophobicContact CD1-CB 4.13Å; I12-R52 HydrophobicContact CD1-CG 4Å; I12-R52 HydrophobicContact CG1-CB 4.3Å; Q48-R52 WeakPolarHBondContact O-CB 3.28Å; Q48-R52 PolarHBondContact O-N 2.92Å; D49-R52 IonicContact OD1-NH1 3.78Å; D49-R52 PolarHBondContact OD1-NH1 3.12Å; R52-I55 PolarHBondContact O-N 2.79Å; R52-H56 VanDerWaalsContact O-CB 3.31Å; R52-H56 WeakPolarHBondContact O-CB 3.28Å; R52-H56 PolarHBondContact O-N 3.29Å; R52-D1008 IonicContact CZ-OD2 3.85Å; R52-D1008 IonicContact NE-OD2 2.89Å; R52-D1008 IonicContact NH2-OD1 2.72Å; R52-D1008 IonicContact NH2-OD2 3.29Å; R52-D1008 PolarHBondContact NH2-OD2 3.28Å; R52-D1011 IonicContact CZ-OD1 2.9Å; R52-D1011 IonicContact CZ-OD2 3.64Å; R52-D1011 IonicContact NH1-OD1 2.96Å; R52-D1011 IonicContact NH2-OD1 3.67Å; R52-D1011 PolarHBondContact NH2-OD1 2.93Å; R52-D1011 IonicContact NH2-OD2 3.71Å; R52-D1011 PolarHBondContact NH2-OD2 3.21Å; R52-D1011 VanDerWaalsContact NH2-OD2 3.1Å
53E84Confident82.2Confident50 Ų5051.2 Ų51.223%0.23426%0.259CS..Hα-helixtrans-69.1-44.1-176.7-16468.8105.200112.9I41 K44 D49 A50 A51 I55 H56 M57I41-E53 HydrophobicContact CG1-CB 4.44Å; I41-E53 HydrophobicContact CG1-CG 4.3Å; K44-E53 IonicContact NZ-OE1 3.75Å; K44-E53 PolarHBondContact NZ-OE1 2.94Å; D49-E53 WeakPolarHBondContact O-CB 3.49Å; D49-E53 PolarHBondContact O-N 3.35Å; D49-E53 VanDerWaalsContact O-N 3.12Å; A50-E53 PolarHBondContact O-N 2.99Å; A51-E53 VanDerWaalsContact C-N 3.35Å; E53-I55 VanDerWaalsContact C-N 3.35Å; E53-I55 PolarHBondContact O-N 3.24Å; E53-H56 PolarHBondContact O-N 3.42Å; E53-H56 IonicContact OE2-ND1 3.4Å; E53-M57 WeakPolarHBondContact O-CG 3.48Å; E53-M57 PolarHBondContact O-N 3.15Å
54I87.9Confident82.3Confident0 Ų054.5 Ų54.50%027%0.266CS..Hα-helixtrans-62.9-41.6176-166.4175.4000111.3M15 V20 I23 T24 L27 I41 A50 A51 H56 M57 I58 F69M15-I54 HydrophobicContact CE-CG2 4.47Å; V20-I54 HydrophobicContact CG1-CG2 4.15Å; I23-I54 HydrophobicContact CB-CD1 4.24Å; I23-I54 HydrophobicContact CG2-CD1 3.77Å; T24-I54 VanDerWaalsContact OG1-CD1 3.29Å; T24-I54 WeakPolarHBondContact OG1-CD1 3.48Å; L27-I54 HydrophobicContact CD1-CD1 3.92Å; L27-I54 HydrophobicContact CD1-CG1 4.2Å; I41-I54 HydrophobicContact CD1-CB 3.86Å; I41-I54 HydrophobicContact CD1-CD1 4.49Å; I41-I54 HydrophobicContact CD1-CG1 3.9Å; I41-I54 HydrophobicContact CG1-CB 4.3Å; I41-I54 HydrophobicContact CG2-CB 4.3Å; A50-I54 WeakPolarHBondContact O-CG2 3.46Å; A50-I54 PolarHBondContact O-N 3.05Å; A51-I54 WeakPolarHBondContact O-CG2 3.46Å; I54-H56 PolarHBondContact O-N 3.31Å; I54-M57 PolarHBondContact O-N 3.44Å; I54-I58 HydrophobicContact CG1-CG1 4.46Å; I54-I58 WeakPolarHBondContact O-CB 3.42Å; I54-I58 WeakPolarHBondContact O-CG1 3.49Å; I54-I58 PolarHBondContact O-N 2.97Å; I54-F69 HydrophobicContact CD1-CE2 4.33Å; I54-F69 HydrophobicContact CG1-CE2 4.39Å; I54-F69 HydrophobicContact CG2-CE2 4.19Å
55I86.6Confident82.7Confident3 Ų352 Ų522%0.01526%0.256CS..Hα-helixtrans-64.5-43.5178.3-68.4165.1000110.7I4 I8 L11 I12 A51 R52 E53 I58 L59 F69I4-I55 HydrophobicContact CG2-CG2 3.84Å; I8-I55 HydrophobicContact CD1-CG2 3.96Å; I8-I55 HydrophobicContact CG1-CG2 4.02Å; L11-I55 HydrophobicContact CB-CD1 3.73Å; I12-I55 HydrophobicContact CG1-CD1 3.78Å; A51-I55 WeakPolarHBondContact O-CB 3.37Å; A51-I55 VanDerWaalsContact O-CD1 3.25Å; A51-I55 WeakPolarHBondContact O-CD1 3.47Å; A51-I55 WeakPolarHBondContact O-CG1 3.47Å; A51-I55 PolarHBondContact O-N 3.47Å; A51-I55 VanDerWaalsContact O-N 3.13Å; R52-I55 PolarHBondContact O-N 2.79Å; E53-I55 VanDerWaalsContact C-N 3.35Å; E53-I55 PolarHBondContact O-N 3.24Å; I55-I58 PolarHBondContact O-N 3.07Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.28Å; I55-L59 WeakPolarHBondContact O-CB 3.21Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.5Å; I55-L59 PolarHBondContact O-N 3.26Å; I55-F69 HydrophobicContact CG1-CE2 4.32Å; I55-F69 HydrophobicContact CG1-CZ 3.94Å
56H82.4Confident83.2Confident50 Ų5042 Ų4223%0.23121%0.213CC..Hα-helixtrans-64-44.1179.3-179.3-128.5000112.3R52 E53 I54 I58 L59 K60R52-H56 VanDerWaalsContact O-CB 3.31Å; R52-H56 WeakPolarHBondContact O-CB 3.28Å; R52-H56 PolarHBondContact O-N 3.29Å; E53-H56 PolarHBondContact O-N 3.42Å; E53-H56 IonicContact OE2-ND1 3.4Å; I54-H56 PolarHBondContact O-N 3.31Å; H56-I58 VanDerWaalsContact C-N 3.34Å; H56-I58 PolarHBondContact O-N 3.1Å; H56-L59 PolarHBondContact O-N 3.09Å; H56-K60 WeakPolarHBondContact CE1-CE 3.44Å; H56-K60 PolarHBondContact CE1-NZ 2.98Å; H56-K60 VanDerWaalsContact NE2-CE 3.26Å; H56-K60 WeakPolarHBondContact NE2-CE 3.41Å; H56-K60 PolarHBondContact O-N 3.04Å; H56-K60 VanDerWaalsContact O-N 3.1Å
57M85.6Confident83.6Confident31 Ų3143.8 Ų43.815%0.15322%0.22CC..Hα-helixtrans-59.7-44174.3-79.6-175.3154.800112L33 E37 I41 E53 I54 K60 K61L33-M57 HydrophobicContact CD2-CB 4.38Å; L33-M57 HydrophobicContact CD2-SD 4.32Å; E37-M57 HydrophobicContact CB-CE 3.69Å; E37-M57 HydrophobicContact CB-SD 3.76Å; E37-M57 HydrophobicContact CG-CE 3.51Å; E37-M57 HydrophobicContact CG-SD 4.03Å; I41-M57 HydrophobicContact CD1-SD 3.95Å; I41-M57 HydrophobicContact CG1-SD 4.23Å; E53-M57 WeakPolarHBondContact O-CG 3.48Å; E53-M57 PolarHBondContact O-N 3.15Å; I54-M57 PolarHBondContact O-N 3.44Å; M57-K60 PolarHBondContact O-N 3.15Å; M57-K61 WeakPolarHBondContact O-CG 3.25Å; M57-K61 PolarHBondContact O-N 3.27Å
58I89Confident84Confident1 Ų142.3 Ų42.31%0.00522%0.215CC..Hα-helixtrans-70.3-38.6-178.4-67.6-65.1000112L27 V32 L33 I54 I55 H56 K60 K61 G62 A65 C66 F69L27-I58 HydrophobicContact CD1-CD1 3.79Å; L27-I58 HydrophobicContact CD1-CG1 4.07Å; L27-I58 HydrophobicContact CD2-CD1 4.2Å; V32-I58 HydrophobicContact CG1-CD1 3.46Å; V32-I58 VanDerWaalsContact CG1-CD1 3.46Å; L33-I58 HydrophobicContact CD2-CD1 4.35Å; I54-I58 HydrophobicContact CG1-CG1 4.46Å; I54-I58 WeakPolarHBondContact O-CB 3.42Å; I54-I58 WeakPolarHBondContact O-CG1 3.49Å; I54-I58 PolarHBondContact O-N 2.97Å; I55-I58 PolarHBondContact O-N 3.07Å; H56-I58 VanDerWaalsContact C-N 3.34Å; H56-I58 PolarHBondContact O-N 3.1Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.13Å; I58-K61 PolarHBondContact O-N 3.44Å; I58-G62 PolarHBondContact O-N 3.33Å; I58-A65 HydrophobicContact CD1-CB 4.08Å; I58-A65 VanDerWaalsContact CG2-C 3.49Å; I58-A65 HydrophobicContact CG2-CB 4.02Å; I58-A65 WeakPolarHBondContact CG2-O 3.49Å; I58-C66 HydrophobicContact CG2-CB 4.37Å; I58-F69 HydrophobicContact CG1-CD2 4.34Å; I58-F69 HydrophobicContact CG2-CB 3.94Å; I58-F69 HydrophobicContact CG2-CG 4.46Å
59L81.6Confident84.7Confident31 Ų3140.5 Ų40.516%0.16221%0.207CC..Hα-helixtrans-63.1-36.4174.5-74.5171.8000112.1M1 I4 K5 I8 I55 H56 K61M1-L59 HydrophobicContact CE-CD2 4.34Å; M1-L59 HydrophobicContact CG-CD2 4.19Å; I4-L59 HydrophobicContact CG2-CD2 4.25Å; I4-L59 HydrophobicContact CG2-CG 4.48Å; K5-L59 HydrophobicContact CG-CD2 4.03Å; I8-L59 HydrophobicContact CD1-CD1 4.11Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.28Å; I55-L59 WeakPolarHBondContact O-CB 3.21Å; I55-L59 VanDerWaalsContact O-CG 3.31Å; I55-L59 WeakPolarHBondContact O-CG 3.5Å; I55-L59 PolarHBondContact O-N 3.26Å; H56-L59 PolarHBondContact O-N 3.09Å; L59-K61 VanDerWaalsContact C-N 3.34Å
60K82.4Confident85Confident158 Ų15841.1 Ų41.169%0.68721%0.21SC*.Hα-helixtrans-66.9-32.2174.3-78.7-179.6173.1175.50113.2H56 M57 I58 G62H56-K60 WeakPolarHBondContact CE1-CE 3.44Å; H56-K60 PolarHBondContact CE1-NZ 2.98Å; H56-K60 VanDerWaalsContact NE2-CE 3.26Å; H56-K60 WeakPolarHBondContact NE2-CE 3.41Å; H56-K60 PolarHBondContact O-N 3.04Å; H56-K60 VanDerWaalsContact O-N 3.1Å; M57-K60 PolarHBondContact O-N 3.15Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.13Å; K60-G62 VanDerWaalsContact C-N 3.34Å
61K84.3Confident85.2Confident87 Ų8747 Ų4738%0.37824%0.235SC..Hα-helixtrans-82.3-7.1-179.2-69.5-178.9-171.8-124.50114.3V32 E37 M57 I58 L59 A65V32-K61 HydrophobicContact CG1-CD 4.28Å; V32-K61 VanDerWaalsContact O-CD 3.28Å; V32-K61 WeakPolarHBondContact O-CD 3.48Å; V32-K61 WeakPolarHBondContact O-CE 3.49Å; V32-K61 PolarHBondContact O-NZ 3.34Å; E37-K61 WeakPolarHBondContact OE1-CE 2.82Å; E37-K61 IonicContact OE1-NZ 2.87Å; E37-K61 PolarHBondContact OE1-NZ 2.98Å; E37-K61 WeakPolarHBondContact OE2-CE 3.45Å; E37-K61 IonicContact OE2-NZ 2.61Å; E37-K61 PolarHBondContact OE2-NZ 3.44Å; M57-K61 WeakPolarHBondContact O-CG 3.25Å; M57-K61 PolarHBondContact O-N 3.27Å; I58-K61 PolarHBondContact O-N 3.44Å; L59-K61 VanDerWaalsContact C-N 3.34Å; K61-A65 HydrophobicContact CB-CB 3.76Å
62G84.8Confident85.3Confident23 Ų2347 Ų4724%0.23724%0.235CC..  trans98.5-171.2169.800000115.4I58 K60 E64 C66I58-G62 PolarHBondContact O-N 3.33Å; K60-G62 VanDerWaalsContact C-N 3.34Å; G62-E64 PolarHBondContact O-N 3.22Å; G62-C66 PolarHBondContact O-N 2.92Å; G62-C66 PolarHBondContact O-SG 3.08Å
63S81.1Confident85.4Confident74 Ų7446 Ų4652%0.51723%0.231SC..Hα-helixtrans-67.1-33-168.451.30000114.4C66 N67S63-C66 WeakPolarHBondContact O-CB 3.38Å; S63-C66 PolarHBondContact O-N 3.29Å; S63-N67 PolarHBondContact O-N 2.76Å; S63-N67 VanDerWaalsContact O-N 3.09Å; S63-N67 PolarHBondContact O-OD1 3.43Å
64E83Confident85.3Confident151 Ų15147.6 Ų47.671%0.70624%0.239SC*.Hα-helixtrans-71.5-43.2-178.8-165.7160.5-165.600111.8G62 C66 N67 L68G62-E64 PolarHBondContact O-N 3.22Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 3.42Å; E64-N67 PolarHBondContact O-N 3.09Å; E64-N67 VanDerWaalsContact O-N 3.13Å; E64-L68 PolarHBondContact O-N 3.17Å; E64-L68 VanDerWaalsContact O-N 3.12Å
65A87.3Confident85Confident8 Ų853.3 Ų53.37%0.06627%0.265CS..Hα-helixtrans-59.3-39.8170.800000111.8V32 I58 K61 N67 L68 F69V32-A65 HydrophobicContact CG1-CB 3.67Å; I58-A65 HydrophobicContact CD1-CB 4.08Å; I58-A65 VanDerWaalsContact CG2-C 3.49Å; I58-A65 HydrophobicContact CG2-CB 4.02Å; I58-A65 WeakPolarHBondContact CG2-O 3.49Å; K61-A65 HydrophobicContact CB-CB 3.76Å; A65-N67 VanDerWaalsContact C-N 3.34Å; A65-N67 PolarHBondContact O-N 2.73Å; A65-L68 PolarHBondContact O-N 2.91Å; A65-F69 WeakPolarHBondContact O-CB 3.38Å; A65-F69 PolarHBondContact O-N 3.11Å
66C86.9Confident84.6Confident0 Ų057.9 Ų57.90%028%0.283CS..Hα-helixtrans-62.3-38.8175.2-67.60000112.7M1 I4 I58 G62 S63 E64 F69 L70M1-C66 HydrophobicContact CB-CB 4.36Å; I4-C66 HydrophobicContact CD1-CB 3.68Å; I58-C66 HydrophobicContact CG2-CB 4.37Å; G62-C66 PolarHBondContact O-N 2.92Å; G62-C66 PolarHBondContact O-SG 3.08Å; S63-C66 WeakPolarHBondContact O-CB 3.38Å; S63-C66 PolarHBondContact O-N 3.29Å; E64-C66 VanDerWaalsContact C-N 3.28Å; E64-C66 PolarHBondContact O-N 3.42Å; C66-F69 PolarHBondContact O-N 3.2Å; C66-L70 WeakPolarHBondContact O-CG 3.11Å; C66-L70 PolarHBondContact O-N 3.01Å; C66-L70 VanDerWaalsContact O-N 3.09Å
67N85.1Confident84.3Confident99 Ų9957 Ų5753%0.52928%0.28SS..Hα-helixtrans-69.2-39.6179.6-69.2-14.8000111.4S63 E64 A65 L70 K71S63-N67 PolarHBondContact O-N 2.76Å; S63-N67 VanDerWaalsContact O-N 3.09Å; S63-N67 PolarHBondContact O-OD1 3.43Å; E64-N67 PolarHBondContact O-N 3.09Å; E64-N67 VanDerWaalsContact O-N 3.13Å; A65-N67 VanDerWaalsContact C-N 3.34Å; A65-N67 PolarHBondContact O-N 2.73Å; N67-L70 PolarHBondContact O-N 2.91Å; N67-K71 PolarHBondContact O-N 3.38Å
68L87.3Confident83.5Confident52 Ų5261 Ų6127%0.27229%0.294SS..Hα-helixtrans-64.6-44174.5-69.4173.3000111.3L27 W30 V32 E64 A65 L70 K71 S72L27-L68 HydrophobicContact CD2-CB 4.08Å; W30-L68 HydrophobicContact CD2-CD2 4.45Å; W30-L68 HydrophobicContact CE3-CB 3.84Å; W30-L68 HydrophobicContact CE3-CD2 3.99Å; W30-L68 HydrophobicContact CE3-CG 4.36Å; W30-L68 HydrophobicContact CZ3-CB 4.05Å; W30-L68 HydrophobicContact CZ3-CD2 4.35Å; W30-L68 VanDerWaalsContact CZ3-O 3.26Å; W30-L68 WeakPolarHBondContact CZ3-O 3.38Å; V32-L68 HydrophobicContact CG2-CB 4.45Å; V32-L68 HydrophobicContact CG2-CD1 3.47Å; V32-L68 VanDerWaalsContact CG2-CD1 3.47Å; E64-L68 PolarHBondContact O-N 3.17Å; E64-L68 VanDerWaalsContact O-N 3.12Å; A65-L68 PolarHBondContact O-N 2.91Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 PolarHBondContact O-N 3.07Å; L68-K71 WeakPolarHBondContact O-CB 3.23Å; L68-K71 PolarHBondContact O-N 3.18Å; L68-K71 VanDerWaalsContact O-N 3.16Å; L68-S72 PolarHBondContact O-N 2.94Å
69F90.2Very high82Confident0 Ų064.3 Ų64.30%032%0.315CS..Hα-helixtrans-55.6-42.5172.9174-86000112.4I4 L11 M15 I23 L27 I54 I55 I58 A65 C66 S72 L73I4-F69 HydrophobicContact CD1-CB 4.49Å; I4-F69 HydrophobicContact CD1-CD1 3.6Å; I4-F69 HydrophobicContact CD1-CE1 4.2Å; I4-F69 HydrophobicContact CD1-CG 4.32Å; I4-F69 HydrophobicContact CG1-CD1 4.34Å; L11-F69 HydrophobicContact CD1-CE1 4.48Å; M15-F69 HydrophobicContact CE-CE2 3.93Å; M15-F69 HydrophobicContact CE-CZ 3.67Å; M15-F69 HydrophobicContact SD-CE1 4.48Å; M15-F69 HydrophobicContact SD-CZ 3.67Å; I23-F69 HydrophobicContact CG2-CD2 3.65Å; I23-F69 HydrophobicContact CG2-CE2 3.85Å; L27-F69 HydrophobicContact CD1-CB 4.4Å; L27-F69 HydrophobicContact CD1-CD2 3.97Å; L27-F69 HydrophobicContact CD2-CB 4.46Å; I54-F69 HydrophobicContact CD1-CE2 4.33Å; I54-F69 HydrophobicContact CG1-CE2 4.39Å; I54-F69 HydrophobicContact CG2-CE2 4.19Å; I55-F69 HydrophobicContact CG1-CE2 4.32Å; I55-F69 HydrophobicContact CG1-CZ 3.94Å; I58-F69 HydrophobicContact CG1-CD2 4.34Å; I58-F69 HydrophobicContact CG2-CB 3.94Å; I58-F69 HydrophobicContact CG2-CG 4.46Å; A65-F69 WeakPolarHBondContact O-CB 3.38Å; A65-F69 PolarHBondContact O-N 3.11Å; C66-F69 PolarHBondContact O-N 3.2Å; F69-S72 PolarHBondContact O-N 3.05Å; F69-L73 HydrophobicContact CE1-CD2 4.32Å; F69-L73 WeakPolarHBondContact O-CB 3.38Å; F69-L73 PolarHBondContact O-N 2.96Å
70L86.1Confident81.5Confident26 Ų2663 Ų6314%0.13631%0.309CS..Hα-helixtrans-66.8-39178-70.5172.7000113F3 I4 C66 N67 L68 S72 L73 E74F3-L70 HydrophobicContact CB-CD1 4.42Å; F3-L70 HydrophobicContact CD1-CD1 3.98Å; F3-L70 HydrophobicContact CD1-CD2 3.38Å; F3-L70 HydrophobicContact CD1-CG 4.34Å; F3-L70 HydrophobicContact CE1-CD2 3.45Å; F3-L70 VanDerWaalsContact CE1-CD2 3.45Å; F3-L70 HydrophobicContact CG-CD1 4.45Å; I4-L70 HydrophobicContact CD1-CD2 4.33Å; I4-L70 HydrophobicContact CD1-CG 4.13Å; I4-L70 HydrophobicContact CG1-CD1 4.3Å; I4-L70 HydrophobicContact CG1-CD2 3.9Å; I4-L70 HydrophobicContact CG1-CG 4.11Å; C66-L70 WeakPolarHBondContact O-CG 3.11Å; C66-L70 PolarHBondContact O-N 3.01Å; C66-L70 VanDerWaalsContact O-N 3.09Å; N67-L70 PolarHBondContact O-N 2.91Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 PolarHBondContact O-N 3.07Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 2.97Å; L70-L73 HydrophobicContact CD2-CD2 4.46Å; L70-L73 PolarHBondContact O-N 2.95Å; L70-E74 WeakPolarHBondContact O-CB 3.46Å; L70-E74 PolarHBondContact O-N 3.19Å
71K86.1Confident81Confident122 Ų12256.8 Ų56.853%0.5328%0.282SS..Hα-helixtrans-61.1-43.4174.8-173.7-177.7176.6-172.60111.5W30 N67 L68 E74 E75W30-K71 HydrophobicContact CH2-CD 4.41Å; W30-K71 HydrophobicContact CH2-CG 4.48Å; N67-K71 PolarHBondContact O-N 3.38Å; L68-K71 WeakPolarHBondContact O-CB 3.23Å; L68-K71 PolarHBondContact O-N 3.18Å; L68-K71 VanDerWaalsContact O-N 3.16Å; K71-E74 PolarHBondContact O-N 3.48Å; K71-E75 PolarHBondContact O-N 2.77Å
72S87.4Confident80.2Confident0 Ų054.6 Ų54.60%027%0.273CS..Hα-helixtrans-69.1-37.3176.7-175.70000112.2I23 D26 L68 F69 L70 E74 E75 W76I23-S72 WeakPolarHBondContact CA-OG 3.39Å; I23-S72 WeakPolarHBondContact CG1-OG 3.34Å; D26-S72 WeakPolarHBondContact CB-OG 3.35Å; D26-S72 WeakPolarHBondContact OD2-CB 3.43Å; D26-S72 PolarHBondContact OD2-OG 3.45Å; L68-S72 PolarHBondContact O-N 2.94Å; F69-S72 PolarHBondContact O-N 3.05Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 2.97Å; S72-E74 PolarHBondContact O-N 2.78Å; S72-E75 PolarHBondContact O-N 3.45Å; S72-W76 VanDerWaalsContact O-CD1 3.26Å; S72-W76 PolarHBondContact O-N 2.94Å
73L83.7Confident79.2Confident0 Ų056.5 Ų56.50%028%0.278CS..Hα-helixtrans-64-40.2174.7-177.867.9000112.4L11 M15 V19 I23 F69 L70 E75 N77 L80 F81L11-L73 HydrophobicContact CD2-CD2 3.37Å; M15-L73 HydrophobicContact CG-CD1 4.07Å; M15-L73 HydrophobicContact SD-CD1 4Å; V19-L73 HydrophobicContact CG1-CD1 4.34Å; I23-L73 HydrophobicContact CD1-CB 4.07Å; I23-L73 HydrophobicContact CD1-CD1 3.72Å; F69-L73 HydrophobicContact CE1-CD2 4.32Å; F69-L73 WeakPolarHBondContact O-CB 3.38Å; F69-L73 PolarHBondContact O-N 2.96Å; L70-L73 HydrophobicContact CD2-CD2 4.46Å; L70-L73 PolarHBondContact O-N 2.95Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.3Å; L73-N77 HydrophobicContact CD1-CB 4.19Å; L73-N77 CarbonylContact O-C 3.23Å; L73-N77 VanDerWaalsContact O-C 3.23Å; L73-N77 WeakPolarHBondContact O-CA 3.4Å; L73-N77 PolarHBondContact O-N 3.48Å; L73-L80 HydrophobicContact CD1-CD2 4.31Å; L73-F81 HydrophobicContact CD2-CD2 4.39Å; L73-F81 HydrophobicContact CG-CB 4.45Å
74E82.5Confident78.5Confident84 Ų8454.1 Ų54.139%0.39326%0.259SS..Hα-helixtrans-60.4-39.3174-178.4172.3-156.900111.4L70 K71 S72 Y78 F81L70-E74 WeakPolarHBondContact O-CB 3.46Å; L70-E74 PolarHBondContact O-N 3.19Å; K71-E74 PolarHBondContact O-N 3.48Å; S72-E74 PolarHBondContact O-N 2.78Å; E74-Y78 HydrophobicContact CG-CD2 3.97Å; E74-Y78 HydrophobicContact CG-CE2 4.23Å; E74-Y78 WeakPolarHBondContact O-CA 3.36Å; E74-Y78 WeakPolarHBondContact O-CB 3.39Å; E74-Y78 WeakPolarHBondContact O-CD2 3.15Å; E74-Y78 PolarHBondContact O-N 3.34Å; E74-F81 HydrophobicContact CB-CD1 3.83Å; E74-F81 HydrophobicContact CB-CD2 4.14Å; E74-F81 HydrophobicContact CB-CE1 3.86Å; E74-F81 HydrophobicContact CB-CE2 4.18Å; E74-F81 HydrophobicContact CB-CG 3.95Å; E74-F81 HydrophobicContact CB-CZ 4.04Å; E74-F81 VanDerWaalsContact CD-CE1 3.48Å; E74-F81 HydrophobicContact CG-CD1 3.66Å; E74-F81 HydrophobicContact CG-CE1 3.56Å; E74-F81 HydrophobicContact CG-CG 4.3Å; E74-F81 HydrophobicContact CG-CZ 4.14Å
75E80.8Confident77.6Confident119 Ų11950.9 Ų50.956%0.55625%0.246SC*.Hα-helixtrans-71.8-49.2179.6-174.3167.8-178.500112.9K71 S72 L73K71-E75 PolarHBondContact O-N 2.77Å; S72-E75 PolarHBondContact O-N 3.45Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 3.3Å
76W80Confident76Confident100 Ų10053.6 Ų53.638%0.37928%0.275SS..Hα-helixtrans-93-21.1-170.6-66.3110.8000115Q22 D26 S72Q22-W76 HydrophobicContact CB-CB 4.15Å; Q22-W76 HydrophobicContact CB-CD2 3.72Å; Q22-W76 HydrophobicContact CB-CE3 4.21Å; Q22-W76 HydrophobicContact CB-CG 3.67Å; Q22-W76 VanDerWaalsContact CD-CE3 3.42Å; Q22-W76 HydrophobicContact CG-CD2 4.08Å; Q22-W76 HydrophobicContact CG-CE3 4.05Å; Q22-W76 HydrophobicContact CG-CG 4.45Å; Q22-W76 HydrophobicContact CG-CZ3 4.45Å; Q22-W76 VanDerWaalsContact NE2-CE3 3.26Å; D26-W76 VanDerWaalsContact OD2-CD1 3.23Å; D26-W76 PolarHBondContact OD2-NE1 3.4Å; S72-W76 VanDerWaalsContact O-CD1 3.26Å; S72-W76 PolarHBondContact O-N 2.94Å
77N74.9Confident74.3Confident31 Ų3159.4 Ų59.417%0.16630%0.302CS..  trans-142.758.2176.1-162.3-12.7000111V19 L73 P79 L80 F81V19-N77 HydrophobicContact CB-CB 4.45Å; V19-N77 HydrophobicContact CG1-CB 3.65Å; V19-N77 HydrophobicContact CG2-CB 3.93Å; L73-N77 HydrophobicContact CD1-CB 4.19Å; L73-N77 CarbonylContact O-C 3.23Å; L73-N77 VanDerWaalsContact O-C 3.23Å; L73-N77 WeakPolarHBondContact O-CA 3.4Å; L73-N77 PolarHBondContact O-N 3.48Å; N77-P79 VanDerWaalsContact C-N 3.29Å; N77-L80 HydrophobicContact CB-CB 4.14Å; N77-L80 WeakPolarHBondContact ND2-CB 3.34Å; N77-L80 WeakPolarHBondContact ND2-CD2 3.02Å; N77-L80 WeakPolarHBondContact O-CB 3.4Å; N77-L80 PolarHBondContact O-N 3.1Å; N77-L80 WeakPolarHBondContact OD1-CB 3.29Å; N77-L80 PolarHBondContact OD1-N 3.37Å; N77-F81 PolarHBondContact O-N 2.88Å
78Y69.1Low72.6Confident115 Ų11558.3 Ų58.345%0.45130%0.302SS..Hα-helixtrans-49-41.3175.8-168.8-109.5000113.7E74 L80 F81 Q82E74-Y78 HydrophobicContact CG-CD2 3.97Å; E74-Y78 HydrophobicContact CG-CE2 4.23Å; E74-Y78 WeakPolarHBondContact O-CA 3.36Å; E74-Y78 WeakPolarHBondContact O-CB 3.39Å; E74-Y78 WeakPolarHBondContact O-CD2 3.15Å; E74-Y78 PolarHBondContact O-N 3.34Å; Y78-L80 PolarHBondContact O-N 3.15Å; Y78-F81 HydrophobicContact CD2-CD1 4.45Å; Y78-F81 PolarHBondContact O-N 3.12Å; Y78-Q82 HydrophobicContact CD1-CG 3.92Å; Y78-Q82 HydrophobicContact CD2-CG 4.37Å; Y78-Q82 HydrophobicContact CE1-CG 3.58Å; Y78-Q82 HydrophobicContact CE2-CG 4.04Å; Y78-Q82 HydrophobicContact CG-CG 4.31Å; Y78-Q82 VanDerWaalsContact O-CB 3.27Å; Y78-Q82 WeakPolarHBondContact O-CB 3.37Å; Y78-Q82 WeakPolarHBondContact O-CG 3.28Å; Y78-Q82 PolarHBondContact O-N 3.45Å; Y78-Q82 PolarHBondContact OH-NE2 3.31Å
79P57.6Low70.5Confident70 Ų7063.5 Ų63.546%0.45533%0.33SS..Hα-helixtrans-64.1-38.8176.6-22.835.1000113.7N77 D83N77-P79 VanDerWaalsContact C-N 3.29Å; P79-D83 VanDerWaalsContact O-CB 3.3Å; P79-D83 WeakPolarHBondContact O-CB 3.37Å; P79-D83 PolarHBondContact O-N 2.95Å
80L70.6Confident68.2Low4 Ų471.7 Ų71.72%0.02137%0.365CS..Hα-helixtrans-68.3-45.4174.3176.257.9000110.8R14 M15 L73 N77 Y78 Q82 D83 L84R14-L80 HydrophobicContact CB-CD1 3.43Å; R14-L80 VanDerWaalsContact CB-CD1 3.43Å; R14-L80 HydrophobicContact CB-CD2 3.87Å; R14-L80 HydrophobicContact CB-CG 4.31Å; R14-L80 HydrophobicContact CG-CD1 4.2Å; R14-L80 VanDerWaalsContact NE-CD1 3.26Å; M15-L80 HydrophobicContact CB-CD2 4.46Å; M15-L80 HydrophobicContact CG-CD2 3.56Å; L73-L80 HydrophobicContact CD1-CD2 4.31Å; N77-L80 HydrophobicContact CB-CB 4.14Å; N77-L80 WeakPolarHBondContact ND2-CB 3.34Å; N77-L80 WeakPolarHBondContact ND2-CD2 3.02Å; N77-L80 WeakPolarHBondContact O-CB 3.4Å; N77-L80 PolarHBondContact O-N 3.1Å; N77-L80 WeakPolarHBondContact OD1-CB 3.29Å; N77-L80 PolarHBondContact OD1-N 3.37Å; Y78-L80 PolarHBondContact O-N 3.15Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.01Å; L80-D83 PolarHBondContact O-N 2.93Å; L80-L84 HydrophobicContact CD1-CD1 3.84Å; L80-L84 HydrophobicContact CD1-CD2 4.44Å; L80-L84 HydrophobicContact CD1-CG 3.92Å; L80-L84 HydrophobicContact CG-CD1 3.93Å; L80-L84 HydrophobicContact CG-CG 4.4Å; L80-L84 WeakPolarHBondContact O-CB 3.2Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.44Å
81F72.5Confident66.3Low28 Ų2881.6 Ų81.612%0.12340%0.403CS..Hα-helixtrans-58.3-44.2175.9179.1-102.9000111.7L73 E74 N77 Y78 N85L73-F81 HydrophobicContact CD2-CD2 4.39Å; L73-F81 HydrophobicContact CG-CB 4.45Å; E74-F81 HydrophobicContact CB-CD1 3.83Å; E74-F81 HydrophobicContact CB-CD2 4.14Å; E74-F81 HydrophobicContact CB-CE1 3.86Å; E74-F81 HydrophobicContact CB-CE2 4.18Å; E74-F81 HydrophobicContact CB-CG 3.95Å; E74-F81 HydrophobicContact CB-CZ 4.04Å; E74-F81 VanDerWaalsContact CD-CE1 3.48Å; E74-F81 HydrophobicContact CG-CD1 3.66Å; E74-F81 HydrophobicContact CG-CE1 3.56Å; E74-F81 HydrophobicContact CG-CG 4.3Å; E74-F81 HydrophobicContact CG-CZ 4.14Å; N77-F81 PolarHBondContact O-N 2.88Å; Y78-F81 HydrophobicContact CD2-CD1 4.45Å; Y78-F81 PolarHBondContact O-N 3.12Å; F81-N85 VanDerWaalsContact CE1-ND2 3.26Å; F81-N85 WeakPolarHBondContact CE1-ND2 3.43Å; F81-N85 VanDerWaalsContact CZ-ND2 3.3Å; F81-N85 WeakPolarHBondContact CZ-ND2 3.15Å; F81-N85 VanDerWaalsContact O-CB 3.3Å; F81-N85 WeakPolarHBondContact O-CB 3.46Å; F81-N85 PolarHBondContact O-N 3.2Å; F81-N85 PolarHBondContact O-ND2 3.38Å
82Q66.4Low64.8Low41 Ų4181.3 Ų81.319%0.19240%0.403CS..Hα-helixtrans-66.6-41.2175.9-80.6-160.1-36.800113Y78 L80 N85 G86 Q87Y78-Q82 HydrophobicContact CD1-CG 3.92Å; Y78-Q82 HydrophobicContact CD2-CG 4.37Å; Y78-Q82 HydrophobicContact CE1-CG 3.58Å; Y78-Q82 HydrophobicContact CE2-CG 4.04Å; Y78-Q82 HydrophobicContact CG-CG 4.31Å; Y78-Q82 VanDerWaalsContact O-CB 3.27Å; Y78-Q82 WeakPolarHBondContact O-CB 3.37Å; Y78-Q82 WeakPolarHBondContact O-CG 3.28Å; Y78-Q82 PolarHBondContact O-N 3.45Å; Y78-Q82 PolarHBondContact OH-NE2 3.31Å; L80-Q82 VanDerWaalsContact C-N 3.32Å; L80-Q82 PolarHBondContact O-N 3.01Å; Q82-N85 CarbonylContact O-C 3.14Å; Q82-N85 WeakPolarHBondContact O-CA 3.2Å; Q82-N85 WeakPolarHBondContact O-CB 3.42Å; Q82-N85 PolarHBondContact O-N 3.32Å; Q82-N85 VanDerWaalsContact O-N 3.08Å; Q82-G86 PolarHBondContact O-N 3.21Å; Q82-Q87 CarbonylContact C-O 3.47Å; Q82-Q87 HydrophobicContact CB-CB 4.36Å; Q82-Q87 WeakPolarHBondContact CB-O 3.47Å; Q82-Q87 PolarHBondContact O-N 3.07Å
83D64.3Low63.4Low63 Ų6382.8 Ų82.834%0.33741%0.411SS..Hα-helixtrans-70.9-36.1179.4-170.757.4000112R14 P79 L80 N85 G86R14-D83 IonicContact CZ-OD2 2.74Å; R14-D83 IonicContact NH1-OD2 2.9Å; R14-D83 PolarHBondContact NH1-OD2 3.12Å; R14-D83 IonicContact NH2-OD2 3.27Å; R14-D83 PolarHBondContact NH2-OD2 3.1Å; P79-D83 VanDerWaalsContact O-CB 3.3Å; P79-D83 WeakPolarHBondContact O-CB 3.37Å; P79-D83 PolarHBondContact O-N 2.95Å; L80-D83 PolarHBondContact O-N 2.93Å; D83-N85 PolarHBondContact O-N 2.98Å; D83-G86 PolarHBondContact O-N 3.23Å
84L67.3Low62.5Low24 Ų2485.3 Ų85.313%0.12643%0.429CS..Hα-helixtrans-66.4-23.7168.5-64.1175.2000112.2F3 N7 A10 L11 L80F3-L84 HydrophobicContact CZ-CB 4.08Å; N7-L84 HydrophobicContact CB-CD2 4.4Å; A10-L84 HydrophobicContact CB-CD2 3.42Å; A10-L84 VanDerWaalsContact CB-CD2 3.42Å; L11-L84 HydrophobicContact CD2-CD1 3.41Å; L11-L84 VanDerWaalsContact CD2-CD1 3.41Å; L11-L84 HydrophobicContact CG-CD1 3.9Å; L80-L84 HydrophobicContact CD1-CD1 3.84Å; L80-L84 HydrophobicContact CD1-CD2 4.44Å; L80-L84 HydrophobicContact CD1-CG 3.92Å; L80-L84 HydrophobicContact CG-CD1 3.93Å; L80-L84 HydrophobicContact CG-CG 4.4Å; L80-L84 WeakPolarHBondContact O-CB 3.2Å; L80-L84 WeakPolarHBondContact O-CG 3.49Å; L80-L84 PolarHBondContact O-N 3.44Å
85N63.5Low61.7Low82 Ų8288.9 Ų88.944%0.43945%0.445SS..THydrogen-bonded Turntrans-92.3-0.1169.8-79.1-29.3000114.1F3 F81 Q82 D83F3-N85 VanDerWaalsContact CE2-OD1 3.25Å; F3-N85 WeakPolarHBondContact CE2-OD1 3.36Å; F81-N85 VanDerWaalsContact CE1-ND2 3.26Å; F81-N85 WeakPolarHBondContact CE1-ND2 3.43Å; F81-N85 VanDerWaalsContact CZ-ND2 3.3Å; F81-N85 WeakPolarHBondContact CZ-ND2 3.15Å; F81-N85 VanDerWaalsContact O-CB 3.3Å; F81-N85 WeakPolarHBondContact O-CB 3.46Å; F81-N85 PolarHBondContact O-N 3.2Å; F81-N85 PolarHBondContact O-ND2 3.38Å; Q82-N85 CarbonylContact O-C 3.14Å; Q82-N85 WeakPolarHBondContact O-CA 3.2Å; Q82-N85 WeakPolarHBondContact O-CB 3.42Å; Q82-N85 PolarHBondContact O-N 3.32Å; Q82-N85 VanDerWaalsContact O-N 3.08Å; D83-N85 PolarHBondContact O-N 2.98Å
86G53.5Low61.4Low65 Ų6584.9 Ų84.967%0.6744%0.436SS*.THydrogen-bonded Turntrans8824.9175.300000118.8Q82 D83Q82-G86 PolarHBondContact O-N 3.21Å; D83-G86 PolarHBondContact O-N 3.23Å
87Q52.1Low61Low122 Ų12284.3 Ų84.357%0.5744%0.44SS*.  trans-128.7117.5179.5-58.1179.5-0.100111.3Q82Q82-Q87 CarbonylContact C-O 3.47Å; Q82-Q87 HydrophobicContact CB-CB 4.36Å; Q82-Q87 WeakPolarHBondContact CB-O 3.47Å; Q82-Q87 PolarHBondContact O-N 3.07Å
88S48.3Very low61.1Low76 Ų7684 Ų8453%0.53144%0.438SS..  trans-141.4133.9179.6153.40000115.1
89L44Very low61.9Low162 Ų16282 Ų8285%0.84844%0.436SS*.  trans-128.788.9175.9-82.8157.9000110.8
90F41.2Very low63.1Low171 Ų17183.4 Ų83.475%0.7544%0.439SS*.SBendtrans-125.6136.5160.1-94.2-83.2000108.7Q92F90-Q92 PolarHBondContact O-N 3.38Å
91Y47.3Very low63.7Low234 Ų23483.5 Ų83.592%0.91844%0.44SS*.  trans-21.995.8-173.7-98.4-94.3000113.4
92Q54.2Low64.4Low116 Ų11682.4 Ų82.454%0.54244%0.436SS..PPolyproline II helixtrans-75.6135.9176.5-58.9-172.83.400107.2F90 S94 K238F90-Q92 PolarHBondContact O-N 3.38Å; Q92-S94 PolarHBondContact O-N 3.14Å; Q92-K238 VanDerWaalsContact CD-NZ 3.29Å
93I57.7Low65.6Low31 Ų3184.4 Ų84.416%0.15945%0.445CS..PPolyproline II helixtrans-48.7127152.8-61173.9000104.9D97 L98 I227 T231 M235I93-D97 HydrophobicContact CG2-CB 3.53Å; I93-L98 HydrophobicContact CB-CD2 4.08Å; I93-L98 HydrophobicContact CB-CG 4.11Å; I93-L98 HydrophobicContact CD1-CD2 4.08Å; I93-L98 HydrophobicContact CG2-CD2 3.7Å; I93-L98 HydrophobicContact CG2-CG 3.66Å; I93-I227 HydrophobicContact CD1-CD1 4.44Å; I93-I227 HydrophobicContact CD1-CG2 4.38Å; I93-T231 HydrophobicContact CD1-CG2 4Å; I93-T231 HydrophobicContact CG1-CG2 3.8Å; I93-M235 HydrophobicContact CD1-CB 4.24Å; I93-M235 HydrophobicContact CD1-CG 4.38Å
94S64.1Low66.7Low54 Ų5485.1 Ų85.138%0.37845%0.449SS..PPolyproline II helixtrans-59.2147.2-177.676.30000108.6Q92 G96 D97 L98Q92-S94 PolarHBondContact O-N 3.14Å; S94-G96 PolarHBondContact O-N 3.36Å; S94-G96 VanDerWaalsContact O-N 3.15Å; S94-D97 WeakPolarHBondContact CB-OD2 3.31Å; S94-D97 PolarHBondContact N-OD2 2.64Å; S94-D97 PolarHBondContact O-N 3.13Å; S94-D97 PolarHBondContact OG-N 3.07Å; S94-D97 VanDerWaalsContact OG-N 3.12Å; S94-D97 PolarHBondContact OG-OD2 3.4Å; S94-L98 PolarHBondContact O-N 3.17Å; S94-L98 VanDerWaalsContact O-N 3.16Å
95E67.1Low67.7Low159 Ų15984 Ų8474%0.74344%0.443SS*.Hα-helixtrans-57.3-31.8179.6-163166-163.400110.9L98 D99E95-L98 PolarHBondContact O-N 3.29Å; E95-D99 VanDerWaalsContact O-CG 3.26Å; E95-D99 PolarHBondContact O-N 2.63Å
96G73Confident69Low35 Ų3583.2 Ų83.236%0.36144%0.436SS..Hα-helixtrans-60.6-48.3170.600000114.1S94 L98 D99 D100S94-G96 PolarHBondContact O-N 3.36Å; S94-G96 VanDerWaalsContact O-N 3.15Å; G96-L98 PolarHBondContact O-N 3.28Å; G96-D99 WeakPolarHBondContact O-CB 3.34Å; G96-D99 PolarHBondContact O-N 2.96Å; G96-D100 PolarHBondContact O-N 2.97Å
97D72.9Confident70.8Confident88 Ų8884.1 Ų84.147%0.47143%0.425SS..Hα-helixtrans-64.4-29.6178-57.6-50.4000112.1I93 S94 L101I93-D97 HydrophobicContact CG2-CB 3.53Å; S94-D97 WeakPolarHBondContact CB-OD2 3.31Å; S94-D97 PolarHBondContact N-OD2 2.64Å; S94-D97 PolarHBondContact O-N 3.13Å; S94-D97 PolarHBondContact OG-N 3.07Å; S94-D97 VanDerWaalsContact OG-N 3.12Å; S94-D97 PolarHBondContact OG-OD2 3.4Å; D97-L101 WeakPolarHBondContact O-CB 3.48Å; D97-L101 PolarHBondContact O-N 3.31Å; D97-L101 VanDerWaalsContact O-N 3.11Å
98L77.4Confident72.5Confident24 Ų2481.8 Ų81.813%0.12641%0.411CS..Hα-helixtrans-74-33.6173.4-67.6175.3000112.4I93 S94 E95 G96 A102 F199 M235I93-L98 HydrophobicContact CB-CD2 4.08Å; I93-L98 HydrophobicContact CB-CG 4.11Å; I93-L98 HydrophobicContact CD1-CD2 4.08Å; I93-L98 HydrophobicContact CG2-CD2 3.7Å; I93-L98 HydrophobicContact CG2-CG 3.66Å; S94-L98 PolarHBondContact O-N 3.17Å; S94-L98 VanDerWaalsContact O-N 3.16Å; E95-L98 PolarHBondContact O-N 3.29Å; G96-L98 PolarHBondContact O-N 3.28Å; L98-A102 WeakPolarHBondContact O-CB 3.46Å; L98-A102 PolarHBondContact O-N 2.89Å; L98-A102 VanDerWaalsContact O-N 3.12Å; L98-F199 HydrophobicContact CB-CZ 4.24Å; L98-F199 HydrophobicContact CD2-CE2 4.1Å; L98-F199 HydrophobicContact CD2-CZ 3.92Å; L98-F199 WeakPolarHBondContact O-CZ 3.5Å; L98-M235 HydrophobicContact CD2-CG 3.88Å
99D84.4Confident74.5Confident74 Ų7478.1 Ų78.140%0.39639%0.386SS..Hα-helixtrans-66.3-45.7173-71.9-28.3000110.7E95 G96 A102 Q103 K198E95-D99 VanDerWaalsContact O-CG 3.26Å; E95-D99 PolarHBondContact O-N 2.63Å; G96-D99 WeakPolarHBondContact O-CB 3.34Å; G96-D99 PolarHBondContact O-N 2.96Å; D99-A102 WeakPolarHBondContact O-CB 3.49Å; D99-A102 PolarHBondContact O-N 3.46Å; D99-Q103 PolarHBondContact O-N 2.99Å; D99-K198 IonicContact OD1-NZ 2.49Å; D99-K198 PolarHBondContact OD1-NZ 3.05Å
100D84.1Confident76.7Confident99 Ų9973.5 Ų73.553%0.52936%0.36SS..Hα-helixtrans-61.2-49.7178-68.8-20.2000111G96 A102 Q103 D104G96-D100 PolarHBondContact O-N 2.97Å; D100-A102 PolarHBondContact O-N 2.93Å; D100-Q103 WeakPolarHBondContact O-CB 3.22Å; D100-Q103 PolarHBondContact O-N 3.11Å; D100-D104 PolarHBondContact O-N 2.89Å
101L82.7Confident79Confident6 Ų667.1 Ų67.13%0.03134%0.335CS..Hα-helixtrans-59-37175.5-177.666.1000112.3D97 Q103 L105 F199 L221 I227D97-L101 WeakPolarHBondContact O-CB 3.48Å; D97-L101 PolarHBondContact O-N 3.31Å; D97-L101 VanDerWaalsContact O-N 3.11Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.43Å; L101-F199 HydrophobicContact CB-CE1 4.19Å; L101-F199 HydrophobicContact CD2-CE1 4.02Å; L101-F199 HydrophobicContact CD2-CZ 4.09Å; L101-F199 HydrophobicContact CG-CE1 4.01Å; L101-F199 HydrophobicContact CG-CZ 4.49Å; L101-L221 HydrophobicContact CD1-CD1 3.53Å; L101-I227 HydrophobicContact CD2-CD1 4.5Å
102A87.9Confident80.9Confident4 Ų460.5 Ų60.53%0.03332%0.32CS..Hα-helixtrans-68.8-38.3177.700000110.6L98 D99 D100 L105 K106 F199L98-A102 WeakPolarHBondContact O-CB 3.46Å; L98-A102 PolarHBondContact O-N 2.89Å; L98-A102 VanDerWaalsContact O-N 3.12Å; D99-A102 WeakPolarHBondContact O-CB 3.49Å; D99-A102 PolarHBondContact O-N 3.46Å; D100-A102 PolarHBondContact O-N 2.93Å; A102-L105 PolarHBondContact O-N 3.01Å; A102-K106 VanDerWaalsContact O-CG 3.31Å; A102-K106 WeakPolarHBondContact O-CG 3.46Å; A102-K106 PolarHBondContact O-N 2.87Å; A102-K106 VanDerWaalsContact O-N 3.13Å; A102-F199 HydrophobicContact CB-CD1 4.03Å; A102-F199 HydrophobicContact CB-CE1 3.65Å
103Q89.7Confident82.2Confident84 Ų8459.1 Ų59.139%0.39332%0.323SS..Hα-helixtrans-67.6-42.8177-168.956.144.800111.6D99 D100 L101 L105 K106 D107D99-Q103 PolarHBondContact O-N 2.99Å; D100-Q103 WeakPolarHBondContact O-CB 3.22Å; D100-Q103 PolarHBondContact O-N 3.11Å; L101-Q103 VanDerWaalsContact C-N 3.34Å; Q103-L105 VanDerWaalsContact C-N 3.28Å; Q103-L105 PolarHBondContact O-N 3.41Å; Q103-K106 WeakPolarHBondContact O-CB 3.34Å; Q103-K106 PolarHBondContact O-N 2.89Å; Q103-D107 PolarHBondContact NE2-OD1 3.07Å; Q103-D107 PolarHBondContact O-N 3.44Å
104D87.4Confident83.6Confident78 Ų7858.2 Ų58.242%0.41732%0.318SS..Hα-helixtrans-56.5-42.1175-71.3-21.2000111.9D100 D107 W108 L221D100-D104 PolarHBondContact O-N 2.89Å; D104-D107 PolarHBondContact O-N 3.46Å; D104-W108 WeakPolarHBondContact O-CB 3.29Å; D104-W108 PolarHBondContact O-N 3.05Å; D104-L221 HydrophobicContact CB-CD2 4.16Å
105L88.8Confident84.7Confident0 Ų056.1 Ų56.10%030%0.303CS..Hα-helixtrans-64.3-41.4174.5-74.4170.5000112.5L101 A102 Q103 D107 W108 Y109 W186 F199 F201 V220 L221L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 3.43Å; A102-L105 PolarHBondContact O-N 3.01Å; Q103-L105 VanDerWaalsContact C-N 3.28Å; Q103-L105 PolarHBondContact O-N 3.41Å; L105-D107 VanDerWaalsContact C-N 3.34Å; L105-W108 PolarHBondContact O-N 2.94Å; L105-Y109 HydrophobicContact CB-CE2 4.48Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; L105-Y109 PolarHBondContact O-N 3.4Å; L105-W186 HydrophobicContact CB-CH2 3.76Å; L105-W186 HydrophobicContact CB-CZ3 3.79Å; L105-W186 HydrophobicContact CD1-CH2 4.4Å; L105-F199 HydrophobicContact CD1-CD1 3.72Å; L105-F199 HydrophobicContact CD1-CE1 4.42Å; L105-F201 HydrophobicContact CD1-CD1 4.14Å; L105-F201 HydrophobicContact CD1-CE1 3.64Å; L105-F201 HydrophobicContact CD1-CZ 4.16Å; L105-F201 HydrophobicContact CD2-CD1 4.22Å; L105-F201 HydrophobicContact CD2-CE1 4.23Å; L105-V220 HydrophobicContact CD2-CG1 3.38Å; L105-L221 HydrophobicContact CD2-CD1 3.47Å; L105-L221 VanDerWaalsContact CD2-CD1 3.47Å; L105-L221 HydrophobicContact CD2-CG 4Å; L105-L221 HydrophobicContact CG-CD1 3.71Å
106K91.5Very high85.8Confident65 Ų6551.5 Ų51.528%0.28328%0.283SS..Hα-helixtrans-63.7-43.8177.7-68.2177.5179.91730110.6A102 Q103 Y109 H110 W186A102-K106 VanDerWaalsContact O-CG 3.31Å; A102-K106 WeakPolarHBondContact O-CG 3.46Å; A102-K106 PolarHBondContact O-N 2.87Å; A102-K106 VanDerWaalsContact O-N 3.13Å; Q103-K106 WeakPolarHBondContact O-CB 3.34Å; Q103-K106 PolarHBondContact O-N 2.89Å; K106-Y109 PolarHBondContact O-N 2.95Å; K106-H110 PolarHBondContact O-N 3.24Å; K106-H110 PolarHBondContact O-ND1 3.5Å; K106-W186 HydrophobicContact CB-CZ3 4.47Å; K106-W186 HydrophobicContact CG-CE3 4.21Å; K106-W186 HydrophobicContact CG-CH2 3.68Å; K106-W186 HydrophobicContact CG-CZ2 4.2Å; K106-W186 HydrophobicContact CG-CZ3 3.68Å
107D90.2Very high86.3Confident84 Ų8452.1 Ų52.145%0.44928%0.276SS..Hα-helixtrans-65.7-41.9179.5-68.5-10.2000110.8Q103 D104 L105 Y109 H110 T111Q103-D107 PolarHBondContact NE2-OD1 3.07Å; Q103-D107 PolarHBondContact O-N 3.44Å; D104-D107 PolarHBondContact O-N 3.46Å; L105-D107 VanDerWaalsContact C-N 3.34Å; D107-Y109 VanDerWaalsContact C-N 3.34Å; D107-Y109 PolarHBondContact O-N 3.18Å; D107-H110 CarbonylContact O-C 3.53Å; D107-H110 WeakPolarHBondContact O-CA 3.34Å; D107-H110 PolarHBondContact O-N 2.74Å; D107-T111 PolarHBondContact O-N 3.08Å
108W88Confident86.9Confident73 Ų7352.6 Ų52.628%0.27727%0.272SS..Hα-helixtrans-53.7-47.5173.3172.9-111.4000112.3D104 L105 H110 T111 F114D104-W108 WeakPolarHBondContact O-CB 3.29Å; D104-W108 PolarHBondContact O-N 3.05Å; L105-W108 PolarHBondContact O-N 2.94Å; W108-H110 PolarHBondContact O-N 3.35Å; W108-T111 HydrophobicContact CE3-CG2 4.26Å; W108-T111 WeakPolarHBondContact O-CB 3.47Å; W108-T111 WeakPolarHBondContact O-CG2 3.49Å; W108-T111 PolarHBondContact O-N 3.11Å; W108-T111 VanDerWaalsContact O-N 3.09Å; W108-T111 PolarHBondContact O-OG1 2.92Å; W108-F114 AromaticContact NE1-CD2 3.96Å
109Y91.3Very high87.1Confident0 Ų052.5 Ų52.50%027%0.273CS..THydrogen-bonded Turntrans-70.9-8.1178.4-59.3-42.4000114.3L105 K106 D107 F114 L115 A183 W186 V200 F202L105-Y109 HydrophobicContact CB-CE2 4.48Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; L105-Y109 PolarHBondContact O-N 3.4Å; K106-Y109 PolarHBondContact O-N 2.95Å; D107-Y109 VanDerWaalsContact C-N 3.34Å; D107-Y109 PolarHBondContact O-N 3.18Å; Y109-F114 HydrophobicContact CD1-CD1 4.02Å; Y109-F114 AromaticContact CD1-CD2 3.94Å; Y109-F114 HydrophobicContact CD1-CD2 3.94Å; Y109-F114 AromaticContact CD1-CE1 3.7Å; Y109-F114 HydrophobicContact CD1-CE1 3.7Å; Y109-F114 AromaticContact CD1-CE2 3.61Å; Y109-F114 HydrophobicContact CD1-CE2 3.61Å; Y109-F114 HydrophobicContact CD1-CG 4.13Å; Y109-F114 AromaticContact CD1-CZ 3.49Å; Y109-F114 HydrophobicContact CD1-CZ 3.49Å; Y109-F114 VanDerWaalsContact CD1-CZ 3.49Å; Y109-F114 HydrophobicContact CE1-CD2 4.45Å; Y109-F114 AromaticContact CE1-CE2 3.85Å; Y109-F114 HydrophobicContact CE1-CE2 3.85Å; Y109-F114 AromaticContact CE1-CZ 3.89Å; Y109-F114 HydrophobicContact CE1-CZ 3.89Å; Y109-F114 HydrophobicContact CG-CE1 4.3Å; Y109-F114 HydrophobicContact CG-CZ 4.44Å; Y109-L115 WeakPolarHBondContact O-CD2 3.36Å; Y109-A183 HydrophobicContact CD1-CB 3.94Å; Y109-A183 HydrophobicContact CD2-CB 4.04Å; Y109-A183 WeakPolarHBondContact CD2-O 3.1Å; Y109-A183 HydrophobicContact CE1-CB 3.93Å; Y109-A183 HydrophobicContact CE2-CB 4.03Å; Y109-A183 HydrophobicContact CG-CB 4.01Å; Y109-W186 AromaticContact CD2-CE3 3.73Å; Y109-W186 HydrophobicContact CD2-CE3 3.73Å; Y109-W186 AromaticContact CD2-CZ3 3.76Å; Y109-W186 HydrophobicContact CD2-CZ3 3.76Å; Y109-W186 AromaticContact CE2-CE3 3.75Å; Y109-W186 HydrophobicContact CE2-CE3 3.75Å; Y109-W186 AromaticContact CE2-CZ3 3.62Å; Y109-W186 HydrophobicContact CE2-CZ3 3.62Å; Y109-V200 WeakPolarHBondContact CE2-O 3.4Å; Y109-V200 PolarHBondContact OH-O 2.92Å; Y109-F202 HydrophobicContact CE1-CB 4.03Å; Y109-F202 PolarHBondContact OH-N 3.29Å
110H89.9Confident86.9Confident64 Ų6449.2 Ų49.230%0.29626%0.255SS..THydrogen-bonded Turntrans-100.2-4.3173-73.768000113.3K106 D107 W108 L115 S188K106-H110 PolarHBondContact O-N 3.24Å; K106-H110 PolarHBondContact O-ND1 3.5Å; D107-H110 CarbonylContact O-C 3.53Å; D107-H110 WeakPolarHBondContact O-CA 3.34Å; D107-H110 PolarHBondContact O-N 2.74Å; W108-H110 PolarHBondContact O-N 3.35Å; H110-L115 VanDerWaalsContact O-CD1 3.31Å; H110-L115 WeakPolarHBondContact O-CD1 3.33Å; H110-S188 PolarHBondContact CE1-N 3.12Å
111T89.7Confident86.6Confident37 Ų3744.6 Ų44.623%0.22723%0.231CC..SBendtrans-64.5144.1176.361.60000111.4D107 W108 S113 F114 L115D107-T111 PolarHBondContact O-N 3.08Å; W108-T111 HydrophobicContact CE3-CG2 4.26Å; W108-T111 WeakPolarHBondContact O-CB 3.47Å; W108-T111 WeakPolarHBondContact O-CG2 3.49Å; W108-T111 PolarHBondContact O-N 3.11Å; W108-T111 VanDerWaalsContact O-N 3.09Å; W108-T111 PolarHBondContact O-OG1 2.92Å; T111-S113 WeakPolarHBondContact CB-OG 3.35Å; T111-S113 PolarHBondContact O-N 3.3Å; T111-S113 VanDerWaalsContact O-N 3.17Å; T111-S113 PolarHBondContact OG1-OG 3.16Å; T111-F114 PolarHBondContact O-N 3.3Å; T111-F114 PolarHBondContact OG1-N 3.45Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.29Å
112P86Confident86.1Confident95 Ų9550.2 Ų50.262%0.61726%0.257SS*.Hα-helixtrans-55.8-31.5174.2-26.635.2000113.5F114 L115 N116P112-F114 VanDerWaalsContact C-N 3.32Å; P112-F114 PolarHBondContact O-N 3.47Å; P112-L115 PolarHBondContact O-N 2.97Å; P112-N116 WeakPolarHBondContact O-CB 3.2Å; P112-N116 PolarHBondContact O-N 3.46Å; P112-N116 PolarHBondContact O-ND2 3.47Å
113S82.4Confident85.2Confident87 Ų8754.6 Ų54.661%0.60828%0.28SS*.Hα-helixtrans-67.4-26.9176.842.40000114.3T111T111-S113 WeakPolarHBondContact CB-OG 3.35Å; T111-S113 PolarHBondContact O-N 3.3Å; T111-S113 VanDerWaalsContact O-N 3.17Å; T111-S113 PolarHBondContact OG1-OG 3.16Å
114F86.9Confident84.6Confident12 Ų1252 Ų525%0.05327%0.268CS..Hα-helixtrans-89.5-39.1174-169.4-91.7000111.5W108 Y109 T111 P112 L130 Q180 A183 F202W108-F114 AromaticContact NE1-CD2 3.96Å; Y109-F114 HydrophobicContact CD1-CD1 4.02Å; Y109-F114 AromaticContact CD1-CD2 3.94Å; Y109-F114 HydrophobicContact CD1-CD2 3.94Å; Y109-F114 AromaticContact CD1-CE1 3.7Å; Y109-F114 HydrophobicContact CD1-CE1 3.7Å; Y109-F114 AromaticContact CD1-CE2 3.61Å; Y109-F114 HydrophobicContact CD1-CE2 3.61Å; Y109-F114 HydrophobicContact CD1-CG 4.13Å; Y109-F114 AromaticContact CD1-CZ 3.49Å; Y109-F114 HydrophobicContact CD1-CZ 3.49Å; Y109-F114 VanDerWaalsContact CD1-CZ 3.49Å; Y109-F114 HydrophobicContact CE1-CD2 4.45Å; Y109-F114 AromaticContact CE1-CE2 3.85Å; Y109-F114 HydrophobicContact CE1-CE2 3.85Å; Y109-F114 AromaticContact CE1-CZ 3.89Å; Y109-F114 HydrophobicContact CE1-CZ 3.89Å; Y109-F114 HydrophobicContact CG-CE1 4.3Å; Y109-F114 HydrophobicContact CG-CZ 4.44Å; T111-F114 PolarHBondContact O-N 3.3Å; T111-F114 PolarHBondContact OG1-N 3.45Å; P112-F114 VanDerWaalsContact C-N 3.32Å; P112-F114 PolarHBondContact O-N 3.47Å; F114-L130 HydrophobicContact CD1-CD1 4.28Å; F114-L130 HydrophobicContact CE1-CD1 4.17Å; F114-Q180 HydrophobicContact CE1-CB 4.17Å; F114-Q180 HydrophobicContact CZ-CB 4.06Å; F114-Q180 HydrophobicContact CZ-CG 4.09Å; F114-A183 HydrophobicContact CE1-CB 4.2Å; F114-A183 HydrophobicContact CZ-CB 3.93Å; F114-F202 AromaticContact CE2-CD1 3.93Å; F114-F202 HydrophobicContact CE2-CD1 3.93Å; F114-F202 HydrophobicContact CE2-CE1 4.41Å; F114-F202 HydrophobicContact CE2-CG 4.4Å; F114-F202 HydrophobicContact CZ-CD1 4.38Å; F114-F202 HydrophobicContact CZ-CG 4.45Å
115L88.4Confident84.3Confident10 Ų1054.8 Ų54.85%0.05228%0.284CS..Hα-helixtrans-72.4-32.8-176.7-67.9177.9000113.7Y109 H110 T111 P112 S129 L130 K131 M184Y109-L115 WeakPolarHBondContact O-CD2 3.36Å; H110-L115 VanDerWaalsContact O-CD1 3.31Å; H110-L115 WeakPolarHBondContact O-CD1 3.33Å; T111-L115 WeakPolarHBondContact O-CG 3.44Å; T111-L115 PolarHBondContact O-N 3.29Å; P112-L115 PolarHBondContact O-N 2.97Å; L115-S129 WeakPolarHBondContact O-CA 3.13Å; L115-L130 HydrophobicContact CD2-CB 4.47Å; L115-L130 PolarHBondContact O-N 3.41Å; L115-K131 HydrophobicContact CD1-CD 4.4Å; L115-M184 HydrophobicContact CD2-CE 4.27Å; L115-M184 HydrophobicContact CD2-CG 3.67Å; L115-M184 HydrophobicContact CD2-SD 3.87Å
116N88.5Confident84Confident62 Ų6255 Ų5533%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-116.2133.6-177-55.6-46.9000110.1P112 I127 F128 S129P112-N116 WeakPolarHBondContact O-CB 3.2Å; P112-N116 PolarHBondContact O-N 3.46Å; P112-N116 PolarHBondContact O-ND2 3.47Å; N116-I127 HydrophobicContact CB-CG2 3.99Å; N116-F128 VanDerWaalsContact CA-O 3.29Å; N116-F128 WeakPolarHBondContact CA-O 3.33Å; N116-S129 VanDerWaalsContact OD1-CB 3.26Å; N116-S129 WeakPolarHBondContact OD1-CB 3.45Å; N116-S129 PolarHBondContact OD1-OG 2.96Å
117F84.9Confident83.7Confident48 Ų4855.7 Ų55.721%0.21129%0.29CS..EExtended strand (participates in β ladder)trans-144.9157175.563.9-87.9000111.2P119 F128 L130 T177F117-P119 HydrophobicContact CD2-CG 4.21Å; F117-P119 HydrophobicContact CE2-CB 4.42Å; F117-P119 HydrophobicContact CE2-CG 3.96Å; F117-P119 WeakPolarHBondContact O-CD 3.28Å; F117-F128 HydrophobicContact CD1-CB 4.47Å; F117-F128 HydrophobicContact CD2-CB 4.3Å; F117-F128 HydrophobicContact CE1-CB 4.1Å; F117-F128 AromaticContact CE1-CD1 3.7Å; F117-F128 HydrophobicContact CE1-CD1 3.7Å; F117-F128 HydrophobicContact CE1-CG 4.26Å; F117-F128 HydrophobicContact CE2-CB 3.92Å; F117-F128 HydrophobicContact CE2-CD1 4.41Å; F117-F128 HydrophobicContact CE2-CG 4.28Å; F117-F128 HydrophobicContact CZ-CB 3.81Å; F117-F128 AromaticContact CZ-CD1 3.52Å; F117-F128 HydrophobicContact CZ-CD1 3.52Å; F117-F128 HydrophobicContact CZ-CE1 4.35Å; F117-F128 AromaticContact CZ-CG 3.82Å; F117-F128 HydrophobicContact CZ-CG 3.82Å; F117-F128 PolarHBondContact N-O 3.09Å; F117-F128 PolarHBondContact O-N 2.99Å; F117-L130 HydrophobicContact CE1-CD2 4.05Å; F117-L130 HydrophobicContact CE1-CG 4.41Å; F117-T177 HydrophobicContact CE1-CG2 4.38Å; F117-T177 HydrophobicContact CZ-CG2 4.12Å
118Y84.4Confident83.5Confident99 Ų9952.6 Ų52.639%0.38827%0.273SS..  trans-97.9104.9179.2-62.2-90.2000109.8L120 G121 E122 I127Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 3.32Å; Y118-G121 WeakPolarHBondContact CB-O 3.49Å; Y118-G121 PolarHBondContact O-N 2.85Å; Y118-E122 HydrophobicContact CD2-CG 3.93Å; Y118-E122 HydrophobicContact CE2-CG 4.33Å; Y118-E122 HydrophobicContact CG-CG 4.32Å; Y118-I127 HydrophobicContact CD1-CG1 4.13Å; Y118-I127 HydrophobicContact CE1-CD1 4.07Å; Y118-I127 HydrophobicContact CE1-CG1 3.53Å
119P81.6Confident83.4Confident21 Ų2150 Ų5014%0.13627%0.266CS..THydrogen-bonded Turntrans-66.3-27.2-173.9-20.133000113.8F117 I126 F128 V342 F442F117-P119 HydrophobicContact CD2-CG 4.21Å; F117-P119 HydrophobicContact CE2-CB 4.42Å; F117-P119 HydrophobicContact CE2-CG 3.96Å; F117-P119 WeakPolarHBondContact O-CD 3.28Å; P119-I126 VanDerWaalsContact CD-O 3.31Å; P119-I126 WeakPolarHBondContact CD-O 3.49Å; P119-F128 HydrophobicContact CG-CB 3.7Å; P119-F128 HydrophobicContact CG-CD2 4.38Å; P119-F128 HydrophobicContact CG-CG 4.39Å; P119-V342 HydrophobicContact CB-CG1 4.09Å; P119-V342 HydrophobicContact CG-CG1 4.34Å; P119-F442 WeakPolarHBondContact O-CD2 3.43Å
120L81.4Confident83.2Confident5 Ų550 Ų503%0.02627%0.266CS..THydrogen-bonded Turntrans-110.112.4-177.7-54.8-178.7000113.3Y118 I124 I126 L339 V342 I343 A346 F366 F442Y118-L120 VanDerWaalsContact C-N 3.26Å; Y118-L120 PolarHBondContact O-N 3.32Å; L120-I124 HydrophobicContact CB-CB 4.25Å; L120-I124 HydrophobicContact CB-CD1 3.57Å; L120-I124 HydrophobicContact CB-CG2 4.44Å; L120-I124 HydrophobicContact CD1-CD1 4.09Å; L120-I124 HydrophobicContact CD1-CG2 4.25Å; L120-I126 HydrophobicContact CD1-CD1 4.23Å; L120-L339 HydrophobicContact CD2-CD1 4.41Å; L120-V342 HydrophobicContact CD1-CG1 3.91Å; L120-V342 HydrophobicContact CD2-CG1 4.23Å; L120-V342 HydrophobicContact CG-CG1 3.84Å; L120-I343 HydrophobicContact CD2-CG1 3.75Å; L120-A346 HydrophobicContact CD1-CB 3.51Å; L120-F366 HydrophobicContact CB-CZ 4.47Å; L120-F366 HydrophobicContact CD1-CE2 4.07Å; L120-F366 HydrophobicContact CD1-CZ 4.05Å; L120-F442 VanDerWaalsContact C-CB 3.44Å; L120-F442 HydrophobicContact CD2-CD2 3.93Å; L120-F442 HydrophobicContact CD2-CE2 3.63Å; L120-F442 HydrophobicContact CD2-CZ 4.21Å
121G77.1Confident82.9Confident2 Ų252.9 Ų52.92%0.02128%0.278CS..  trans94162.5-173.400000113.3Y118 D123 I124Y118-G121 WeakPolarHBondContact CB-O 3.49Å; Y118-G121 PolarHBondContact O-N 2.85Å; G121-D123 PolarHBondContact O-N 2.98Å; G121-I124 PolarHBondContact O-N 2.96Å
122E71.6Confident82.7Confident124 Ų12454.5 Ų54.558%0.57929%0.291SS*.THydrogen-bonded Turntrans-68.5-18.7-172.3-66176.7-171.400113.5Y118 I124Y118-E122 HydrophobicContact CD2-CG 3.93Å; Y118-E122 HydrophobicContact CE2-CG 4.33Å; Y118-E122 HydrophobicContact CG-CG 4.32Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 3.1Å
123D69.5Low82.7Confident97 Ų9750.4 Ų50.452%0.51926%0.264SS..THydrogen-bonded Turntrans-80.4-9.5-178.6-64.1-57.7000114G121G121-D123 PolarHBondContact O-N 2.98Å
124I77.1Confident83Confident28 Ų2847.8 Ų47.814%0.14424%0.241CC..SBendtrans-110.8126.4177-65.1166.5000108.7L120 G121 E122 I126 A346 F366 L370L120-I124 HydrophobicContact CB-CB 4.25Å; L120-I124 HydrophobicContact CB-CD1 3.57Å; L120-I124 HydrophobicContact CB-CG2 4.44Å; L120-I124 HydrophobicContact CD1-CD1 4.09Å; L120-I124 HydrophobicContact CD1-CG2 4.25Å; G121-I124 PolarHBondContact O-N 2.96Å; E122-I124 VanDerWaalsContact C-N 3.32Å; E122-I124 PolarHBondContact O-N 3.1Å; I124-I126 HydrophobicContact CG2-CB 4.42Å; I124-I126 HydrophobicContact CG2-CD1 4.1Å; I124-I126 HydrophobicContact CG2-CG1 4.03Å; I124-I126 PolarHBondContact O-N 3.45Å; I124-A346 HydrophobicContact CG2-CB 4.29Å; I124-F366 HydrophobicContact CD1-CE2 3.77Å; I124-F366 HydrophobicContact CD1-CZ 3.43Å; I124-F366 VanDerWaalsContact CD1-CZ 3.43Å; I124-L370 HydrophobicContact CD1-CD2 4.12Å
125D80.4Confident83.1Confident138 Ų13849.2 Ų49.274%0.73825%0.251SS*.  trans-76.258.7-175.5-158.711.6000112.4
126I83.4Confident83Confident4 Ų453.3 Ų53.32%0.02127%0.27CS..  trans-127.5109.1171.7-63.9176.5000108P119 L120 I124 V312 V342 C345 A346 M349P119-I126 VanDerWaalsContact CD-O 3.31Å; P119-I126 WeakPolarHBondContact CD-O 3.49Å; L120-I126 HydrophobicContact CD1-CD1 4.23Å; I124-I126 HydrophobicContact CG2-CB 4.42Å; I124-I126 HydrophobicContact CG2-CD1 4.1Å; I124-I126 HydrophobicContact CG2-CG1 4.03Å; I124-I126 PolarHBondContact O-N 3.45Å; I126-V312 HydrophobicContact CB-CG1 4.47Å; I126-V312 HydrophobicContact CD1-CG1 4.07Å; I126-V312 HydrophobicContact CG1-CG1 3.97Å; I126-V312 HydrophobicContact CG2-CG1 3.77Å; I126-V312 HydrophobicContact CG2-CG2 4.47Å; I126-V342 HydrophobicContact CD1-CG1 4.16Å; I126-V342 HydrophobicContact CG2-CG1 4.06Å; I126-C345 HydrophobicContact CD1-CB 4.28Å; I126-A346 HydrophobicContact CD1-CB 3.88Å; I126-M349 HydrophobicContact CD1-CE 3.98Å; I126-M349 HydrophobicContact CD1-SD 4.26Å; I126-M349 HydrophobicContact CG1-CE 3.57Å; I126-M349 HydrophobicContact CG1-SD 4.11Å
127I84.3Confident83.1Confident79 Ų7951.9 Ų51.941%0.40526%0.264SS..  trans-103.3120.5177-55.5178.8000108.5N116 Y118N116-I127 HydrophobicContact CB-CG2 3.99Å; Y118-I127 HydrophobicContact CD1-CG1 4.13Å; Y118-I127 HydrophobicContact CE1-CD1 4.07Å; Y118-I127 HydrophobicContact CE1-CG1 3.53Å
128F85.7Confident83.4Confident20 Ų2051 Ų519%0.08826%0.263CS..EExtended strand (participates in β ladder)trans-94.4125.9172.8-155.4-84.7000109.4N116 F117 P119 T133 T177 L308N116-F128 VanDerWaalsContact CA-O 3.29Å; N116-F128 WeakPolarHBondContact CA-O 3.33Å; F117-F128 HydrophobicContact CD1-CB 4.47Å; F117-F128 HydrophobicContact CD2-CB 4.3Å; F117-F128 HydrophobicContact CE1-CB 4.1Å; F117-F128 AromaticContact CE1-CD1 3.7Å; F117-F128 HydrophobicContact CE1-CD1 3.7Å; F117-F128 HydrophobicContact CE1-CG 4.26Å; F117-F128 HydrophobicContact CE2-CB 3.92Å; F117-F128 HydrophobicContact CE2-CD1 4.41Å; F117-F128 HydrophobicContact CE2-CG 4.28Å; F117-F128 HydrophobicContact CZ-CB 3.81Å; F117-F128 AromaticContact CZ-CD1 3.52Å; F117-F128 HydrophobicContact CZ-CD1 3.52Å; F117-F128 HydrophobicContact CZ-CE1 4.35Å; F117-F128 AromaticContact CZ-CG 3.82Å; F117-F128 HydrophobicContact CZ-CG 3.82Å; F117-F128 PolarHBondContact N-O 3.09Å; F117-F128 PolarHBondContact O-N 2.99Å; P119-F128 HydrophobicContact CG-CB 3.7Å; P119-F128 HydrophobicContact CG-CD2 4.38Å; P119-F128 HydrophobicContact CG-CG 4.39Å; F128-T133 WeakPolarHBondContact CD1-OG1 3.41Å; F128-T133 WeakPolarHBondContact CD2-OG1 3.5Å; F128-T133 WeakPolarHBondContact CE1-OG1 3.47Å; F128-T133 WeakPolarHBondContact CE2-OG1 3.45Å; F128-T133 WeakPolarHBondContact CG-OG1 3.43Å; F128-T133 WeakPolarHBondContact CZ-O 3.35Å; F128-T133 WeakPolarHBondContact CZ-OG1 3.42Å; F128-T177 HydrophobicContact CE1-CG2 3.99Å; F128-L308 HydrophobicContact CD2-CD1 4.24Å; F128-L308 HydrophobicContact CE2-CD1 3.49Å; F128-L308 VanDerWaalsContact CE2-CD1 3.49Å; F128-L308 HydrophobicContact CE2-CD2 4.38Å; F128-L308 HydrophobicContact CZ-CD1 4.29Å
129S87.7Confident83.8Confident18 Ų1846.3 Ų46.313%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-110.9125.9176-169.10000110.6L115 N116 K131 S132 T133L115-S129 WeakPolarHBondContact O-CA 3.13Å; N116-S129 VanDerWaalsContact OD1-CB 3.26Å; N116-S129 WeakPolarHBondContact OD1-CB 3.45Å; N116-S129 PolarHBondContact OD1-OG 2.96Å; S129-K131 PolarHBondContact O-N 3.13Å; S129-S132 WeakPolarHBondContact CB-OG 3.33Å; S129-S132 PolarHBondContact O-N 3Å; S129-T133 PolarHBondContact N-OG1 2.79Å; S129-T133 PolarHBondContact O-N 2.97Å; S129-T133 PolarHBondContact O-OG1 2.72Å
130L86.7Confident84.1Confident0 Ų048.4 Ų48.40%025%0.25CC..THydrogen-bonded Turntrans-59.6-12.3175.3-66176.2000113.4F114 L115 F117 F134 T177 Q180 R181 M184F114-L130 HydrophobicContact CD1-CD1 4.28Å; F114-L130 HydrophobicContact CE1-CD1 4.17Å; L115-L130 HydrophobicContact CD2-CB 4.47Å; L115-L130 PolarHBondContact O-N 3.41Å; F117-L130 HydrophobicContact CE1-CD2 4.05Å; F117-L130 HydrophobicContact CE1-CG 4.41Å; L130-F134 WeakPolarHBondContact O-CB 3.41Å; L130-T177 HydrophobicContact CD2-CG2 3.65Å; L130-Q180 HydrophobicContact CD1-CB 3.79Å; L130-Q180 HydrophobicContact CD2-CB 4.2Å; L130-R181 PolarHBondContact O-NH1 2.8Å; L130-M184 HydrophobicContact CB-SD 3.97Å
131K84.1Confident84.4Confident124 Ų12452.1 Ų52.154%0.53926%0.263SS..THydrogen-bonded Turntrans-92-51.1177.1-73.7179.2179.7175.30113.4L115 S129 M184L115-K131 HydrophobicContact CD1-CD 4.4Å; S129-K131 PolarHBondContact O-N 3.13Å; K131-M184 HydrophobicContact CD-CE 4.26Å; K131-M184 HydrophobicContact CG-CE 3.54Å; K131-M184 HydrophobicContact CG-SD 4.41Å
132S83.8Confident84.6Confident72 Ų7253.2 Ų53.250%0.50327%0.268SS..THydrogen-bonded Turntrans-97.7-39.2-171.754.40000113.8S129S129-S132 WeakPolarHBondContact CB-OG 3.33Å; S129-S132 PolarHBondContact O-N 3Å
133T86.3Confident84.6Confident9 Ų948.7 Ų48.76%0.05525%0.247CC..THydrogen-bonded Turntrans-92.9-6.4-173.661.50000113.4F128 S129 T135 E311F128-T133 WeakPolarHBondContact CD1-OG1 3.41Å; F128-T133 WeakPolarHBondContact CD2-OG1 3.5Å; F128-T133 WeakPolarHBondContact CE1-OG1 3.47Å; F128-T133 WeakPolarHBondContact CE2-OG1 3.45Å; F128-T133 WeakPolarHBondContact CG-OG1 3.43Å; F128-T133 WeakPolarHBondContact CZ-O 3.35Å; F128-T133 WeakPolarHBondContact CZ-OG1 3.42Å; S129-T133 PolarHBondContact N-OG1 2.79Å; S129-T133 PolarHBondContact O-N 2.97Å; S129-T133 PolarHBondContact O-OG1 2.72Å; T133-T135 PolarHBondContact O-N 2.81Å; T133-E311 HydrophobicContact CG2-CB 4.36Å
134F89.1Confident84.4Confident31 Ų3148.3 Ų48.314%0.13624%0.242CC..  trans-76.4120.8179.3-177.2-88.6000111.7L130 E136 T177 L178 R181L130-F134 WeakPolarHBondContact O-CB 3.41Å; F134-E136 HydrophobicContact CE1-CG 4.43Å; F134-T177 HydrophobicContact CD2-CG2 4.06Å; F134-T177 HydrophobicContact CE2-CG2 4.4Å; F134-L178 HydrophobicContact CZ-CD1 4.33Å; F134-R181 HydrophobicContact CD1-CG 4.25Å; F134-R181 HydrophobicContact CD2-CB 4.2Å; F134-R181 HydrophobicContact CD2-CG 4.22Å; F134-R181 HydrophobicContact CE1-CG 3.87Å; F134-R181 HydrophobicContact CE2-CB 3.75Å; F134-R181 HydrophobicContact CE2-CG 3.83Å; F134-R181 HydrophobicContact CG-CG 4.43Å; F134-R181 HydrophobicContact CZ-CB 4.03Å; F134-R181 HydrophobicContact CZ-CG 3.65Å
135T89.4Confident83.6Confident42 Ų4249.5 Ų49.526%0.25825%0.247SC..  trans-105.2138.8168.856.30000110T133 A307T133-T135 PolarHBondContact O-N 2.81Å; T135-A307 HydrophobicContact CG2-CB 4.34Å
136E86.9Confident83Confident97 Ų9746.4 Ų46.445%0.45323%0.228SC..PPolyproline II helixtrans-59.8123.1177.8-81.4-68.8148.700111.2F134 L154F134-E136 HydrophobicContact CE1-CG 4.43Å; E136-L154 VanDerWaalsContact OE2-CB 3.22Å; E136-L154 WeakPolarHBondContact OE2-CB 3.3Å
137P90.4Very high82.3Confident31 Ų3148.5 Ų48.520%0.20124%0.236CC..PPolyproline II helixtrans-76.4152.3-179.631.2-34.3000111.4L139 L178 V297P137-L139 HydrophobicContact CB-CD2 4.48Å; P137-L139 HydrophobicContact CG-CD2 4.18Å; P137-L139 HydrophobicContact CG-CG 4.32Å; P137-L139 PolarHBondContact O-N 3.31Å; P137-L178 HydrophobicContact CG-CD1 3.84Å; P137-L178 HydrophobicContact CG-CD2 4.47Å; P137-V297 HydrophobicContact CB-CG1 4.2Å
138V90.9Very high82.1Confident30 Ų3047.8 Ų47.818%0.18223%0.228CC..PPolyproline II helixtrans-73.8120.2165.9-179.90000108.2W140 Q151 G298 T301V138-W140 VanDerWaalsContact CG1-NE1 3.34Å; V138-Q151 HydrophobicContact CG1-CG 4.24Å; V138-G298 PolarHBondContact O-N 2.94Å; V138-T301 HydrophobicContact CG2-CG2 3.93Å
139L92.4Very high81.7Confident0 Ų051.2 Ų51.20%025%0.25CS..EExtended strand (participates in β ladder)trans-111.1145.3176.2-58.4171.9000109.9P137 Q151 L152 L157 L178 E296 V297P137-L139 HydrophobicContact CB-CD2 4.48Å; P137-L139 HydrophobicContact CG-CD2 4.18Å; P137-L139 HydrophobicContact CG-CG 4.32Å; P137-L139 PolarHBondContact O-N 3.31Å; L139-Q151 CarbonylContact O-C 3.52Å; L139-Q151 WeakPolarHBondContact O-CA 3.48Å; L139-L152 HydrophobicContact CB-CB 3.99Å; L139-L152 WeakPolarHBondContact CB-O 3.49Å; L139-L152 PolarHBondContact N-O 3.23Å; L139-L152 PolarHBondContact O-N 3.47Å; L139-L157 HydrophobicContact CD1-CB 4.26Å; L139-L157 HydrophobicContact CD1-CD2 4.02Å; L139-L178 HydrophobicContact CD2-CD2 3.91Å; L139-E296 CarbonylContact C-O 3.54Å; L139-E296 WeakPolarHBondContact CA-O 3.45Å; L139-V297 HydrophobicContact CD2-CB 4.45Å; L139-V297 HydrophobicContact CD2-CG2 3.9Å
140W87.6Confident81.6Confident65 Ų6553.7 Ų53.725%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-128.5125.9175.2-67.493.9000110.2V138 R148 E150 Q151 A295 E296V138-W140 VanDerWaalsContact CG1-NE1 3.34Å; W140-R148 HydrophobicContact CB-CB 4.13Å; W140-R148 HydrophobicContact CB-CG 3.78Å; W140-R148 HydrophobicContact CD2-CB 4.08Å; W140-R148 HydrophobicContact CD2-CG 4.17Å; W140-R148 HydrophobicContact CE3-CB 3.74Å; W140-R148 HydrophobicContact CE3-CG 4.35Å; W140-R148 HydrophobicContact CG-CB 4.27Å; W140-R148 HydrophobicContact CG-CG 3.94Å; W140-R148 HydrophobicContact CZ3-CB 4.45Å; W140-E150 CarbonylContact C-O 3.34Å; W140-E150 WeakPolarHBondContact CA-O 3.39Å; W140-Q151 HydrophobicContact CD2-CB 4.32Å; W140-Q151 HydrophobicContact CD2-CG 4.43Å; W140-Q151 HydrophobicContact CE3-CB 3.9Å; W140-Q151 HydrophobicContact CE3-CG 4.49Å; W140-Q151 HydrophobicContact CH2-CB 3.93Å; W140-Q151 HydrophobicContact CH2-CG 4.32Å; W140-Q151 HydrophobicContact CZ2-CB 4.32Å; W140-Q151 HydrophobicContact CZ2-CG 4.22Å; W140-Q151 HydrophobicContact CZ3-CB 3.71Å; W140-Q151 HydrophobicContact CZ3-CG 4.46Å; W140-A295 CarbonylContact O-C 3.55Å; W140-A295 VanDerWaalsContact O-CA 3.25Å; W140-A295 WeakPolarHBondContact O-CA 3.45Å; W140-E296 HydrophobicContact CB-CB 4.41Å; W140-E296 PolarHBondContact N-O 3.21Å; W140-E296 PolarHBondContact O-N 2.86Å
141R88.9Confident81.7Confident84 Ų8459.4 Ų59.432%0.31729%0.287SS..EExtended strand (participates in β ladder)trans-69.8137.2167.9-173.1173.6176.5178.2-0.7109.6R148 V149 E150 L152 L293R141-R148 CarbonylContact O-C 3.22Å; R141-R148 WeakPolarHBondContact O-CA 3.28Å; R141-V149 PolarHBondContact O-N 2.6Å; R141-E150 HydrophobicContact CB-CG 3.46Å; R141-E150 VanDerWaalsContact CB-CG 3.46Å; R141-E150 WeakPolarHBondContact CD-OE1 3.48Å; R141-E150 HydrophobicContact CG-CG 4.29Å; R141-E150 IonicContact CZ-OE1 2.9Å; R141-E150 PolarHBondContact N-O 2.96Å; R141-E150 IonicContact NE-OE1 3.94Å; R141-E150 IonicContact NH1-OE1 3.47Å; R141-E150 PolarHBondContact NH1-OE1 3.17Å; R141-L152 HydrophobicContact CB-CD1 3.87Å; R141-L152 HydrophobicContact CB-CG 4.29Å; R141-L293 HydrophobicContact CG-CD1 3.97Å
142K80Confident82Confident25 Ų2554.4 Ų54.411%0.10927%0.266CS..EExtended strand (participates in β ladder)trans-109.2142.5174.7-79-174.3167.9170.80113.7H146 R147 E168 I294 E296K142-H146 WeakPolarHBondContact CE-O 3.44Å; K142-R147 WeakPolarHBondContact CA-O 3.44Å; K142-E168 WeakPolarHBondContact CD-OE1 3.44Å; K142-E168 WeakPolarHBondContact CE-OE1 3.47Å; K142-E168 IonicContact NZ-OE1 2.68Å; K142-E168 PolarHBondContact NZ-OE1 2.82Å; K142-I294 HydrophobicContact CB-CB 4.34Å; K142-I294 HydrophobicContact CB-CG2 4.13Å; K142-I294 PolarHBondContact N-O 3.01Å; K142-E296 HydrophobicContact CD-CB 4.12Å; K142-E296 WeakPolarHBondContact CE-OE2 3.4Å; K142-E296 HydrophobicContact CG-CB 4.47Å; K142-E296 IonicContact NZ-OE2 2.68Å; K142-E296 PolarHBondContact NZ-OE2 3.42Å
143D73.1Confident82.3Confident29 Ų2955.2 Ų55.216%0.15527%0.267CS..  trans-84.9-179.1166.780.4-8.2000112.1H145 H146 R147 V149 R288D143-H145 PolarHBondContact O-N 3.17Å; D143-H145 VanDerWaalsContact OD1-CA 3.29Å; D143-H145 WeakPolarHBondContact OD1-CA 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.5Å; D143-H145 PolarHBondContact OD1-N 2.98Å; D143-H145 IonicContact OD1-ND1 3.19Å; D143-H145 IonicContact OD2-CG 3.66Å; D143-H145 IonicContact OD2-ND1 3.84Å; D143-H145 PolarHBondContact OD2-ND1 3.45Å; D143-H146 PolarHBondContact O-N 3.47Å; D143-H146 VanDerWaalsContact O-N 3.14Å; D143-H146 PolarHBondContact OD1-N 3.12Å; D143-R147 PolarHBondContact N-O 3.31Å; D143-R147 WeakPolarHBondContact OD1-CB 3.5Å; D143-R147 PolarHBondContact OD1-N 3.2Å; D143-R147 IonicContact OD1-NE 3.73Å; D143-R147 IonicContact OD2-CZ 3.6Å; D143-R147 VanDerWaalsContact OD2-CZ 3.27Å; D143-R147 IonicContact OD2-NE 3.77Å; D143-R147 PolarHBondContact OD2-NE 3.11Å; D143-R147 IonicContact OD2-NH2 3.9Å; D143-R147 PolarHBondContact OD2-NH2 3.24Å; D143-V149 HydrophobicContact CB-CG2 3.69Å; D143-R288 PolarHBondContact O-NH2 2.93Å
144Q64.4Low82.5Confident89 Ų8954.9 Ų54.942%0.41627%0.266SS..THydrogen-bonded Turntrans-64.1-14.6176.566.9-169.8-11.100114.5R288Q144-R288 VanDerWaalsContact CA-NH2 3.28Å; Q144-R288 PolarHBondContact O-NH2 3.05Å
145H60.4Low82.5Confident53 Ų5357 Ų5725%0.24528%0.278CS..THydrogen-bonded Turntrans-97.111.7176.2-51.290.6000113D143 R147 I523D143-H145 PolarHBondContact O-N 3.17Å; D143-H145 VanDerWaalsContact OD1-CA 3.29Å; D143-H145 WeakPolarHBondContact OD1-CA 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.5Å; D143-H145 PolarHBondContact OD1-N 2.98Å; D143-H145 IonicContact OD1-ND1 3.19Å; D143-H145 IonicContact OD2-CG 3.66Å; D143-H145 IonicContact OD2-ND1 3.84Å; D143-H145 PolarHBondContact OD2-ND1 3.45Å; H145-R147 HydrophobicContact CB-CG 4.04Å; H145-R147 PolarHBondContact O-N 3.38Å; H145-I523 HydrophobicContact CB-CG2 4.21Å; H145-I523 WeakPolarHBondContact CD2-CG2 3.17Å
146H67.8Low82.4Confident73 Ų7355.8 Ų55.834%0.33828%0.275SS..SBendtrans63.119.6-174.6-55.987.1000113.7K142 D143 R288K142-H146 WeakPolarHBondContact CE-O 3.44Å; D143-H146 PolarHBondContact O-N 3.47Å; D143-H146 VanDerWaalsContact O-N 3.14Å; D143-H146 PolarHBondContact OD1-N 3.12Å; H146-R288 VanDerWaalsContact CD2-CZ 3.41Å; H146-R288 PolarHBondContact CD2-NH1 3.23Å; H146-R288 PolarHBondContact CE1-NE 3.39Å; H146-R288 VanDerWaalsContact N-NH2 3.2Å; H146-R288 PolarHBondContact ND1-NH2 3.02Å; H146-R288 WeakPolarHBondContact NE2-CD 3.48Å; H146-R288 PolarHBondContact NE2-NE 3.35Å; H146-R288 PolarHBondContact NE2-NH1 2.91Å
147R68.2Low82.6Confident47 Ų4751.2 Ų51.218%0.17725%0.253CS..  trans-84.6141.5176.9-59.8-177-59.4162.4-2.2110.5K142 D143 H145 V149 Y617K142-R147 WeakPolarHBondContact CA-O 3.44Å; D143-R147 PolarHBondContact N-O 3.31Å; D143-R147 WeakPolarHBondContact OD1-CB 3.5Å; D143-R147 PolarHBondContact OD1-N 3.2Å; D143-R147 IonicContact OD1-NE 3.73Å; D143-R147 IonicContact OD2-CZ 3.6Å; D143-R147 VanDerWaalsContact OD2-CZ 3.27Å; D143-R147 IonicContact OD2-NE 3.77Å; D143-R147 PolarHBondContact OD2-NE 3.11Å; D143-R147 IonicContact OD2-NH2 3.9Å; D143-R147 PolarHBondContact OD2-NH2 3.24Å; H145-R147 HydrophobicContact CB-CG 4.04Å; H145-R147 PolarHBondContact O-N 3.38Å; R147-V149 PolarHBondContact O-N 2.64Å; R147-Y617 WeakPolarHBondContact CD-OH 3.3Å
148R79.8Confident82.7Confident65 Ų6549.8 Ų49.825%0.24524%0.244CC..EExtended strand (participates in β ladder)trans-75.2116.9171-64.3177.8176.9171.42.2107.8W140 R141 E296W140-R148 HydrophobicContact CB-CB 4.13Å; W140-R148 HydrophobicContact CB-CG 3.78Å; W140-R148 HydrophobicContact CD2-CB 4.08Å; W140-R148 HydrophobicContact CD2-CG 4.17Å; W140-R148 HydrophobicContact CE3-CB 3.74Å; W140-R148 HydrophobicContact CE3-CG 4.35Å; W140-R148 HydrophobicContact CG-CB 4.27Å; W140-R148 HydrophobicContact CG-CG 3.94Å; W140-R148 HydrophobicContact CZ3-CB 4.45Å; R141-R148 CarbonylContact O-C 3.22Å; R141-R148 WeakPolarHBondContact O-CA 3.28Å; R148-E296 IonicContact CZ-OE1 3.8Å; R148-E296 IonicContact CZ-OE2 2.75Å; R148-E296 IonicContact NE-OE1 3.23Å; R148-E296 IonicContact NE-OE2 3.37Å; R148-E296 PolarHBondContact NE-OE2 2.92Å; R148-E296 IonicContact NH2-OE1 2.61Å; R148-E296 PolarHBondContact NH2-OE1 3.36Å; R148-E296 IonicContact NH2-OE2 3.81Å; R148-E296 PolarHBondContact NH2-OE2 3.01Å
149V78.5Confident82.6Confident91 Ų9154.4 Ų54.455%0.55226%0.263SS*.EExtended strand (participates in β ladder)trans-96.2-46.5-175.3-178.80000111.1R141 D143 R147R141-V149 PolarHBondContact O-N 2.6Å; D143-V149 HydrophobicContact CB-CG2 3.69Å; R147-V149 PolarHBondContact O-N 2.64Å
150E84.5Confident82.3Confident71 Ų7156.3 Ų56.333%0.33228%0.279SS..EExtended strand (participates in β ladder)trans-143.8141.1-177.555.4-179.7-178.400109.4W140 R141 L152W140-E150 CarbonylContact C-O 3.34Å; W140-E150 WeakPolarHBondContact CA-O 3.39Å; R141-E150 HydrophobicContact CB-CG 3.46Å; R141-E150 VanDerWaalsContact CB-CG 3.46Å; R141-E150 WeakPolarHBondContact CD-OE1 3.48Å; R141-E150 HydrophobicContact CG-CG 4.29Å; R141-E150 IonicContact CZ-OE1 2.9Å; R141-E150 PolarHBondContact N-O 2.96Å; R141-E150 IonicContact NE-OE1 3.94Å; R141-E150 IonicContact NH1-OE1 3.47Å; R141-E150 PolarHBondContact NH1-OE1 3.17Å; E150-L152 HydrophobicContact CG-CD2 3.96Å; E150-L152 HydrophobicContact CG-CG 4.31Å
151Q89.4Confident82.4Confident120 Ų12054 Ų5456%0.56127%0.271SS*.EExtended strand (participates in β ladder)trans-78132.2168.4-168.8178.2-13.100108.6V138 L139 W140V138-Q151 HydrophobicContact CG1-CG 4.24Å; L139-Q151 CarbonylContact O-C 3.52Å; L139-Q151 WeakPolarHBondContact O-CA 3.48Å; W140-Q151 HydrophobicContact CD2-CB 4.32Å; W140-Q151 HydrophobicContact CD2-CG 4.43Å; W140-Q151 HydrophobicContact CE3-CB 3.9Å; W140-Q151 HydrophobicContact CE3-CG 4.49Å; W140-Q151 HydrophobicContact CH2-CB 3.93Å; W140-Q151 HydrophobicContact CH2-CG 4.32Å; W140-Q151 HydrophobicContact CZ2-CB 4.32Å; W140-Q151 HydrophobicContact CZ2-CG 4.22Å; W140-Q151 HydrophobicContact CZ3-CB 3.71Å; W140-Q151 HydrophobicContact CZ3-CG 4.46Å
152L89.7Confident82.3Confident19 Ų1954.5 Ų54.510%0.09928%0.277CS..EExtended strand (participates in β ladder)trans-115.4149.1-178.6-63.3178.1000110.5L139 R141 E150 L157L139-L152 HydrophobicContact CB-CB 3.99Å; L139-L152 WeakPolarHBondContact CB-O 3.49Å; L139-L152 PolarHBondContact N-O 3.23Å; L139-L152 PolarHBondContact O-N 3.47Å; R141-L152 HydrophobicContact CB-CD1 3.87Å; R141-L152 HydrophobicContact CB-CG 4.29Å; E150-L152 HydrophobicContact CG-CD2 3.96Å; E150-L152 HydrophobicContact CG-CG 4.31Å; L152-L157 HydrophobicContact CD1-CB 4.44Å; L152-L157 HydrophobicContact CD1-CD1 4.02Å
153T91.3Very high82.4Confident88 Ų8854.6 Ų54.654%0.5428%0.281SS..  trans-91.8165.4159.761.30000109.3N155 G156 L157T153-N155 PolarHBondContact O-N 3.14Å; T153-G156 PolarHBondContact O-N 3.42Å; T153-G156 VanDerWaalsContact O-N 3.15Å; T153-G156 PolarHBondContact OG1-N 3.36Å; T153-G156 VanDerWaalsContact OG1-N 3.07Å; T153-L157 PolarHBondContact O-N 3.44Å
154L90Very high83.2Confident3 Ų353.7 Ų53.72%0.01628%0.277CS..Hα-helixtrans-55.4-42.8173.3177.954.7000111.6E136 L157 L158 L178 R181 I182 L185E136-L154 VanDerWaalsContact OE2-CB 3.22Å; E136-L154 WeakPolarHBondContact OE2-CB 3.3Å; L154-L157 PolarHBondContact O-N 3.46Å; L154-L158 HydrophobicContact CD1-CD1 4.16Å; L154-L158 HydrophobicContact CD1-CG 4.23Å; L154-L158 HydrophobicContact CG-CD1 4.19Å; L154-L158 VanDerWaalsContact O-CG 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 2.95Å; L154-L178 HydrophobicContact CD1-CD1 3.77Å; L154-L178 HydrophobicContact CD2-CD1 4.12Å; L154-L178 HydrophobicContact CG-CD1 4.45Å; L154-R181 HydrophobicContact CD2-CG 4.17Å; L154-I182 HydrophobicContact CD1-CD1 4.04Å; L154-I182 HydrophobicContact CD1-CG1 3.86Å; L154-L185 HydrophobicContact CD2-CD1 3.8Å
155N88.6Confident84.6Confident74 Ų7449.5 Ų49.540%0.39626%0.257SS..Hα-helixtrans-65.4-41.8177.4-168.347.5000112.2T153 L157 L158 Q159T153-N155 PolarHBondContact O-N 3.14Å; N155-L157 VanDerWaalsContact C-N 3.35Å; N155-L157 PolarHBondContact O-N 3.4Å; N155-L158 PolarHBondContact O-N 3.25Å; N155-Q159 PolarHBondContact ND2-NE2 2.93Å; N155-Q159 WeakPolarHBondContact O-CG 3.43Å; N155-Q159 PolarHBondContact O-N 3.26Å
156G88.3Confident86.2Confident18 Ų1847 Ų4719%0.18625%0.246CC..Hα-helixtrans-60.1-42.417500000112.6T153 L158 Q159 A160T153-G156 PolarHBondContact O-N 3.42Å; T153-G156 VanDerWaalsContact O-N 3.15Å; T153-G156 PolarHBondContact OG1-N 3.36Å; T153-G156 VanDerWaalsContact OG1-N 3.07Å; G156-L158 PolarHBondContact O-N 3.28Å; G156-Q159 PolarHBondContact O-N 3.43Å; G156-A160 WeakPolarHBondContact O-CB 3.45Å; G156-A160 PolarHBondContact O-N 3.25Å
157L91Very high87.5Confident0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-59.9-44.3174.4179.470.7000111.9L139 L152 T153 L154 N155 L161 I167 L293 A295L139-L157 HydrophobicContact CD1-CB 4.26Å; L139-L157 HydrophobicContact CD1-CD2 4.02Å; L152-L157 HydrophobicContact CD1-CB 4.44Å; L152-L157 HydrophobicContact CD1-CD1 4.02Å; T153-L157 PolarHBondContact O-N 3.44Å; L154-L157 PolarHBondContact O-N 3.46Å; N155-L157 VanDerWaalsContact C-N 3.35Å; N155-L157 PolarHBondContact O-N 3.4Å; L157-L161 PolarHBondContact O-N 2.68Å; L157-L161 VanDerWaalsContact O-N 3.17Å; L157-I167 HydrophobicContact CD2-CD1 3.98Å; L157-L293 HydrophobicContact CD1-CD2 3.82Å; L157-A295 HydrophobicContact CD1-CB 3.83Å
158L91.3Very high88.4Confident2 Ų241.2 Ų41.21%0.0122%0.221CC..Hα-helixtrans-70.8-33.3-178.1-67.4174.2000112.8L154 N155 G156 L161 I182 A193 L194L154-L158 HydrophobicContact CD1-CD1 4.16Å; L154-L158 HydrophobicContact CD1-CG 4.23Å; L154-L158 HydrophobicContact CG-CD1 4.19Å; L154-L158 VanDerWaalsContact O-CG 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 2.95Å; N155-L158 PolarHBondContact O-N 3.25Å; G156-L158 PolarHBondContact O-N 3.28Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-I182 HydrophobicContact CD2-CD1 4.24Å; L158-I182 HydrophobicContact CD2-CG1 4.37Å; L158-I182 HydrophobicContact CD2-CG2 4.27Å; L158-A193 HydrophobicContact CB-CB 3.69Å; L158-L194 HydrophobicContact CD1-CD1 4.07Å; L158-L194 HydrophobicContact CD1-CD2 4.12Å; L158-L194 HydrophobicContact CD1-CG 4.03Å; L158-L194 HydrophobicContact CD2-CD2 3.89Å
159Q88.4Confident88.5Confident126 Ų12638.1 Ų38.159%0.58921%0.21SC*.Hα-helixtrans-69.6-43.6174.4-73.5178.4-13.900111.7N155 G156 L161 A193N155-Q159 PolarHBondContact ND2-NE2 2.93Å; N155-Q159 WeakPolarHBondContact O-CG 3.43Å; N155-Q159 PolarHBondContact O-N 3.26Å; G156-Q159 PolarHBondContact O-N 3.43Å; Q159-L161 VanDerWaalsContact C-N 3.27Å; Q159-L161 PolarHBondContact O-N 2.97Å; Q159-A193 HydrophobicContact CG-CB 4.14Å
160A87.9Confident88.5Confident41 Ų4138.6 Ų38.634%0.33921%0.206SC..THydrogen-bonded Turntrans-85.111-179.900000114.4G156 Q162G156-A160 WeakPolarHBondContact O-CB 3.45Å; G156-A160 PolarHBondContact O-N 3.25Å; A160-Q162 PolarHBondContact O-N 3.42Å
161L89.3Confident88.3Confident15 Ų1536.8 Ų36.88%0.07920%0.201CC..  trans-61.4124.4-169-171.368.3000113.1L157 L158 Q159 C165 F197 L244 M274 I276 L293L157-L161 PolarHBondContact O-N 2.68Å; L157-L161 VanDerWaalsContact O-N 3.17Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; Q159-L161 VanDerWaalsContact C-N 3.27Å; Q159-L161 PolarHBondContact O-N 2.97Å; L161-C165 HydrophobicContact CD1-CB 3.56Å; L161-F197 HydrophobicContact CD2-CE2 4.49Å; L161-F197 HydrophobicContact CD2-CZ 4.05Å; L161-L244 HydrophobicContact CD2-CD1 4.21Å; L161-M274 HydrophobicContact CB-CE 4.42Å; L161-M274 HydrophobicContact CD2-CE 3.9Å; L161-M274 HydrophobicContact CG-CE 3.81Å; L161-I276 HydrophobicContact CD1-CD1 3.89Å; L161-I276 HydrophobicContact CD1-CG1 3.9Å; L161-I276 HydrophobicContact CD2-CD1 4.18Å; L161-I276 HydrophobicContact CD2-CG1 4.43Å; L161-L293 HydrophobicContact CD1-CD2 4.49Å
162Q87Confident88Confident95 Ų9531.6 Ų31.644%0.44418%0.179SC..  trans-121.6148.3171-56.8-178-5.400110.2A160 P164 C165 A292 L293A160-Q162 PolarHBondContact O-N 3.42Å; Q162-P164 CarbonylContact O-C 3.52Å; Q162-C165 WeakPolarHBondContact O-CA 3.49Å; Q162-C165 VanDerWaalsContact O-CB 3.28Å; Q162-C165 WeakPolarHBondContact O-CB 3.23Å; Q162-C165 PolarHBondContact O-N 3.06Å; Q162-C165 VanDerWaalsContact O-N 3.17Å; Q162-A292 HydrophobicContact CB-CB 3.83Å; Q162-A292 PolarHBondContact OE1-O 3.37Å; Q162-L293 HydrophobicContact CB-CB 4.07Å
163S81.9Confident87.9Confident27 Ų2731.2 Ų31.219%0.18918%0.177CC..SBendtrans-107.8139.6-176.2-173.10000112.2N268 N273 M274 V275 A292S163-N268 PolarHBondContact OG-OD1 3.19Å; S163-N273 PolarHBondContact OG-O 3.16Å; S163-M274 VanDerWaalsContact CB-SD 3.57Å; S163-V275 PolarHBondContact OG-N 3.44Å; S163-V275 VanDerWaalsContact OG-N 3.11Å; S163-A292 WeakPolarHBondContact O-CB 3.43Å
164P89.3Confident87.7Confident11 Ų1128.2 Ų28.27%0.07116%0.163CC..SBendcis-66.1135.8-13.2-20.931.8000112.5Q162 I265 N268 F290 G291 A292 L293Q162-P164 CarbonylContact O-C 3.52Å; P164-I265 VanDerWaalsContact CG-O 3.25Å; P164-I265 WeakPolarHBondContact CG-O 3.34Å; P164-N268 HydrophobicContact CG-CB 4.08Å; P164-F290 VanDerWaalsContact CD-O 3.27Å; P164-F290 WeakPolarHBondContact CD-O 3.29Å; P164-G291 WeakPolarHBondContact O-CA 3.3Å; P164-A292 PolarHBondContact O-N 3.23Å; P164-L293 PolarHBondContact O-N 3.36Å
165C94.3Very high87.8Confident0 Ų028.8 Ų28.80%017%0.166CC..EExtended strand (participates in β ladder)trans-94.3126.8169.4-179.70000108.8L161 Q162 V275 I276 V277 L293L161-C165 HydrophobicContact CD1-CB 3.56Å; Q162-C165 WeakPolarHBondContact O-CA 3.49Å; Q162-C165 VanDerWaalsContact O-CB 3.28Å; Q162-C165 WeakPolarHBondContact O-CB 3.23Å; Q162-C165 PolarHBondContact O-N 3.06Å; Q162-C165 VanDerWaalsContact O-N 3.17Å; C165-V275 PolarHBondContact N-O 3.41Å; C165-I276 HydrophobicContact CB-CG1 4.01Å; C165-I276 CarbonylContact O-C 3.57Å; C165-I276 WeakPolarHBondContact O-CA 2.97Å; C165-V277 PolarHBondContact O-N 2.88Å; C165-L293 CarbonylContact C-O 3.58Å; C165-L293 WeakPolarHBondContact CA-O 3.05Å; C165-L293 HydrophobicContact CB-CB 4.48Å
166I93.6Very high87.9Confident0 Ų027.7 Ų27.70%016%0.164CC..EExtended strand (participates in β ladder)trans-110.9120.5179.3-54.2176.5000108.8V277 T279 L284 I287 G291 L293 I294 A295I166-V277 WeakPolarHBondContact CA-O 3.27Å; I166-V277 HydrophobicContact CB-CG1 4.3Å; I166-V277 HydrophobicContact CG1-CG1 3.81Å; I166-V277 HydrophobicContact CG2-CG1 4.36Å; I166-T279 HydrophobicContact CG2-CG2 3.93Å; I166-L284 HydrophobicContact CG2-CD1 3.73Å; I166-I287 HydrophobicContact CD1-CB 4.21Å; I166-I287 HydrophobicContact CD1-CD1 4.09Å; I166-I287 HydrophobicContact CD1-CG1 4.04Å; I166-I287 VanDerWaalsContact CD1-O 3.22Å; I166-I287 WeakPolarHBondContact CD1-O 3.29Å; I166-I287 HydrophobicContact CG1-CD1 4.26Å; I166-I287 HydrophobicContact CG2-CD1 3.82Å; I166-I287 HydrophobicContact CG2-CG1 4.43Å; I166-G291 VanDerWaalsContact CD1-CA 3.5Å; I166-L293 PolarHBondContact N-O 3.33Å; I166-I294 HydrophobicContact CB-CG1 4.38Å; I166-I294 CarbonylContact O-C 3.51Å; I166-I294 WeakPolarHBondContact O-CA 3.49Å; I166-A295 PolarHBondContact O-N 2.99Å
167I94.2Very high88.2Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-102.8109.6173.1-60.1179.2000108.3L157 K175 L178 L179 I276 V277 T278 T279 A295 V297L157-I167 HydrophobicContact CD2-CD1 3.98Å; I167-K175 HydrophobicContact CG2-CG 4.49Å; I167-L178 HydrophobicContact CD1-CD2 4.09Å; I167-L178 HydrophobicContact CG2-CD2 4.32Å; I167-L179 HydrophobicContact CD1-CD2 4.26Å; I167-I276 HydrophobicContact CD1-CG2 3.49Å; I167-I276 VanDerWaalsContact CD1-CG2 3.49Å; I167-I276 HydrophobicContact CG1-CG2 3.87Å; I167-V277 PolarHBondContact N-O 3.07Å; I167-T278 HydrophobicContact CB-CG2 4.1Å; I167-T278 HydrophobicContact CG2-CG2 4.4Å; I167-T278 VanDerWaalsContact O-CA 3.26Å; I167-T278 WeakPolarHBondContact O-CA 3.18Å; I167-T279 PolarHBondContact O-N 3.19Å; I167-A295 CarbonylContact C-O 3.55Å; I167-A295 WeakPolarHBondContact CA-O 3.21Å; I167-V297 HydrophobicContact CG2-CG2 3.6Å
168E88.4Confident88.3Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-104.2169.9176.870.8158.3-179.700113.2K142 T279 L284 A295 E296 V297K142-E168 WeakPolarHBondContact CD-OE1 3.44Å; K142-E168 WeakPolarHBondContact CE-OE1 3.47Å; K142-E168 IonicContact NZ-OE1 2.68Å; K142-E168 PolarHBondContact NZ-OE1 2.82Å; E168-T279 WeakPolarHBondContact CA-O 3.45Å; E168-T279 HydrophobicContact CB-CG2 4.21Å; E168-L284 WeakPolarHBondContact OE2-CD2 3.3Å; E168-A295 PolarHBondContact N-O 3Å; E168-E296 HydrophobicContact CG-CB 4.18Å; E168-E296 HydrophobicContact CG-CG 4.41Å; E168-E296 CarbonylContact O-C 3.38Å; E168-E296 WeakPolarHBondContact O-CA 3.35Å; E168-V297 PolarHBondContact O-N 2.84Å
169G81.9Confident88.5Confident0 Ų028 Ų280%016%0.162CC..  trans158.2162.5175.800000110.8K175 T280 T281G169-K175 PolarHBondContact O-NZ 2.74Å; G169-T280 WeakPolarHBondContact O-CA 3.32Å; G169-T281 VanDerWaalsContact C-OG1 3.26Å; G169-T281 WeakPolarHBondContact CA-OG1 3.47Å; G169-T281 PolarHBondContact O-N 3.01Å
170E79.1Confident88.8Confident101 Ų10122.7 Ų22.747%0.47214%0.137SC..  trans-59.5162.1177.4-62.3179.2170.600112.4G172 K173 K175 T281E170-G172 PolarHBondContact O-N 3.19Å; E170-K173 HydrophobicContact CB-CG 3.83Å; E170-K173 WeakPolarHBondContact O-CB 3.33Å; E170-K173 VanDerWaalsContact O-CG 3.26Å; E170-K173 WeakPolarHBondContact O-CG 3.44Å; E170-K173 PolarHBondContact O-N 2.96Å; E170-K173 WeakPolarHBondContact OE2-CE 3.28Å; E170-K173 IonicContact OE2-NZ 3.69Å; E170-K175 PolarHBondContact O-NZ 3.21Å; E170-T281 PolarHBondContact N-OG1 3.42Å
171S79.8Confident89.1Confident32 Ų3222.9 Ų22.922%0.22413%0.129CC..THydrogen-bonded Turntrans-59.2138.1176-162.60000110.9K173 H443 S445S171-K173 VanDerWaalsContact C-N 3.32Å; S171-K173 PolarHBondContact O-N 2.88Å; S171-H443 PolarHBondContact OG-CE1 2.83Å; S171-S445 WeakPolarHBondContact CB-OG 3.35Å; S171-S445 PolarHBondContact OG-OG 2.81Å
172G82.8Confident89.4Confident11 Ų1122.2 Ų22.211%0.11313%0.126CC..THydrogen-bonded Turntrans78.11.7-179.100000116.6E170 G174 P338 L339E170-G172 PolarHBondContact O-N 3.19Å; G172-G174 PolarHBondContact O-N 3.17Å; G172-G174 VanDerWaalsContact O-N 3.16Å; G172-P338 WeakPolarHBondContact O-CD 3.34Å; G172-L339 PolarHBondContact O-N 3.31Å
173K86.5Confident89.7Confident12 Ų1217.7 Ų17.75%0.05210%0.104CC..SBendtrans-68.2-3.6177.2-68.5-73.8179.7-176.90115.4E170 S171 V297 D299 K336 T337E170-K173 HydrophobicContact CB-CG 3.83Å; E170-K173 WeakPolarHBondContact O-CB 3.33Å; E170-K173 VanDerWaalsContact O-CG 3.26Å; E170-K173 WeakPolarHBondContact O-CG 3.44Å; E170-K173 PolarHBondContact O-N 2.96Å; E170-K173 WeakPolarHBondContact OE2-CE 3.28Å; E170-K173 IonicContact OE2-NZ 3.69Å; S171-K173 VanDerWaalsContact C-N 3.32Å; S171-K173 PolarHBondContact O-N 2.88Å; K173-V297 HydrophobicContact CB-CB 4.36Å; K173-V297 HydrophobicContact CB-CG1 4.11Å; K173-V297 WeakPolarHBondContact O-CG1 3.47Å; K173-D299 IonicContact NZ-OD1 3.68Å; K173-D299 PolarHBondContact NZ-OD1 3.35Å; K173-K336 PolarHBondContact NZ-O 3.2Å; K173-T337 WeakPolarHBondContact CE-OG1 3.44Å; K173-T337 PolarHBondContact NZ-OG1 3.28Å
174G88.4Confident90.3Very high24 Ų2417.1 Ų17.125%0.24710%0.099CC..SBendtrans89.617.6177.600000115.8G172 S176 T177 L178G172-G174 PolarHBondContact O-N 3.17Å; G172-G174 VanDerWaalsContact O-N 3.16Å; G174-S176 PolarHBondContact O-N 3.17Å; G174-T177 WeakPolarHBondContact O-CB 3.47Å; G174-T177 PolarHBondContact O-N 3.11Å; G174-L178 PolarHBondContact O-N 3.4Å
175K92.2Very high90.5Very high16 Ų1618 Ų187%0.0710%0.103CC..Hα-helixtrans-55.2-45.5178.4-61.2-178-65.1-79.60113.3I167 G169 E170 L178 L179 T278 T279 V297I167-K175 HydrophobicContact CG2-CG 4.49Å; G169-K175 PolarHBondContact O-NZ 2.74Å; E170-K175 PolarHBondContact O-NZ 3.21Å; K175-L178 WeakPolarHBondContact O-CB 3.32Å; K175-L178 PolarHBondContact O-N 2.89Å; K175-L179 PolarHBondContact O-N 3.15Å; K175-L179 VanDerWaalsContact O-N 3.15Å; K175-T278 HydrophobicContact CB-CG2 3.85Å; K175-T279 VanDerWaalsContact CD-O 3.23Å; K175-T279 WeakPolarHBondContact CD-O 3.5Å; K175-T279 WeakPolarHBondContact CE-O 3.37Å; K175-V297 HydrophobicContact CG-CG2 3.92Å
176S90.8Very high90.5Very high51 Ų5118.6 Ų18.636%0.35711%0.105SC..Hα-helixtrans-62.9-44.9177.4-54.10000111.6G174 L178 L179 Q180 D248G174-S176 PolarHBondContact O-N 3.17Å; S176-L178 VanDerWaalsContact C-N 3.27Å; S176-L178 PolarHBondContact O-N 3.46Å; S176-L179 PolarHBondContact O-N 2.86Å; S176-Q180 WeakPolarHBondContact O-CG 3.44Å; S176-Q180 PolarHBondContact O-N 3.34Å; S176-D248 WeakPolarHBondContact CA-OD1 3.35Å; S176-D248 WeakPolarHBondContact CB-OD1 3.5Å; S176-D248 WeakPolarHBondContact CB-OD2 3.46Å; S176-D248 VanDerWaalsContact OG-CG 3.24Å; S176-D248 PolarHBondContact OG-OD1 3.45Å; S176-D248 PolarHBondContact OG-OD2 3.5Å
177T93Very high90.4Very high26 Ų2619 Ų1916%0.1611%0.11CC..Hα-helixtrans-60.2-37175.6-43.30000111.7F117 F128 L130 F134 G174 Q180 R181F117-T177 HydrophobicContact CE1-CG2 4.38Å; F117-T177 HydrophobicContact CZ-CG2 4.12Å; F128-T177 HydrophobicContact CE1-CG2 3.99Å; L130-T177 HydrophobicContact CD2-CG2 3.65Å; F134-T177 HydrophobicContact CD2-CG2 4.06Å; F134-T177 HydrophobicContact CE2-CG2 4.4Å; G174-T177 WeakPolarHBondContact O-CB 3.47Å; G174-T177 PolarHBondContact O-N 3.11Å; T177-Q180 PolarHBondContact O-N 3Å; T177-R181 WeakPolarHBondContact O-CB 3.5Å; T177-R181 PolarHBondContact O-N 3.05Å
178L94.6Very high90.2Very high1 Ų120.8 Ų20.81%0.00512%0.123CC..Hα-helixtrans-63.2-45175.1-175.161.1000112.1F134 P137 L139 L154 I167 G174 K175 S176 R181 I182 V297F134-L178 HydrophobicContact CZ-CD1 4.33Å; P137-L178 HydrophobicContact CG-CD1 3.84Å; P137-L178 HydrophobicContact CG-CD2 4.47Å; L139-L178 HydrophobicContact CD2-CD2 3.91Å; L154-L178 HydrophobicContact CD1-CD1 3.77Å; L154-L178 HydrophobicContact CD2-CD1 4.12Å; L154-L178 HydrophobicContact CG-CD1 4.45Å; I167-L178 HydrophobicContact CD1-CD2 4.09Å; I167-L178 HydrophobicContact CG2-CD2 4.32Å; G174-L178 PolarHBondContact O-N 3.4Å; K175-L178 WeakPolarHBondContact O-CB 3.32Å; K175-L178 PolarHBondContact O-N 2.89Å; S176-L178 VanDerWaalsContact C-N 3.27Å; S176-L178 PolarHBondContact O-N 3.46Å; L178-R181 WeakPolarHBondContact O-CB 3.41Å; L178-R181 PolarHBondContact O-N 3.49Å; L178-I182 WeakPolarHBondContact O-CG1 3.42Å; L178-I182 PolarHBondContact O-N 3.16Å; L178-V297 HydrophobicContact CD2-CG2 4.27Å
179L95.8Very high90Very high0 Ų023.1 Ų23.10%015%0.146CC..Hα-helixtrans-64.3-42.5175.4-66.6-169.6000112.1I167 K175 S176 R181 I182 A183 F202 L246 D248 I276 T278I167-L179 HydrophobicContact CD1-CD2 4.26Å; K175-L179 PolarHBondContact O-N 3.15Å; K175-L179 VanDerWaalsContact O-N 3.15Å; S176-L179 PolarHBondContact O-N 2.86Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 3.16Å; L179-I182 HydrophobicContact CD2-CD1 4.27Å; L179-I182 WeakPolarHBondContact O-CB 3.37Å; L179-I182 PolarHBondContact O-N 2.97Å; L179-I182 VanDerWaalsContact O-N 3.16Å; L179-A183 PolarHBondContact O-N 2.98Å; L179-F202 HydrophobicContact CB-CD2 4.13Å; L179-F202 HydrophobicContact CB-CE2 3.85Å; L179-L246 HydrophobicContact CB-CB 4.4Å; L179-L246 HydrophobicContact CD1-CB 4.27Å; L179-L246 HydrophobicContact CD2-CB 4.41Å; L179-L246 HydrophobicContact CD2-CD2 4.27Å; L179-L246 WeakPolarHBondContact O-CD1 3.37Å; L179-D248 HydrophobicContact CD1-CB 3.88Å; L179-I276 HydrophobicContact CD2-CB 4.3Å; L179-I276 HydrophobicContact CD2-CG2 3.59Å; L179-T278 HydrophobicContact CD1-CG2 3.47Å; L179-T278 VanDerWaalsContact CD1-CG2 3.47Å; L179-T278 HydrophobicContact CD2-CG2 4Å; L179-T278 HydrophobicContact CG-CG2 3.58Å
180Q93.9Very high89.9Confident13 Ų1331.9 Ų31.96%0.06118%0.184CC..Hα-helixtrans-61.5-39.1175.4-67.3176.9-56.200111.5F114 L130 S176 T177 A183 M184 F202F114-Q180 HydrophobicContact CE1-CB 4.17Å; F114-Q180 HydrophobicContact CZ-CB 4.06Å; F114-Q180 HydrophobicContact CZ-CG 4.09Å; L130-Q180 HydrophobicContact CD1-CB 3.79Å; L130-Q180 HydrophobicContact CD2-CB 4.2Å; S176-Q180 WeakPolarHBondContact O-CG 3.44Å; S176-Q180 PolarHBondContact O-N 3.34Å; T177-Q180 PolarHBondContact O-N 3Å; Q180-A183 PolarHBondContact O-N 3.42Å; Q180-M184 WeakPolarHBondContact O-CB 3.26Å; Q180-M184 PolarHBondContact O-N 3.36Å; Q180-F202 HydrophobicContact CG-CE1 4.24Å; Q180-F202 HydrophobicContact CG-CE2 3.87Å; Q180-F202 HydrophobicContact CG-CZ 3.7Å
181R94.2Very high90.2Very high46 Ų4627.9 Ų27.917%0.17417%0.167CC..Hα-helixtrans-61.8-41.8173.5-178.665.5173.9-178.1-0.1111.7L130 F134 L154 T177 L178 L179 M184 L185L130-R181 PolarHBondContact O-NH1 2.8Å; F134-R181 HydrophobicContact CD1-CG 4.25Å; F134-R181 HydrophobicContact CD2-CB 4.2Å; F134-R181 HydrophobicContact CD2-CG 4.22Å; F134-R181 HydrophobicContact CE1-CG 3.87Å; F134-R181 HydrophobicContact CE2-CB 3.75Å; F134-R181 HydrophobicContact CE2-CG 3.83Å; F134-R181 HydrophobicContact CG-CG 4.43Å; F134-R181 HydrophobicContact CZ-CB 4.03Å; F134-R181 HydrophobicContact CZ-CG 3.65Å; L154-R181 HydrophobicContact CD2-CG 4.17Å; T177-R181 WeakPolarHBondContact O-CB 3.5Å; T177-R181 PolarHBondContact O-N 3.05Å; L178-R181 WeakPolarHBondContact O-CB 3.41Å; L178-R181 PolarHBondContact O-N 3.49Å; L179-R181 VanDerWaalsContact C-N 3.28Å; L179-R181 PolarHBondContact O-N 3.16Å; R181-M184 PolarHBondContact O-N 2.84Å; R181-L185 HydrophobicContact CG-CD1 4.06Å; R181-L185 HydrophobicContact CG-CG 4.37Å; R181-L185 WeakPolarHBondContact O-CB 3.39Å; R181-L185 VanDerWaalsContact O-CG 3.25Å; R181-L185 WeakPolarHBondContact O-CG 2.88Å; R181-L185 PolarHBondContact O-N 3.38Å
182I95Very high90.6Very high0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-61.3-46.4175.4-67.3166000110.9L154 L158 L178 L179 M184 L185 W186 L194 L246 I276L154-I182 HydrophobicContact CD1-CD1 4.04Å; L154-I182 HydrophobicContact CD1-CG1 3.86Å; L158-I182 HydrophobicContact CD2-CD1 4.24Å; L158-I182 HydrophobicContact CD2-CG1 4.37Å; L158-I182 HydrophobicContact CD2-CG2 4.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.42Å; L178-I182 PolarHBondContact O-N 3.16Å; L179-I182 HydrophobicContact CD2-CD1 4.27Å; L179-I182 WeakPolarHBondContact O-CB 3.37Å; L179-I182 PolarHBondContact O-N 2.97Å; L179-I182 VanDerWaalsContact O-N 3.16Å; I182-M184 PolarHBondContact O-N 3.5Å; I182-L185 PolarHBondContact O-N 2.98Å; I182-W186 PolarHBondContact O-N 2.6Å; I182-L194 HydrophobicContact CG2-CD1 4.15Å; I182-L194 HydrophobicContact CG2-CD2 4.01Å; I182-L246 HydrophobicContact CB-CD1 4.17Å; I182-L246 HydrophobicContact CG2-CD1 3.99Å; I182-L246 HydrophobicContact CG2-CD2 4.08Å; I182-I276 HydrophobicContact CD1-CD1 4.23Å
183A94.5Very high90.9Very high0 Ų034.3 Ų34.30%019%0.193CC..Hα-helixtrans-59.8-45.3177.300000111.9Y109 F114 L179 Q180 W186 G187 F202 L246Y109-A183 HydrophobicContact CD1-CB 3.94Å; Y109-A183 HydrophobicContact CD2-CB 4.04Å; Y109-A183 WeakPolarHBondContact CD2-O 3.1Å; Y109-A183 HydrophobicContact CE1-CB 3.93Å; Y109-A183 HydrophobicContact CE2-CB 4.03Å; Y109-A183 HydrophobicContact CG-CB 4.01Å; F114-A183 HydrophobicContact CE1-CB 4.2Å; F114-A183 HydrophobicContact CZ-CB 3.93Å; L179-A183 PolarHBondContact O-N 2.98Å; Q180-A183 PolarHBondContact O-N 3.42Å; A183-W186 PolarHBondContact O-N 3.17Å; A183-G187 PolarHBondContact O-N 2.96Å; A183-F202 HydrophobicContact CB-CB 4.47Å; A183-L246 HydrophobicContact CB-CD1 3.91Å
184M93.9Very high91.2Very high16 Ų1633.8 Ų33.88%0.07919%0.191CC..Hα-helixtrans-60.9-46.3175.4-178.9-150.5159.800111.9L115 L130 K131 Q180 R181 I182 W186 G187 S188L115-M184 HydrophobicContact CD2-CE 4.27Å; L115-M184 HydrophobicContact CD2-CG 3.67Å; L115-M184 HydrophobicContact CD2-SD 3.87Å; L130-M184 HydrophobicContact CB-SD 3.97Å; K131-M184 HydrophobicContact CD-CE 4.26Å; K131-M184 HydrophobicContact CG-CE 3.54Å; K131-M184 HydrophobicContact CG-SD 4.41Å; Q180-M184 WeakPolarHBondContact O-CB 3.26Å; Q180-M184 PolarHBondContact O-N 3.36Å; R181-M184 PolarHBondContact O-N 2.84Å; I182-M184 PolarHBondContact O-N 3.5Å; M184-W186 VanDerWaalsContact C-N 3.34Å; M184-W186 PolarHBondContact O-N 3.22Å; M184-G187 PolarHBondContact O-N 3.06Å; M184-S188 PolarHBondContact O-N 2.87Å
185L93.1Very high91.2Very high30 Ų3037.2 Ų37.216%0.15721%0.207CC..Hα-helixtrans-62.5-40.9179.6-75.1173.5000111.6L154 R181 I182 S188 C191 L194L154-L185 HydrophobicContact CD2-CD1 3.8Å; R181-L185 HydrophobicContact CG-CD1 4.06Å; R181-L185 HydrophobicContact CG-CG 4.37Å; R181-L185 WeakPolarHBondContact O-CB 3.39Å; R181-L185 VanDerWaalsContact O-CG 3.25Å; R181-L185 WeakPolarHBondContact O-CG 2.88Å; R181-L185 PolarHBondContact O-N 3.38Å; I182-L185 PolarHBondContact O-N 2.98Å; L185-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-OG 2.99Å; L185-C191 HydrophobicContact CB-CB 4.19Å; L185-L194 HydrophobicContact CB-CD1 3.84Å
186W95.1Very high91.1Very high11 Ų1141.2 Ų41.24%0.04222%0.224CC..Hα-helixtrans-61.5-46.5172.2171.679.6000111.3L105 K106 Y109 I182 A183 M184 S188 G189 L194 F197 K198 V200L105-W186 HydrophobicContact CB-CH2 3.76Å; L105-W186 HydrophobicContact CB-CZ3 3.79Å; L105-W186 HydrophobicContact CD1-CH2 4.4Å; K106-W186 HydrophobicContact CB-CZ3 4.47Å; K106-W186 HydrophobicContact CG-CE3 4.21Å; K106-W186 HydrophobicContact CG-CH2 3.68Å; K106-W186 HydrophobicContact CG-CZ2 4.2Å; K106-W186 HydrophobicContact CG-CZ3 3.68Å; Y109-W186 AromaticContact CD2-CE3 3.73Å; Y109-W186 HydrophobicContact CD2-CE3 3.73Å; Y109-W186 AromaticContact CD2-CZ3 3.76Å; Y109-W186 HydrophobicContact CD2-CZ3 3.76Å; Y109-W186 AromaticContact CE2-CE3 3.75Å; Y109-W186 HydrophobicContact CE2-CE3 3.75Å; Y109-W186 AromaticContact CE2-CZ3 3.62Å; Y109-W186 HydrophobicContact CE2-CZ3 3.62Å; I182-W186 PolarHBondContact O-N 2.6Å; A183-W186 PolarHBondContact O-N 3.17Å; M184-W186 VanDerWaalsContact C-N 3.34Å; M184-W186 PolarHBondContact O-N 3.22Å; W186-S188 PolarHBondContact O-N 2.93Å; W186-G189 PolarHBondContact O-N 2.96Å; W186-G189 VanDerWaalsContact O-N 3.11Å; W186-L194 HydrophobicContact CB-CB 4.12Å; W186-L194 HydrophobicContact CB-CD1 3.95Å; W186-F197 PolarHBondContact NE1-O 3.06Å; W186-K198 WeakPolarHBondContact CZ2-O 3.4Å; W186-V200 HydrophobicContact CB-CB 4.49Å; W186-V200 HydrophobicContact CB-CG2 3.92Å; W186-V200 VanDerWaalsContact CD1-CG2 3.43Å; W186-V200 HydrophobicContact CD2-CB 3.66Å; W186-V200 HydrophobicContact CD2-CG2 3.39Å; W186-V200 HydrophobicContact CE3-CB 3.78Å; W186-V200 HydrophobicContact CE3-CG2 4.06Å; W186-V200 HydrophobicContact CG-CB 3.99Å; W186-V200 HydrophobicContact CG-CG2 3.29Å; W186-V200 HydrophobicContact CZ2-CG2 4.41Å; W186-V200 HydrophobicContact CZ3-CB 4.29Å
187G91.8Very high91.3Very high10 Ų1039.2 Ų39.210%0.10321%0.209CC..Hα-helixtrans-55.3-36.3177.300000113.1A183 M184 G189A183-G187 PolarHBondContact O-N 2.96Å; M184-G187 PolarHBondContact O-N 3.06Å; G187-G189 VanDerWaalsContact C-N 3.27Å; G187-G189 PolarHBondContact O-N 3.42Å
188S89.1Confident91.3Very high37 Ų3740.9 Ų40.926%0.25921%0.214SC..THydrogen-bonded Turntrans-75.5-16.6-17676.40000113.6H110 M184 L185 W186 K190H110-S188 PolarHBondContact CE1-N 3.12Å; M184-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-N 2.87Å; L185-S188 PolarHBondContact O-OG 2.99Å; W186-S188 PolarHBondContact O-N 2.93Å; S188-K190 PolarHBondContact O-N 2.91Å; S188-K190 VanDerWaalsContact O-N 3.15Å; S188-K190 PolarHBondContact OG-N 3.5Å
189G84.7Confident91.2Very high48 Ų4840.9 Ų40.950%0.49521%0.214SC..THydrogen-bonded Turntrans68.11.9-174.500000115.4W186 G187W186-G189 PolarHBondContact O-N 2.96Å; W186-G189 VanDerWaalsContact O-N 3.11Å; G187-G189 VanDerWaalsContact C-N 3.27Å; G187-G189 PolarHBondContact O-N 3.42Å
190K79.5Confident91.2Very high184 Ų18440.9 Ų40.980%0.821%0.214SC*.  trans-87.4-11.7-173.9-62.7-176.7-178.7-177.50114.7S188S188-K190 PolarHBondContact O-N 2.91Å; S188-K190 VanDerWaalsContact O-N 3.15Å; S188-K190 PolarHBondContact OG-N 3.5Å
191C86.6Confident91.2Very high17 Ų1740.4 Ų40.412%0.11521%0.212CC..  trans-100.2106.7-178.9-177.80000110.7L185 A193 L194 T195L185-C191 HydrophobicContact CB-CB 4.19Å; C191-A193 VanDerWaalsContact C-N 3.28Å; C191-A193 PolarHBondContact O-N 3.16Å; C191-L194 HydrophobicContact CB-CB 4.34Å; C191-L194 HydrophobicContact CB-CD1 3.96Å; C191-L194 HydrophobicContact CB-CG 4.27Å; C191-L194 PolarHBondContact O-N 3.01Å; C191-T195 PolarHBondContact O-N 3.41Å
192E87.9Confident91.2Very high166 Ų16638.9 Ų38.978%0.77621%0.207SC*.Hα-helixtrans-56.8-38-177.9-67.1-175171.700113.2L194 T195E192-L194 PolarHBondContact O-N 3.38Å; E192-L194 VanDerWaalsContact O-N 3.11Å; E192-T195 PolarHBondContact O-N 3.02Å; E192-T195 PolarHBondContact O-OG1 3.24Å
193A88.5Confident91.1Very high12 Ų1238.9 Ų38.910%0.09921%0.207CC..Hα-helixtrans-63-21.4179.600000113.2L158 Q159 C191 K196L158-A193 HydrophobicContact CB-CB 3.69Å; Q159-A193 HydrophobicContact CG-CB 4.14Å; C191-A193 VanDerWaalsContact C-N 3.28Å; C191-A193 PolarHBondContact O-N 3.16Å; A193-K196 VanDerWaalsContact O-CE 3.26Å; A193-K196 WeakPolarHBondContact O-CE 3.23Å
194L92.8Very high90.9Very high1 Ų143.1 Ų43.11%0.00522%0.222CC..Hα-helixtrans-98.4-13.6-178.4-63.8173.4000113.3L158 I182 L185 W186 C191 E192 K196 F197 L244L158-L194 HydrophobicContact CD1-CD1 4.07Å; L158-L194 HydrophobicContact CD1-CD2 4.12Å; L158-L194 HydrophobicContact CD1-CG 4.03Å; L158-L194 HydrophobicContact CD2-CD2 3.89Å; I182-L194 HydrophobicContact CG2-CD1 4.15Å; I182-L194 HydrophobicContact CG2-CD2 4.01Å; L185-L194 HydrophobicContact CB-CD1 3.84Å; W186-L194 HydrophobicContact CB-CB 4.12Å; W186-L194 HydrophobicContact CB-CD1 3.95Å; C191-L194 HydrophobicContact CB-CB 4.34Å; C191-L194 HydrophobicContact CB-CD1 3.96Å; C191-L194 HydrophobicContact CB-CG 4.27Å; C191-L194 PolarHBondContact O-N 3.01Å; E192-L194 PolarHBondContact O-N 3.38Å; E192-L194 VanDerWaalsContact O-N 3.11Å; L194-K196 PolarHBondContact O-N 3.27Å; L194-F197 HydrophobicContact CD2-CD2 4.02Å; L194-F197 HydrophobicContact CD2-CE2 4.07Å; L194-F197 PolarHBondContact O-N 3.26Å; L194-L244 HydrophobicContact CD2-CD2 4.35Å
195T89.3Confident90.6Very high96 Ų9642.4 Ų42.459%0.58922%0.219SC*.Hα-helixtrans-66.9-20.6-177.861.60000113.2C191 E192 F197C191-T195 PolarHBondContact O-N 3.41Å; E192-T195 PolarHBondContact O-N 3.02Å; E192-T195 PolarHBondContact O-OG1 3.24Å; T195-F197 PolarHBondContact O-N 3.43Å
196K89.8Confident90.1Very high100 Ų10042.9 Ų42.944%0.43523%0.225SC..THydrogen-bonded Turntrans-65.1-18.1172.668.2-174.7176.5-169.50113.8A193 L194A193-K196 VanDerWaalsContact O-CE 3.26Å; A193-K196 WeakPolarHBondContact O-CE 3.23Å; L194-K196 PolarHBondContact O-N 3.27Å
197F94.4Very high89.5Confident9 Ų945.3 Ų45.34%0.03923%0.234CC..  trans-92.8122.5-179.6-60.7-64.8000111.4L161 W186 L194 T195 V200 Q241 R242 L244 M274L161-F197 HydrophobicContact CD2-CE2 4.49Å; L161-F197 HydrophobicContact CD2-CZ 4.05Å; W186-F197 PolarHBondContact NE1-O 3.06Å; L194-F197 HydrophobicContact CD2-CD2 4.02Å; L194-F197 HydrophobicContact CD2-CE2 4.07Å; L194-F197 PolarHBondContact O-N 3.26Å; T195-F197 PolarHBondContact O-N 3.43Å; F197-V200 HydrophobicContact CB-CG2 4.04Å; F197-Q241 WeakPolarHBondContact CD1-O 3.32Å; F197-Q241 VanDerWaalsContact CE1-O 3.3Å; F197-Q241 WeakPolarHBondContact CE1-O 3.4Å; F197-R242 CarbonylContact C-O 3.5Å; F197-R242 WeakPolarHBondContact CA-O 3.45Å; F197-L244 HydrophobicContact CD1-CB 3.73Å; F197-L244 HydrophobicContact CD2-CB 4.32Å; F197-L244 HydrophobicContact CD2-CD2 3.99Å; F197-L244 HydrophobicContact CE1-CB 3.92Å; F197-L244 HydrophobicContact CE1-CD1 4.48Å; F197-L244 HydrophobicContact CE2-CB 4.49Å; F197-L244 HydrophobicContact CE2-CD2 3.86Å; F197-L244 HydrophobicContact CG-CB 3.95Å; F197-L244 HydrophobicContact CG-CD2 4.45Å; F197-L244 HydrophobicContact CZ-CB 4.29Å; F197-L244 HydrophobicContact CZ-CD1 4.32Å; F197-L244 HydrophobicContact CZ-CD2 4.19Å; F197-M274 HydrophobicContact CE1-CB 3.88Å; F197-M274 HydrophobicContact CE1-CG 3.73Å; F197-M274 HydrophobicContact CZ-CB 4.36Å; F197-M274 HydrophobicContact CZ-CG 4.27Å
198K92.4Very high89.1Confident62 Ų6244.9 Ų44.927%0.2723%0.23SC..SBendtrans-71-39.1171.1-177.661.8-177.9178.40111.7D99 W186 L239 R242D99-K198 IonicContact OD1-NZ 2.49Å; D99-K198 PolarHBondContact OD1-NZ 3.05Å; W186-K198 WeakPolarHBondContact CZ2-O 3.4Å; K198-L239 HydrophobicContact CG-CD1 4.29Å; K198-R242 HydrophobicContact CB-CB 4.22Å; K198-R242 PolarHBondContact N-O 2.95Å
199F92.8Very high88.8Confident0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-133.8139.1-179.9-65-62.2000111.1L98 L101 A102 L105 F201 M235 L239 R242 V243 L244L98-F199 HydrophobicContact CB-CZ 4.24Å; L98-F199 HydrophobicContact CD2-CE2 4.1Å; L98-F199 HydrophobicContact CD2-CZ 3.92Å; L98-F199 WeakPolarHBondContact O-CZ 3.5Å; L101-F199 HydrophobicContact CB-CE1 4.19Å; L101-F199 HydrophobicContact CD2-CE1 4.02Å; L101-F199 HydrophobicContact CD2-CZ 4.09Å; L101-F199 HydrophobicContact CG-CE1 4.01Å; L101-F199 HydrophobicContact CG-CZ 4.49Å; A102-F199 HydrophobicContact CB-CD1 4.03Å; A102-F199 HydrophobicContact CB-CE1 3.65Å; L105-F199 HydrophobicContact CD1-CD1 3.72Å; L105-F199 HydrophobicContact CD1-CE1 4.42Å; F199-F201 HydrophobicContact CB-CD2 4.34Å; F199-F201 HydrophobicContact CB-CE2 3.68Å; F199-F201 HydrophobicContact CB-CZ 3.98Å; F199-F201 HydrophobicContact CD1-CZ 4.42Å; F199-F201 HydrophobicContact CG-CE2 4.26Å; F199-F201 HydrophobicContact CG-CZ 4.17Å; F199-M235 HydrophobicContact CD2-SD 4.12Å; F199-M235 HydrophobicContact CE2-CE 4.35Å; F199-M235 HydrophobicContact CE2-SD 3.83Å; F199-L239 HydrophobicContact CD2-CD1 3.52Å; F199-L239 HydrophobicContact CE2-CD1 3.42Å; F199-L239 VanDerWaalsContact CE2-CD1 3.42Å; F199-R242 PolarHBondContact N-O 3.43Å; F199-V243 HydrophobicContact CB-CG1 4.27Å; F199-V243 HydrophobicContact CB-CG2 4.35Å; F199-V243 HydrophobicContact CD2-CG2 4.15Å; F199-L244 PolarHBondContact O-N 3.49Å
200V95.3Very high88.8Confident0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-126.2117.8169-179.80000108.6Y109 W186 F197 L244 L246Y109-V200 WeakPolarHBondContact CE2-O 3.4Å; Y109-V200 PolarHBondContact OH-O 2.92Å; W186-V200 HydrophobicContact CB-CB 4.49Å; W186-V200 HydrophobicContact CB-CG2 3.92Å; W186-V200 VanDerWaalsContact CD1-CG2 3.43Å; W186-V200 HydrophobicContact CD2-CB 3.66Å; W186-V200 HydrophobicContact CD2-CG2 3.39Å; W186-V200 HydrophobicContact CE3-CB 3.78Å; W186-V200 HydrophobicContact CE3-CG2 4.06Å; W186-V200 HydrophobicContact CG-CB 3.99Å; W186-V200 HydrophobicContact CG-CG2 3.29Å; W186-V200 HydrophobicContact CZ2-CG2 4.41Å; W186-V200 HydrophobicContact CZ3-CB 4.29Å; F197-V200 HydrophobicContact CB-CG2 4.04Å; V200-L244 CarbonylContact C-O 3.56Å; V200-L244 VanDerWaalsContact CA-O 3.31Å; V200-L244 WeakPolarHBondContact CA-O 3.34Å; V200-L244 HydrophobicContact CG1-CD2 4.3Å; V200-L244 HydrophobicContact CG2-CB 4.12Å; V200-L244 HydrophobicContact CG2-CD2 4.19Å; V200-L246 HydrophobicContact CG1-CD1 3.57Å; V200-L246 HydrophobicContact CG1-CG 3.86Å
201F94.8Very high89Confident4 Ų438.9 Ų38.92%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-109117.6179.8-63.7-71.3000110.8L105 F199 L216 F232 L236 V243 L244 F245 L246L105-F201 HydrophobicContact CD1-CD1 4.14Å; L105-F201 HydrophobicContact CD1-CE1 3.64Å; L105-F201 HydrophobicContact CD1-CZ 4.16Å; L105-F201 HydrophobicContact CD2-CD1 4.22Å; L105-F201 HydrophobicContact CD2-CE1 4.23Å; F199-F201 HydrophobicContact CB-CD2 4.34Å; F199-F201 HydrophobicContact CB-CE2 3.68Å; F199-F201 HydrophobicContact CB-CZ 3.98Å; F199-F201 HydrophobicContact CD1-CZ 4.42Å; F199-F201 HydrophobicContact CG-CE2 4.26Å; F199-F201 HydrophobicContact CG-CZ 4.17Å; F201-L216 HydrophobicContact CB-CD2 3.79Å; F201-L216 HydrophobicContact CD1-CD2 3.72Å; F201-L216 HydrophobicContact CG-CD2 3.86Å; F201-F232 HydrophobicContact CE2-CZ 4.36Å; F201-F232 HydrophobicContact CZ-CE2 4.26Å; F201-F232 HydrophobicContact CZ-CZ 4Å; F201-L236 HydrophobicContact CE2-CD2 4.27Å; F201-V243 HydrophobicContact CD2-CG1 3.85Å; F201-V243 HydrophobicContact CE2-CG1 3.81Å; F201-L244 PolarHBondContact N-O 3.34Å; F201-F245 HydrophobicContact CB-CD1 3.77Å; F201-F245 HydrophobicContact CB-CE1 3.95Å; F201-F245 HydrophobicContact CD2-CD1 4.05Å; F201-F245 AromaticContact CD2-CE1 3.52Å; F201-F245 HydrophobicContact CD2-CE1 3.52Å; F201-F245 AromaticContact CD2-CZ 3.93Å; F201-F245 HydrophobicContact CD2-CZ 3.93Å; F201-F245 HydrophobicContact CE2-CE1 4.35Å; F201-F245 HydrophobicContact CE2-CZ 4.42Å; F201-F245 HydrophobicContact CG-CD1 4.31Å; F201-F245 HydrophobicContact CG-CE1 4.01Å; F201-L246 PolarHBondContact O-N 2.72Å
202F94.6Very high89Confident13 Ų1338 Ų386%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-92.3118.2172.4176.5-99.8000110.8Y109 F114 L179 Q180 A183 R204 V220 L246 D248Y109-F202 HydrophobicContact CE1-CB 4.03Å; Y109-F202 PolarHBondContact OH-N 3.29Å; F114-F202 AromaticContact CE2-CD1 3.93Å; F114-F202 HydrophobicContact CE2-CD1 3.93Å; F114-F202 HydrophobicContact CE2-CE1 4.41Å; F114-F202 HydrophobicContact CE2-CG 4.4Å; F114-F202 HydrophobicContact CZ-CD1 4.38Å; F114-F202 HydrophobicContact CZ-CG 4.45Å; L179-F202 HydrophobicContact CB-CD2 4.13Å; L179-F202 HydrophobicContact CB-CE2 3.85Å; Q180-F202 HydrophobicContact CG-CE1 4.24Å; Q180-F202 HydrophobicContact CG-CE2 3.87Å; Q180-F202 HydrophobicContact CG-CZ 3.7Å; A183-F202 HydrophobicContact CB-CB 4.47Å; F202-R204 HydrophobicContact CE1-CG 3.88Å; F202-R204 HydrophobicContact CZ-CG 4.13Å; F202-V220 VanDerWaalsContact O-CG2 3.3Å; F202-V220 WeakPolarHBondContact O-CG2 3.34Å; F202-L246 HydrophobicContact CD2-CB 4.15Å; F202-D248 HydrophobicContact CE2-CB 3.95Å; F202-D248 HydrophobicContact CZ-CB 4.12Å
203I93.1Very high88.9Confident0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-124.8129.2-176.8-55.8179.3000109.5L212 T215 L216 F245 L246 L247 D248 I261I203-L212 HydrophobicContact CD1-CD1 3.88Å; I203-T215 HydrophobicContact CG2-CG2 3.69Å; I203-L216 HydrophobicContact CD1-CD2 3.6Å; I203-L216 HydrophobicContact CD1-CG 4.09Å; I203-L216 HydrophobicContact CG1-CD2 3.78Å; I203-F245 HydrophobicContact CD1-CD1 4.07Å; I203-F245 HydrophobicContact CD1-CE1 4.49Å; I203-L246 PolarHBondContact N-O 2.99Å; I203-L247 HydrophobicContact CB-CD2 3.92Å; I203-L247 HydrophobicContact CD1-CD2 3.87Å; I203-L247 HydrophobicContact CG1-CD2 4.25Å; I203-D248 PolarHBondContact O-N 3.24Å; I203-I261 HydrophobicContact CG2-CD1 4.42Å
204R89.5Confident88.8Confident89 Ų8934.2 Ų34.234%0.33618%0.175SC..EExtended strand (participates in β ladder)trans-86.8116.5167.8-56.9-172.3-166.5-155.52109.5F202 S206 R207 Q219F202-R204 HydrophobicContact CE1-CG 3.88Å; F202-R204 HydrophobicContact CZ-CG 4.13Å; R204-S206 VanDerWaalsContact C-N 3.31Å; R204-S206 PolarHBondContact O-N 3.47Å; R204-R207 PolarHBondContact O-N 2.93Å; R204-R207 VanDerWaalsContact O-N 3.14Å; R204-Q219 PolarHBondContact O-NE2 2.98Å; R204-Q219 PolarHBondContact O-OE1 2.97Å
205L88.4Confident88.6Confident2 Ų234.2 Ų34.21%0.0118%0.175CC..G310 helixtrans-69-28.7-175.5-67.8179000113R207 A208 L247 D248 Y250 F253 I261 V277L205-R207 PolarHBondContact O-N 3.39Å; L205-A208 WeakPolarHBondContact O-CB 3.34Å; L205-A208 PolarHBondContact O-N 2.65Å; L205-A208 VanDerWaalsContact O-N 3.09Å; L205-L247 HydrophobicContact CD1-CB 4.03Å; L205-L247 HydrophobicContact CD2-CB 4.12Å; L205-L247 HydrophobicContact CD2-CD2 4.33Å; L205-L247 HydrophobicContact CG-CB 4.12Å; L205-D248 WeakPolarHBondContact CB-O 3.38Å; L205-D248 PolarHBondContact N-O 2.89Å; L205-Y250 HydrophobicContact CD1-CD2 4.18Å; L205-F253 HydrophobicContact CB-CB 3.85Å; L205-F253 HydrophobicContact CB-CD2 3.99Å; L205-F253 HydrophobicContact CB-CG 4.06Å; L205-F253 HydrophobicContact CD1-CB 4.24Å; L205-F253 HydrophobicContact CD1-CG 4.38Å; L205-F253 HydrophobicContact CD2-CD2 4.29Å; L205-F253 HydrophobicContact CD2-CG 4.46Å; L205-F253 WeakPolarHBondContact O-CD2 3.44Å; L205-I261 HydrophobicContact CD2-CG2 3.49Å; L205-I261 VanDerWaalsContact CD2-CG2 3.49Å; L205-V277 HydrophobicContact CD1-CG2 4.26Å
206S81.9Confident88.4Confident40 Ų4029.7 Ų29.728%0.2815%0.147SC..G310 helixtrans-58.2-20.7172.854.50000113.7R204 E252R204-S206 VanDerWaalsContact C-N 3.31Å; R204-S206 PolarHBondContact O-N 3.47Å; S206-E252 WeakPolarHBondContact CB-OE2 3.2Å
207R82.5Confident88.1Confident61 Ų6126.9 Ų26.923%0.2314%0.14CC..G310 helixtrans-107.60.7-179.7-70.2-179158.2-166.1-4.1114.1R204 L205 Q209R204-R207 PolarHBondContact O-N 2.93Å; R204-R207 VanDerWaalsContact O-N 3.14Å; L205-R207 PolarHBondContact O-N 3.39Å; R207-Q209 PolarHBondContact O-N 2.82Å
208A83.9Confident87.4Confident1 Ų130.8 Ų30.81%0.00816%0.162CC..  trans-67.6127.418000000111.3L205 T215 F253 N257 C258 I261L205-A208 WeakPolarHBondContact O-CB 3.34Å; L205-A208 PolarHBondContact O-N 2.65Å; L205-A208 VanDerWaalsContact O-N 3.09Å; A208-T215 HydrophobicContact CB-CG2 4.06Å; A208-F253 HydrophobicContact CB-CD2 4.22Å; A208-F253 HydrophobicContact CB-CE2 3.79Å; A208-N257 WeakPolarHBondContact O-CB 3.48Å; A208-C258 HydrophobicContact CB-CB 4.07Å; A208-I261 HydrophobicContact CB-CD1 3.88Å
209Q82.3Confident86.8Confident92 Ų9229.3 Ų29.343%0.4316%0.155SC..  trans-149.1142.8-179.2-67.8-65.2-31.500109.5R207 T215 N257R207-Q209 PolarHBondContact O-N 2.82Å; Q209-T215 PolarHBondContact N-OG1 2.92Å; Q209-T215 PolarHBondContact O-OG1 2.92Å; Q209-T215 VanDerWaalsContact O-OG1 3.07Å; Q209-N257 CarbonylContact C-O 3.56Å; Q209-N257 WeakPolarHBondContact CA-O 3.43Å; Q209-N257 PolarHBondContact NE2-ND2 2.8Å
210G85.3Confident85.8Confident49 Ų4929.8 Ų29.851%0.50516%0.158SC..SBendtrans75.5-124.1-178.900000111.7N257 C258G210-N257 PolarHBondContact N-O 2.73Å; G210-C258 WeakPolarHBondContact O-CA 3.43Å; G210-C258 PolarHBondContact O-SG 2.65Å
211G83.9Confident84.3Confident2 Ų231.4 Ų31.42%0.02117%0.167CC..  trans-109.2179.3176.100000113.1F213 E214 T215 E260G211-F213 VanDerWaalsContact C-N 3.33Å; G211-F213 PolarHBondContact O-N 3.48Å; G211-E214 VanDerWaalsContact C-OE2 3.28Å; G211-E214 WeakPolarHBondContact CA-OE2 3.35Å; G211-E214 PolarHBondContact N-OE2 2.66Å; G211-E214 VanDerWaalsContact N-OE2 3.15Å; G211-T215 VanDerWaalsContact O-CB 3.32Å; G211-T215 WeakPolarHBondContact O-CB 3.4Å; G211-T215 PolarHBondContact O-N 3.14Å; G211-T215 PolarHBondContact O-OG1 2.59Å; G211-E260 WeakPolarHBondContact CA-OE2 3.42Å
212L86.4Confident82.8Confident0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-62.5-41.7178.8172.365.5000111I203 L216 M233 L236 F245 E260 I261 L264I203-L212 HydrophobicContact CD1-CD1 3.88Å; L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CG 4.46Å; L212-L216 HydrophobicContact CG-CD1 4.2Å; L212-L216 VanDerWaalsContact O-CG 3.28Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 2.9Å; L212-L216 VanDerWaalsContact O-N 3.09Å; L212-M233 HydrophobicContact CB-CE 3.97Å; L212-M233 HydrophobicContact CD2-CE 4.39Å; L212-L236 HydrophobicContact CD2-CD1 3.88Å; L212-F245 HydrophobicContact CD1-CD1 4.44Å; L212-F245 HydrophobicContact CD1-CE1 3.99Å; L212-F245 HydrophobicContact CD2-CE1 4.37Å; L212-F245 HydrophobicContact CD2-CZ 4.11Å; L212-E260 HydrophobicContact CB-CB 4.21Å; L212-E260 PolarHBondContact N-OE2 3.15Å; L212-I261 HydrophobicContact CB-CG1 4.3Å; L212-I261 HydrophobicContact CD1-CD1 4.27Å; L212-I261 HydrophobicContact CD1-CG1 3.83Å; L212-L264 HydrophobicContact CD1-CD2 4.31Å; L212-L264 HydrophobicContact CD2-CD2 4.36Å
213F85.8Confident81.2Confident27 Ų2739.3 Ų39.312%0.11821%0.21CC..Hα-helixtrans-64.4-50179.2178.2-105.1000111.4G211 T215 L216 C217 I223 I227 K229 F232 M233G211-F213 VanDerWaalsContact C-N 3.33Å; G211-F213 PolarHBondContact O-N 3.48Å; F213-T215 VanDerWaalsContact C-N 3.3Å; F213-T215 PolarHBondContact O-N 3.46Å; F213-L216 WeakPolarHBondContact O-CB 3.49Å; F213-L216 PolarHBondContact O-N 3.05Å; F213-L216 VanDerWaalsContact O-N 3.12Å; F213-C217 PolarHBondContact O-N 2.86Å; F213-C217 PolarHBondContact O-SG 3.2Å; F213-C217 VanDerWaalsContact O-SG 3.33Å; F213-I223 HydrophobicContact CD2-CD1 4.29Å; F213-I223 HydrophobicContact CE2-CD1 3.9Å; F213-I223 HydrophobicContact CE2-CG2 4.26Å; F213-I223 HydrophobicContact CZ-CG2 4.48Å; F213-I227 WeakPolarHBondContact CZ-O 3.43Å; F213-K229 HydrophobicContact CB-CB 4.45Å; F213-K229 HydrophobicContact CB-CD 4.28Å; F213-K229 HydrophobicContact CB-CG 3.93Å; F213-K229 HydrophobicContact CD1-CB 3.74Å; F213-K229 HydrophobicContact CD1-CD 4.47Å; F213-K229 HydrophobicContact CD1-CG 4.11Å; F213-K229 HydrophobicContact CE1-CB 4.14Å; F213-K229 HydrophobicContact CG-CB 4.06Å; F213-K229 HydrophobicContact CG-CG 4.09Å; F213-F232 HydrophobicContact CB-CD1 4.46Å; F213-F232 HydrophobicContact CD2-CB 3.66Å; F213-F232 AromaticContact CD2-CD1 3.58Å; F213-F232 HydrophobicContact CD2-CD1 3.58Å; F213-F232 HydrophobicContact CD2-CD2 4.22Å; F213-F232 HydrophobicContact CD2-CE1 4.26Å; F213-F232 AromaticContact CD2-CG 3.55Å; F213-F232 HydrophobicContact CD2-CG 3.55Å; F213-F232 HydrophobicContact CE2-CB 3.75Å; F213-F232 HydrophobicContact CE2-CD1 4.35Å; F213-F232 HydrophobicContact CE2-CD2 4.23Å; F213-F232 AromaticContact CE2-CG 3.86Å; F213-F232 HydrophobicContact CE2-CG 3.86Å; F213-F232 HydrophobicContact CG-CD1 4.49Å; F213-M233 HydrophobicContact CB-CE 4.45Å
214E85.9Confident79.5Confident70 Ų7042 Ų4233%0.32723%0.227SC..Hα-helixtrans-61.4-40.6179.4-62.481.7177.500111.2G211 L216 C217 D218 K229G211-E214 VanDerWaalsContact C-OE2 3.28Å; G211-E214 WeakPolarHBondContact CA-OE2 3.35Å; G211-E214 PolarHBondContact N-OE2 2.66Å; G211-E214 VanDerWaalsContact N-OE2 3.15Å; E214-L216 VanDerWaalsContact C-N 3.31Å; E214-L216 PolarHBondContact O-N 2.98Å; E214-C217 PolarHBondContact O-N 2.86Å; E214-D218 WeakPolarHBondContact O-CB 3.48Å; E214-D218 PolarHBondContact O-N 3.25Å; E214-K229 VanDerWaalsContact OE1-CD 3.32Å; E214-K229 WeakPolarHBondContact OE1-CD 3.45Å; E214-K229 IonicContact OE1-NZ 2.81Å; E214-K229 PolarHBondContact OE1-NZ 3.04Å; E214-K229 IonicContact OE2-NZ 3.2Å; E214-K229 PolarHBondContact OE2-NZ 3.42Å; E214-K229 VanDerWaalsContact OE2-NZ 3.13Å
215T87.6Confident78Confident1 Ų141.9 Ų41.91%0.00625%0.254CS..Hα-helixtrans-63.4-35.7176.2-64.30000112.5I203 A208 Q209 G211 F213 Q219 I261I203-T215 HydrophobicContact CG2-CG2 3.69Å; A208-T215 HydrophobicContact CB-CG2 4.06Å; Q209-T215 PolarHBondContact N-OG1 2.92Å; Q209-T215 PolarHBondContact O-OG1 2.92Å; Q209-T215 VanDerWaalsContact O-OG1 3.07Å; G211-T215 VanDerWaalsContact O-CB 3.32Å; G211-T215 WeakPolarHBondContact O-CB 3.4Å; G211-T215 PolarHBondContact O-N 3.14Å; G211-T215 PolarHBondContact O-OG1 2.59Å; F213-T215 VanDerWaalsContact C-N 3.3Å; F213-T215 PolarHBondContact O-N 3.46Å; T215-Q219 WeakPolarHBondContact O-CB 3.36Å; T215-Q219 WeakPolarHBondContact O-CG 3.46Å; T215-Q219 PolarHBondContact O-N 2.87Å; T215-I261 HydrophobicContact CG2-CD1 3.94Å
216L86.5Confident76.5Confident1 Ų147.9 Ų47.91%0.00529%0.291CS..Hα-helixtrans-71.7-42.6177.6-75.4167.9000112.1F201 I203 L212 F213 E214 D218 Q219 V220 L221 I223 F232 F245F201-L216 HydrophobicContact CB-CD2 3.79Å; F201-L216 HydrophobicContact CD1-CD2 3.72Å; F201-L216 HydrophobicContact CG-CD2 3.86Å; I203-L216 HydrophobicContact CD1-CD2 3.6Å; I203-L216 HydrophobicContact CD1-CG 4.09Å; I203-L216 HydrophobicContact CG1-CD2 3.78Å; L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CG 4.46Å; L212-L216 HydrophobicContact CG-CD1 4.2Å; L212-L216 VanDerWaalsContact O-CG 3.28Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 2.9Å; L212-L216 VanDerWaalsContact O-N 3.09Å; F213-L216 WeakPolarHBondContact O-CB 3.49Å; F213-L216 PolarHBondContact O-N 3.05Å; F213-L216 VanDerWaalsContact O-N 3.12Å; E214-L216 VanDerWaalsContact C-N 3.31Å; E214-L216 PolarHBondContact O-N 2.98Å; L216-D218 VanDerWaalsContact C-N 3.25Å; L216-D218 PolarHBondContact O-N 3.4Å; L216-Q219 PolarHBondContact O-N 3.3Å; L216-V220 HydrophobicContact CD2-CG2 3.86Å; L216-V220 PolarHBondContact O-N 3.24Å; L216-L221 PolarHBondContact O-N 3.07Å; L216-I223 HydrophobicContact CB-CD1 4.29Å; L216-F232 HydrophobicContact CD1-CE1 3.55Å; L216-F232 HydrophobicContact CD1-CZ 3.52Å; L216-F245 HydrophobicContact CD1-CE1 4.21Å
217C81.8Confident75.8Confident42 Ų4247.1 Ų47.128%0.28428%0.283SS..Hα-helixtrans-58-41.9173.1-62.30000111.2F213 E214 Q219 L221 I223F213-C217 PolarHBondContact O-N 2.86Å; F213-C217 PolarHBondContact O-SG 3.2Å; F213-C217 VanDerWaalsContact O-SG 3.33Å; E214-C217 PolarHBondContact O-N 2.86Å; C217-Q219 PolarHBondContact O-N 3.41Å; C217-L221 CarbonylContact C-O 3.57Å; C217-L221 WeakPolarHBondContact CA-O 3.43Å; C217-I223 VanDerWaalsContact SG-CD1 3.52Å
218D80.1Confident75.3Confident91 Ų9153 Ų5349%0.48731%0.305SS..Hα-helixtrans-71.1-26.9-178-90.418.4000114.2E214 L216 R434E214-D218 WeakPolarHBondContact O-CB 3.48Å; E214-D218 PolarHBondContact O-N 3.25Å; L216-D218 VanDerWaalsContact C-N 3.25Å; L216-D218 PolarHBondContact O-N 3.4Å; D218-R434 IonicContact OD2-NH2 2.75Å
219Q81.1Confident75Confident30 Ų3056 Ų5614%0.1432%0.318CS..Hα-helixtrans-116.6-29.3-167.9-67.3-164.15000115.6R204 T215 L216 C217R204-Q219 PolarHBondContact O-NE2 2.98Å; R204-Q219 PolarHBondContact O-OE1 2.97Å; T215-Q219 WeakPolarHBondContact O-CB 3.36Å; T215-Q219 WeakPolarHBondContact O-CG 3.46Å; T215-Q219 PolarHBondContact O-N 2.87Å; L216-Q219 PolarHBondContact O-N 3.3Å; C217-Q219 PolarHBondContact O-N 3.41Å
220V71.3Confident74.6Confident10 Ų1058.6 Ų58.66%0.06133%0.33CS..THydrogen-bonded Turntrans-115.7-48.9-165.6-170.50000111.6L105 F202 L216L105-V220 HydrophobicContact CD2-CG1 3.38Å; F202-V220 VanDerWaalsContact O-CG2 3.3Å; F202-V220 WeakPolarHBondContact O-CG2 3.34Å; L216-V220 HydrophobicContact CD2-CG2 3.86Å; L216-V220 PolarHBondContact O-N 3.24Å
221L64.4Low74.1Confident34 Ų3458.9 Ų58.918%0.17832%0.323CS..  trans-149.3148.7-174.5-77.7169000111.4L101 D104 L105 L216 C217 I223L101-L221 HydrophobicContact CD1-CD1 3.53Å; D104-L221 HydrophobicContact CB-CD2 4.16Å; L105-L221 HydrophobicContact CD2-CD1 3.47Å; L105-L221 VanDerWaalsContact CD2-CD1 3.47Å; L105-L221 HydrophobicContact CD2-CG 4Å; L105-L221 HydrophobicContact CG-CD1 3.71Å; L216-L221 PolarHBondContact O-N 3.07Å; C217-L221 CarbonylContact C-O 3.57Å; C217-L221 WeakPolarHBondContact CA-O 3.43Å; L221-I223 HydrophobicContact CB-CG1 4.18Å; L221-I223 PolarHBondContact O-N 2.75Å
222D62.5Low73.8Confident165 Ų16558.9 Ų58.988%0.88232%0.322SS*.  trans-72.876.4158.1-146.22.9000107
223I60.7Low73.4Confident19 Ų1960.7 Ų60.710%0.09733%0.331CS..  trans-52.7128.1-176.3-60.5-172.5000107.4F213 L216 C217 L221 G225 I227 F232F213-I223 HydrophobicContact CD2-CD1 4.29Å; F213-I223 HydrophobicContact CE2-CD1 3.9Å; F213-I223 HydrophobicContact CE2-CG2 4.26Å; F213-I223 HydrophobicContact CZ-CG2 4.48Å; L216-I223 HydrophobicContact CB-CD1 4.29Å; C217-I223 VanDerWaalsContact SG-CD1 3.52Å; L221-I223 HydrophobicContact CB-CG1 4.18Å; L221-I223 PolarHBondContact O-N 2.75Å; I223-G225 PolarHBondContact O-N 3.31Å; I223-G225 VanDerWaalsContact O-N 3.15Å; I223-I227 HydrophobicContact CG2-CB 4.05Å; I223-I227 HydrophobicContact CG2-CD1 4.17Å; I223-F232 HydrophobicContact CD1-CE2 4.43Å
224P58.1Low72.8Confident56 Ų5662.1 Ų62.136%0.36435%0.347SS..  trans-49127.4-176.6-27.733000110.3T226 I227P224-T226 WeakPolarHBondContact CB-OG1 3.47Å; P224-T226 PolarHBondContact O-N 2.97Å; P224-I227 PolarHBondContact O-N 2.73Å
225G57.6Low72.6Confident87 Ų8759.4 Ų59.490%0.89734%0.335SS*.THydrogen-bonded Turntrans-58-6.9-177.600000114.6I223I223-G225 PolarHBondContact O-N 3.31Å; I223-G225 VanDerWaalsContact O-N 3.15Å
226T57.2Low72.3Confident128 Ų12859.4 Ų59.479%0.78534%0.335SS*.THydrogen-bonded Turntrans-71.3-27168.826.50000114.3P224 R228P224-T226 WeakPolarHBondContact CB-OG1 3.47Å; P224-T226 PolarHBondContact O-N 2.97Å; T226-R228 PolarHBondContact O-N 2.99Å
227I67.4Low71.7Confident23 Ų2363.7 Ų63.712%0.11836%0.358CS..SBendtrans-90.4106.5-179.8-55.9176.8000109.9I93 L101 F213 I223 P224 F232I93-I227 HydrophobicContact CD1-CD1 4.44Å; I93-I227 HydrophobicContact CD1-CG2 4.38Å; L101-I227 HydrophobicContact CD2-CD1 4.5Å; F213-I227 WeakPolarHBondContact CZ-O 3.43Å; I223-I227 HydrophobicContact CG2-CB 4.05Å; I223-I227 HydrophobicContact CG2-CD1 4.17Å; P224-I227 PolarHBondContact O-N 2.73Å; I227-F232 HydrophobicContact CG2-CB 3.94Å; I227-F232 HydrophobicContact CG2-CD2 4.36Å
228R72.3Confident71.5Confident184 Ų18467.8 Ų67.869%0.69437%0.371SS*.  trans-74.5151.9173.5-64.8-176.5-178.9145.11.7111.4T226 Q230 T231 F232T226-R228 PolarHBondContact O-N 2.99Å; R228-Q230 VanDerWaalsContact C-N 3.27Å; R228-Q230 PolarHBondContact O-N 2.91Å; R228-T231 WeakPolarHBondContact O-CB 3.42Å; R228-T231 PolarHBondContact O-N 3.43Å; R228-F232 PolarHBondContact O-N 3.32Å
229K76.9Confident71.5Confident64 Ų6464.8 Ų64.828%0.27835%0.354SS..Hα-helixtrans-47.4-45.4175.2178.4170.7-177.9162.30113.2F213 E214 T231 F232 M233 E260F213-K229 HydrophobicContact CB-CB 4.45Å; F213-K229 HydrophobicContact CB-CD 4.28Å; F213-K229 HydrophobicContact CB-CG 3.93Å; F213-K229 HydrophobicContact CD1-CB 3.74Å; F213-K229 HydrophobicContact CD1-CD 4.47Å; F213-K229 HydrophobicContact CD1-CG 4.11Å; F213-K229 HydrophobicContact CE1-CB 4.14Å; F213-K229 HydrophobicContact CG-CB 4.06Å; F213-K229 HydrophobicContact CG-CG 4.09Å; E214-K229 VanDerWaalsContact OE1-CD 3.32Å; E214-K229 WeakPolarHBondContact OE1-CD 3.45Å; E214-K229 IonicContact OE1-NZ 2.81Å; E214-K229 PolarHBondContact OE1-NZ 3.04Å; E214-K229 IonicContact OE2-NZ 3.2Å; E214-K229 PolarHBondContact OE2-NZ 3.42Å; E214-K229 VanDerWaalsContact OE2-NZ 3.13Å; K229-T231 PolarHBondContact O-N 3.21Å; K229-F232 PolarHBondContact O-N 3.24Å; K229-M233 HydrophobicContact CG-CG 4.42Å; K229-M233 VanDerWaalsContact O-CG 3.3Å; K229-M233 WeakPolarHBondContact O-CG 3.34Å; K229-M233 PolarHBondContact O-N 2.78Å; K229-E260 IonicContact NZ-OE1 3.83Å; K229-E260 PolarHBondContact NZ-OE1 2.91Å; K229-E260 IonicContact NZ-OE2 2.68Å
230Q73.9Confident71.6Confident147 Ų14770.1 Ų70.169%0.68737%0.373SS*.Hα-helixtrans-63.3-42.8-179.9-62.7113.7-4.900112.2R228 M233 A234R228-Q230 VanDerWaalsContact C-N 3.27Å; R228-Q230 PolarHBondContact O-N 2.91Å; Q230-M233 PolarHBondContact O-N 2.99Å; Q230-A234 WeakPolarHBondContact O-CB 3.5Å; Q230-A234 PolarHBondContact O-N 3.3Å
231T74.2Confident72.2Confident56 Ų5676 Ų7634%0.34440%0.4SS..Hα-helixtrans-64.9-41.8178.1-47.10000111.2I93 R228 K229 A234 M235I93-T231 HydrophobicContact CD1-CG2 4Å; I93-T231 HydrophobicContact CG1-CG2 3.8Å; R228-T231 WeakPolarHBondContact O-CB 3.42Å; R228-T231 PolarHBondContact O-N 3.43Å; K229-T231 PolarHBondContact O-N 3.21Å; T231-A234 PolarHBondContact O-N 3.11Å; T231-M235 WeakPolarHBondContact O-CB 3.32Å; T231-M235 PolarHBondContact O-N 3.47Å
232F78Confident73.5Confident1 Ų182.2 Ų82.20%0.00442%0.421CS..Hα-helixtrans-62.4-46.2176-174-96.8000112F201 F213 L216 I223 I227 R228 K229 A234 M235 L236F201-F232 HydrophobicContact CE2-CZ 4.36Å; F201-F232 HydrophobicContact CZ-CE2 4.26Å; F201-F232 HydrophobicContact CZ-CZ 4Å; F213-F232 HydrophobicContact CB-CD1 4.46Å; F213-F232 HydrophobicContact CD2-CB 3.66Å; F213-F232 AromaticContact CD2-CD1 3.58Å; F213-F232 HydrophobicContact CD2-CD1 3.58Å; F213-F232 HydrophobicContact CD2-CD2 4.22Å; F213-F232 HydrophobicContact CD2-CE1 4.26Å; F213-F232 AromaticContact CD2-CG 3.55Å; F213-F232 HydrophobicContact CD2-CG 3.55Å; F213-F232 HydrophobicContact CE2-CB 3.75Å; F213-F232 HydrophobicContact CE2-CD1 4.35Å; F213-F232 HydrophobicContact CE2-CD2 4.23Å; F213-F232 AromaticContact CE2-CG 3.86Å; F213-F232 HydrophobicContact CE2-CG 3.86Å; F213-F232 HydrophobicContact CG-CD1 4.49Å; L216-F232 HydrophobicContact CD1-CE1 3.55Å; L216-F232 HydrophobicContact CD1-CZ 3.52Å; I223-F232 HydrophobicContact CD1-CE2 4.43Å; I227-F232 HydrophobicContact CG2-CB 3.94Å; I227-F232 HydrophobicContact CG2-CD2 4.36Å; R228-F232 PolarHBondContact O-N 3.32Å; K229-F232 PolarHBondContact O-N 3.24Å; F232-A234 PolarHBondContact O-N 3.21Å; F232-M235 HydrophobicContact CD2-CE 3.53Å; F232-M235 HydrophobicContact CE2-CE 3.38Å; F232-M235 HydrophobicContact CG-CE 4.22Å; F232-M235 HydrophobicContact CZ-CE 3.97Å; F232-M235 WeakPolarHBondContact O-CB 3.4Å; F232-M235 PolarHBondContact O-N 2.94Å; F232-L236 HydrophobicContact CD1-CD1 4.01Å; F232-L236 HydrophobicContact CD1-CG 4.26Å; F232-L236 HydrophobicContact CE1-CD1 3.58Å; F232-L236 HydrophobicContact CE1-CD2 4.28Å; F232-L236 HydrophobicContact CE1-CG 3.95Å; F232-L236 HydrophobicContact CZ-CD1 4.36Å; F232-L236 HydrophobicContact CZ-CD2 4.26Å; F232-L236 HydrophobicContact CZ-CG 4.38Å; F232-L236 WeakPolarHBondContact O-CG 3.39Å; F232-L236 PolarHBondContact O-N 3.35Å
233M77.9Confident74.9Confident38 Ų3874.4 Ų74.419%0.18738%0.379CS..Hα-helixtrans-63.6-40.6177.4-69.6-63.4-167.500112.2L212 F213 K229 Q230 M235 L236 L237 E260L212-M233 HydrophobicContact CB-CE 3.97Å; L212-M233 HydrophobicContact CD2-CE 4.39Å; F213-M233 HydrophobicContact CB-CE 4.45Å; K229-M233 HydrophobicContact CG-CG 4.42Å; K229-M233 VanDerWaalsContact O-CG 3.3Å; K229-M233 WeakPolarHBondContact O-CG 3.34Å; K229-M233 PolarHBondContact O-N 2.78Å; Q230-M233 PolarHBondContact O-N 2.99Å; M233-M235 VanDerWaalsContact C-N 3.32Å; M233-M235 PolarHBondContact O-N 2.84Å; M233-L236 PolarHBondContact O-N 2.85Å; M233-L236 HydrophobicContact SD-CD1 4.18Å; M233-L237 WeakPolarHBondContact O-CG 3.4Å; M233-L237 PolarHBondContact O-N 2.87Å; M233-L237 VanDerWaalsContact O-N 3.12Å; M233-E260 WeakPolarHBondContact CE-OE2 3.29Å
234A73.6Confident76.7Confident57 Ų5773.5 Ų73.547%0.47137%0.374SS..Hα-helixtrans-62.7-38.317400000112.1Q230 T231 F232 L237 K238Q230-A234 WeakPolarHBondContact O-CB 3.5Å; Q230-A234 PolarHBondContact O-N 3.3Å; T231-A234 PolarHBondContact O-N 3.11Å; F232-A234 PolarHBondContact O-N 3.21Å; A234-L237 PolarHBondContact O-N 2.93Å; A234-K238 WeakPolarHBondContact O-CB 3.27Å; A234-K238 PolarHBondContact O-N 2.86Å
235M81.4Confident78.5Confident13 Ų1370.8 Ų70.86%0.06436%0.357CS..Hα-helixtrans-61.3-45.9174.2173.2-78.4-69.900111.6I93 L98 F199 T231 F232 M233 L237 K238 L239I93-M235 HydrophobicContact CD1-CB 4.24Å; I93-M235 HydrophobicContact CD1-CG 4.38Å; L98-M235 HydrophobicContact CD2-CG 3.88Å; F199-M235 HydrophobicContact CD2-SD 4.12Å; F199-M235 HydrophobicContact CE2-CE 4.35Å; F199-M235 HydrophobicContact CE2-SD 3.83Å; T231-M235 WeakPolarHBondContact O-CB 3.32Å; T231-M235 PolarHBondContact O-N 3.47Å; F232-M235 HydrophobicContact CD2-CE 3.53Å; F232-M235 HydrophobicContact CE2-CE 3.38Å; F232-M235 HydrophobicContact CG-CE 4.22Å; F232-M235 HydrophobicContact CZ-CE 3.97Å; F232-M235 WeakPolarHBondContact O-CB 3.4Å; F232-M235 PolarHBondContact O-N 2.94Å; M233-M235 VanDerWaalsContact C-N 3.32Å; M233-M235 PolarHBondContact O-N 2.84Å; M235-L237 VanDerWaalsContact C-N 3.31Å; M235-L237 PolarHBondContact O-N 2.94Å; M235-K238 PolarHBondContact O-N 2.86Å; M235-L239 HydrophobicContact CG-CD1 4.09Å; M235-L239 PolarHBondContact O-N 3.48Å; M235-L239 HydrophobicContact SD-CD1 3.46Å; M235-L239 WeakPolarHBondContact SD-CD1 3.43Å; M235-L239 HydrophobicContact SD-CG 4.24Å
236L80.8Confident80.4Confident2 Ų266.7 Ų66.71%0.0131%0.314CS..Hα-helixtrans-59.3-42.9177.3-68.1-178.4000111.9F201 L212 F232 M233 L239 R240 V243 F245 N273F201-L236 HydrophobicContact CE2-CD2 4.27Å; L212-L236 HydrophobicContact CD2-CD1 3.88Å; F232-L236 HydrophobicContact CD1-CD1 4.01Å; F232-L236 HydrophobicContact CD1-CG 4.26Å; F232-L236 HydrophobicContact CE1-CD1 3.58Å; F232-L236 HydrophobicContact CE1-CD2 4.28Å; F232-L236 HydrophobicContact CE1-CG 3.95Å; F232-L236 HydrophobicContact CZ-CD1 4.36Å; F232-L236 HydrophobicContact CZ-CD2 4.26Å; F232-L236 HydrophobicContact CZ-CG 4.38Å; F232-L236 WeakPolarHBondContact O-CG 3.39Å; F232-L236 PolarHBondContact O-N 3.35Å; M233-L236 PolarHBondContact O-N 2.85Å; M233-L236 HydrophobicContact SD-CD1 4.18Å; L236-L239 PolarHBondContact O-N 3.43Å; L236-R240 PolarHBondContact O-N 3Å; L236-V243 HydrophobicContact CD2-CB 4.4Å; L236-V243 HydrophobicContact CD2-CG1 3.86Å; L236-V243 HydrophobicContact CD2-CG2 4.01Å; L236-F245 HydrophobicContact CD1-CZ 3.89Å; L236-F245 HydrophobicContact CD2-CE2 4.31Å; L236-F245 HydrophobicContact CD2-CZ 3.84Å; L236-N273 PolarHBondContact O-ND2 3.42Å
237L73.8Confident82.3Confident91 Ų9160.6 Ų60.648%0.47628%0.277SS..Hα-helixtrans-68.4-33.8177.7-68.2173.5000112.8M233 A234 M235 R240 R270M233-L237 WeakPolarHBondContact O-CG 3.4Å; M233-L237 PolarHBondContact O-N 2.87Å; M233-L237 VanDerWaalsContact O-N 3.12Å; A234-L237 PolarHBondContact O-N 2.93Å; M235-L237 VanDerWaalsContact C-N 3.31Å; M235-L237 PolarHBondContact O-N 2.94Å; L237-R240 WeakPolarHBondContact O-CG 2.9Å; L237-R270 WeakPolarHBondContact CD2-O 3.41Å
238K78.4Confident83.6Confident128 Ų12860.2 Ų60.256%0.55728%0.275SS*.Hα-helixtrans-68.1-44.3174.8-176.4179.2175.1-1770111.3Q92 A234 M235Q92-K238 VanDerWaalsContact CD-NZ 3.29Å; A234-K238 WeakPolarHBondContact O-CB 3.27Å; A234-K238 PolarHBondContact O-N 2.86Å; M235-K238 PolarHBondContact O-N 2.86Å
239L79.9Confident84.3Confident28 Ų2851.7 Ų51.715%0.14725%0.245CC..Hα-helixtrans-78.9-21-176.6-68.4-178.6000113.9K198 F199 M235 L236 Q241 R242 V243K198-L239 HydrophobicContact CG-CD1 4.29Å; F199-L239 HydrophobicContact CD2-CD1 3.52Å; F199-L239 HydrophobicContact CE2-CD1 3.42Å; F199-L239 VanDerWaalsContact CE2-CD1 3.42Å; M235-L239 HydrophobicContact CG-CD1 4.09Å; M235-L239 PolarHBondContact O-N 3.48Å; M235-L239 HydrophobicContact SD-CD1 3.46Å; M235-L239 WeakPolarHBondContact SD-CD1 3.43Å; M235-L239 HydrophobicContact SD-CG 4.24Å; L236-L239 PolarHBondContact O-N 3.43Å; L239-Q241 PolarHBondContact O-N 3.39Å; L239-R242 HydrophobicContact CB-CB 4.38Å; L239-R242 WeakPolarHBondContact O-CB 3.15Å; L239-R242 PolarHBondContact O-N 2.87Å; L239-V243 HydrophobicContact CB-CG2 3.67Å; L239-V243 HydrophobicContact CD1-CG2 3.97Å; L239-V243 HydrophobicContact CG-CG2 4.49Å
240R82.5Confident84.7Confident141 Ų14149.4 Ų49.453%0.53224%0.235SC..G310 helixtrans47.9-121.2175.5-57.4-176.5177.41791.6111.2L236 L237 R242 V243 K272 N273L236-R240 PolarHBondContact O-N 3Å; L237-R240 WeakPolarHBondContact O-CG 2.9Å; R240-R242 PolarHBondContact O-N 3.23Å; R240-R242 VanDerWaalsContact O-N 3.13Å; R240-V243 PolarHBondContact O-N 3.03Å; R240-K272 CarbonylContact C-O 3.56Å; R240-K272 HydrophobicContact CB-CB 4.26Å; R240-K272 HydrophobicContact CG-CB 4.35Å; R240-N273 WeakPolarHBondContact O-CA 3.29Å; R240-N273 PolarHBondContact O-ND2 3.24Å
241Q85.1Confident85Confident134 Ų13443.3 Ų43.363%0.62621%0.207SC*.G310 helixtrans-70-6.2-176.2-64.6179-7.300114.4F197 L239 V243 K272 M274F197-Q241 WeakPolarHBondContact CD1-O 3.32Å; F197-Q241 VanDerWaalsContact CE1-O 3.3Å; F197-Q241 WeakPolarHBondContact CE1-O 3.4Å; L239-Q241 PolarHBondContact O-N 3.39Å; Q241-V243 PolarHBondContact O-N 3.48Å; Q241-K272 WeakPolarHBondContact CG-O 3.44Å; Q241-K272 PolarHBondContact N-O 3.04Å; Q241-K272 VanDerWaalsContact N-O 3.16Å; Q241-M274 HydrophobicContact CB-CG 4.08Å; Q241-M274 HydrophobicContact CB-SD 4.44Å; Q241-M274 HydrophobicContact CG-CG 4.39Å; Q241-M274 HydrophobicContact CG-SD 4.21Å
242R90.3Very high85.5Confident165 Ų16543.2 Ų43.262%0.62320%0.202SC*.G310 helixtrans-77.2-3.5172.2-61.5-173.7177.2-172.5-0.7113.1F197 K198 F199 L239 R240F197-R242 CarbonylContact C-O 3.5Å; F197-R242 WeakPolarHBondContact CA-O 3.45Å; K198-R242 HydrophobicContact CB-CB 4.22Å; K198-R242 PolarHBondContact N-O 2.95Å; F199-R242 PolarHBondContact N-O 3.43Å; L239-R242 HydrophobicContact CB-CB 4.38Å; L239-R242 WeakPolarHBondContact O-CB 3.15Å; L239-R242 PolarHBondContact O-N 2.87Å; R240-R242 PolarHBondContact O-N 3.23Å; R240-R242 VanDerWaalsContact O-N 3.13Å
243V93.8Very high85.7Confident0 Ų044 Ų440%021%0.206CC..EExtended strand (participates in β ladder)trans-110.3131.3172.9-179.70000109.2F199 F201 L236 L239 R240 Q241 F245 N273 M274F199-V243 HydrophobicContact CB-CG1 4.27Å; F199-V243 HydrophobicContact CB-CG2 4.35Å; F199-V243 HydrophobicContact CD2-CG2 4.15Å; F201-V243 HydrophobicContact CD2-CG1 3.85Å; F201-V243 HydrophobicContact CE2-CG1 3.81Å; L236-V243 HydrophobicContact CD2-CB 4.4Å; L236-V243 HydrophobicContact CD2-CG1 3.86Å; L236-V243 HydrophobicContact CD2-CG2 4.01Å; L239-V243 HydrophobicContact CB-CG2 3.67Å; L239-V243 HydrophobicContact CD1-CG2 3.97Å; L239-V243 HydrophobicContact CG-CG2 4.49Å; R240-V243 PolarHBondContact O-N 3.03Å; Q241-V243 PolarHBondContact O-N 3.48Å; V243-F245 HydrophobicContact CG1-CD2 4.15Å; V243-F245 HydrophobicContact CG1-CE2 3.62Å; V243-F245 HydrophobicContact CG1-CZ 3.92Å; V243-N273 HydrophobicContact CB-CB 4.49Å; V243-M274 PolarHBondContact O-N 3.15Å
244L96.8Very high85.9Confident0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-115.4126.1175.6179.264.2000110.8L161 L194 F197 F199 V200 F201 L246 M274 I276L161-L244 HydrophobicContact CD2-CD1 4.21Å; L194-L244 HydrophobicContact CD2-CD2 4.35Å; F197-L244 HydrophobicContact CD1-CB 3.73Å; F197-L244 HydrophobicContact CD2-CB 4.32Å; F197-L244 HydrophobicContact CD2-CD2 3.99Å; F197-L244 HydrophobicContact CE1-CB 3.92Å; F197-L244 HydrophobicContact CE1-CD1 4.48Å; F197-L244 HydrophobicContact CE2-CB 4.49Å; F197-L244 HydrophobicContact CE2-CD2 3.86Å; F197-L244 HydrophobicContact CG-CB 3.95Å; F197-L244 HydrophobicContact CG-CD2 4.45Å; F197-L244 HydrophobicContact CZ-CB 4.29Å; F197-L244 HydrophobicContact CZ-CD1 4.32Å; F197-L244 HydrophobicContact CZ-CD2 4.19Å; F199-L244 PolarHBondContact O-N 3.49Å; V200-L244 CarbonylContact C-O 3.56Å; V200-L244 VanDerWaalsContact CA-O 3.31Å; V200-L244 WeakPolarHBondContact CA-O 3.34Å; V200-L244 HydrophobicContact CG1-CD2 4.3Å; V200-L244 HydrophobicContact CG2-CB 4.12Å; V200-L244 HydrophobicContact CG2-CD2 4.19Å; F201-L244 PolarHBondContact N-O 3.34Å; L244-L246 HydrophobicContact CD1-CD2 4.42Å; L244-L246 HydrophobicContact CD2-CD2 3.86Å; L244-L246 HydrophobicContact CG-CD2 3.93Å; L244-M274 CarbonylContact C-O 3.58Å; L244-M274 WeakPolarHBondContact CA-O 3.16Å; L244-M274 HydrophobicContact CD1-CB 3.69Å; L244-I276 HydrophobicContact CD1-CD1 4.28Å; L244-I276 HydrophobicContact CD1-CG1 4.09Å
245F97.1Very high86.1Confident0 Ų044.4 Ų44.40%020%0.2CC..EExtended strand (participates in β ladder)trans-101.7126.7170.3-68.6-82.1000110.4F201 I203 L212 L216 L236 V243 L247 L264 N273 M274 V275 I276F201-F245 HydrophobicContact CB-CD1 3.77Å; F201-F245 HydrophobicContact CB-CE1 3.95Å; F201-F245 HydrophobicContact CD2-CD1 4.05Å; F201-F245 AromaticContact CD2-CE1 3.52Å; F201-F245 HydrophobicContact CD2-CE1 3.52Å; F201-F245 AromaticContact CD2-CZ 3.93Å; F201-F245 HydrophobicContact CD2-CZ 3.93Å; F201-F245 HydrophobicContact CE2-CE1 4.35Å; F201-F245 HydrophobicContact CE2-CZ 4.42Å; F201-F245 HydrophobicContact CG-CD1 4.31Å; F201-F245 HydrophobicContact CG-CE1 4.01Å; I203-F245 HydrophobicContact CD1-CD1 4.07Å; I203-F245 HydrophobicContact CD1-CE1 4.49Å; L212-F245 HydrophobicContact CD1-CD1 4.44Å; L212-F245 HydrophobicContact CD1-CE1 3.99Å; L212-F245 HydrophobicContact CD2-CE1 4.37Å; L212-F245 HydrophobicContact CD2-CZ 4.11Å; L216-F245 HydrophobicContact CD1-CE1 4.21Å; L236-F245 HydrophobicContact CD1-CZ 3.89Å; L236-F245 HydrophobicContact CD2-CE2 4.31Å; L236-F245 HydrophobicContact CD2-CZ 3.84Å; V243-F245 HydrophobicContact CG1-CD2 4.15Å; V243-F245 HydrophobicContact CG1-CE2 3.62Å; V243-F245 HydrophobicContact CG1-CZ 3.92Å; F245-L247 HydrophobicContact CB-CD2 4.11Å; F245-L247 HydrophobicContact CB-CG 4.27Å; F245-L264 HydrophobicContact CB-CD2 4.21Å; F245-L264 HydrophobicContact CD1-CD2 4.22Å; F245-L264 HydrophobicContact CD2-CD1 4.27Å; F245-L264 HydrophobicContact CD2-CD2 3.76Å; F245-L264 HydrophobicContact CE2-CD1 4.4Å; F245-L264 HydrophobicContact CE2-CD2 4.15Å; F245-L264 HydrophobicContact CG-CD2 3.79Å; F245-N273 HydrophobicContact CD2-CB 4.06Å; F245-N273 HydrophobicContact CE2-CB 3.91Å; F245-M274 PolarHBondContact N-O 2.87Å; F245-V275 HydrophobicContact CB-CG2 4.4Å; F245-V275 WeakPolarHBondContact O-CA 3.48Å; F245-I276 PolarHBondContact O-N 3.45Å
246L97.8Very high86Confident0 Ų051.1 Ų51.10%023%0.231CC..EExtended strand (participates in β ladder)trans-105100172.4-52.5178000107.6L179 I182 A183 V200 F201 F202 I203 L244 I276L179-L246 HydrophobicContact CB-CB 4.4Å; L179-L246 HydrophobicContact CD1-CB 4.27Å; L179-L246 HydrophobicContact CD2-CB 4.41Å; L179-L246 HydrophobicContact CD2-CD2 4.27Å; L179-L246 WeakPolarHBondContact O-CD1 3.37Å; I182-L246 HydrophobicContact CB-CD1 4.17Å; I182-L246 HydrophobicContact CG2-CD1 3.99Å; I182-L246 HydrophobicContact CG2-CD2 4.08Å; A183-L246 HydrophobicContact CB-CD1 3.91Å; V200-L246 HydrophobicContact CG1-CD1 3.57Å; V200-L246 HydrophobicContact CG1-CG 3.86Å; F201-L246 PolarHBondContact O-N 2.72Å; F202-L246 HydrophobicContact CD2-CB 4.15Å; I203-L246 PolarHBondContact N-O 2.99Å; L244-L246 HydrophobicContact CD1-CD2 4.42Å; L244-L246 HydrophobicContact CD2-CD2 3.86Å; L244-L246 HydrophobicContact CG-CD2 3.93Å; L246-I276 HydrophobicContact CD2-CB 3.99Å; L246-I276 HydrophobicContact CD2-CD1 3.79Å; L246-I276 HydrophobicContact CD2-CG1 4.19Å
247L96.7Very high86.1Confident0 Ų053.7 Ų53.70%025%0.245CC..EExtended strand (participates in β ladder)trans-100.4108.5-174.1-55.9-177.1000110I203 L205 F245 I261 L264 I265 V275 I276 V277 T278I203-L247 HydrophobicContact CB-CD2 3.92Å; I203-L247 HydrophobicContact CD1-CD2 3.87Å; I203-L247 HydrophobicContact CG1-CD2 4.25Å; L205-L247 HydrophobicContact CD1-CB 4.03Å; L205-L247 HydrophobicContact CD2-CB 4.12Å; L205-L247 HydrophobicContact CD2-CD2 4.33Å; L205-L247 HydrophobicContact CG-CB 4.12Å; F245-L247 HydrophobicContact CB-CD2 4.11Å; F245-L247 HydrophobicContact CB-CG 4.27Å; L247-I261 HydrophobicContact CD1-CG2 4.21Å; L247-L264 HydrophobicContact CD1-CD2 4.43Å; L247-I265 HydrophobicContact CD1-CD1 3.78Å; L247-I265 HydrophobicContact CD1-CG1 3.59Å; L247-V275 HydrophobicContact CD1-CG1 3.61Å; L247-V275 HydrophobicContact CG-CG1 4.08Å; L247-I276 PolarHBondContact N-O 3.09Å; L247-V277 HydrophobicContact CB-CB 4.27Å; L247-V277 HydrophobicContact CB-CG2 4.18Å; L247-V277 WeakPolarHBondContact O-CA 3.42Å; L247-T278 PolarHBondContact O-N 3.37Å
248D94.3Very high86.7Confident15 Ų1549.3 Ų49.38%0.0822%0.222CC..EExtended strand (participates in β ladder)trans-96.1119.6-173.5-168.832.8000112.7S176 L179 F202 I203 L205 T278S176-D248 WeakPolarHBondContact CA-OD1 3.35Å; S176-D248 WeakPolarHBondContact CB-OD1 3.5Å; S176-D248 WeakPolarHBondContact CB-OD2 3.46Å; S176-D248 VanDerWaalsContact OG-CG 3.24Å; S176-D248 PolarHBondContact OG-OD1 3.45Å; S176-D248 PolarHBondContact OG-OD2 3.5Å; L179-D248 HydrophobicContact CD1-CB 3.88Å; F202-D248 HydrophobicContact CE2-CB 3.95Å; F202-D248 HydrophobicContact CZ-CB 4.12Å; I203-D248 PolarHBondContact O-N 3.24Å; L205-D248 WeakPolarHBondContact CB-O 3.38Å; L205-D248 PolarHBondContact N-O 2.89Å; D248-T278 VanDerWaalsContact CA-OG1 3.32Å; D248-T278 WeakPolarHBondContact CA-OG1 3.46Å; D248-T278 PolarHBondContact OD1-OG1 3.48Å
249G86.9Confident86.9Confident6 Ų647.1 Ų47.16%0.06222%0.221CC..  trans87.860.5166.700000115.5N251 E252 F253 T278G249-N251 PolarHBondContact O-N 2.71Å; G249-E252 PolarHBondContact O-N 2.9Å; G249-F253 PolarHBondContact O-N 3.41Å; G249-T278 PolarHBondContact N-OG1 2.73Å
250Y86.5Confident87.1Confident16 Ų1648.4 Ų48.46%0.06323%0.226CC..G310 helixtrans-59.3-31.6176.6-168.9-92.5000112.7L205 E252 F253 E262 I265 V277 T278 H286 I287L205-Y250 HydrophobicContact CD1-CD2 4.18Å; Y250-E252 PolarHBondContact O-N 3.25Å; Y250-E252 VanDerWaalsContact O-N 3.13Å; Y250-F253 HydrophobicContact CD2-CB 4.5Å; Y250-F253 HydrophobicContact CD2-CD1 4.04Å; Y250-F253 AromaticContact CE2-CD1 3.77Å; Y250-F253 HydrophobicContact CE2-CD1 3.77Å; Y250-F253 HydrophobicContact CE2-CE1 4.42Å; Y250-F253 VanDerWaalsContact O-CB 3.28Å; Y250-F253 WeakPolarHBondContact O-CB 3.42Å; Y250-F253 PolarHBondContact O-N 3.32Å; Y250-E262 VanDerWaalsContact CE2-OE2 3.27Å; Y250-E262 WeakPolarHBondContact CE2-OE2 3.49Å; Y250-E262 PolarHBondContact OH-OE1 2.92Å; Y250-E262 PolarHBondContact OH-OE2 3.5Å; Y250-I265 HydrophobicContact CD2-CD1 3.79Å; Y250-I265 HydrophobicContact CE2-CD1 3.83Å; Y250-V277 HydrophobicContact CD2-CG2 4.28Å; Y250-V277 HydrophobicContact CG-CG2 4.49Å; Y250-T278 WeakPolarHBondContact CB-O 3.34Å; Y250-T278 PolarHBondContact N-O 2.97Å; Y250-H286 HydrophobicContact CE1-CB 3.75Å; Y250-I287 HydrophobicContact CD1-CD1 4.29Å; Y250-I287 HydrophobicContact CD1-CG1 4.37Å; Y250-I287 HydrophobicContact CD1-CG2 3.87Å; Y250-I287 HydrophobicContact CD2-CG2 4Å; Y250-I287 HydrophobicContact CE1-CG2 3.43Å; Y250-I287 VanDerWaalsContact CE1-CG2 3.43Å; Y250-I287 HydrophobicContact CE2-CG2 3.57Å; Y250-I287 HydrophobicContact CG-CD1 4.1Å; Y250-I287 HydrophobicContact CG-CG2 4.14Å
251N79.4Confident87.5Confident19 Ų1941.7 Ų41.710%0.10220%0.201CC..G310 helixtrans-66.1-6.8174.560.1-86.1000114.8G249 T280 C283 K444G249-N251 PolarHBondContact O-N 2.71Å; N251-T280 HydrophobicContact CB-CG2 4.24Å; N251-C283 HydrophobicContact CB-CB 3.85Å; N251-K444 PolarHBondContact ND2-NZ 3.4Å; N251-K444 PolarHBondContact O-NZ 3.26Å
252E83.7Confident87.6Confident53 Ų5336.5 Ų36.525%0.24818%0.177CC..G310 helixtrans-113.1-0.1173.4-70.1161.3-144.500111.8S206 G249 Y250 F406 K444S206-E252 WeakPolarHBondContact CB-OE2 3.2Å; G249-E252 PolarHBondContact O-N 2.9Å; Y250-E252 PolarHBondContact O-N 3.25Å; Y250-E252 VanDerWaalsContact O-N 3.13Å; E252-F406 HydrophobicContact CB-CD2 4.16Å; E252-F406 HydrophobicContact CB-CE2 4.23Å; E252-F406 HydrophobicContact CG-CD2 4Å; E252-F406 HydrophobicContact CG-CE2 4.04Å; E252-K444 HydrophobicContact CG-CD 3.9Å
253F84.2Confident87Confident18 Ų1829.3 Ų29.38%0.07915%0.153CC..  trans-86.1139.4-174.7-174.1-133.3000111.7L205 A208 G249 Y250 P255 C258 I261 E262L205-F253 HydrophobicContact CB-CB 3.85Å; L205-F253 HydrophobicContact CB-CD2 3.99Å; L205-F253 HydrophobicContact CB-CG 4.06Å; L205-F253 HydrophobicContact CD1-CB 4.24Å; L205-F253 HydrophobicContact CD1-CG 4.38Å; L205-F253 HydrophobicContact CD2-CD2 4.29Å; L205-F253 HydrophobicContact CD2-CG 4.46Å; L205-F253 WeakPolarHBondContact O-CD2 3.44Å; A208-F253 HydrophobicContact CB-CD2 4.22Å; A208-F253 HydrophobicContact CB-CE2 3.79Å; G249-F253 PolarHBondContact O-N 3.41Å; Y250-F253 HydrophobicContact CD2-CB 4.5Å; Y250-F253 HydrophobicContact CD2-CD1 4.04Å; Y250-F253 AromaticContact CE2-CD1 3.77Å; Y250-F253 HydrophobicContact CE2-CD1 3.77Å; Y250-F253 HydrophobicContact CE2-CE1 4.42Å; Y250-F253 VanDerWaalsContact O-CB 3.28Å; Y250-F253 WeakPolarHBondContact O-CB 3.42Å; Y250-F253 PolarHBondContact O-N 3.32Å; F253-P255 HydrophobicContact CD1-CG 4.3Å; F253-P255 HydrophobicContact CE1-CB 4.37Å; F253-P255 HydrophobicContact CE1-CG 4.26Å; F253-C258 HydrophobicContact CE2-CB 4.15Å; F253-C258 HydrophobicContact CZ-CB 4.24Å; F253-C258 WeakPolarHBondContact CZ-O 3.4Å; F253-I261 HydrophobicContact CE1-CG2 4.34Å; F253-I261 HydrophobicContact CZ-CB 4.16Å; F253-I261 HydrophobicContact CZ-CG2 4.02Å; F253-E262 HydrophobicContact CE1-CB 4.1Å
254K80.3Confident86.5Confident64 Ų6429.3 Ų29.328%0.27815%0.153SC..  trans-109.9108.5167.5-70.9-177.8174.1172.30108.9Q256 N257 S403 H404K254-Q256 PolarHBondContact O-N 2.98Å; K254-Q256 VanDerWaalsContact O-N 3.08Å; K254-N257 HydrophobicContact CB-CB 4.34Å; K254-N257 WeakPolarHBondContact O-CB 3.39Å; K254-N257 PolarHBondContact O-N 3.08Å; K254-S403 PolarHBondContact NZ-O 2.94Å; K254-H404 WeakPolarHBondContact CE-O 3.32Å; K254-H404 PolarHBondContact NZ-O 3.45Å
255P79.4Confident85.9Confident39 Ų3929.4 Ų29.425%0.25315%0.153SC..G310 helixtrans-54.2-31.1-179.3-30.237.3000114.2F253 N257 C258 E262F253-P255 HydrophobicContact CD1-CG 4.3Å; F253-P255 HydrophobicContact CE1-CB 4.37Å; F253-P255 HydrophobicContact CE1-CG 4.26Å; P255-N257 VanDerWaalsContact C-N 3.26Å; P255-N257 PolarHBondContact O-N 2.72Å; P255-C258 CarbonylContact O-C 3.52Å; P255-C258 VanDerWaalsContact O-C 3.28Å; P255-C258 PolarHBondContact O-N 3.44Å; P255-E262 HydrophobicContact CB-CB 4.2Å; P255-E262 HydrophobicContact CB-CG 3.97Å; P255-E262 HydrophobicContact CG-CG 4.49Å
256Q78.9Confident85.1Confident155 Ų15532.4 Ų32.472%0.72417%0.166SC*.G310 helixtrans-66.2-27.6178.4-57.881.85.100113K254 C258K254-Q256 PolarHBondContact O-N 2.98Å; K254-Q256 VanDerWaalsContact O-N 3.08Å; Q256-C258 VanDerWaalsContact C-N 3.35Å
257N82.9Confident84Confident55 Ų5535.6 Ų35.629%0.29418%0.181SC..G310 helixtrans-74.5-29-179.6-67.6-5.1000111.9A208 Q209 G210 K254 P255A208-N257 WeakPolarHBondContact O-CB 3.48Å; Q209-N257 CarbonylContact C-O 3.56Å; Q209-N257 WeakPolarHBondContact CA-O 3.43Å; Q209-N257 PolarHBondContact NE2-ND2 2.8Å; G210-N257 PolarHBondContact N-O 2.73Å; K254-N257 HydrophobicContact CB-CB 4.34Å; K254-N257 WeakPolarHBondContact O-CB 3.39Å; K254-N257 PolarHBondContact O-N 3.08Å; P255-N257 VanDerWaalsContact C-N 3.26Å; P255-N257 PolarHBondContact O-N 2.72Å
258C86.1Confident82.6Confident0 Ų036.5 Ų36.50%019%0.186CC..  trans-149.483.1177-167.30000112.2A208 G210 F253 P255 Q256 E260 I261 E262A208-C258 HydrophobicContact CB-CB 4.07Å; G210-C258 WeakPolarHBondContact O-CA 3.43Å; G210-C258 PolarHBondContact O-SG 2.65Å; F253-C258 HydrophobicContact CE2-CB 4.15Å; F253-C258 HydrophobicContact CZ-CB 4.24Å; F253-C258 WeakPolarHBondContact CZ-O 3.4Å; P255-C258 CarbonylContact O-C 3.52Å; P255-C258 VanDerWaalsContact O-C 3.28Å; P255-C258 PolarHBondContact O-N 3.44Å; Q256-C258 VanDerWaalsContact C-N 3.35Å; C258-E260 PolarHBondContact O-N 2.81Å; C258-I261 HydrophobicContact CB-CB 4.41Å; C258-I261 HydrophobicContact CB-CD1 4.36Å; C258-I261 PolarHBondContact O-N 3.25Å; C258-E262 PolarHBondContact O-N 3.21Å
259P83.5Confident81.4Confident81 Ų8141 Ų4153%0.52621%0.206SC..Hα-helixtrans-60.8-29.2-179-24.834.9000113.8E262 A263P259-E262 PolarHBondContact O-N 3.12Å; P259-A263 WeakPolarHBondContact O-CB 3.05Å; P259-A263 PolarHBondContact O-N 3.38Å
260E83.8Confident80.3Confident56 Ų5648 Ų4826%0.26223%0.23SC..Hα-helixtrans-65-39.8179.1-66.8178.7-16600112.3G211 L212 K229 M233 C258 A263 L264G211-E260 WeakPolarHBondContact CA-OE2 3.42Å; L212-E260 HydrophobicContact CB-CB 4.21Å; L212-E260 PolarHBondContact N-OE2 3.15Å; K229-E260 IonicContact NZ-OE1 3.83Å; K229-E260 PolarHBondContact NZ-OE1 2.91Å; K229-E260 IonicContact NZ-OE2 2.68Å; M233-E260 WeakPolarHBondContact CE-OE2 3.29Å; C258-E260 PolarHBondContact O-N 2.81Å; E260-A263 PolarHBondContact O-N 3.44Å; E260-L264 PolarHBondContact O-N 3.4Å
261I89.8Confident79.4Confident0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-70.7-37.6176.7-73.4174.9000110.9I203 L205 A208 L212 T215 L247 F253 C258 A263 L264 I265I203-I261 HydrophobicContact CG2-CD1 4.42Å; L205-I261 HydrophobicContact CD2-CG2 3.49Å; L205-I261 VanDerWaalsContact CD2-CG2 3.49Å; A208-I261 HydrophobicContact CB-CD1 3.88Å; L212-I261 HydrophobicContact CB-CG1 4.3Å; L212-I261 HydrophobicContact CD1-CD1 4.27Å; L212-I261 HydrophobicContact CD1-CG1 3.83Å; T215-I261 HydrophobicContact CG2-CD1 3.94Å; L247-I261 HydrophobicContact CD1-CG2 4.21Å; F253-I261 HydrophobicContact CE1-CG2 4.34Å; F253-I261 HydrophobicContact CZ-CB 4.16Å; F253-I261 HydrophobicContact CZ-CG2 4.02Å; C258-I261 HydrophobicContact CB-CB 4.41Å; C258-I261 HydrophobicContact CB-CD1 4.36Å; C258-I261 PolarHBondContact O-N 3.25Å; I261-A263 VanDerWaalsContact C-N 3.31Å; I261-A263 PolarHBondContact O-N 3.21Å; I261-L264 WeakPolarHBondContact O-CB 3.33Å; I261-L264 PolarHBondContact O-N 3.15Å; I261-I265 HydrophobicContact CG2-CD1 4.44Å; I261-I265 WeakPolarHBondContact O-CG1 3.19Å; I261-I265 PolarHBondContact O-N 3.37Å
262E88.2Confident79.2Confident25 Ų2552.7 Ų52.712%0.11725%0.25CS..Hα-helixtrans-60.7-43.5173-178.374.716500110.9Y250 F253 P255 C258 P259 I265 K266Y250-E262 VanDerWaalsContact CE2-OE2 3.27Å; Y250-E262 WeakPolarHBondContact CE2-OE2 3.49Å; Y250-E262 PolarHBondContact OH-OE1 2.92Å; Y250-E262 PolarHBondContact OH-OE2 3.5Å; F253-E262 HydrophobicContact CE1-CB 4.1Å; P255-E262 HydrophobicContact CB-CB 4.2Å; P255-E262 HydrophobicContact CB-CG 3.97Å; P255-E262 HydrophobicContact CG-CG 4.49Å; C258-E262 PolarHBondContact O-N 3.21Å; P259-E262 PolarHBondContact O-N 3.12Å; E262-I265 PolarHBondContact O-N 2.86Å; E262-K266 HydrophobicContact CG-CD 4.17Å; E262-K266 PolarHBondContact O-N 3.19Å; E262-K266 VanDerWaalsContact OE1-CD 3.3Å; E262-K266 WeakPolarHBondContact OE1-CD 3.29Å; E262-K266 WeakPolarHBondContact OE1-CE 3.47Å; E262-K266 IonicContact OE1-NZ 2.78Å; E262-K266 PolarHBondContact OE1-NZ 3.14Å
263A77.3Confident79.2Confident14 Ų1450.1 Ų50.112%0.11624%0.239CC..Hα-helixtrans-66-35175.200000112.3P259 E260 I261 I265 E267 F271P259-A263 WeakPolarHBondContact O-CB 3.05Å; P259-A263 PolarHBondContact O-N 3.38Å; E260-A263 PolarHBondContact O-N 3.44Å; I261-A263 VanDerWaalsContact C-N 3.31Å; I261-A263 PolarHBondContact O-N 3.21Å; A263-I265 PolarHBondContact O-N 3.4Å; A263-E267 HydrophobicContact CB-CB 4.43Å; A263-E267 CarbonylContact O-C 3.55Å; A263-E267 VanDerWaalsContact O-C 3.22Å; A263-E267 WeakPolarHBondContact O-CA 3.15Å; A263-E267 WeakPolarHBondContact O-CB 2.98Å; A263-E267 PolarHBondContact O-N 3Å; A263-F271 HydrophobicContact CB-CE2 3.88Å; A263-F271 HydrophobicContact CB-CZ 4.27Å
264L82.8Confident79.6Confident0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-59.6-34.4174.5179.363.7000112.1L212 F245 L247 E260 I261 N268 F271 V275L212-L264 HydrophobicContact CD1-CD2 4.31Å; L212-L264 HydrophobicContact CD2-CD2 4.36Å; F245-L264 HydrophobicContact CB-CD2 4.21Å; F245-L264 HydrophobicContact CD1-CD2 4.22Å; F245-L264 HydrophobicContact CD2-CD1 4.27Å; F245-L264 HydrophobicContact CD2-CD2 3.76Å; F245-L264 HydrophobicContact CE2-CD1 4.4Å; F245-L264 HydrophobicContact CE2-CD2 4.15Å; F245-L264 HydrophobicContact CG-CD2 3.79Å; L247-L264 HydrophobicContact CD1-CD2 4.43Å; E260-L264 PolarHBondContact O-N 3.4Å; I261-L264 WeakPolarHBondContact O-CB 3.33Å; I261-L264 PolarHBondContact O-N 3.15Å; L264-N268 WeakPolarHBondContact O-CB 3.41Å; L264-N268 PolarHBondContact O-ND2 3.44Å; L264-N268 VanDerWaalsContact O-ND2 3.1Å; L264-F271 HydrophobicContact CB-CD2 4.46Å; L264-F271 HydrophobicContact CB-CE2 4.45Å; L264-F271 HydrophobicContact CD1-CB 3.71Å; L264-F271 HydrophobicContact CD1-CD1 3.99Å; L264-F271 HydrophobicContact CD1-CD2 4.17Å; L264-F271 HydrophobicContact CD1-CG 3.69Å; L264-V275 HydrophobicContact CD1-CG2 3.95Å; L264-V275 HydrophobicContact CD2-CG2 4.36Å; L264-V275 HydrophobicContact CG-CG2 3.84Å
265I84.5Confident80.3Confident1 Ų147.1 Ų47.11%0.00523%0.226CC..Hα-helixtrans-80.9-53.5176.7-59.8165.1000110.9P164 L247 Y250 I261 E262 A263 V277 I287P164-I265 VanDerWaalsContact CG-O 3.25Å; P164-I265 WeakPolarHBondContact CG-O 3.34Å; L247-I265 HydrophobicContact CD1-CD1 3.78Å; L247-I265 HydrophobicContact CD1-CG1 3.59Å; Y250-I265 HydrophobicContact CD2-CD1 3.79Å; Y250-I265 HydrophobicContact CE2-CD1 3.83Å; I261-I265 HydrophobicContact CG2-CD1 4.44Å; I261-I265 WeakPolarHBondContact O-CG1 3.19Å; I261-I265 PolarHBondContact O-N 3.37Å; E262-I265 PolarHBondContact O-N 2.86Å; A263-I265 PolarHBondContact O-N 3.4Å; I265-V277 HydrophobicContact CD1-CG2 4.19Å; I265-I287 HydrophobicContact CG2-CG2 4.19Å
266K81.2Confident81.2Confident64 Ų6445.3 Ų45.328%0.27821%0.214SC..Hα-helixtrans-86.8-28.2-169.2-64.1-170.5170171.70114.1E262 F290E262-K266 HydrophobicContact CG-CD 4.17Å; E262-K266 PolarHBondContact O-N 3.19Å; E262-K266 VanDerWaalsContact OE1-CD 3.3Å; E262-K266 WeakPolarHBondContact OE1-CD 3.29Å; E262-K266 WeakPolarHBondContact OE1-CE 3.47Å; E262-K266 IonicContact OE1-NZ 2.78Å; E262-K266 PolarHBondContact OE1-NZ 3.14Å; K266-F290 HydrophobicContact CB-CD1 3.99Å; K266-F290 HydrophobicContact CB-CD2 4.35Å; K266-F290 HydrophobicContact CB-CE1 3.83Å; K266-F290 HydrophobicContact CB-CE2 4.23Å; K266-F290 HydrophobicContact CB-CG 4.23Å; K266-F290 HydrophobicContact CB-CZ 3.93Å; K266-F290 HydrophobicContact CD-CD2 4.2Å; K266-F290 HydrophobicContact CD-CE1 4.44Å; K266-F290 HydrophobicContact CD-CE2 3.55Å; K266-F290 HydrophobicContact CD-CZ 3.67Å; K266-F290 VanDerWaalsContact CE-CE2 3.5Å; K266-F290 HydrophobicContact CG-CD1 4.27Å; K266-F290 HydrophobicContact CG-CD2 3.72Å; K266-F290 HydrophobicContact CG-CE1 4.13Å; K266-F290 HydrophobicContact CG-CE2 3.59Å; K266-F290 HydrophobicContact CG-CG 4.06Å; K266-F290 HydrophobicContact CG-CZ 3.77Å; K266-F290 WeakPolarHBondContact O-CD1 3.21Å
267E73.9Confident82Confident66 Ų6637.9 Ų37.931%0.30818%0.179SC..THydrogen-bonded Turntrans-11836.4-176.8-57.4179.4-165.700111.4A263 H269 R270A263-E267 HydrophobicContact CB-CB 4.43Å; A263-E267 CarbonylContact O-C 3.55Å; A263-E267 VanDerWaalsContact O-C 3.22Å; A263-E267 WeakPolarHBondContact O-CA 3.15Å; A263-E267 WeakPolarHBondContact O-CB 2.98Å; A263-E267 PolarHBondContact O-N 3Å; E267-H269 PolarHBondContact O-N 3.44Å; E267-R270 HydrophobicContact CB-CG 4.33Å; E267-R270 WeakPolarHBondContact O-CB 3.22Å; E267-R270 PolarHBondContact O-N 3.04Å; E267-R270 WeakPolarHBondContact OE2-CD 3.35Å; E267-R270 IonicContact OE2-CZ 3.27Å; E267-R270 IonicContact OE2-NE 2.66Å; E267-R270 IonicContact OE2-NH1 3.76Å; E267-R270 PolarHBondContact OE2-NH1 2.89Å
268N68Low82.6Confident20 Ų2035.3 Ų35.311%0.10717%0.166CC..Hα-helixtrans-55.9-22-173.9-168.8-106.1000114.1S163 P164 L264 R270 F271 K272 N273 V275S163-N268 PolarHBondContact OG-OD1 3.19Å; P164-N268 HydrophobicContact CG-CB 4.08Å; L264-N268 WeakPolarHBondContact O-CB 3.41Å; L264-N268 PolarHBondContact O-ND2 3.44Å; L264-N268 VanDerWaalsContact O-ND2 3.1Å; N268-R270 PolarHBondContact O-N 3.27Å; N268-F271 PolarHBondContact O-N 2.69Å; N268-F271 VanDerWaalsContact O-N 3.11Å; N268-K272 PolarHBondContact O-N 2.89Å; N268-N273 PolarHBondContact ND2-O 3.26Å; N268-N273 PolarHBondContact OD1-O 2.88Å; N268-V275 WeakPolarHBondContact ND2-CG2 3.49Å
269H67.4Low82.6Confident108 Ų10835.3 Ų35.350%0.517%0.166SC..Hα-helixtrans-56.6-27.317261.6-84.5000113.8E267 K272E267-H269 PolarHBondContact O-N 3.44Å; H269-K272 WeakPolarHBondContact O-CG 3.05Å
270R65.3Low82.4Confident153 Ų15331.9 Ų31.958%0.57714%0.143SC*.Hα-helixtrans-76.1-36.8176.5-61.6176.865.8-176.8-0.1112.6L237 E267 N268L237-R270 WeakPolarHBondContact CD2-O 3.41Å; E267-R270 HydrophobicContact CB-CG 4.33Å; E267-R270 WeakPolarHBondContact O-CB 3.22Å; E267-R270 PolarHBondContact O-N 3.04Å; E267-R270 WeakPolarHBondContact OE2-CD 3.35Å; E267-R270 IonicContact OE2-CZ 3.27Å; E267-R270 IonicContact OE2-NE 2.66Å; E267-R270 IonicContact OE2-NH1 3.76Å; E267-R270 PolarHBondContact OE2-NH1 2.89Å; N268-R270 PolarHBondContact O-N 3.27Å
271F67.9Low82.1Confident30 Ų3032 Ų3213%0.13215%0.148CC..Hα-helixtrans-92.8-35.6-174.4-65.6-90.1000112.6A263 L264 N268 N273A263-F271 HydrophobicContact CB-CE2 3.88Å; A263-F271 HydrophobicContact CB-CZ 4.27Å; L264-F271 HydrophobicContact CB-CD2 4.46Å; L264-F271 HydrophobicContact CB-CE2 4.45Å; L264-F271 HydrophobicContact CD1-CB 3.71Å; L264-F271 HydrophobicContact CD1-CD1 3.99Å; L264-F271 HydrophobicContact CD1-CD2 4.17Å; L264-F271 HydrophobicContact CD1-CG 3.69Å; N268-F271 PolarHBondContact O-N 2.69Å; N268-F271 VanDerWaalsContact O-N 3.11Å; F271-N273 PolarHBondContact O-N 3.4Å; F271-N273 PolarHBondContact O-OD1 2.88Å
272K73.8Confident81.2Confident104 Ų10434.3 Ų34.345%0.45216%0.158SC..  trans56.415.9-176.8-55-178.5179.9177.60114.2R240 Q241 N268 H269R240-K272 CarbonylContact C-O 3.56Å; R240-K272 HydrophobicContact CB-CB 4.26Å; R240-K272 HydrophobicContact CG-CB 4.35Å; Q241-K272 WeakPolarHBondContact CG-O 3.44Å; Q241-K272 PolarHBondContact N-O 3.04Å; Q241-K272 VanDerWaalsContact N-O 3.16Å; N268-K272 PolarHBondContact O-N 2.89Å; H269-K272 WeakPolarHBondContact O-CG 3.05Å
273N84.9Confident80.6Confident0 Ų033.5 Ų33.50%016%0.156CC..  trans-86.2154.1173.8-53.5119.5000110.9S163 L236 R240 V243 F245 N268 F271S163-N273 PolarHBondContact OG-O 3.16Å; L236-N273 PolarHBondContact O-ND2 3.42Å; R240-N273 WeakPolarHBondContact O-CA 3.29Å; R240-N273 PolarHBondContact O-ND2 3.24Å; V243-N273 HydrophobicContact CB-CB 4.49Å; F245-N273 HydrophobicContact CD2-CB 4.06Å; F245-N273 HydrophobicContact CE2-CB 3.91Å; N268-N273 PolarHBondContact ND2-O 3.26Å; N268-N273 PolarHBondContact OD1-O 2.88Å; F271-N273 PolarHBondContact O-N 3.4Å; F271-N273 PolarHBondContact O-OD1 2.88Å
274M91.3Very high80.7Confident18 Ų1832.9 Ų32.99%0.08915%0.151CC..EExtended strand (participates in β ladder)trans-79136.4175.8-65.6-63.1-7300110L161 S163 F197 Q241 V243 L244 F245L161-M274 HydrophobicContact CB-CE 4.42Å; L161-M274 HydrophobicContact CD2-CE 3.9Å; L161-M274 HydrophobicContact CG-CE 3.81Å; S163-M274 VanDerWaalsContact CB-SD 3.57Å; F197-M274 HydrophobicContact CE1-CB 3.88Å; F197-M274 HydrophobicContact CE1-CG 3.73Å; F197-M274 HydrophobicContact CZ-CB 4.36Å; F197-M274 HydrophobicContact CZ-CG 4.27Å; Q241-M274 HydrophobicContact CB-CG 4.08Å; Q241-M274 HydrophobicContact CB-SD 4.44Å; Q241-M274 HydrophobicContact CG-CG 4.39Å; Q241-M274 HydrophobicContact CG-SD 4.21Å; V243-M274 PolarHBondContact O-N 3.15Å; L244-M274 CarbonylContact C-O 3.58Å; L244-M274 WeakPolarHBondContact CA-O 3.16Å; L244-M274 HydrophobicContact CD1-CB 3.69Å; F245-M274 PolarHBondContact N-O 2.87Å
275V95.4Very high80.1Confident1 Ų134 Ų341%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-132.9130.9-178.3-176.10000110S163 C165 F245 L247 L264 N268S163-V275 PolarHBondContact OG-N 3.44Å; S163-V275 VanDerWaalsContact OG-N 3.11Å; C165-V275 PolarHBondContact N-O 3.41Å; F245-V275 HydrophobicContact CB-CG2 4.4Å; F245-V275 WeakPolarHBondContact O-CA 3.48Å; L247-V275 HydrophobicContact CD1-CG1 3.61Å; L247-V275 HydrophobicContact CG-CG1 4.08Å; L264-V275 HydrophobicContact CD1-CG2 3.95Å; L264-V275 HydrophobicContact CD2-CG2 4.36Å; L264-V275 HydrophobicContact CG-CG2 3.84Å; N268-V275 WeakPolarHBondContact ND2-CG2 3.49Å
276I97.8Very high79.7Confident0 Ų037.5 Ų37.50%017%0.171CC..EExtended strand (participates in β ladder)trans-112.9124.4163.2-58.2176.2000107.2L161 C165 I167 L179 I182 L244 F245 L246 L247L161-I276 HydrophobicContact CD1-CD1 3.89Å; L161-I276 HydrophobicContact CD1-CG1 3.9Å; L161-I276 HydrophobicContact CD2-CD1 4.18Å; L161-I276 HydrophobicContact CD2-CG1 4.43Å; C165-I276 HydrophobicContact CB-CG1 4.01Å; C165-I276 CarbonylContact O-C 3.57Å; C165-I276 WeakPolarHBondContact O-CA 2.97Å; I167-I276 HydrophobicContact CD1-CG2 3.49Å; I167-I276 VanDerWaalsContact CD1-CG2 3.49Å; I167-I276 HydrophobicContact CG1-CG2 3.87Å; L179-I276 HydrophobicContact CD2-CB 4.3Å; L179-I276 HydrophobicContact CD2-CG2 3.59Å; I182-I276 HydrophobicContact CD1-CD1 4.23Å; L244-I276 HydrophobicContact CD1-CD1 4.28Å; L244-I276 HydrophobicContact CD1-CG1 4.09Å; F245-I276 PolarHBondContact O-N 3.45Å; L246-I276 HydrophobicContact CD2-CB 3.99Å; L246-I276 HydrophobicContact CD2-CD1 3.79Å; L246-I276 HydrophobicContact CD2-CG1 4.19Å; L247-I276 PolarHBondContact N-O 3.09Å
277V96.3Very high79.5Confident0 Ų034.4 Ų34.40%016%0.157CC..EExtended strand (participates in β ladder)trans-119.6132.817761.90000110.5C165 I166 I167 L205 L247 Y250 I265 I287C165-V277 PolarHBondContact O-N 2.88Å; I166-V277 WeakPolarHBondContact CA-O 3.27Å; I166-V277 HydrophobicContact CB-CG1 4.3Å; I166-V277 HydrophobicContact CG1-CG1 3.81Å; I166-V277 HydrophobicContact CG2-CG1 4.36Å; I167-V277 PolarHBondContact N-O 3.07Å; L205-V277 HydrophobicContact CD1-CG2 4.26Å; L247-V277 HydrophobicContact CB-CB 4.27Å; L247-V277 HydrophobicContact CB-CG2 4.18Å; L247-V277 WeakPolarHBondContact O-CA 3.42Å; Y250-V277 HydrophobicContact CD2-CG2 4.28Å; Y250-V277 HydrophobicContact CG-CG2 4.49Å; I265-V277 HydrophobicContact CD1-CG2 4.19Å; V277-I287 HydrophobicContact CG1-CD1 3.71Å; V277-I287 HydrophobicContact CG2-CD1 4.17Å
278T95.1Very high79.7Confident1 Ų131.9 Ų31.91%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-95.6143.4172.559.40000111.3I167 K175 L179 L247 D248 G249 Y250I167-T278 HydrophobicContact CB-CG2 4.1Å; I167-T278 HydrophobicContact CG2-CG2 4.4Å; I167-T278 VanDerWaalsContact O-CA 3.26Å; I167-T278 WeakPolarHBondContact O-CA 3.18Å; K175-T278 HydrophobicContact CB-CG2 3.85Å; L179-T278 HydrophobicContact CD1-CG2 3.47Å; L179-T278 VanDerWaalsContact CD1-CG2 3.47Å; L179-T278 HydrophobicContact CD2-CG2 4Å; L179-T278 HydrophobicContact CG-CG2 3.58Å; L247-T278 PolarHBondContact O-N 3.37Å; D248-T278 VanDerWaalsContact CA-OG1 3.32Å; D248-T278 WeakPolarHBondContact CA-OG1 3.46Å; D248-T278 PolarHBondContact OD1-OG1 3.48Å; G249-T278 PolarHBondContact N-OG1 2.73Å; Y250-T278 WeakPolarHBondContact CB-O 3.34Å; Y250-T278 PolarHBondContact N-O 2.97Å
279T85.8Confident79.9Confident0 Ų034.7 Ų34.70%016%0.158CC..  trans-149.7164.6174.6-166.80000111.2I166 I167 E168 K175 L284 I287I166-T279 HydrophobicContact CG2-CG2 3.93Å; I167-T279 PolarHBondContact O-N 3.19Å; E168-T279 WeakPolarHBondContact CA-O 3.45Å; E168-T279 HydrophobicContact CB-CG2 4.21Å; K175-T279 VanDerWaalsContact CD-O 3.23Å; K175-T279 WeakPolarHBondContact CD-O 3.5Å; K175-T279 WeakPolarHBondContact CE-O 3.37Å; T279-L284 HydrophobicContact CG2-CB 4.25Å; T279-L284 HydrophobicContact CG2-CD1 4.19Å; T279-I287 HydrophobicContact CG2-CD1 3.99Å; T279-I287 HydrophobicContact CG2-CG1 4.45Å
280T80.5Confident80.4Confident9 Ų932.3 Ų32.36%0.05515%0.146CC..  trans-79.4152.1168.455.40000111G169 N251 E282 C283 L284G169-T280 WeakPolarHBondContact O-CA 3.32Å; N251-T280 HydrophobicContact CB-CG2 4.24Å; T280-E282 PolarHBondContact O-N 3.26Å; T280-C283 CarbonylContact O-C 3.49Å; T280-C283 PolarHBondContact O-N 3.05Å; T280-C283 WeakPolarHBondContact OG1-CB 3.42Å; T280-C283 PolarHBondContact OG1-SG 3.49Å; T280-L284 PolarHBondContact O-N 2.88Å
281T76.9Confident80.9Confident57 Ų5725.5 Ų25.535%0.3512%0.123SC..G310 helixtrans-53.1-39.8176.6-44.50000111.9G169 E170 C283 L284G169-T281 VanDerWaalsContact C-OG1 3.26Å; G169-T281 WeakPolarHBondContact CA-OG1 3.47Å; G169-T281 PolarHBondContact O-N 3.01Å; E170-T281 PolarHBondContact N-OG1 3.42Å; T281-C283 VanDerWaalsContact C-N 3.32Å; T281-C283 PolarHBondContact O-N 2.84Å; T281-L284 WeakPolarHBondContact O-CB 3.49Å; T281-L284 PolarHBondContact O-N 3.46Å
282E71.9Confident81.6Confident49 Ų4926.5 Ų26.523%0.22914%0.137CC..G310 helixtrans-64.9-33.2179.3-59176.3156.300113.3T280 R285 S488T280-E282 PolarHBondContact O-N 3.26Å; E282-R285 PolarHBondContact O-NE 3.48Å; E282-R285 VanDerWaalsContact O-NE 3.12Å; E282-R285 PolarHBondContact O-NH2 3.21Å; E282-S488 VanDerWaalsContact OE1-CB 3.23Å; E282-S488 WeakPolarHBondContact OE1-CB 3.41Å; E282-S488 PolarHBondContact OE1-OG 3.04Å
283C74.9Confident82.2Confident9 Ų921.6 Ų21.66%0.06112%0.116CC..G310 helixtrans-96.8-4.6-178.8-69.90000113.3N251 T280 T281 R285 H286N251-C283 HydrophobicContact CB-CB 3.85Å; T280-C283 CarbonylContact O-C 3.49Å; T280-C283 PolarHBondContact O-N 3.05Å; T280-C283 WeakPolarHBondContact OG1-CB 3.42Å; T280-C283 PolarHBondContact OG1-SG 3.49Å; T281-C283 VanDerWaalsContact C-N 3.32Å; T281-C283 PolarHBondContact O-N 2.84Å; C283-R285 PolarHBondContact O-N 3Å; C283-R285 VanDerWaalsContact O-N 3.16Å; C283-H286 PolarHBondContact O-CD2 3.06Å; C283-H286 VanDerWaalsContact O-CD2 3.26Å; C283-H286 PolarHBondContact O-N 3.45Å
284L78.7Confident82.4Confident1 Ų122.3 Ų22.31%0.00512%0.119CC..G310 helixtrans-53.6-3717917265.8000111.8I166 E168 T279 T280 T281 H286 I287 R288I166-L284 HydrophobicContact CG2-CD1 3.73Å; E168-L284 WeakPolarHBondContact OE2-CD2 3.3Å; T279-L284 HydrophobicContact CG2-CB 4.25Å; T279-L284 HydrophobicContact CG2-CD1 4.19Å; T280-L284 PolarHBondContact O-N 2.88Å; T281-L284 WeakPolarHBondContact O-CB 3.49Å; T281-L284 PolarHBondContact O-N 3.46Å; L284-H286 PolarHBondContact O-N 3.26Å; L284-I287 PolarHBondContact O-N 3.32Å; L284-R288 HydrophobicContact CD1-CB 4.22Å; L284-R288 HydrophobicContact CG-CB 4.1Å; L284-R288 HydrophobicContact CG-CG 4.42Å; L284-R288 WeakPolarHBondContact O-CB 3.16Å; L284-R288 PolarHBondContact O-N 3.12Å
285R71.6Confident82.4Confident24 Ų2421.4 Ų21.49%0.09112%0.115CC..G310 helixtrans-48.6-32.3-179.673.5-17886.3-170.86.7113.3E282 C283 I287 T484 G520 L521E282-R285 PolarHBondContact O-NE 3.48Å; E282-R285 VanDerWaalsContact O-NE 3.12Å; E282-R285 PolarHBondContact O-NH2 3.21Å; C283-R285 PolarHBondContact O-N 3Å; C283-R285 VanDerWaalsContact O-N 3.16Å; R285-I287 VanDerWaalsContact C-N 3.33Å; R285-I287 PolarHBondContact O-N 3.1Å; R285-T484 PolarHBondContact NH1-OG1 2.52Å; R285-T484 PolarHBondContact NH2-O 3.34Å; R285-T484 VanDerWaalsContact NH2-O 3.09Å; R285-T484 PolarHBondContact NH2-OG1 3.25Å; R285-G520 VanDerWaalsContact O-CA 3.32Å; R285-G520 WeakPolarHBondContact O-CA 3.47Å; R285-L521 HydrophobicContact CB-CD2 4.44Å
286H74.2Confident82.3Confident73 Ų7322.5 Ų22.534%0.33812%0.12SC..G310 helixtrans-72.3-25-176.6-60-59.2000114.2Y250 C283 L284Y250-H286 HydrophobicContact CE1-CB 3.75Å; C283-H286 PolarHBondContact O-CD2 3.06Å; C283-H286 VanDerWaalsContact O-CD2 3.26Å; C283-H286 PolarHBondContact O-N 3.45Å; L284-H286 PolarHBondContact O-N 3.26Å
287I78.2Confident81.9Confident0 Ų022.7 Ų22.70%012%0.121CC..THydrogen-bonded Turntrans-125.4-8.9-175.354.1166.6000114.3I166 Y250 I265 V277 T279 L284 R285 Q289 F290I166-I287 HydrophobicContact CD1-CB 4.21Å; I166-I287 HydrophobicContact CD1-CD1 4.09Å; I166-I287 HydrophobicContact CD1-CG1 4.04Å; I166-I287 VanDerWaalsContact CD1-O 3.22Å; I166-I287 WeakPolarHBondContact CD1-O 3.29Å; I166-I287 HydrophobicContact CG1-CD1 4.26Å; I166-I287 HydrophobicContact CG2-CD1 3.82Å; I166-I287 HydrophobicContact CG2-CG1 4.43Å; Y250-I287 HydrophobicContact CD1-CD1 4.29Å; Y250-I287 HydrophobicContact CD1-CG1 4.37Å; Y250-I287 HydrophobicContact CD1-CG2 3.87Å; Y250-I287 HydrophobicContact CD2-CG2 4Å; Y250-I287 HydrophobicContact CE1-CG2 3.43Å; Y250-I287 VanDerWaalsContact CE1-CG2 3.43Å; Y250-I287 HydrophobicContact CE2-CG2 3.57Å; Y250-I287 HydrophobicContact CG-CD1 4.1Å; Y250-I287 HydrophobicContact CG-CG2 4.14Å; I265-I287 HydrophobicContact CG2-CG2 4.19Å; V277-I287 HydrophobicContact CG1-CD1 3.71Å; V277-I287 HydrophobicContact CG2-CD1 4.17Å; T279-I287 HydrophobicContact CG2-CD1 3.99Å; T279-I287 HydrophobicContact CG2-CG1 4.45Å; L284-I287 PolarHBondContact O-N 3.32Å; R285-I287 VanDerWaalsContact C-N 3.33Å; R285-I287 PolarHBondContact O-N 3.1Å; I287-Q289 VanDerWaalsContact C-N 3.26Å; I287-Q289 PolarHBondContact O-N 2.84Å; I287-Q289 VanDerWaalsContact O-N 3.12Å; I287-F290 PolarHBondContact O-N 2.78Å
288R77.9Confident81.4Confident12 Ų1222.9 Ų22.95%0.04512%0.124CC..G310 helixtrans-47.5-46.3-176.7-174.9173.1-179.371.6-0.9113.5D143 Q144 H146 L284 F290 G291 I294D143-R288 PolarHBondContact O-NH2 2.93Å; Q144-R288 VanDerWaalsContact CA-NH2 3.28Å; Q144-R288 PolarHBondContact O-NH2 3.05Å; H146-R288 VanDerWaalsContact CD2-CZ 3.41Å; H146-R288 PolarHBondContact CD2-NH1 3.23Å; H146-R288 PolarHBondContact CE1-NE 3.39Å; H146-R288 VanDerWaalsContact N-NH2 3.2Å; H146-R288 PolarHBondContact ND1-NH2 3.02Å; H146-R288 WeakPolarHBondContact NE2-CD 3.48Å; H146-R288 PolarHBondContact NE2-NE 3.35Å; H146-R288 PolarHBondContact NE2-NH1 2.91Å; L284-R288 HydrophobicContact CD1-CB 4.22Å; L284-R288 HydrophobicContact CG-CB 4.1Å; L284-R288 HydrophobicContact CG-CG 4.42Å; L284-R288 WeakPolarHBondContact O-CB 3.16Å; L284-R288 PolarHBondContact O-N 3.12Å; R288-F290 PolarHBondContact O-N 3.14Å; R288-F290 VanDerWaalsContact O-N 3.13Å; R288-G291 PolarHBondContact O-N 2.96Å; R288-G291 VanDerWaalsContact O-N 3.16Å; R288-I294 HydrophobicContact CG-CD1 4.05Å
289Q71.7Confident81.1Confident80 Ų8025.9 Ų25.937%0.37414%0.14SC..G310 helixtrans-67.8-10.8-176.370.8-173.319.800114I287 K525I287-Q289 VanDerWaalsContact C-N 3.26Å; I287-Q289 PolarHBondContact O-N 2.84Å; I287-Q289 VanDerWaalsContact O-N 3.12Å; Q289-K525 WeakPolarHBondContact O-CE 3.45Å; Q289-K525 PolarHBondContact O-NZ 3.06Å
290F77.3Confident81.3Confident57 Ų5727 Ų2725%0.2515%0.145CC..G310 helixtrans-100.5-15.7177.3-52.3-77000112.2P164 K266 I287 R288 A292P164-F290 VanDerWaalsContact CD-O 3.27Å; P164-F290 WeakPolarHBondContact CD-O 3.29Å; K266-F290 HydrophobicContact CB-CD1 3.99Å; K266-F290 HydrophobicContact CB-CD2 4.35Å; K266-F290 HydrophobicContact CB-CE1 3.83Å; K266-F290 HydrophobicContact CB-CE2 4.23Å; K266-F290 HydrophobicContact CB-CG 4.23Å; K266-F290 HydrophobicContact CB-CZ 3.93Å; K266-F290 HydrophobicContact CD-CD2 4.2Å; K266-F290 HydrophobicContact CD-CE1 4.44Å; K266-F290 HydrophobicContact CD-CE2 3.55Å; K266-F290 HydrophobicContact CD-CZ 3.67Å; K266-F290 VanDerWaalsContact CE-CE2 3.5Å; K266-F290 HydrophobicContact CG-CD1 4.27Å; K266-F290 HydrophobicContact CG-CD2 3.72Å; K266-F290 HydrophobicContact CG-CE1 4.13Å; K266-F290 HydrophobicContact CG-CE2 3.59Å; K266-F290 HydrophobicContact CG-CG 4.06Å; K266-F290 HydrophobicContact CG-CZ 3.77Å; K266-F290 WeakPolarHBondContact O-CD1 3.21Å; I287-F290 PolarHBondContact O-N 2.78Å; R288-F290 PolarHBondContact O-N 3.14Å; R288-F290 VanDerWaalsContact O-N 3.13Å; F290-A292 PolarHBondContact O-N 3.26Å
291G76.7Confident81.8Confident10 Ų1029.3 Ų29.310%0.10316%0.159CC..  trans-67.8126.3179.400000112.6P164 I166 R288P164-G291 WeakPolarHBondContact O-CA 3.3Å; I166-G291 VanDerWaalsContact CD1-CA 3.5Å; R288-G291 PolarHBondContact O-N 2.96Å; R288-G291 VanDerWaalsContact O-N 3.16Å
292A82.6Confident82.3Confident51 Ų5131.6 Ų31.642%0.42117%0.166SC..SBendtrans-85.4-38.2167.600000110.9Q162 S163 P164 F290Q162-A292 HydrophobicContact CB-CB 3.83Å; Q162-A292 PolarHBondContact OE1-O 3.37Å; S163-A292 WeakPolarHBondContact O-CB 3.43Å; P164-A292 PolarHBondContact O-N 3.23Å; F290-A292 PolarHBondContact O-N 3.26Å
293L87.1Confident83.2Confident2 Ų235 Ų351%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-122.3132.7171179.762.6000109.1R141 L157 L161 Q162 P164 C165 I166R141-L293 HydrophobicContact CG-CD1 3.97Å; L157-L293 HydrophobicContact CD1-CD2 3.82Å; L161-L293 HydrophobicContact CD1-CD2 4.49Å; Q162-L293 HydrophobicContact CB-CB 4.07Å; P164-L293 PolarHBondContact O-N 3.36Å; C165-L293 CarbonylContact C-O 3.58Å; C165-L293 WeakPolarHBondContact CA-O 3.05Å; C165-L293 HydrophobicContact CB-CB 4.48Å; I166-L293 PolarHBondContact N-O 3.33Å
294I88.1Confident84.1Confident14 Ų1435.7 Ų35.77%0.07219%0.191CC..EExtended strand (participates in β ladder)trans-122.6127.5174.2-55.3179.4000107.7K142 I166 R288K142-I294 HydrophobicContact CB-CB 4.34Å; K142-I294 HydrophobicContact CB-CG2 4.13Å; K142-I294 PolarHBondContact N-O 3.01Å; I166-I294 HydrophobicContact CB-CG1 4.38Å; I166-I294 CarbonylContact O-C 3.51Å; I166-I294 WeakPolarHBondContact O-CA 3.49Å; R288-I294 HydrophobicContact CG-CD1 4.05Å
295A92.4Very high84.7Confident0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-124.2139.8174.800000110.1W140 L157 I166 I167 E168W140-A295 CarbonylContact O-C 3.55Å; W140-A295 VanDerWaalsContact O-CA 3.25Å; W140-A295 WeakPolarHBondContact O-CA 3.45Å; L157-A295 HydrophobicContact CD1-CB 3.83Å; I166-A295 PolarHBondContact O-N 2.99Å; I167-A295 CarbonylContact C-O 3.55Å; I167-A295 WeakPolarHBondContact CA-O 3.21Å; E168-A295 PolarHBondContact N-O 3Å
296E91.9Very high85.7Confident23 Ų2337 Ų3711%0.10720%0.198CC..EExtended strand (participates in β ladder)trans-102.1132.6172-176.1-165.1161.100109.3L139 W140 K142 R148 E168 G298L139-E296 CarbonylContact C-O 3.54Å; L139-E296 WeakPolarHBondContact CA-O 3.45Å; W140-E296 HydrophobicContact CB-CB 4.41Å; W140-E296 PolarHBondContact N-O 3.21Å; W140-E296 PolarHBondContact O-N 2.86Å; K142-E296 HydrophobicContact CD-CB 4.12Å; K142-E296 WeakPolarHBondContact CE-OE2 3.4Å; K142-E296 HydrophobicContact CG-CB 4.47Å; K142-E296 IonicContact NZ-OE2 2.68Å; K142-E296 PolarHBondContact NZ-OE2 3.42Å; R148-E296 IonicContact CZ-OE1 3.8Å; R148-E296 IonicContact CZ-OE2 2.75Å; R148-E296 IonicContact NE-OE1 3.23Å; R148-E296 IonicContact NE-OE2 3.37Å; R148-E296 PolarHBondContact NE-OE2 2.92Å; R148-E296 IonicContact NH2-OE1 2.61Å; R148-E296 PolarHBondContact NH2-OE1 3.36Å; R148-E296 IonicContact NH2-OE2 3.81Å; R148-E296 PolarHBondContact NH2-OE2 3.01Å; E168-E296 HydrophobicContact CG-CB 4.18Å; E168-E296 HydrophobicContact CG-CG 4.41Å; E168-E296 CarbonylContact O-C 3.38Å; E168-E296 WeakPolarHBondContact O-CA 3.35Å; E296-G298 PolarHBondContact O-N 3.39Å
297V91.1Very high86.6Confident4 Ų435.4 Ų35.42%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-78.2110.3163.8-174.10000108.4P137 L139 I167 E168 K173 K175 L178P137-V297 HydrophobicContact CB-CG1 4.2Å; L139-V297 HydrophobicContact CD2-CB 4.45Å; L139-V297 HydrophobicContact CD2-CG2 3.9Å; I167-V297 HydrophobicContact CG2-CG2 3.6Å; E168-V297 PolarHBondContact O-N 2.84Å; K173-V297 HydrophobicContact CB-CB 4.36Å; K173-V297 HydrophobicContact CB-CG1 4.11Å; K173-V297 WeakPolarHBondContact O-CG1 3.47Å; K175-V297 HydrophobicContact CG-CG2 3.92Å; L178-V297 HydrophobicContact CD2-CG2 4.27Å
298G85.2Confident87.2Confident5 Ų535.6 Ų35.65%0.05220%0.199CC..  trans-75.8-172-178.400000113.9V138 E296V138-G298 PolarHBondContact O-N 2.94Å; E296-G298 PolarHBondContact O-N 3.39Å
299D88.3Confident87.9Confident64 Ų6435.1 Ų35.134%0.34220%0.197SC..PPolyproline II helixtrans-67.6139.5178.2-71.2-21.2000111.8K173 T301 K336K173-D299 IonicContact NZ-OD1 3.68Å; K173-D299 PolarHBondContact NZ-OD1 3.35Å; D299-T301 PolarHBondContact O-N 3.13Å; D299-K336 HydrophobicContact CB-CB 3.96Å; D299-K336 HydrophobicContact CB-CD 4.28Å; D299-K336 HydrophobicContact CB-CG 4.2Å; D299-K336 IonicContact OD2-NZ 3.22Å
300M90.1Very high88.9Confident23 Ų2337 Ų3711%0.11320%0.201CC..PPolyproline II helixtrans-64130.7169.7-167.3177.5-162.200109.2S304 A305 L308 K336 P338 V341M300-S304 VanDerWaalsContact CE-C 3.4Å; M300-S304 VanDerWaalsContact CE-O 3.28Å; M300-S304 WeakPolarHBondContact CE-O 3.4Å; M300-A305 HydrophobicContact CE-CB 4.49Å; M300-A305 HydrophobicContact CG-CB 4.39Å; M300-A305 HydrophobicContact SD-CB 4Å; M300-L308 HydrophobicContact CE-CB 3.95Å; M300-L308 HydrophobicContact CE-CD2 3.86Å; M300-K336 PolarHBondContact N-O 3.14Å; M300-P338 HydrophobicContact CB-CG 4.38Å; M300-P338 HydrophobicContact CG-CG 4.48Å; M300-P338 HydrophobicContact SD-CB 4.13Å; M300-P338 HydrophobicContact SD-CG 3.79Å; M300-V341 HydrophobicContact SD-CG2 4.05Å
301T90.5Very high89.5Confident57 Ų5740 Ų4035%0.3522%0.216SC..PPolyproline II helixtrans-69.8153.7176.865.90000110.6V138 D299 D303 S304 A305V138-T301 HydrophobicContact CG2-CG2 3.93Å; D299-T301 PolarHBondContact O-N 3.13Å; T301-D303 PolarHBondContact O-N 3.47Å; T301-S304 PolarHBondContact O-N 3.05Å; T301-S304 VanDerWaalsContact O-N 3.17Å; T301-S304 WeakPolarHBondContact OG1-CB 3.34Å; T301-S304 PolarHBondContact OG1-N 3.27Å; T301-S304 PolarHBondContact OG1-OG 3.36Å; T301-A305 PolarHBondContact O-N 3.21Å
302E88.9Confident90.1Very high106 Ų10640.8 Ų40.850%0.49522%0.218SC..Hα-helixtrans-56-42.2175.8-68-172-176.900110.9S304 A305 Q306 R332E302-S304 PolarHBondContact O-N 2.93Å; E302-A305 PolarHBondContact O-N 2.95Å; E302-Q306 VanDerWaalsContact O-CG 3.25Å; E302-Q306 WeakPolarHBondContact O-CG 3.43Å; E302-Q306 PolarHBondContact O-N 3.44Å; E302-R332 VanDerWaalsContact OE1-CD 3.26Å; E302-R332 WeakPolarHBondContact OE1-CD 3.4Å; E302-R332 IonicContact OE1-NH1 3.67Å
303D90.6Very high90.4Very high121 Ų12138.9 Ų38.965%0.64720%0.201SC*.Hα-helixtrans-61.6-42.9178-60.8-34.3000112.7T301 Q306 A307T301-D303 PolarHBondContact O-N 3.47Å; D303-Q306 PolarHBondContact O-N 3.22Å; D303-A307 WeakPolarHBondContact O-CB 3.43Å; D303-A307 PolarHBondContact O-N 2.86Å
304S92.3Very high90.5Very high23 Ų2343.9 Ų43.916%0.16123%0.227CC..Hα-helixtrans-66.1-41177.6-57.60000110.9M300 T301 E302 A307 L308M300-S304 VanDerWaalsContact CE-C 3.4Å; M300-S304 VanDerWaalsContact CE-O 3.28Å; M300-S304 WeakPolarHBondContact CE-O 3.4Å; T301-S304 PolarHBondContact O-N 3.05Å; T301-S304 VanDerWaalsContact O-N 3.17Å; T301-S304 WeakPolarHBondContact OG1-CB 3.34Å; T301-S304 PolarHBondContact OG1-N 3.27Å; T301-S304 PolarHBondContact OG1-OG 3.36Å; E302-S304 PolarHBondContact O-N 2.93Å; S304-A307 PolarHBondContact O-N 3.1Å; S304-L308 WeakPolarHBondContact O-CB 3.26Å; S304-L308 PolarHBondContact O-N 2.61Å
305A92.4Very high90.6Very high5 Ų550.9 Ų50.94%0.04126%0.257CS..Hα-helixtrans-63.7-43176.600000111.2M300 T301 E302 L308 I309 M335 V341M300-A305 HydrophobicContact CE-CB 4.49Å; M300-A305 HydrophobicContact CG-CB 4.39Å; M300-A305 HydrophobicContact SD-CB 4Å; T301-A305 PolarHBondContact O-N 3.21Å; E302-A305 PolarHBondContact O-N 2.95Å; A305-L308 PolarHBondContact O-N 3.03Å; A305-I309 VanDerWaalsContact O-CG1 3.23Å; A305-I309 WeakPolarHBondContact O-CG1 3.42Å; A305-I309 PolarHBondContact O-N 2.69Å; A305-M335 HydrophobicContact CB-CB 4.35Å; A305-V341 HydrophobicContact CB-CG2 4.15Å
306Q92.9Very high90.5Very high47 Ų4757.5 Ų57.522%0.2229%0.288CS..Hα-helixtrans-62.1-43.2174.9-69.2-177.925.300112.2E302 D303 L308 I309 R310 L322E302-Q306 VanDerWaalsContact O-CG 3.25Å; E302-Q306 WeakPolarHBondContact O-CG 3.43Å; E302-Q306 PolarHBondContact O-N 3.44Å; D303-Q306 PolarHBondContact O-N 3.22Å; Q306-L308 VanDerWaalsContact C-N 3.35Å; Q306-I309 PolarHBondContact O-N 3.36Å; Q306-R310 WeakPolarHBondContact O-CG 3.36Å; Q306-R310 PolarHBondContact O-N 3.41Å; Q306-L322 HydrophobicContact CB-CD2 4.27Å; Q306-L322 HydrophobicContact CG-CD2 3.68Å
307A91.5Very high90.4Very high40 Ų4058.9 Ų58.933%0.33130%0.295SS..Hα-helixtrans-59.6-47.417600000110.6T135 D303 S304 I309 R310 E311T135-A307 HydrophobicContact CG2-CB 4.34Å; D303-A307 WeakPolarHBondContact O-CB 3.43Å; D303-A307 PolarHBondContact O-N 2.86Å; S304-A307 PolarHBondContact O-N 3.1Å; A307-I309 PolarHBondContact O-N 3.17Å; A307-R310 PolarHBondContact O-N 2.93Å; A307-E311 WeakPolarHBondContact O-CG 3.41Å; A307-E311 PolarHBondContact O-N 2.95Å
308L91.7Very high90.4Very high3 Ų358.8 Ų58.82%0.01630%0.295CS..Hα-helixtrans-60.7-43.1177178.458.2000112.5F128 M300 S304 A305 Q306 R310 E311 V312 V341 V342F128-L308 HydrophobicContact CD2-CD1 4.24Å; F128-L308 HydrophobicContact CE2-CD1 3.49Å; F128-L308 VanDerWaalsContact CE2-CD1 3.49Å; F128-L308 HydrophobicContact CE2-CD2 4.38Å; F128-L308 HydrophobicContact CZ-CD1 4.29Å; M300-L308 HydrophobicContact CE-CB 3.95Å; M300-L308 HydrophobicContact CE-CD2 3.86Å; S304-L308 WeakPolarHBondContact O-CB 3.26Å; S304-L308 PolarHBondContact O-N 2.61Å; A305-L308 PolarHBondContact O-N 3.03Å; Q306-L308 VanDerWaalsContact C-N 3.35Å; L308-R310 PolarHBondContact O-N 2.77Å; L308-E311 PolarHBondContact O-N 2.9Å; L308-V312 HydrophobicContact CD1-CG2 3.76Å; L308-V312 HydrophobicContact CG-CG2 4.44Å; L308-V312 WeakPolarHBondContact O-CB 3.47Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.38Å; L308-V312 PolarHBondContact O-N 3.4Å; L308-V341 HydrophobicContact CD2-CB 4.15Å; L308-V341 HydrophobicContact CD2-CG1 3.89Å; L308-V341 HydrophobicContact CG-CG1 4.18Å; L308-V342 HydrophobicContact CD2-CG2 4.27Å
309I92.7Very high90.7Very high2 Ų262.3 Ų62.31%0.0131%0.31CS..Hα-helixtrans-60.9-45.4177.6-69.8164.7000110.9A305 Q306 A307 E311 V312 L313 A318 L321 L322 I325 V341A305-I309 VanDerWaalsContact O-CG1 3.23Å; A305-I309 WeakPolarHBondContact O-CG1 3.42Å; A305-I309 PolarHBondContact O-N 2.69Å; Q306-I309 PolarHBondContact O-N 3.36Å; A307-I309 PolarHBondContact O-N 3.17Å; I309-E311 VanDerWaalsContact C-N 3.34Å; I309-E311 PolarHBondContact O-N 2.97Å; I309-V312 PolarHBondContact O-N 2.88Å; I309-L313 HydrophobicContact CG2-CD1 4.05Å; I309-L313 WeakPolarHBondContact O-CB 3.44Å; I309-L313 PolarHBondContact O-N 3.38Å; I309-A318 HydrophobicContact CG2-CB 4.03Å; I309-L321 HydrophobicContact CD1-CD2 4.25Å; I309-L321 HydrophobicContact CG1-CD2 4.3Å; I309-L321 HydrophobicContact CG2-CD2 4.12Å; I309-L322 HydrophobicContact CD1-CD2 3.74Å; I309-L322 HydrophobicContact CG2-CD2 4.41Å; I309-L322 HydrophobicContact CG2-CG 4.4Å; I309-I325 HydrophobicContact CD1-CD1 3.59Å; I309-V341 HydrophobicContact CD1-CG1 4.11Å; I309-V341 HydrophobicContact CG1-CG1 3.57Å
310R92.3Very high90.7Very high119 Ų11960.4 Ų60.445%0.44931%0.306SS..Hα-helixtrans-68.5-30.7-179.3-72.5-179.8179.6124.43.4113.4Q306 A307 L308 A318 E319Q306-R310 WeakPolarHBondContact O-CG 3.36Å; Q306-R310 PolarHBondContact O-N 3.41Å; A307-R310 PolarHBondContact O-N 2.93Å; L308-R310 PolarHBondContact O-N 2.77Å; R310-A318 HydrophobicContact CG-CB 4.43Å; R310-E319 IonicContact NE-OE1 3.23Å; R310-E319 IonicContact NH2-OE1 3.85Å
311E90.3Very high90.7Very high121 Ų12159.3 Ų59.357%0.56530%0.3SS*.Hα-helixtrans-77.1-31.1175.7-71.5-63.5143.600112.5T133 A307 L308 I309T133-E311 HydrophobicContact CG2-CB 4.36Å; A307-E311 WeakPolarHBondContact O-CG 3.41Å; A307-E311 PolarHBondContact O-N 2.95Å; L308-E311 PolarHBondContact O-N 2.9Å; I309-E311 VanDerWaalsContact C-N 3.34Å; I309-E311 PolarHBondContact O-N 2.97Å
312V88.2Confident90.7Very high26 Ų2657.1 Ų57.116%0.15829%0.286CS..Hα-helixtrans-88.7-36.3-177.4171.70000112.9I126 L308 I309 C345 M349I126-V312 HydrophobicContact CB-CG1 4.47Å; I126-V312 HydrophobicContact CD1-CG1 4.07Å; I126-V312 HydrophobicContact CG1-CG1 3.97Å; I126-V312 HydrophobicContact CG2-CG1 3.77Å; I126-V312 HydrophobicContact CG2-CG2 4.47Å; L308-V312 HydrophobicContact CD1-CG2 3.76Å; L308-V312 HydrophobicContact CG-CG2 4.44Å; L308-V312 WeakPolarHBondContact O-CB 3.47Å; L308-V312 VanDerWaalsContact O-CG2 3.3Å; L308-V312 WeakPolarHBondContact O-CG2 3.38Å; L308-V312 PolarHBondContact O-N 3.4Å; I309-V312 PolarHBondContact O-N 2.88Å; V312-C345 HydrophobicContact CG1-CB 3.99Å; V312-M349 HydrophobicContact CG1-CE 4.27Å
313L89.3Confident90.7Very high11 Ų1156.6 Ų56.66%0.05829%0.287CS..SBendtrans-104151-175.9-65.6-178000112.3I309 L317 A318 L321 C345 Q348 M349I309-L313 HydrophobicContact CG2-CD1 4.05Å; I309-L313 WeakPolarHBondContact O-CB 3.44Å; I309-L313 PolarHBondContact O-N 3.38Å; L313-L317 HydrophobicContact CB-CB 4.36Å; L313-L317 HydrophobicContact CD1-CB 4.27Å; L313-A318 HydrophobicContact CB-CB 3.99Å; L313-L321 HydrophobicContact CD1-CB 4.47Å; L313-L321 HydrophobicContact CD1-CD2 3.9Å; L313-C345 HydrophobicContact CD1-CB 4.15Å; L313-C345 HydrophobicContact CD2-CB 3.92Å; L313-C345 HydrophobicContact CG-CB 3.97Å; L313-Q348 HydrophobicContact CD1-CB 4.25Å; L313-Q348 HydrophobicContact CD1-CG 4.24Å; L313-M349 HydrophobicContact CD2-CE 3.47Å; L313-M349 VanDerWaalsContact CD2-CE 3.47Å; L313-M349 HydrophobicContact CD2-CG 3.67Å; L313-M349 HydrophobicContact CD2-SD 4.37Å
314I90.4Very high90.5Very high108 Ų10851.9 Ų51.955%0.55426%0.26SS*.  trans-61.5150.6164.262.6173.7000110.4E316 L317 A318I314-E316 VanDerWaalsContact C-N 3.27Å; I314-E316 PolarHBondContact O-N 2.87Å; I314-E316 VanDerWaalsContact O-N 3.12Å; I314-L317 HydrophobicContact CD1-CD1 4.06Å; I314-L317 HydrophobicContact CD1-CG 4.08Å; I314-L317 HydrophobicContact CG1-CB 4.06Å; I314-L317 HydrophobicContact CG1-CD1 3.84Å; I314-L317 HydrophobicContact CG1-CG 3.79Å; I314-L317 PolarHBondContact O-N 2.69Å; I314-L317 VanDerWaalsContact O-N 3.08Å; I314-A318 WeakPolarHBondContact O-CB 3.35Å; I314-A318 PolarHBondContact O-N 2.75Å
315K89.7Confident90.3Very high161 Ų16151.6 Ų51.670%0.726%0.257SS*.Hα-helixtrans-52.3-41.5-169.2-171.8177.6178.9-179.20113.4E319K315-E319 WeakPolarHBondContact O-CG 3.49Å; K315-E319 PolarHBondContact O-N 3.49Å; K315-E319 VanDerWaalsContact O-N 3.09Å
316E89.9Confident89.9Confident139 Ų13956.8 Ų56.865%0.6528%0.28SS*.Hα-helixtrans-66-45-178.5-60.177-16500112.1I314 G320I314-E316 VanDerWaalsContact C-N 3.27Å; I314-E316 PolarHBondContact O-N 2.87Å; I314-E316 VanDerWaalsContact O-N 3.12Å; E316-G320 PolarHBondContact O-N 3.48Å; E316-G320 VanDerWaalsContact O-N 3.14Å
317L89.9Confident89.5Confident51 Ų5162.9 Ų62.927%0.26731%0.306SS..Hα-helixtrans-71.2-37178.5-65.4-178.8000111.6L313 I314 G320 L321 Q348L313-L317 HydrophobicContact CB-CB 4.36Å; L313-L317 HydrophobicContact CD1-CB 4.27Å; I314-L317 HydrophobicContact CD1-CD1 4.06Å; I314-L317 HydrophobicContact CD1-CG 4.08Å; I314-L317 HydrophobicContact CG1-CB 4.06Å; I314-L317 HydrophobicContact CG1-CD1 3.84Å; I314-L317 HydrophobicContact CG1-CG 3.79Å; I314-L317 PolarHBondContact O-N 2.69Å; I314-L317 VanDerWaalsContact O-N 3.08Å; L317-G320 PolarHBondContact O-N 3.45Å; L317-L321 WeakPolarHBondContact O-CB 3.13Å; L317-L321 PolarHBondContact O-N 2.95Å; L317-Q348 HydrophobicContact CB-CG 4.12Å; L317-Q348 HydrophobicContact CD2-CG 4.4Å
318A90.6Very high89Confident2 Ų262.2 Ų62.22%0.01730%0.299CS..Hα-helixtrans-58.8-53.417600000111I309 R310 L313 I314 G320 L321 L322I309-A318 HydrophobicContact CG2-CB 4.03Å; R310-A318 HydrophobicContact CG-CB 4.43Å; L313-A318 HydrophobicContact CB-CB 3.99Å; I314-A318 WeakPolarHBondContact O-CB 3.35Å; I314-A318 PolarHBondContact O-N 2.75Å; A318-G320 VanDerWaalsContact C-N 3.32Å; A318-G320 PolarHBondContact O-N 2.98Å; A318-L321 PolarHBondContact O-N 3.19Å; A318-L322 VanDerWaalsContact O-CG 3.24Å; A318-L322 WeakPolarHBondContact O-CG 3.28Å; A318-L322 PolarHBondContact O-N 3.24Å
319E91.4Very high88.4Confident80 Ų8069.5 Ų69.537%0.37433%0.326SS..Hα-helixtrans-65-36.2180-66.3-59.4152.800112.1R310 K315 L322 L323R310-E319 IonicContact NE-OE1 3.23Å; R310-E319 IonicContact NH2-OE1 3.85Å; K315-E319 WeakPolarHBondContact O-CG 3.49Å; K315-E319 PolarHBondContact O-N 3.49Å; K315-E319 VanDerWaalsContact O-N 3.09Å; E319-L322 PolarHBondContact O-N 3.43Å; E319-L323 WeakPolarHBondContact O-CG 3.48Å; E319-L323 PolarHBondContact O-N 3.37Å
320G88.1Confident87.7Confident24 Ų2471.7 Ų71.725%0.24734%0.341CS..Hα-helixtrans-60.4-44.3173.300000113.4E316 L317 A318 Q324E316-G320 PolarHBondContact O-N 3.48Å; E316-G320 VanDerWaalsContact O-N 3.14Å; L317-G320 PolarHBondContact O-N 3.45Å; A318-G320 VanDerWaalsContact C-N 3.32Å; A318-G320 PolarHBondContact O-N 2.98Å; G320-Q324 PolarHBondContact O-N 2.94Å; G320-Q324 PolarHBondContact O-NE2 3.29Å
321L90.4Very high87.2Confident0 Ų066.2 Ų66.20%032%0.321CS..Hα-helixtrans-68.2-41.2177179.857.5000111.8I309 L313 L317 A318 L323 Q324 I325 Q348 F354I309-L321 HydrophobicContact CD1-CD2 4.25Å; I309-L321 HydrophobicContact CG1-CD2 4.3Å; I309-L321 HydrophobicContact CG2-CD2 4.12Å; L313-L321 HydrophobicContact CD1-CB 4.47Å; L313-L321 HydrophobicContact CD1-CD2 3.9Å; L317-L321 WeakPolarHBondContact O-CB 3.13Å; L317-L321 PolarHBondContact O-N 2.95Å; A318-L321 PolarHBondContact O-N 3.19Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.94Å; L321-Q324 WeakPolarHBondContact O-CB 3.21Å; L321-Q324 PolarHBondContact O-N 3.46Å; L321-Q324 VanDerWaalsContact O-N 3.13Å; L321-I325 HydrophobicContact CD1-CD1 4.13Å; L321-I325 HydrophobicContact CD1-CG1 4.29Å; L321-I325 HydrophobicContact CG-CD1 3.82Å; L321-I325 HydrophobicContact CG-CG1 4.45Å; L321-I325 WeakPolarHBondContact O-CG1 3.3Å; L321-I325 PolarHBondContact O-N 2.75Å; L321-Q348 HydrophobicContact CB-CB 4.44Å; L321-Q348 HydrophobicContact CB-CG 3.98Å; L321-Q348 HydrophobicContact CD2-CB 4.31Å; L321-F354 HydrophobicContact CD1-CE1 3.88Å; L321-F354 HydrophobicContact CD1-CZ 4.12Å
322L91.1Very high87Confident11 Ų1164.9 Ų64.96%0.05831%0.311CS..Hα-helixtrans-60.6-40.6178.1-70.9179.4000112.1Q306 I309 A318 E319 Q324 I325 Q326Q306-L322 HydrophobicContact CB-CD2 4.27Å; Q306-L322 HydrophobicContact CG-CD2 3.68Å; I309-L322 HydrophobicContact CD1-CD2 3.74Å; I309-L322 HydrophobicContact CG2-CD2 4.41Å; I309-L322 HydrophobicContact CG2-CG 4.4Å; A318-L322 VanDerWaalsContact O-CG 3.24Å; A318-L322 WeakPolarHBondContact O-CG 3.28Å; A318-L322 PolarHBondContact O-N 3.24Å; E319-L322 PolarHBondContact O-N 3.43Å; L322-Q324 VanDerWaalsContact C-N 3.34Å; L322-Q324 PolarHBondContact O-N 2.92Å; L322-I325 HydrophobicContact CD2-CD1 4.5Å; L322-I325 PolarHBondContact O-N 3.19Å; L322-Q326 WeakPolarHBondContact O-CG 3.33Å; L322-Q326 PolarHBondContact O-N 3.17Å
323L88.3Confident86.6Confident95 Ų9566.2 Ų66.250%0.49732%0.317SS..Hα-helixtrans-63.1-38.9174.4-72.8170.8000112.4E319 L321 Q326 K327E319-L323 WeakPolarHBondContact O-CG 3.48Å; E319-L323 PolarHBondContact O-N 3.37Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 2.94Å; L323-Q326 PolarHBondContact O-N 2.7Å; L323-K327 WeakPolarHBondContact O-CG 3.33Å; L323-K327 PolarHBondContact O-N 3.26Å
324Q87.6Confident86.5Confident21 Ų2166.7 Ų66.710%0.09832%0.319CS..Hα-helixtrans-66.8-43.3176.3-71.317568.800111.9G320 L321 L322 Q326 K327 S328 S352G320-Q324 PolarHBondContact O-N 2.94Å; G320-Q324 PolarHBondContact O-NE2 3.29Å; L321-Q324 WeakPolarHBondContact O-CB 3.21Å; L321-Q324 PolarHBondContact O-N 3.46Å; L321-Q324 VanDerWaalsContact O-N 3.13Å; L322-Q324 VanDerWaalsContact C-N 3.34Å; L322-Q324 PolarHBondContact O-N 2.92Å; Q324-Q326 VanDerWaalsContact C-N 3.3Å; Q324-Q326 PolarHBondContact O-N 2.94Å; Q324-K327 PolarHBondContact O-N 3.15Å; Q324-S328 PolarHBondContact O-N 3.27Å; Q324-S352 PolarHBondContact NE2-O 2.77Å; Q324-S352 VanDerWaalsContact NE2-O 3.11Å
325I87.1Confident86.5Confident17 Ų1762 Ų629%0.08730%0.295CS..Hα-helixtrans-61.3-39.6176.1-67.2162.4000110.9I309 L321 L322 K327 S328 R332 M335I309-I325 HydrophobicContact CD1-CD1 3.59Å; L321-I325 HydrophobicContact CD1-CD1 4.13Å; L321-I325 HydrophobicContact CD1-CG1 4.29Å; L321-I325 HydrophobicContact CG-CD1 3.82Å; L321-I325 HydrophobicContact CG-CG1 4.45Å; L321-I325 WeakPolarHBondContact O-CG1 3.3Å; L321-I325 PolarHBondContact O-N 2.75Å; L322-I325 HydrophobicContact CD2-CD1 4.5Å; L322-I325 PolarHBondContact O-N 3.19Å; I325-K327 VanDerWaalsContact C-N 3.35Å; I325-K327 PolarHBondContact O-N 2.63Å; I325-S328 PolarHBondContact O-N 3.27Å; I325-S328 VanDerWaalsContact O-O 3.08Å; I325-R332 HydrophobicContact CG2-CB 4.21Å; I325-R332 HydrophobicContact CG2-CG 4.49Å; I325-M335 HydrophobicContact CD1-CG 3.79Å; I325-M335 HydrophobicContact CD1-SD 3.76Å; I325-M335 HydrophobicContact CG1-CG 4.04Å; I325-M335 HydrophobicContact CG1-SD 4.33Å; I325-M335 HydrophobicContact CG2-CG 3.96Å
326Q85.6Confident86.4Confident114 Ų11457.9 Ų57.953%0.53328%0.277SS..Hα-helixtrans-63.6-39.3177.1-76.5-179.6200112.4L322 L323 Q324 R332L322-Q326 WeakPolarHBondContact O-CG 3.33Å; L322-Q326 PolarHBondContact O-N 3.17Å; L323-Q326 PolarHBondContact O-N 2.7Å; Q324-Q326 VanDerWaalsContact C-N 3.3Å; Q324-Q326 PolarHBondContact O-N 2.94Å; Q326-R332 PolarHBondContact O-NH2 3.41Å
327K84Confident86.3Confident175 Ų17551.5 Ų51.576%0.76125%0.248SC*.Hα-helixtrans-71.8-27.6-179.9-70175.1-174.5178.80113.7L323 Q324 I325L323-K327 WeakPolarHBondContact O-CG 3.33Å; L323-K327 PolarHBondContact O-N 3.26Å; Q324-K327 PolarHBondContact O-N 3.15Å; I325-K327 VanDerWaalsContact C-N 3.35Å; I325-K327 PolarHBondContact O-N 2.63Å
328S80.6Confident86.4Confident26 Ų2650.6 Ų50.618%0.18225%0.245CC..  trans-112.7113.9-174.3175.30000112.6Q324 I325 C330 L331 R332Q324-S328 PolarHBondContact O-N 3.27Å; I325-S328 PolarHBondContact O-N 3.27Å; I325-S328 VanDerWaalsContact O-O 3.08Å; S328-C330 PolarHBondContact O-N 3.12Å; S328-C330 PolarHBondContact OG-N 3.29Å; S328-L331 PolarHBondContact O-N 3.49Å; S328-L331 PolarHBondContact OG-N 3.24Å; S328-R332 WeakPolarHBondContact O-CB 3.32Å; S328-R332 PolarHBondContact O-N 3.46Å
329R78.7Confident86.4Confident156 Ų15651.2 Ų51.259%0.58925%0.248SC*.Hα-helixtrans-58.3-36.8172.5-175.5-179.8174.9-165-4.4112N333 D593R329-N333 PolarHBondContact O-N 3.09Å; R329-D593 IonicContact CZ-OD2 3.76Å; R329-D593 IonicContact NE-OD2 2.79Å; R329-D593 IonicContact NH2-OD1 2.77Å; R329-D593 PolarHBondContact NH2-OD1 2.7Å; R329-D593 IonicContact NH2-OD2 3.04Å; R329-D593 PolarHBondContact NH2-OD2 3.28Å
330C78.5Confident86.3Confident48 Ų4848.1 Ų48.132%0.32423%0.233SC..Hα-helixtrans-66.1-49179.7-61.70000111.6S328 R332 N333 L334 H357S328-C330 PolarHBondContact O-N 3.12Å; S328-C330 PolarHBondContact OG-N 3.29Å; C330-R332 VanDerWaalsContact C-N 3.32Å; C330-R332 PolarHBondContact O-N 2.87Å; C330-N333 PolarHBondContact O-N 2.98Å; C330-N333 VanDerWaalsContact O-N 3.17Å; C330-L334 WeakPolarHBondContact O-CG 3.45Å; C330-L334 PolarHBondContact O-N 3.36Å; C330-H357 HydrophobicContact CB-CB 4.45Å
331L82.3Confident86.5Confident4 Ų447 Ų472%0.02122%0.222CC..Hα-helixtrans-60.8-44177.1-76174.7000110.9S328 N333 L334 M335 F354S328-L331 PolarHBondContact O-N 3.49Å; S328-L331 PolarHBondContact OG-N 3.24Å; L331-N333 VanDerWaalsContact C-N 3.29Å; L331-N333 PolarHBondContact O-N 2.9Å; L331-L334 HydrophobicContact CD2-CD1 4.41Å; L331-L334 WeakPolarHBondContact O-CA 3.31Å; L331-L334 WeakPolarHBondContact O-CB 3.35Å; L331-L334 PolarHBondContact O-N 3.05Å; L331-M335 WeakPolarHBondContact O-CG 3.4Å; L331-M335 PolarHBondContact O-N 2.95Å; L331-F354 HydrophobicContact CD2-CE2 3.79Å; L331-F354 HydrophobicContact CD2-CZ 4.18Å
332R84.4Confident86.6Confident93 Ų9347.2 Ų47.235%0.35122%0.223SC..Hα-helixtrans-56.6-41.3175.4-168.6-171.6-61-147.69.3112.8E302 I325 Q326 S328 C330 M335E302-R332 VanDerWaalsContact OE1-CD 3.26Å; E302-R332 WeakPolarHBondContact OE1-CD 3.4Å; E302-R332 IonicContact OE1-NH1 3.67Å; I325-R332 HydrophobicContact CG2-CB 4.21Å; I325-R332 HydrophobicContact CG2-CG 4.49Å; Q326-R332 PolarHBondContact O-NH2 3.41Å; S328-R332 WeakPolarHBondContact O-CB 3.32Å; S328-R332 PolarHBondContact O-N 3.46Å; C330-R332 VanDerWaalsContact C-N 3.32Å; C330-R332 PolarHBondContact O-N 2.87Å; R332-M335 PolarHBondContact O-N 3.42Å
333N81.8Confident86.5Confident55 Ų5546.7 Ų46.729%0.29422%0.221SC..Hα-helixtrans-67.2-36.4174.7-81.5-14.6000112.5R329 C330 L331 M335 K336 D593R329-N333 PolarHBondContact O-N 3.09Å; C330-N333 PolarHBondContact O-N 2.98Å; C330-N333 VanDerWaalsContact O-N 3.17Å; L331-N333 VanDerWaalsContact C-N 3.29Å; L331-N333 PolarHBondContact O-N 2.9Å; N333-M335 VanDerWaalsContact C-N 3.31Å; N333-M335 PolarHBondContact O-N 3.32Å; N333-K336 WeakPolarHBondContact O-CB 3.48Å; N333-K336 WeakPolarHBondContact O-CG 3.45Å; N333-K336 PolarHBondContact O-N 3.34Å; N333-D593 PolarHBondContact ND2-OD2 3.04Å
334L85.3Confident86.6Confident20 Ų2042.2 Ų42.211%0.10520%0.197CC..Hα-helixtrans-66.1-32.1174.2-66.3172.6000112.3C330 L331 K336 T337 F340 Q359 L362C330-L334 WeakPolarHBondContact O-CG 3.45Å; C330-L334 PolarHBondContact O-N 3.36Å; L331-L334 HydrophobicContact CD2-CD1 4.41Å; L331-L334 WeakPolarHBondContact O-CA 3.31Å; L331-L334 WeakPolarHBondContact O-CB 3.35Å; L331-L334 PolarHBondContact O-N 3.05Å; L334-K336 PolarHBondContact O-N 3Å; L334-K336 VanDerWaalsContact O-N 3.12Å; L334-T337 PolarHBondContact O-N 3.43Å; L334-T337 VanDerWaalsContact O-N 3.15Å; L334-F340 HydrophobicContact CB-CB 4.45Å; L334-F340 HydrophobicContact CB-CD2 4.32Å; L334-F340 HydrophobicContact CD2-CD2 4.04Å; L334-F340 HydrophobicContact CD2-CE2 4.22Å; L334-F340 WeakPolarHBondContact O-CB 3.48Å; L334-F340 WeakPolarHBondContact O-CD2 3.36Å; L334-Q359 HydrophobicContact CD2-CB 4.11Å; L334-L362 HydrophobicContact CD1-CB 4.47Å; L334-L362 HydrophobicContact CD1-CD2 4.43Å
335M91.1Very high86.8Confident10 Ų1041.2 Ų41.25%0.04919%0.192CC..THydrogen-bonded Turntrans-67.1-9.6178.7-63-55.287.800114.2A305 I325 L331 R332 N333 T337 F340 V341 T344A305-M335 HydrophobicContact CB-CB 4.35Å; I325-M335 HydrophobicContact CD1-CG 3.79Å; I325-M335 HydrophobicContact CD1-SD 3.76Å; I325-M335 HydrophobicContact CG1-CG 4.04Å; I325-M335 HydrophobicContact CG1-SD 4.33Å; I325-M335 HydrophobicContact CG2-CG 3.96Å; L331-M335 WeakPolarHBondContact O-CG 3.4Å; L331-M335 PolarHBondContact O-N 2.95Å; R332-M335 PolarHBondContact O-N 3.42Å; N333-M335 VanDerWaalsContact C-N 3.31Å; N333-M335 PolarHBondContact O-N 3.32Å; M335-T337 PolarHBondContact O-N 3.08Å; M335-T337 VanDerWaalsContact O-N 3.16Å; M335-F340 HydrophobicContact CE-CB 4.22Å; M335-V341 HydrophobicContact CB-CG2 4.18Å; M335-V341 HydrophobicContact CE-CG2 4.43Å; M335-V341 WeakPolarHBondContact O-CG2 3.36Å; M335-V341 HydrophobicContact SD-CB 4.19Å; M335-V341 HydrophobicContact SD-CG1 4.4Å; M335-V341 HydrophobicContact SD-CG2 3.76Å; M335-T344 HydrophobicContact CE-CG2 3.52Å; M335-T344 WeakPolarHBondContact CE-OG1 3.45Å; M335-T344 HydrophobicContact SD-CG2 4.44Å
336K87.6Confident86.9Confident74 Ų7441 Ų4132%0.32219%0.193SC..THydrogen-bonded Turntrans-66.7-8.3170.5-64.1176.5171.9-171.20113.3K173 D299 M300 N333 L334K173-K336 PolarHBondContact NZ-O 3.2Å; D299-K336 HydrophobicContact CB-CB 3.96Å; D299-K336 HydrophobicContact CB-CD 4.28Å; D299-K336 HydrophobicContact CB-CG 4.2Å; D299-K336 IonicContact OD2-NZ 3.22Å; M300-K336 PolarHBondContact N-O 3.14Å; N333-K336 WeakPolarHBondContact O-CB 3.48Å; N333-K336 WeakPolarHBondContact O-CG 3.45Å; N333-K336 PolarHBondContact O-N 3.34Å; L334-K336 PolarHBondContact O-N 3Å; L334-K336 VanDerWaalsContact O-N 3.12Å
337T87.9Confident87.1Confident6 Ų635.6 Ų35.64%0.03717%0.168CC..SBendtrans-119.6116178.1-61.90000109.7K173 L334 M335 L339 F340 V341K173-T337 WeakPolarHBondContact CE-OG1 3.44Å; K173-T337 PolarHBondContact NZ-OG1 3.28Å; L334-T337 PolarHBondContact O-N 3.43Å; L334-T337 VanDerWaalsContact O-N 3.15Å; M335-T337 PolarHBondContact O-N 3.08Å; M335-T337 VanDerWaalsContact O-N 3.16Å; T337-L339 VanDerWaalsContact C-N 3.28Å; T337-L339 HydrophobicContact CG2-CB 4.33Å; T337-L339 PolarHBondContact O-N 3.39Å; T337-L339 VanDerWaalsContact O-N 3.16Å; T337-F340 HydrophobicContact CG2-CD2 3.97Å; T337-F340 HydrophobicContact CG2-CE2 4.13Å; T337-F340 HydrophobicContact CG2-CG 4.37Å; T337-F340 PolarHBondContact O-N 3.45Å; T337-V341 PolarHBondContact O-N 2.91Å
338P91.8Very high87.3Confident31 Ų3127.7 Ų27.720%0.20113%0.134CC..Hα-helixtrans-53.5-38.2-176.5-27.833000114.6G172 M300 F340 V341 V342G172-P338 WeakPolarHBondContact O-CD 3.34Å; M300-P338 HydrophobicContact CB-CG 4.38Å; M300-P338 HydrophobicContact CG-CG 4.48Å; M300-P338 HydrophobicContact SD-CB 4.13Å; M300-P338 HydrophobicContact SD-CG 3.79Å; P338-F340 VanDerWaalsContact C-N 3.28Å; P338-F340 PolarHBondContact O-N 2.82Å; P338-V341 WeakPolarHBondContact O-CB 3.48Å; P338-V341 PolarHBondContact O-N 3.38Å; P338-V341 VanDerWaalsContact O-N 3.17Å; P338-V342 WeakPolarHBondContact O-CG2 3.29Å; P338-V342 PolarHBondContact O-N 3.43Å
339L89.9Confident87.6Confident16 Ų1629.5 Ų29.58%0.08414%0.14CC..Hα-helixtrans-57.5-41.5176.4178.362.9000112.3L120 G172 T337 V342 I343 H443L120-L339 HydrophobicContact CD2-CD1 4.41Å; G172-L339 PolarHBondContact O-N 3.31Å; T337-L339 VanDerWaalsContact C-N 3.28Å; T337-L339 HydrophobicContact CG2-CB 4.33Å; T337-L339 PolarHBondContact O-N 3.39Å; T337-L339 VanDerWaalsContact O-N 3.16Å; L339-V342 PolarHBondContact O-N 3.42Å; L339-I343 HydrophobicContact CD1-CD1 4.23Å; L339-I343 HydrophobicContact CG-CD1 4.01Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 2.6Å; L339-H443 WeakPolarHBondContact CD2-ND1 3.39Å
340F90.5Very high87.8Confident14 Ų1423.6 Ų23.66%0.06113%0.128CC..Hα-helixtrans-71.2-33.4179-61.3-30.8000111.8L334 M335 T337 P338 V342 I343 T344 Q359 L362 F363L334-F340 HydrophobicContact CB-CB 4.45Å; L334-F340 HydrophobicContact CB-CD2 4.32Å; L334-F340 HydrophobicContact CD2-CD2 4.04Å; L334-F340 HydrophobicContact CD2-CE2 4.22Å; L334-F340 WeakPolarHBondContact O-CB 3.48Å; L334-F340 WeakPolarHBondContact O-CD2 3.36Å; M335-F340 HydrophobicContact CE-CB 4.22Å; T337-F340 HydrophobicContact CG2-CD2 3.97Å; T337-F340 HydrophobicContact CG2-CE2 4.13Å; T337-F340 HydrophobicContact CG2-CG 4.37Å; T337-F340 PolarHBondContact O-N 3.45Å; P338-F340 VanDerWaalsContact C-N 3.28Å; P338-F340 PolarHBondContact O-N 2.82Å; F340-V342 VanDerWaalsContact C-N 3.33Å; F340-V342 PolarHBondContact O-N 3.33Å; F340-I343 HydrophobicContact CD1-CD1 4.27Å; F340-I343 PolarHBondContact O-N 2.91Å; F340-T344 WeakPolarHBondContact O-CG2 3.43Å; F340-T344 PolarHBondContact O-N 3.18Å; F340-T344 PolarHBondContact O-OG1 2.63Å; F340-T344 VanDerWaalsContact O-OG1 3.04Å; F340-Q359 HydrophobicContact CE1-CB 4.15Å; F340-Q359 HydrophobicContact CE2-CB 4Å; F340-Q359 HydrophobicContact CZ-CB 3.61Å; F340-L362 HydrophobicContact CB-CD2 3.72Å; F340-L362 HydrophobicContact CD1-CD2 3.85Å; F340-L362 HydrophobicContact CG-CD2 3.92Å; F340-F363 AromaticContact CE1-CE2 3.72Å; F340-F363 HydrophobicContact CE1-CE2 3.72Å; F340-F363 AromaticContact CE1-CZ 3.98Å; F340-F363 HydrophobicContact CE1-CZ 3.98Å
341V92.2Very high88Confident0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-57.2-49.7170.6-177.20000110.1M300 A305 L308 I309 M335 T337 P338 I343 T344 C345M300-V341 HydrophobicContact SD-CG2 4.05Å; A305-V341 HydrophobicContact CB-CG2 4.15Å; L308-V341 HydrophobicContact CD2-CB 4.15Å; L308-V341 HydrophobicContact CD2-CG1 3.89Å; L308-V341 HydrophobicContact CG-CG1 4.18Å; I309-V341 HydrophobicContact CD1-CG1 4.11Å; I309-V341 HydrophobicContact CG1-CG1 3.57Å; M335-V341 HydrophobicContact CB-CG2 4.18Å; M335-V341 HydrophobicContact CE-CG2 4.43Å; M335-V341 WeakPolarHBondContact O-CG2 3.36Å; M335-V341 HydrophobicContact SD-CB 4.19Å; M335-V341 HydrophobicContact SD-CG1 4.4Å; M335-V341 HydrophobicContact SD-CG2 3.76Å; T337-V341 PolarHBondContact O-N 2.91Å; P338-V341 WeakPolarHBondContact O-CB 3.48Å; P338-V341 PolarHBondContact O-N 3.38Å; P338-V341 VanDerWaalsContact O-N 3.17Å; V341-I343 PolarHBondContact O-N 3.24Å; V341-T344 WeakPolarHBondContact CA-OG1 3.48Å; V341-T344 PolarHBondContact O-N 2.93Å; V341-T344 PolarHBondContact O-OG1 2.92Å; V341-C345 PolarHBondContact O-N 3.32Å; V341-C345 PolarHBondContact O-SG 3.45Å
342V91.5Very high87.6Confident6 Ų629 Ų294%0.03616%0.159CC..Hα-helixtrans-63.2-41-179.9179.10000111.9P119 L120 I126 L308 P338 L339 F340 C345 A346P119-V342 HydrophobicContact CB-CG1 4.09Å; P119-V342 HydrophobicContact CG-CG1 4.34Å; L120-V342 HydrophobicContact CD1-CG1 3.91Å; L120-V342 HydrophobicContact CD2-CG1 4.23Å; L120-V342 HydrophobicContact CG-CG1 3.84Å; I126-V342 HydrophobicContact CD1-CG1 4.16Å; I126-V342 HydrophobicContact CG2-CG1 4.06Å; L308-V342 HydrophobicContact CD2-CG2 4.27Å; P338-V342 WeakPolarHBondContact O-CG2 3.29Å; P338-V342 PolarHBondContact O-N 3.43Å; L339-V342 PolarHBondContact O-N 3.42Å; F340-V342 VanDerWaalsContact C-N 3.33Å; F340-V342 PolarHBondContact O-N 3.33Å; V342-C345 WeakPolarHBondContact O-CB 3.41Å; V342-C345 PolarHBondContact O-N 3.44Å; V342-A346 PolarHBondContact O-N 3.03Å
343I90.2Very high87.4Confident0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-63.4-44.3175.2-68.2166.3000110.9L120 L339 F340 V341 C345 A346 I347 L362 F363 F366L120-I343 HydrophobicContact CD2-CG1 3.75Å; L339-I343 HydrophobicContact CD1-CD1 4.23Å; L339-I343 HydrophobicContact CG-CD1 4.01Å; L339-I343 WeakPolarHBondContact O-CG1 3.44Å; L339-I343 PolarHBondContact O-N 2.6Å; F340-I343 HydrophobicContact CD1-CD1 4.27Å; F340-I343 PolarHBondContact O-N 2.91Å; V341-I343 PolarHBondContact O-N 3.24Å; I343-C345 VanDerWaalsContact C-N 3.29Å; I343-C345 PolarHBondContact O-N 3.18Å; I343-A346 WeakPolarHBondContact O-CB 3.37Å; I343-A346 PolarHBondContact O-N 2.97Å; I343-A346 VanDerWaalsContact O-N 3.13Å; I343-I347 HydrophobicContact CG2-CD1 3.95Å; I343-I347 HydrophobicContact CG2-CG1 4.39Å; I343-I347 WeakPolarHBondContact O-CG1 3.33Å; I343-I347 PolarHBondContact O-N 3.02Å; I343-L362 HydrophobicContact CB-CD2 4.49Å; I343-L362 HydrophobicContact CG2-CD1 4.27Å; I343-L362 HydrophobicContact CG2-CD2 4.23Å; I343-L362 HydrophobicContact CG2-CG 3.95Å; I343-F363 HydrophobicContact CD1-CD1 3.97Å; I343-F363 HydrophobicContact CD1-CE1 3.31Å; I343-F363 HydrophobicContact CD1-CZ 3.83Å; I343-F366 HydrophobicContact CG2-CB 3.81Å; I343-F366 HydrophobicContact CG2-CD2 4.09Å; I343-F366 HydrophobicContact CG2-CG 3.89Å
344T90.9Very high87.4Confident0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-63.8-34.4176.449.80000112.7M335 F340 V341 I347 Q348 F354 L362M335-T344 HydrophobicContact CE-CG2 3.52Å; M335-T344 WeakPolarHBondContact CE-OG1 3.45Å; M335-T344 HydrophobicContact SD-CG2 4.44Å; F340-T344 WeakPolarHBondContact O-CG2 3.43Å; F340-T344 PolarHBondContact O-N 3.18Å; F340-T344 PolarHBondContact O-OG1 2.63Å; F340-T344 VanDerWaalsContact O-OG1 3.04Å; V341-T344 WeakPolarHBondContact CA-OG1 3.48Å; V341-T344 PolarHBondContact O-N 2.93Å; V341-T344 PolarHBondContact O-OG1 2.92Å; T344-I347 PolarHBondContact O-N 3.35Å; T344-Q348 WeakPolarHBondContact O-CB 3.4Å; T344-Q348 PolarHBondContact O-N 2.97Å; T344-F354 HydrophobicContact CG2-CE2 4.1Å; T344-F354 HydrophobicContact CG2-CZ 3.69Å; T344-L362 HydrophobicContact CG2-CD1 3.51Å; T344-L362 HydrophobicContact CG2-CD2 4.22Å
345C91Very high87Confident0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-61.3-46.4171.2-67.90000111I126 V312 L313 V341 V342 I343 I347 Q348 M349I126-C345 HydrophobicContact CD1-CB 4.28Å; V312-C345 HydrophobicContact CG1-CB 3.99Å; L313-C345 HydrophobicContact CD1-CB 4.15Å; L313-C345 HydrophobicContact CD2-CB 3.92Å; L313-C345 HydrophobicContact CG-CB 3.97Å; V341-C345 PolarHBondContact O-N 3.32Å; V341-C345 PolarHBondContact O-SG 3.45Å; V342-C345 WeakPolarHBondContact O-CB 3.41Å; V342-C345 PolarHBondContact O-N 3.44Å; I343-C345 VanDerWaalsContact C-N 3.29Å; I343-C345 PolarHBondContact O-N 3.18Å; C345-I347 VanDerWaalsContact C-N 3.33Å; C345-I347 PolarHBondContact O-N 3.15Å; C345-Q348 PolarHBondContact O-N 2.98Å; C345-M349 WeakPolarHBondContact O-CG 3.42Å; C345-M349 PolarHBondContact O-N 3.41Å
346A89.2Confident86.5Confident13 Ų1333 Ų3311%0.10718%0.18CC..Hα-helixtrans-63.3-37.4177.600000112.8L120 I124 I126 V342 I343 M349 F366L120-A346 HydrophobicContact CD1-CB 3.51Å; I124-A346 HydrophobicContact CG2-CB 4.29Å; I126-A346 HydrophobicContact CD1-CB 3.88Å; V342-A346 PolarHBondContact O-N 3.03Å; I343-A346 WeakPolarHBondContact O-CB 3.37Å; I343-A346 PolarHBondContact O-N 2.97Å; I343-A346 VanDerWaalsContact O-N 3.13Å; A346-M349 WeakPolarHBondContact O-CB 3.16Å; A346-M349 PolarHBondContact O-N 3.11Å; A346-F366 HydrophobicContact CB-CD2 4.32Å; A346-F366 HydrophobicContact CB-CE2 3.84Å
347I89.1Confident86.1Confident0 Ų034.5 Ų34.50%019%0.188CC..Hα-helixtrans-63.7-46.2173.5-66.8170.5000110.3I343 T344 C345 M349 G350 E351 F354 L362 T365 F366 L369I343-I347 HydrophobicContact CG2-CD1 3.95Å; I343-I347 HydrophobicContact CG2-CG1 4.39Å; I343-I347 WeakPolarHBondContact O-CG1 3.33Å; I343-I347 PolarHBondContact O-N 3.02Å; T344-I347 PolarHBondContact O-N 3.35Å; C345-I347 VanDerWaalsContact C-N 3.33Å; C345-I347 PolarHBondContact O-N 3.15Å; I347-M349 PolarHBondContact O-N 2.99Å; I347-G350 CarbonylContact O-C 3.58Å; I347-G350 WeakPolarHBondContact O-CA 3.38Å; I347-G350 PolarHBondContact O-N 3.44Å; I347-E351 PolarHBondContact O-N 3.17Å; I347-F354 HydrophobicContact CB-CE1 4.48Å; I347-F354 HydrophobicContact CD1-CE2 4.39Å; I347-F354 HydrophobicContact CG2-CB 4.07Å; I347-F354 HydrophobicContact CG2-CD1 3.49Å; I347-F354 VanDerWaalsContact CG2-CD1 3.49Å; I347-F354 HydrophobicContact CG2-CD2 4Å; I347-F354 HydrophobicContact CG2-CE1 3.87Å; I347-F354 HydrophobicContact CG2-CE2 4.34Å; I347-F354 HydrophobicContact CG2-CG 3.58Å; I347-F354 HydrophobicContact CG2-CZ 4.29Å; I347-L362 HydrophobicContact CD1-CD1 3.45Å; I347-L362 VanDerWaalsContact CD1-CD1 3.45Å; I347-L362 HydrophobicContact CD1-CG 4.33Å; I347-T365 HydrophobicContact CD1-CG2 4.16Å; I347-T365 HydrophobicContact CG2-CG2 4.12Å; I347-F366 HydrophobicContact CD1-CB 4.15Å; I347-F366 HydrophobicContact CG1-CB 4.18Å; I347-F366 HydrophobicContact CG1-CD2 4.27Å; I347-L369 HydrophobicContact CB-CD1 4.03Å; I347-L369 HydrophobicContact CG1-CD1 3.9Å; I347-L369 HydrophobicContact CG2-CD1 3.74Å
348Q89.4Confident85.9Confident9 Ų934.4 Ų34.44%0.04219%0.187CC..Hα-helixtrans-62.8-28.9178.4-170.468.334.800112.9L313 L317 L321 T344 C345 G350 E351 S352L313-Q348 HydrophobicContact CD1-CB 4.25Å; L313-Q348 HydrophobicContact CD1-CG 4.24Å; L317-Q348 HydrophobicContact CB-CG 4.12Å; L317-Q348 HydrophobicContact CD2-CG 4.4Å; L321-Q348 HydrophobicContact CB-CB 4.44Å; L321-Q348 HydrophobicContact CB-CG 3.98Å; L321-Q348 HydrophobicContact CD2-CB 4.31Å; T344-Q348 WeakPolarHBondContact O-CB 3.4Å; T344-Q348 PolarHBondContact O-N 2.97Å; C345-Q348 PolarHBondContact O-N 2.98Å; Q348-G350 PolarHBondContact O-N 2.91Å; Q348-E351 WeakPolarHBondContact CA-O 3.39Å; Q348-S352 PolarHBondContact NE2-O 2.89Å; Q348-S352 VanDerWaalsContact NE2-O 3.14Å
349M86.2Confident85.7Confident64 Ų6433.7 Ų33.732%0.31518%0.181SC..THydrogen-bonded Turntrans-69.8-12.6170.9-66.3176179.100113I126 V312 L313 C345 A346 I347 K373I126-M349 HydrophobicContact CD1-CE 3.98Å; I126-M349 HydrophobicContact CD1-SD 4.26Å; I126-M349 HydrophobicContact CG1-CE 3.57Å; I126-M349 HydrophobicContact CG1-SD 4.11Å; V312-M349 HydrophobicContact CG1-CE 4.27Å; L313-M349 HydrophobicContact CD2-CE 3.47Å; L313-M349 VanDerWaalsContact CD2-CE 3.47Å; L313-M349 HydrophobicContact CD2-CG 3.67Å; L313-M349 HydrophobicContact CD2-SD 4.37Å; C345-M349 WeakPolarHBondContact O-CG 3.42Å; C345-M349 PolarHBondContact O-N 3.41Å; A346-M349 WeakPolarHBondContact O-CB 3.16Å; A346-M349 PolarHBondContact O-N 3.11Å; I347-M349 PolarHBondContact O-N 2.99Å; M349-K373 PolarHBondContact O-NZ 2.82Å
350G82.9Confident85.7Confident32 Ų3233 Ų3333%0.3318%0.178SC..THydrogen-bonded Turntrans-111.7-34.2179.400000116I347 Q348I347-G350 CarbonylContact O-C 3.58Å; I347-G350 WeakPolarHBondContact O-CA 3.38Å; I347-G350 PolarHBondContact O-N 3.44Å; Q348-G350 PolarHBondContact O-N 2.91Å
351E82.1Confident85.7Confident62 Ų6234.4 Ų34.429%0.2919%0.187SC..  trans-130.9143-178.7-72.8176.6177.500109.9I347 Q348 L369I347-E351 PolarHBondContact O-N 3.17Å; Q348-E351 WeakPolarHBondContact CA-O 3.39Å; E351-L369 HydrophobicContact CG-CD1 4.38Å; E351-L369 HydrophobicContact CG-CD2 3.81Å
352S75.6Confident85.6Confident103 Ų10334.4 Ų34.472%0.7219%0.187SC*.SBendtrans-73.9-30.2179.152.30000113Q324 Q348Q324-S352 PolarHBondContact NE2-O 2.77Å; Q324-S352 VanDerWaalsContact NE2-O 3.11Å; Q348-S352 PolarHBondContact NE2-O 2.89Å; Q348-S352 VanDerWaalsContact NE2-O 3.14Å
353E79.4Confident85.6Confident117 Ų11734.1 Ų34.155%0.54719%0.185SC..  trans-147.7135.5-178-174.1171.1-149.300110.2
354F81.2Confident85.6Confident10 Ų1037.6 Ų37.64%0.04420%0.201CC..  trans-143.9156.3176.770.5-79.2000111.7L321 L331 T344 I347 L362 T365L321-F354 HydrophobicContact CD1-CE1 3.88Å; L321-F354 HydrophobicContact CD1-CZ 4.12Å; L331-F354 HydrophobicContact CD2-CE2 3.79Å; L331-F354 HydrophobicContact CD2-CZ 4.18Å; T344-F354 HydrophobicContact CG2-CE2 4.1Å; T344-F354 HydrophobicContact CG2-CZ 3.69Å; I347-F354 HydrophobicContact CB-CE1 4.48Å; I347-F354 HydrophobicContact CD1-CE2 4.39Å; I347-F354 HydrophobicContact CG2-CB 4.07Å; I347-F354 HydrophobicContact CG2-CD1 3.49Å; I347-F354 VanDerWaalsContact CG2-CD1 3.49Å; I347-F354 HydrophobicContact CG2-CD2 4Å; I347-F354 HydrophobicContact CG2-CE1 3.87Å; I347-F354 HydrophobicContact CG2-CE2 4.34Å; I347-F354 HydrophobicContact CG2-CG 3.58Å; I347-F354 HydrophobicContact CG2-CZ 4.29Å; F354-L362 HydrophobicContact CE2-CD1 4Å; F354-T365 HydrophobicContact CB-CG2 4.37Å
355H77.8Confident85.6Confident136 Ų13638.8 Ų38.863%0.6321%0.209SC*.  trans-122.7107.7-178.4-62.483.1000109.7
356S79.7Confident85.5Confident1 Ų139 Ų391%0.00721%0.21CC..  trans-126.6130.1174.8-640000110.6
357H79.9Confident85.5Confident105 Ų10538.9 Ų38.949%0.48621%0.207SC..  trans-109.3-24.8-176.3-58.6-60000112.4C330 T361C330-H357 HydrophobicContact CB-CB 4.45Å; H357-T361 PolarHBondContact N-OG1 2.78Å
358T84.5Confident85.4Confident4 Ų441.1 Ų41.13%0.02522%0.218CC..SBendtrans-132.2163.4178.968.80000111.3T360 T361 L362 E564 T566T358-T360 PolarHBondContact O-N 3.37Å; T358-T360 PolarHBondContact OG1-N 3.49Å; T358-T361 PolarHBondContact N-OG1 2.86Å; T358-T361 PolarHBondContact O-N 2.73Å; T358-T361 PolarHBondContact O-OG1 3.17Å; T358-T361 WeakPolarHBondContact OG1-CG2 3.48Å; T358-T361 PolarHBondContact OG1-N 2.8Å; T358-T361 PolarHBondContact OG1-OG1 3.02Å; T358-L362 PolarHBondContact O-N 2.87Å; T358-E564 WeakPolarHBondContact CB-OE2 3.46Å; T358-T566 HydrophobicContact CG2-CG2 3.78Å
359Q87.1Confident85.3Confident15 Ų1541.3 Ų41.37%0.0722%0.22CC..Hα-helixtrans-60.2-32.6173.547162.712.100111.7L334 F340 L362 F363 R492 Y493 E564L334-Q359 HydrophobicContact CD2-CB 4.11Å; F340-Q359 HydrophobicContact CE1-CB 4.15Å; F340-Q359 HydrophobicContact CE2-CB 4Å; F340-Q359 HydrophobicContact CZ-CB 3.61Å; Q359-L362 PolarHBondContact O-N 3.44Å; Q359-F363 WeakPolarHBondContact O-CD2 3.49Å; Q359-F363 PolarHBondContact O-N 2.85Å; Q359-R492 VanDerWaalsContact NE2-CZ 3.3Å; Q359-Y493 HydrophobicContact CG-CE1 4.2Å; Q359-Y493 PolarHBondContact OE1-OH 3.45Å; Q359-E564 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E564 WeakPolarHBondContact CG-OE2 3.33Å
360T89.4Confident85.2Confident3 Ų339 Ų392%0.01821%0.208CC..Hα-helixtrans-65.8-44.7176.5-51.80000111.4T358 L362 F363 H364 Y449 Y493 E564T358-T360 PolarHBondContact O-N 3.37Å; T358-T360 PolarHBondContact OG1-N 3.49Å; T360-L362 VanDerWaalsContact C-N 3.29Å; T360-L362 PolarHBondContact O-N 2.8Å; T360-F363 PolarHBondContact O-N 2.86Å; T360-H364 WeakPolarHBondContact O-CB 3.44Å; T360-H364 PolarHBondContact O-N 2.8Å; T360-Y449 HydrophobicContact CG2-CD2 4.33Å; T360-Y449 HydrophobicContact CG2-CE2 4.09Å; T360-Y493 HydrophobicContact CG2-CD1 4.38Å; T360-Y493 WeakPolarHBondContact OG1-CD1 3.36Å; T360-E564 WeakPolarHBondContact CB-OE2 3.36Å; T360-E564 PolarHBondContact N-OE2 3.04Å; T360-E564 PolarHBondContact OG1-OE2 3.47Å
361T90.4Very high85.2Confident43 Ų4338.8 Ų38.826%0.26420%0.2SC..Hα-helixtrans-65.3-32.8176.1580000112.8H357 T358 H364 T365H357-T361 PolarHBondContact N-OG1 2.78Å; T358-T361 PolarHBondContact N-OG1 2.86Å; T358-T361 PolarHBondContact O-N 2.73Å; T358-T361 PolarHBondContact O-OG1 3.17Å; T358-T361 WeakPolarHBondContact OG1-CG2 3.48Å; T358-T361 PolarHBondContact OG1-N 2.8Å; T358-T361 PolarHBondContact OG1-OG1 3.02Å; T361-H364 PolarHBondContact O-N 3.01Å; T361-T365 PolarHBondContact O-N 3.1Å; T361-T365 PolarHBondContact O-OG1 2.82Å
362L90.6Very high85.2Confident0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-66.2-49175.7-177.868.4000110.9L334 F340 I343 T344 I347 F354 T358 Q359 T360 H364 T365 F366L334-L362 HydrophobicContact CD1-CB 4.47Å; L334-L362 HydrophobicContact CD1-CD2 4.43Å; F340-L362 HydrophobicContact CB-CD2 3.72Å; F340-L362 HydrophobicContact CD1-CD2 3.85Å; F340-L362 HydrophobicContact CG-CD2 3.92Å; I343-L362 HydrophobicContact CB-CD2 4.49Å; I343-L362 HydrophobicContact CG2-CD1 4.27Å; I343-L362 HydrophobicContact CG2-CD2 4.23Å; I343-L362 HydrophobicContact CG2-CG 3.95Å; T344-L362 HydrophobicContact CG2-CD1 3.51Å; T344-L362 HydrophobicContact CG2-CD2 4.22Å; I347-L362 HydrophobicContact CD1-CD1 3.45Å; I347-L362 VanDerWaalsContact CD1-CD1 3.45Å; I347-L362 HydrophobicContact CD1-CG 4.33Å; F354-L362 HydrophobicContact CE2-CD1 4Å; T358-L362 PolarHBondContact O-N 2.87Å; Q359-L362 PolarHBondContact O-N 3.44Å; T360-L362 VanDerWaalsContact C-N 3.29Å; T360-L362 PolarHBondContact O-N 2.8Å; L362-H364 VanDerWaalsContact C-N 3.3Å; L362-H364 PolarHBondContact O-N 3Å; L362-T365 PolarHBondContact O-N 3.36Å; L362-F366 WeakPolarHBondContact O-CB 3.23Å; L362-F366 PolarHBondContact O-N 3.17Å
363F91.6Very high85.2Confident0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-63.6-36.3174.9-82.6-58.2000112.6F340 I343 Q359 T360 F366 Y367 F446 Y449 Y493F340-F363 AromaticContact CE1-CE2 3.72Å; F340-F363 HydrophobicContact CE1-CE2 3.72Å; F340-F363 AromaticContact CE1-CZ 3.98Å; F340-F363 HydrophobicContact CE1-CZ 3.98Å; I343-F363 HydrophobicContact CD1-CD1 3.97Å; I343-F363 HydrophobicContact CD1-CE1 3.31Å; I343-F363 HydrophobicContact CD1-CZ 3.83Å; Q359-F363 WeakPolarHBondContact O-CD2 3.49Å; Q359-F363 PolarHBondContact O-N 2.85Å; T360-F363 PolarHBondContact O-N 2.86Å; F363-F366 PolarHBondContact O-N 2.61Å; F363-Y367 WeakPolarHBondContact O-CB 3.43Å; F363-Y367 PolarHBondContact O-N 3.41Å; F363-F446 AromaticContact CD1-CD2 3.73Å; F363-F446 HydrophobicContact CD1-CD2 3.73Å; F363-F446 HydrophobicContact CD1-CE2 4.39Å; F363-F446 HydrophobicContact CE1-CB 4.3Å; F363-F446 AromaticContact CE1-CD2 3.94Å; F363-F446 HydrophobicContact CE1-CD2 3.94Å; F363-Y449 HydrophobicContact CB-CD1 3.79Å; F363-Y449 HydrophobicContact CB-CD2 3.44Å; F363-Y449 VanDerWaalsContact CB-CD2 3.44Å; F363-Y449 HydrophobicContact CB-CE1 4.05Å; F363-Y449 HydrophobicContact CB-CE2 3.71Å; F363-Y449 HydrophobicContact CB-CG 3.5Å; F363-Y449 HydrophobicContact CD2-CD2 4.41Å; F363-Y449 HydrophobicContact CD2-CG 4.29Å; F363-Y449 HydrophobicContact CG-CD1 4.37Å; F363-Y449 HydrophobicContact CG-CD2 4.2Å; F363-Y449 AromaticContact CG-CG 3.94Å; F363-Y449 HydrophobicContact CG-CG 3.94Å; F363-Y493 AromaticContact CD2-CE1 3.77Å; F363-Y493 HydrophobicContact CD2-CE1 3.77Å; F363-Y493 AromaticContact CE2-CE1 4Å; F363-Y493 HydrophobicContact CE2-CE1 4Å; F363-Y493 AromaticContact CE2-CZ 3.91Å; F363-Y493 WeakPolarHBondContact CE2-OH 3.42Å
364H90.7Very high84.9Confident72 Ų7236.9 Ų36.933%0.33318%0.178SC..Hα-helixtrans-60.5-48.9173.9-174.9-74.7000112.1T360 T361 L362 F366 Y367 D368 Y449 R453T360-H364 WeakPolarHBondContact O-CB 3.44Å; T360-H364 PolarHBondContact O-N 2.8Å; T361-H364 PolarHBondContact O-N 3.01Å; L362-H364 VanDerWaalsContact C-N 3.3Å; L362-H364 PolarHBondContact O-N 3Å; H364-F366 VanDerWaalsContact C-N 3.32Å; H364-F366 PolarHBondContact O-N 3.1Å; H364-Y367 PolarHBondContact O-N 3.22Å; H364-D368 IonicContact CE1-OD1 2.81Å; H364-D368 IonicContact CE1-OD2 3.68Å; H364-D368 PolarHBondContact CE1-OD2 3.11Å; H364-D368 IonicContact ND1-OD2 3.6Å; H364-D368 PolarHBondContact ND1-OD2 3.46Å; H364-D368 IonicContact NE2-OD2 2.57Å; H364-D368 WeakPolarHBondContact O-CB 3.26Å; H364-D368 PolarHBondContact O-N 2.95Å; H364-Y449 WeakPolarHBondContact CA-OH 3.39Å; H364-Y449 HydrophobicContact CB-CE2 4.49Å; H364-R453 PolarHBondContact CD2-NH1 3.31Å; H364-R453 PolarHBondContact NE2-NH1 3.13Å
365T89.6Confident84.4Confident26 Ų2643.8 Ų43.816%0.1621%0.208CC..Hα-helixtrans-59-45.4177-51.90000110.8I347 F354 T361 L362 L369I347-T365 HydrophobicContact CD1-CG2 4.16Å; I347-T365 HydrophobicContact CG2-CG2 4.12Å; F354-T365 HydrophobicContact CB-CG2 4.37Å; T361-T365 PolarHBondContact O-N 3.1Å; T361-T365 PolarHBondContact O-OG1 2.82Å; L362-T365 PolarHBondContact O-N 3.36Å; T365-L369 HydrophobicContact CG2-CD1 4.23Å; T365-L369 WeakPolarHBondContact O-CB 3.16Å; T365-L369 WeakPolarHBondContact O-CG 3.15Å; T365-L369 PolarHBondContact O-N 3.34Å
366F89.4Confident84Confident5 Ų543.1 Ų43.12%0.02221%0.205CC..Hα-helixtrans-64.6-42.8177.3-179.9-109.7000113.2L120 I124 I343 A346 I347 L362 F363 H364 L369 L370 F442 F446L120-F366 HydrophobicContact CB-CZ 4.47Å; L120-F366 HydrophobicContact CD1-CE2 4.07Å; L120-F366 HydrophobicContact CD1-CZ 4.05Å; I124-F366 HydrophobicContact CD1-CE2 3.77Å; I124-F366 HydrophobicContact CD1-CZ 3.43Å; I124-F366 VanDerWaalsContact CD1-CZ 3.43Å; I343-F366 HydrophobicContact CG2-CB 3.81Å; I343-F366 HydrophobicContact CG2-CD2 4.09Å; I343-F366 HydrophobicContact CG2-CG 3.89Å; A346-F366 HydrophobicContact CB-CD2 4.32Å; A346-F366 HydrophobicContact CB-CE2 3.84Å; I347-F366 HydrophobicContact CD1-CB 4.15Å; I347-F366 HydrophobicContact CG1-CB 4.18Å; I347-F366 HydrophobicContact CG1-CD2 4.27Å; L362-F366 WeakPolarHBondContact O-CB 3.23Å; L362-F366 PolarHBondContact O-N 3.17Å; F363-F366 PolarHBondContact O-N 2.61Å; H364-F366 VanDerWaalsContact C-N 3.32Å; H364-F366 PolarHBondContact O-N 3.1Å; F366-L369 WeakPolarHBondContact O-CB 3.45Å; F366-L369 PolarHBondContact O-N 3.43Å; F366-L370 HydrophobicContact CD1-CD1 4.12Å; F366-L370 HydrophobicContact CE1-CD1 3.59Å; F366-L370 HydrophobicContact CE1-CG 4.25Å; F366-L370 HydrophobicContact CE2-CG 4.46Å; F366-L370 HydrophobicContact CZ-CD1 3.9Å; F366-L370 HydrophobicContact CZ-CD2 4.39Å; F366-L370 HydrophobicContact CZ-CG 4.17Å; F366-L370 WeakPolarHBondContact O-CG 3.27Å; F366-L370 PolarHBondContact O-N 3.23Å; F366-F442 HydrophobicContact CD1-CZ 4.37Å; F366-F442 AromaticContact CE1-CE1 3.64Å; F366-F442 HydrophobicContact CE1-CE1 3.64Å; F366-F442 AromaticContact CE1-CZ 3.65Å; F366-F442 HydrophobicContact CE1-CZ 3.65Å; F366-F442 HydrophobicContact CZ-CE1 4.39Å; F366-F442 HydrophobicContact CZ-CZ 4.45Å; F366-F446 HydrophobicContact CD1-CD2 4.48Å; F366-F446 AromaticContact CD1-CE2 3.93Å; F366-F446 HydrophobicContact CD1-CE2 3.93Å; F366-F446 HydrophobicContact CE1-CE2 4.16Å
367Y89Confident83.4Confident10 Ų1047.6 Ų47.64%0.03923%0.225CC..Hα-helixtrans-62.9-45.5177.8-174.8-84.6000111.6F363 H364 L369 L370 I371 L426 F446 Y449 T450F363-Y367 WeakPolarHBondContact O-CB 3.43Å; F363-Y367 PolarHBondContact O-N 3.41Å; H364-Y367 PolarHBondContact O-N 3.22Å; Y367-L369 VanDerWaalsContact C-N 3.32Å; Y367-L369 PolarHBondContact O-N 3.35Å; Y367-L370 WeakPolarHBondContact O-CB 3.32Å; Y367-L370 PolarHBondContact O-N 3.27Å; Y367-I371 HydrophobicContact CD1-CD1 3.66Å; Y367-I371 HydrophobicContact CE1-CD1 3.19Å; Y367-I371 HydrophobicContact CE1-CG1 4.28Å; Y367-I371 PolarHBondContact O-N 3Å; Y367-I371 VanDerWaalsContact O-N 3.14Å; Y367-L426 HydrophobicContact CD2-CD2 3.6Å; Y367-L426 HydrophobicContact CE2-CD1 3.93Å; Y367-L426 HydrophobicContact CE2-CD2 3.37Å; Y367-L426 HydrophobicContact CE2-CG 4.3Å; Y367-L426 HydrophobicContact CG-CD2 4.44Å; Y367-F446 HydrophobicContact CD2-CE2 4.16Å; Y367-F446 AromaticContact CD2-CZ 3.8Å; Y367-F446 HydrophobicContact CD2-CZ 3.8Å; Y367-F446 HydrophobicContact CE2-CZ 4.5Å; Y367-Y449 AromaticContact CD2-CE1 3.87Å; Y367-Y449 HydrophobicContact CD2-CE1 3.87Å; Y367-Y449 HydrophobicContact CG-CE1 4.01Å; Y367-T450 HydrophobicContact CE2-CG2 4.41Å
368D87.6Confident82.6Confident46 Ų4643.6 Ų43.625%0.24621%0.206CC..Hα-helixtrans-64.5-39.1176.7-73.83000111.1H364 I371 Q372 R453H364-D368 IonicContact CE1-OD1 2.81Å; H364-D368 IonicContact CE1-OD2 3.68Å; H364-D368 PolarHBondContact CE1-OD2 3.11Å; H364-D368 IonicContact ND1-OD2 3.6Å; H364-D368 PolarHBondContact ND1-OD2 3.46Å; H364-D368 IonicContact NE2-OD2 2.57Å; H364-D368 WeakPolarHBondContact O-CB 3.26Å; H364-D368 PolarHBondContact O-N 2.95Å; D368-I371 PolarHBondContact O-N 3.2Å; D368-Q372 WeakPolarHBondContact O-CB 3.46Å; D368-Q372 VanDerWaalsContact O-CG 3.25Å; D368-Q372 WeakPolarHBondContact O-CG 3.43Å; D368-Q372 PolarHBondContact O-N 2.92Å; D368-R453 IonicContact OD1-NH1 3.51Å; D368-R453 PolarHBondContact OD1-NH1 2.89Å; D368-R453 IonicContact OD1-NH2 3.83Å
369L85.8Confident81.3Confident13 Ų1352.7 Ų52.77%0.06825%0.245CC..Hα-helixtrans-62-42.6174.9-87.6167.1000113I347 E351 T365 F366 Y367 I371 Q372 K373I347-L369 HydrophobicContact CB-CD1 4.03Å; I347-L369 HydrophobicContact CG1-CD1 3.9Å; I347-L369 HydrophobicContact CG2-CD1 3.74Å; E351-L369 HydrophobicContact CG-CD1 4.38Å; E351-L369 HydrophobicContact CG-CD2 3.81Å; T365-L369 HydrophobicContact CG2-CD1 4.23Å; T365-L369 WeakPolarHBondContact O-CB 3.16Å; T365-L369 WeakPolarHBondContact O-CG 3.15Å; T365-L369 PolarHBondContact O-N 3.34Å; F366-L369 WeakPolarHBondContact O-CB 3.45Å; F366-L369 PolarHBondContact O-N 3.43Å; Y367-L369 VanDerWaalsContact C-N 3.32Å; Y367-L369 PolarHBondContact O-N 3.35Å; L369-I371 VanDerWaalsContact C-N 3.33Å; L369-I371 PolarHBondContact O-N 2.65Å; L369-Q372 PolarHBondContact O-N 3.3Å; L369-K373 WeakPolarHBondContact O-CB 3.49Å; L369-K373 PolarHBondContact O-N 3.31Å
370L84.1Confident80Confident15 Ų1556 Ų568%0.07928%0.283CS..Hα-helixtrans-58.1-46.6174.5-78.1177.2000111.2I124 F366 Y367 N374 L426 F446I124-L370 HydrophobicContact CD1-CD2 4.12Å; F366-L370 HydrophobicContact CD1-CD1 4.12Å; F366-L370 HydrophobicContact CE1-CD1 3.59Å; F366-L370 HydrophobicContact CE1-CG 4.25Å; F366-L370 HydrophobicContact CE2-CG 4.46Å; F366-L370 HydrophobicContact CZ-CD1 3.9Å; F366-L370 HydrophobicContact CZ-CD2 4.39Å; F366-L370 HydrophobicContact CZ-CG 4.17Å; F366-L370 WeakPolarHBondContact O-CG 3.27Å; F366-L370 PolarHBondContact O-N 3.23Å; Y367-L370 WeakPolarHBondContact O-CB 3.32Å; Y367-L370 PolarHBondContact O-N 3.27Å; L370-N374 VanDerWaalsContact O-CB 3.28Å; L370-N374 WeakPolarHBondContact O-CB 3.41Å; L370-N374 PolarHBondContact O-N 2.74Å; L370-N374 VanDerWaalsContact O-N 3.15Å; L370-N374 PolarHBondContact O-ND2 3.13Å; L370-N374 VanDerWaalsContact O-ND2 3.12Å; L370-L426 HydrophobicContact CD1-CD2 4.13Å; L370-F446 HydrophobicContact CD1-CZ 4.14Å
371I83.7Confident79Confident29 Ų2958.1 Ų58.115%0.14930%0.296CS..Hα-helixtrans-63.9-48.4177.7-71173.3000111.3Y367 D368 L369 K375 F386 L390 T424Y367-I371 HydrophobicContact CD1-CD1 3.66Å; Y367-I371 HydrophobicContact CE1-CD1 3.19Å; Y367-I371 HydrophobicContact CE1-CG1 4.28Å; Y367-I371 PolarHBondContact O-N 3Å; Y367-I371 VanDerWaalsContact O-N 3.14Å; D368-I371 PolarHBondContact O-N 3.2Å; L369-I371 VanDerWaalsContact C-N 3.33Å; L369-I371 PolarHBondContact O-N 2.65Å; I371-K375 PolarHBondContact O-N 2.77Å; I371-F386 HydrophobicContact CG1-CZ 4.5Å; I371-F386 HydrophobicContact CG2-CE1 3.93Å; I371-F386 HydrophobicContact CG2-CZ 3.91Å; I371-L390 HydrophobicContact CD1-CD1 3.74Å; I371-L390 HydrophobicContact CD1-CD2 4.21Å; I371-T424 HydrophobicContact CG1-CG2 3.84Å
372Q81.9Confident78.2Confident118 Ų11859.3 Ų59.355%0.55130%0.303SS*.Hα-helixtrans-65.7-48.5-175.6-73.3-179.824.700112D368 L369 N374 K375D368-Q372 WeakPolarHBondContact O-CB 3.46Å; D368-Q372 VanDerWaalsContact O-CG 3.25Å; D368-Q372 WeakPolarHBondContact O-CG 3.43Å; D368-Q372 PolarHBondContact O-N 2.92Å; L369-Q372 PolarHBondContact O-N 3.3Å; Q372-N374 PolarHBondContact O-N 3.14Å; Q372-K375 VanDerWaalsContact O-CB 3.29Å; Q372-K375 WeakPolarHBondContact O-CB 3.48Å; Q372-K375 PolarHBondContact O-N 3.35Å
373K75.9Confident77.4Confident105 Ų10563.1 Ų63.146%0.45734%0.335SS..Hα-helixtrans-66.5-37.5-179-79.4-168.4166.7-172.80112M349 L369 K375 H376M349-K373 PolarHBondContact O-NZ 2.82Å; L369-K373 WeakPolarHBondContact O-CB 3.49Å; L369-K373 PolarHBondContact O-N 3.31Å; K373-K375 VanDerWaalsContact C-N 3.35Å; K373-H376 PolarHBondContact O-CE1 2.87Å; K373-H376 PolarHBondContact O-ND1 3.25Å
374N72.6Confident76.7Confident18 Ų1866.4 Ų66.410%0.09636%0.358CS..Hα-helixtrans-87.6-1.2-179-67-47.4000114L370 Q372 H376 K377 H378 T423 T424L370-N374 VanDerWaalsContact O-CB 3.28Å; L370-N374 WeakPolarHBondContact O-CB 3.41Å; L370-N374 PolarHBondContact O-N 2.74Å; L370-N374 VanDerWaalsContact O-N 3.15Å; L370-N374 PolarHBondContact O-ND2 3.13Å; L370-N374 VanDerWaalsContact O-ND2 3.12Å; Q372-N374 PolarHBondContact O-N 3.14Å; N374-H376 PolarHBondContact O-N 3.24Å; N374-K377 HydrophobicContact CB-CD 4.21Å; N374-K377 VanDerWaalsContact O-CB 3.3Å; N374-K377 WeakPolarHBondContact O-CB 3.49Å; N374-K377 PolarHBondContact O-N 3.14Å; N374-K377 VanDerWaalsContact OD1-CE 3.31Å; N374-K377 WeakPolarHBondContact OD1-CE 3.37Å; N374-K377 PolarHBondContact OD1-NZ 3.02Å; N374-H378 PolarHBondContact O-CD2 2.93Å; N374-H378 PolarHBondContact O-NE2 3.04Å; N374-T423 WeakPolarHBondContact CB-O 3.49Å; N374-T424 PolarHBondContact ND2-O 2.95Å
375K71.9Confident76Confident156 Ų15665.9 Ų65.968%0.67836%0.357SS*.G310 helixtrans-51.3-34.5-179.9-164.2174.7-176.4176.80114.2I371 Q372 K373 K377 H378I371-K375 PolarHBondContact O-N 2.77Å; Q372-K375 VanDerWaalsContact O-CB 3.29Å; Q372-K375 WeakPolarHBondContact O-CB 3.48Å; Q372-K375 PolarHBondContact O-N 3.35Å; K373-K375 VanDerWaalsContact C-N 3.35Å; K375-K377 VanDerWaalsContact C-N 3.29Å; K375-K377 PolarHBondContact O-N 3.5Å; K375-H378 PolarHBondContact O-N 3.24Å
376H68.1Low75.5Confident121 Ų12166.2 Ų66.256%0.5636%0.357SS*.G310 helixtrans-71.8-18179.270-84.6000114.2K373 N374 H378K373-H376 PolarHBondContact O-CE1 2.87Å; K373-H376 PolarHBondContact O-ND1 3.25Å; N374-H376 PolarHBondContact O-N 3.24Å; H376-H378 VanDerWaalsContact C-N 3.26Å
377K67.8Low75.1Confident96 Ų9670.7 Ų70.742%0.41738%0.38SS..G310 helixtrans-78.2-9.3177.6-62179.5175.6167.80112.5N374 K375 T423N374-K377 HydrophobicContact CB-CD 4.21Å; N374-K377 VanDerWaalsContact O-CB 3.3Å; N374-K377 WeakPolarHBondContact O-CB 3.49Å; N374-K377 PolarHBondContact O-N 3.14Å; N374-K377 VanDerWaalsContact OD1-CE 3.31Å; N374-K377 WeakPolarHBondContact OD1-CE 3.37Å; N374-K377 PolarHBondContact OD1-NZ 3.02Å; K375-K377 VanDerWaalsContact C-N 3.29Å; K375-K377 PolarHBondContact O-N 3.5Å; K377-T423 WeakPolarHBondContact CD-O 3.34Å
378H63.9Low74.8Confident21 Ų2177.6 Ų77.610%0.09741%0.406CS..G310 helixtrans-102.130.4-176.2-46.2-53.9000114N374 K375 H376 G380 V381 F386 T423 T424N374-H378 PolarHBondContact O-CD2 2.93Å; N374-H378 PolarHBondContact O-NE2 3.04Å; K375-H378 PolarHBondContact O-N 3.24Å; H376-H378 VanDerWaalsContact C-N 3.26Å; H378-G380 PolarHBondContact O-N 2.77Å; H378-V381 PolarHBondContact O-N 2.79Å; H378-F386 AromaticContact CD2-CE2 3.56Å; H378-F386 AromaticContact NE2-CE2 3.54Å; H378-T423 PolarHBondContact CE1-OG1 3.22Å; H378-T423 PolarHBondContact ND1-OG1 3.28Å; H378-T424 PolarHBondContact CE1-OG1 3.1Å; H378-T424 PolarHBondContact NE2-OG1 2.88Å
379K56.3Low74.6Confident195 Ų19575.9 Ų75.985%0.84840%0.397SS*.THydrogen-bonded Turntrans-61.5105.7-179.4-73.4-179.5-176.7179.90110.5
380G60.3Low74.6Confident83 Ų8376.7 Ų76.786%0.85640%0.401SS*.THydrogen-bonded Turntrans123.7-7.3177.600000115.7H378H378-G380 PolarHBondContact O-N 2.77Å
381V67.7Low74.7Confident48 Ų4878.6 Ų78.629%0.29141%0.412SS..  trans-96135.6178.2-175.60000110.5H378 D385 F386 V420H378-V381 PolarHBondContact O-N 2.79Å; V381-D385 HydrophobicContact CG1-CB 3.82Å; V381-F386 HydrophobicContact CG1-CB 4.39Å; V381-V420 HydrophobicContact CG2-CG2 4.16Å
382T74.1Confident74.8Confident68 Ų6879.6 Ų79.642%0.41742%0.416SS..  trans-69.4152.4175.973.70000111S384 D385 F386T382-S384 PolarHBondContact O-N 3Å; T382-S384 PolarHBondContact OG1-OG 3.32Å; T382-D385 PolarHBondContact O-N 3.34Å; T382-D385 VanDerWaalsContact O-N 3.14Å; T382-D385 WeakPolarHBondContact OG1-CB 3.48Å; T382-D385 PolarHBondContact OG1-N 3.15Å; T382-D385 VanDerWaalsContact OG1-N 3.16Å; T382-D385 PolarHBondContact OG1-OD2 3.48Å; T382-F386 PolarHBondContact O-N 3.26Å
383A74.6Confident75.1Confident80 Ų8074 Ų7466%0.66139%0.39SS*.Hα-helixtrans-57.9-34.7177.800000112.5I387A383-I387 WeakPolarHBondContact O-CG1 3.39Å; A383-I387 PolarHBondContact O-N 3.41Å; A383-I387 VanDerWaalsContact O-N 3.13Å
384S75.8Confident75.8Confident70 Ų7069.2 Ų69.249%0.4937%0.37SS..Hα-helixtrans-68.1-39.617645.30000113.3T382 F386 R388T382-S384 PolarHBondContact O-N 3Å; T382-S384 PolarHBondContact OG1-OG 3.32Å; S384-F386 VanDerWaalsContact C-N 3.34Å; S384-R388 WeakPolarHBondContact O-CB 3.31Å; S384-R388 PolarHBondContact O-N 3.1Å
385D75.5Confident76.6Confident60 Ų6069.4 Ų69.432%0.32137%0.371SS..Hα-helixtrans-73.3-30.5179.1-62.7-37.3000111.7V381 T382 R388 S389V381-D385 HydrophobicContact CG1-CB 3.82Å; T382-D385 PolarHBondContact O-N 3.34Å; T382-D385 VanDerWaalsContact O-N 3.14Å; T382-D385 WeakPolarHBondContact OG1-CB 3.48Å; T382-D385 PolarHBondContact OG1-N 3.15Å; T382-D385 VanDerWaalsContact OG1-N 3.16Å; T382-D385 PolarHBondContact OG1-OD2 3.48Å; D385-R388 IonicContact OD1-CZ 2.88Å; D385-R388 IonicContact OD1-NH1 2.63Å; D385-R388 PolarHBondContact OD1-NH1 3.36Å; D385-R388 IonicContact OD1-NH2 2.68Å; D385-S389 WeakPolarHBondContact O-CB 3.28Å; D385-S389 PolarHBondContact O-N 3.34Å; D385-S389 PolarHBondContact O-OG 2.9Å
386F79.9Confident77.5Confident34 Ų3462.5 Ų62.515%0.14934%0.342CS..Hα-helixtrans-64.4-50.3171.8-175.8-103.8000111.5I371 H378 V381 T382 S384 R388 S389 L390 V420I371-F386 HydrophobicContact CG1-CZ 4.5Å; I371-F386 HydrophobicContact CG2-CE1 3.93Å; I371-F386 HydrophobicContact CG2-CZ 3.91Å; H378-F386 AromaticContact CD2-CE2 3.56Å; H378-F386 AromaticContact NE2-CE2 3.54Å; V381-F386 HydrophobicContact CG1-CB 4.39Å; T382-F386 PolarHBondContact O-N 3.26Å; S384-F386 VanDerWaalsContact C-N 3.34Å; F386-R388 PolarHBondContact O-N 3.18Å; F386-S389 WeakPolarHBondContact O-CB 3.34Å; F386-S389 PolarHBondContact O-N 3.32Å; F386-S389 VanDerWaalsContact O-N 3.14Å; F386-L390 HydrophobicContact CD1-CD1 4.07Å; F386-L390 HydrophobicContact CE1-CD1 3.58Å; F386-L390 HydrophobicContact CE1-CG 4.21Å; F386-L390 HydrophobicContact CZ-CD1 4.09Å; F386-L390 HydrophobicContact CZ-CD2 4.33Å; F386-L390 HydrophobicContact CZ-CG 4.37Å; F386-L390 WeakPolarHBondContact O-CG 3.44Å; F386-L390 PolarHBondContact O-N 2.58Å; F386-V420 HydrophobicContact CD2-CG1 3.64Å; F386-V420 HydrophobicContact CE2-CG1 3.8Å
387I81.2Confident78.6Confident98 Ų9856.8 Ų56.850%0.50332%0.315SS..Hα-helixtrans-59.8-45.7176.9-67.2167.4000110.8A383 S389 L390 D391A383-I387 WeakPolarHBondContact O-CG1 3.39Å; A383-I387 PolarHBondContact O-N 3.41Å; A383-I387 VanDerWaalsContact O-N 3.13Å; I387-S389 PolarHBondContact O-N 3Å; I387-L390 WeakPolarHBondContact O-CB 3.31Å; I387-L390 PolarHBondContact O-N 2.96Å; I387-D391 PolarHBondContact O-N 3.18Å
388R82.8Confident79.7Confident156 Ų15652.2 Ų52.259%0.58930%0.295SS*.Hα-helixtrans-58.6-37.1176.5-168.3-175.2-61.6126.65112.5S384 D385 F386 H392S384-R388 WeakPolarHBondContact O-CB 3.31Å; S384-R388 PolarHBondContact O-N 3.1Å; D385-R388 IonicContact OD1-CZ 2.88Å; D385-R388 IonicContact OD1-NH1 2.63Å; D385-R388 PolarHBondContact OD1-NH1 3.36Å; D385-R388 IonicContact OD1-NH2 2.68Å; F386-R388 PolarHBondContact O-N 3.18Å; R388-H392 WeakPolarHBondContact O-CB 3.4Å; R388-H392 PolarHBondContact O-N 2.89Å
389S83.4Confident81Confident10 Ų1055.9 Ų55.97%0.0731%0.312CS..Hα-helixtrans-66.9-39.8176.2-58.10000111.6D385 F386 I387 H392 C393D385-S389 WeakPolarHBondContact O-CB 3.28Å; D385-S389 PolarHBondContact O-N 3.34Å; D385-S389 PolarHBondContact O-OG 2.9Å; F386-S389 WeakPolarHBondContact O-CB 3.34Å; F386-S389 PolarHBondContact O-N 3.32Å; F386-S389 VanDerWaalsContact O-N 3.14Å; I387-S389 PolarHBondContact O-N 3Å; S389-H392 PolarHBondContact O-N 3.21Å; S389-C393 PolarHBondContact O-N 3.25Å
390L85.6Confident82.4Confident29 Ų2946.6 Ų46.615%0.15227%0.272CS..Hα-helixtrans-66.1-43.7174.9-63.4-179.5000112.1I371 F386 I387 H392 C393 G394 L426I371-L390 HydrophobicContact CD1-CD1 3.74Å; I371-L390 HydrophobicContact CD1-CD2 4.21Å; F386-L390 HydrophobicContact CD1-CD1 4.07Å; F386-L390 HydrophobicContact CE1-CD1 3.58Å; F386-L390 HydrophobicContact CE1-CG 4.21Å; F386-L390 HydrophobicContact CZ-CD1 4.09Å; F386-L390 HydrophobicContact CZ-CD2 4.33Å; F386-L390 HydrophobicContact CZ-CG 4.37Å; F386-L390 WeakPolarHBondContact O-CG 3.44Å; F386-L390 PolarHBondContact O-N 2.58Å; I387-L390 WeakPolarHBondContact O-CB 3.31Å; I387-L390 PolarHBondContact O-N 2.96Å; L390-H392 VanDerWaalsContact C-N 3.3Å; L390-H392 PolarHBondContact O-N 3.29Å; L390-C393 WeakPolarHBondContact O-CB 3.22Å; L390-C393 PolarHBondContact O-N 3.2Å; L390-G394 PolarHBondContact O-N 3.18Å; L390-L426 HydrophobicContact CD2-CD1 3.5Å
391D86.5Confident83.7Confident55 Ų5542.9 Ų42.929%0.29423%0.233SC..Hα-helixtrans-60.4-41.9175.7-77.2-39.4000111.6I387 G394 D395 R454I387-D391 PolarHBondContact O-N 3.18Å; D391-G394 CarbonylContact O-C 3.59Å; D391-G394 WeakPolarHBondContact O-CA 3.42Å; D391-G394 PolarHBondContact O-N 3.36Å; D391-G394 VanDerWaalsContact O-N 3.16Å; D391-D395 PolarHBondContact O-N 3.39Å; D391-R454 IonicContact OD1-CZ 3.59Å; D391-R454 IonicContact OD1-NH1 3.82Å; D391-R454 PolarHBondContact OD1-NH1 3.3Å
392H84.8Confident84.5Confident51 Ų5141.9 Ų41.924%0.23623%0.225CC..Hα-helixtrans-65-41175.2-170.688.6000112.3R388 S389 L390 G394 D395 L396 S415 V416R388-H392 WeakPolarHBondContact O-CB 3.4Å; R388-H392 PolarHBondContact O-N 2.89Å; S389-H392 PolarHBondContact O-N 3.21Å; L390-H392 VanDerWaalsContact C-N 3.3Å; L390-H392 PolarHBondContact O-N 3.29Å; H392-G394 PolarHBondContact O-N 2.86Å; H392-D395 PolarHBondContact O-N 2.95Å; H392-D395 VanDerWaalsContact O-N 3.15Å; H392-L396 WeakPolarHBondContact O-CB 3.5Å; H392-L396 PolarHBondContact O-N 3.47Å; H392-S415 PolarHBondContact CE1-OG 3.17Å; H392-S415 PolarHBondContact NE2-OG 3.19Å; H392-V416 HydrophobicContact CB-CG2 3.98Å; H392-V416 WeakPolarHBondContact CD2-CG2 3.17Å; H392-V416 WeakPolarHBondContact NE2-CG2 3.36Å
393C88Confident85Confident0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-58.6-39.2172.4-172.80000111.3S389 L390 L396 A397 L421S389-C393 PolarHBondContact O-N 3.25Å; L390-C393 WeakPolarHBondContact O-CB 3.22Å; L390-C393 PolarHBondContact O-N 3.2Å; C393-L396 PolarHBondContact O-N 3.33Å; C393-A397 WeakPolarHBondContact O-CB 3.35Å; C393-A397 PolarHBondContact O-N 3.18Å; C393-L421 HydrophobicContact CB-CD1 3.91Å; C393-L421 HydrophobicContact CB-CD2 3.63Å; C393-L421 HydrophobicContact CB-CG 4.43Å
394G91.2Very high85.2Confident4 Ų441.8 Ų41.84%0.04121%0.213CC..Hα-helixtrans-59.2-49.3170.800000113.3L390 D391 H392 A397 L398L390-G394 PolarHBondContact O-N 3.18Å; D391-G394 CarbonylContact O-C 3.59Å; D391-G394 WeakPolarHBondContact O-CA 3.42Å; D391-G394 PolarHBondContact O-N 3.36Å; D391-G394 VanDerWaalsContact O-N 3.16Å; H392-G394 PolarHBondContact O-N 2.86Å; G394-A397 PolarHBondContact O-N 3.18Å; G394-L398 WeakPolarHBondContact O-CB 3.45Å; G394-L398 PolarHBondContact O-N 3.27Å
395D90.3Very high85.5Confident22 Ų2241.4 Ų41.412%0.11820%0.203CC..Hα-helixtrans-63.2-42.3178.2-77.2-31.9000111.2D391 H392 A397 L398 E399 R454 K469D391-D395 PolarHBondContact O-N 3.39Å; H392-D395 PolarHBondContact O-N 2.95Å; H392-D395 VanDerWaalsContact O-N 3.15Å; D395-A397 PolarHBondContact O-N 2.79Å; D395-L398 PolarHBondContact O-N 3.32Å; D395-E399 WeakPolarHBondContact O-CB 3.43Å; D395-E399 WeakPolarHBondContact O-CG 3.32Å; D395-E399 PolarHBondContact O-N 3.07Å; D395-R454 IonicContact OD1-CZ 3.53Å; D395-R454 IonicContact OD1-NE 2.73Å; D395-R454 PolarHBondContact OD1-NE 3.46Å; D395-R454 IonicContact OD1-NH2 3.42Å; D395-R454 PolarHBondContact OD1-NH2 3.35Å; D395-R454 IonicContact OD2-CZ 2.7Å; D395-R454 IonicContact OD2-NE 3.45Å; D395-R454 IonicContact OD2-NH2 3.6Å; D395-R454 PolarHBondContact OD2-NH2 2.82Å; D395-K469 IonicContact OD1-NZ 2.98Å; D395-K469 PolarHBondContact OD1-NZ 3.23Å; D395-K469 IonicContact OD2-NZ 2.8Å; D395-K469 PolarHBondContact OD2-NZ 3.29Å
396L89.7Confident85.8Confident12 Ų1240 Ų406%0.06319%0.194CC..Hα-helixtrans-60.2-44.8175.1-175.471.1000111.9H392 C393 G400 F408 D412 V413 L427H392-L396 WeakPolarHBondContact O-CB 3.5Å; H392-L396 PolarHBondContact O-N 3.47Å; C393-L396 PolarHBondContact O-N 3.33Å; L396-G400 PolarHBondContact O-N 3.19Å; L396-F408 HydrophobicContact CD1-CD1 3.47Å; L396-F408 VanDerWaalsContact CD1-CD1 3.47Å; L396-F408 HydrophobicContact CD1-CE1 3.64Å; L396-F408 HydrophobicContact CD1-CG 4.2Å; L396-F408 HydrophobicContact CD2-CD1 4.15Å; L396-F408 HydrophobicContact CD2-CD2 4.32Å; L396-F408 HydrophobicContact CD2-CE1 4.35Å; L396-F408 HydrophobicContact CD2-CG 4.13Å; L396-F408 HydrophobicContact CG-CD1 3.78Å; L396-F408 HydrophobicContact CG-CE1 3.64Å; L396-F408 HydrophobicContact CG-CG 4.26Å; L396-F408 HydrophobicContact CG-CZ 4.03Å; L396-D412 HydrophobicContact CD1-CB 4.16Å; L396-V413 HydrophobicContact CD2-CG2 4.29Å; L396-L427 HydrophobicContact CD2-CD1 4.13Å
397A90.9Very high85.7Confident0 Ų039.8 Ų39.80%019%0.194CC..Hα-helixtrans-62.3-46.2176.500000111.2C393 G394 D395 G400 V401 F441 Q447 T450 A451C393-A397 WeakPolarHBondContact O-CB 3.35Å; C393-A397 PolarHBondContact O-N 3.18Å; G394-A397 PolarHBondContact O-N 3.18Å; D395-A397 PolarHBondContact O-N 2.79Å; A397-G400 PolarHBondContact O-N 2.98Å; A397-V401 WeakPolarHBondContact O-CG2 3.4Å; A397-V401 PolarHBondContact O-N 2.83Å; A397-F441 HydrophobicContact CB-CE2 4.02Å; A397-F441 HydrophobicContact CB-CZ 3.73Å; A397-Q447 HydrophobicContact CB-CG 4.06Å; A397-Q447 PolarHBondContact O-NE2 3.42Å; A397-T450 HydrophobicContact CB-CG2 3.97Å; A397-A451 HydrophobicContact CB-CB 4.06Å
398L92Very high85.7Confident0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-64-50.3-178.7-172.559.7000111.5G394 D395 G400 V401 F402 A451 R454 L455 L458 Y473 L490G394-L398 WeakPolarHBondContact O-CB 3.45Å; G394-L398 PolarHBondContact O-N 3.27Å; D395-L398 PolarHBondContact O-N 3.32Å; L398-G400 VanDerWaalsContact C-N 3.26Å; L398-G400 PolarHBondContact O-N 2.83Å; L398-V401 PolarHBondContact O-N 3.19Å; L398-F402 HydrophobicContact CD1-CD2 4.17Å; L398-F402 HydrophobicContact CD1-CE2 3.84Å; L398-F402 HydrophobicContact CG-CD2 4.42Å; L398-F402 HydrophobicContact CG-CE2 4.4Å; L398-F402 WeakPolarHBondContact O-CD2 3.39Å; L398-F402 PolarHBondContact O-N 3.05Å; L398-A451 HydrophobicContact CB-CB 4.18Å; L398-A451 HydrophobicContact CD1-CB 4.09Å; L398-R454 HydrophobicContact CD2-CG 4.4Å; L398-L455 HydrophobicContact CD1-CB 4.22Å; L398-L455 HydrophobicContact CD2-CB 4.41Å; L398-L458 HydrophobicContact CD2-CD1 4.05Å; L398-Y473 HydrophobicContact CD2-CD1 4.5Å; L398-Y473 HydrophobicContact CD2-CD2 3.65Å; L398-Y473 HydrophobicContact CD2-CE1 4.36Å; L398-Y473 HydrophobicContact CD2-CE2 3.46Å; L398-Y473 VanDerWaalsContact CD2-CE2 3.46Å; L398-Y473 HydrophobicContact CD2-CG 4.17Å; L398-Y473 HydrophobicContact CG-CD1 4.41Å; L398-Y473 HydrophobicContact CG-CD2 4.41Å; L398-Y473 HydrophobicContact CG-CE1 4.18Å; L398-Y473 HydrophobicContact CG-CE2 4.16Å; L398-L490 HydrophobicContact CD1-CD1 3.97Å; L398-L490 HydrophobicContact CD1-CD2 4.12Å
399E90.3Very high85.5Confident98 Ų9833.3 Ų33.346%0.45817%0.167SC..Hα-helixtrans-61.2-36.3174.4-72.3178.5-169.800112.1D395 F402 S403 Y473D395-E399 WeakPolarHBondContact O-CB 3.43Å; D395-E399 WeakPolarHBondContact O-CG 3.32Å; D395-E399 PolarHBondContact O-N 3.07Å; E399-F402 PolarHBondContact O-N 2.77Å; E399-S403 WeakPolarHBondContact O-CB 3.44Å; E399-S403 PolarHBondContact O-N 2.65Å; E399-S403 PolarHBondContact O-OG 3.26Å; E399-Y473 WeakPolarHBondContact CG-OH 3.43Å
400G86.8Confident85Confident1 Ų136.7 Ų36.71%0.0118%0.184CC..Hα-helixtrans-59.7-44.817400000112.7L396 A397 L398 S403 H404 K405L396-G400 PolarHBondContact O-N 3.19Å; A397-G400 PolarHBondContact O-N 2.98Å; L398-G400 VanDerWaalsContact C-N 3.26Å; L398-G400 PolarHBondContact O-N 2.83Å; G400-S403 PolarHBondContact O-N 3.16Å; G400-H404 CarbonylContact O-C 3.57Å; G400-H404 WeakPolarHBondContact O-CA 3.43Å; G400-H404 PolarHBondContact O-N 3.02Å; G400-K405 CarbonylContact C-O 3.46Å; G400-K405 VanDerWaalsContact CA-O 3.25Å; G400-K405 WeakPolarHBondContact CA-O 3.33Å; G400-K405 PolarHBondContact O-N 3.05Å
401V86.3Confident84.7Confident5 Ų541.6 Ų41.63%0.0321%0.206CC..Hα-helixtrans-62.3-49.8176.1173.30000110.8A397 L398 S403 H404 E448 A451 Y487 L490A397-V401 WeakPolarHBondContact O-CG2 3.4Å; A397-V401 PolarHBondContact O-N 2.83Å; L398-V401 PolarHBondContact O-N 3.19Å; V401-S403 VanDerWaalsContact C-N 3.32Å; V401-S403 PolarHBondContact O-N 3.14Å; V401-H404 PolarHBondContact O-N 3.14Å; V401-E448 HydrophobicContact CG2-CG 4.29Å; V401-A451 HydrophobicContact CG2-CB 3.99Å; V401-Y487 HydrophobicContact CG1-CD1 4.27Å; V401-L490 HydrophobicContact CG1-CB 4.49Å; V401-L490 HydrophobicContact CG1-CD2 4.12Å
402F85.9Confident84.1Confident27 Ų2741.3 Ų41.312%0.11820%0.204CC..Hα-helixtrans-66.7-30.8-179.5-83.2-85.7000113.8L398 E399 H404 Y473 K476 M477 Y487 L490L398-F402 HydrophobicContact CD1-CD2 4.17Å; L398-F402 HydrophobicContact CD1-CE2 3.84Å; L398-F402 HydrophobicContact CG-CD2 4.42Å; L398-F402 HydrophobicContact CG-CE2 4.4Å; L398-F402 WeakPolarHBondContact O-CD2 3.39Å; L398-F402 PolarHBondContact O-N 3.05Å; E399-F402 PolarHBondContact O-N 2.77Å; F402-H404 VanDerWaalsContact C-N 3.34Å; F402-Y473 HydrophobicContact CD1-CD1 4.47Å; F402-Y473 AromaticContact CD2-CD1 3.58Å; F402-Y473 HydrophobicContact CD2-CD1 3.58Å; F402-Y473 AromaticContact CD2-CE1 3.86Å; F402-Y473 HydrophobicContact CD2-CE1 3.86Å; F402-Y473 HydrophobicContact CE1-CD1 4.27Å; F402-Y473 AromaticContact CE2-CD1 3.35Å; F402-Y473 HydrophobicContact CE2-CD1 3.35Å; F402-Y473 HydrophobicContact CE2-CE1 4.08Å; F402-Y473 HydrophobicContact CE2-CG 4.01Å; F402-Y473 HydrophobicContact CG-CD1 4.14Å; F402-Y473 HydrophobicContact CG-CE1 4.35Å; F402-Y473 AromaticContact CZ-CD1 3.71Å; F402-Y473 HydrophobicContact CZ-CD1 3.71Å; F402-Y473 HydrophobicContact CZ-CG 4.27Å; F402-Y473 WeakPolarHBondContact CZ-O 3.35Å; F402-K476 HydrophobicContact CD1-CB 4.21Å; F402-K476 HydrophobicContact CD1-CD 4.03Å; F402-K476 HydrophobicContact CE1-CB 3.7Å; F402-K476 HydrophobicContact CE1-CD 4.08Å; F402-M477 HydrophobicContact CE1-CE 4.34Å; F402-M477 HydrophobicContact CE1-CG 4.31Å; F402-M477 HydrophobicContact CE2-CE 4.26Å; F402-M477 HydrophobicContact CZ-CE 3.54Å; F402-M477 HydrophobicContact CZ-CG 4.34Å; F402-Y487 AromaticContact CD1-CE1 3.71Å; F402-Y487 HydrophobicContact CD1-CE1 3.71Å; F402-Y487 AromaticContact CD1-CZ 3.88Å; F402-Y487 HydrophobicContact CE1-CD1 4.39Å; F402-Y487 AromaticContact CE1-CE1 3.74Å; F402-Y487 HydrophobicContact CE1-CE1 3.74Å; F402-Y487 AromaticContact CE1-CZ 3.88Å; F402-Y487 HydrophobicContact CG-CE1 4.22Å; F402-Y487 HydrophobicContact CZ-CE1 4.27Å; F402-L490 HydrophobicContact CE2-CD2 3.85Å; F402-L490 HydrophobicContact CZ-CD2 4.33Å
403S84.6Confident83.3Confident69 Ų6938.9 Ų38.948%0.48319%0.193SC..THydrogen-bonded Turntrans-92.14179-52.40000112.6K254 E399 G400 V401 K405K254-S403 PolarHBondContact NZ-O 2.94Å; E399-S403 WeakPolarHBondContact O-CB 3.44Å; E399-S403 PolarHBondContact O-N 2.65Å; E399-S403 PolarHBondContact O-OG 3.26Å; G400-S403 PolarHBondContact O-N 3.16Å; V401-S403 VanDerWaalsContact C-N 3.32Å; V401-S403 PolarHBondContact O-N 3.14Å; S403-K405 VanDerWaalsContact C-N 3.26Å; S403-K405 PolarHBondContact O-N 3.01Å
404H78.9Confident82Confident76 Ų7642.9 Ų42.935%0.35222%0.221SC..THydrogen-bonded Turntrans47.847.8-171.4-67.6-97000112.3K254 G400 V401 F402 T486K254-H404 WeakPolarHBondContact CE-O 3.32Å; K254-H404 PolarHBondContact NZ-O 3.45Å; G400-H404 CarbonylContact O-C 3.57Å; G400-H404 WeakPolarHBondContact O-CA 3.43Å; G400-H404 PolarHBondContact O-N 3.02Å; V401-H404 PolarHBondContact O-N 3.14Å; F402-H404 VanDerWaalsContact C-N 3.34Å; H404-T486 WeakPolarHBondContact CE1-CG2 3.12Å
405K81.7Confident80.4Confident63 Ų6346.7 Ų46.727%0.27425%0.247SC..  trans-120.6115.5-177.7-176.3178.3177.1179.90109.2G400 S403 D407 F408 D412 Q447G400-K405 CarbonylContact C-O 3.46Å; G400-K405 VanDerWaalsContact CA-O 3.25Å; G400-K405 WeakPolarHBondContact CA-O 3.33Å; G400-K405 PolarHBondContact O-N 3.05Å; S403-K405 VanDerWaalsContact C-N 3.26Å; S403-K405 PolarHBondContact O-N 3.01Å; K405-D407 WeakPolarHBondContact CE-O 3.45Å; K405-D407 VanDerWaalsContact CG-O 3.27Å; K405-D407 WeakPolarHBondContact CG-O 3.45Å; K405-F408 HydrophobicContact CD-CD1 4.35Å; K405-F408 HydrophobicContact CG-CD1 4.48Å; K405-F408 HydrophobicContact CG-CE1 4.43Å; K405-D412 WeakPolarHBondContact CE-OD2 3.45Å; K405-D412 IonicContact NZ-OD1 3.1Å; K405-D412 PolarHBondContact NZ-OD1 3.35Å; K405-D412 IonicContact NZ-OD2 3.99Å; K405-D412 PolarHBondContact NZ-OD2 2.96Å; K405-Q447 PolarHBondContact O-NE2 3.42Å
406F80.5Confident78.9Confident29 Ų2946.8 Ų46.813%0.12725%0.248CC..  trans-114.9-6.6-178.2-50.9-75.3000112.7E252 K444E252-F406 HydrophobicContact CB-CD2 4.16Å; E252-F406 HydrophobicContact CB-CE2 4.23Å; E252-F406 HydrophobicContact CG-CD2 4Å; E252-F406 HydrophobicContact CG-CE2 4.04Å; F406-K444 HydrophobicContact CD1-CG 4.23Å; F406-K444 HydrophobicContact CE1-CD 4.11Å; F406-K444 HydrophobicContact CE1-CG 4Å; F406-K444 HydrophobicContact CZ-CD 4.31Å
407D78.7Confident77.7Confident30 Ų3049.7 Ų49.716%0.1626%0.264CS..SBendtrans-116.7127.8171.7-86.9-5.3000108.6K405 K438K405-D407 WeakPolarHBondContact CE-O 3.45Å; K405-D407 VanDerWaalsContact CG-O 3.27Å; K405-D407 WeakPolarHBondContact CG-O 3.45Å; D407-K438 HydrophobicContact CB-CD 4.37Å; D407-K438 IonicContact OD2-NZ 3.71Å; D407-K438 PolarHBondContact OD2-NZ 2.9Å; D407-K438 VanDerWaalsContact OD2-NZ 3.09Å
408F80.4Confident76.5Confident3 Ų351.8 Ų51.81%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-111.9148.8179.2-51.1-84.4000111.5L396 K405 D412 V413 K438 Y439 F441L396-F408 HydrophobicContact CD1-CD1 3.47Å; L396-F408 VanDerWaalsContact CD1-CD1 3.47Å; L396-F408 HydrophobicContact CD1-CE1 3.64Å; L396-F408 HydrophobicContact CD1-CG 4.2Å; L396-F408 HydrophobicContact CD2-CD1 4.15Å; L396-F408 HydrophobicContact CD2-CD2 4.32Å; L396-F408 HydrophobicContact CD2-CE1 4.35Å; L396-F408 HydrophobicContact CD2-CG 4.13Å; L396-F408 HydrophobicContact CG-CD1 3.78Å; L396-F408 HydrophobicContact CG-CE1 3.64Å; L396-F408 HydrophobicContact CG-CG 4.26Å; L396-F408 HydrophobicContact CG-CZ 4.03Å; K405-F408 HydrophobicContact CD-CD1 4.35Å; K405-F408 HydrophobicContact CG-CD1 4.48Å; K405-F408 HydrophobicContact CG-CE1 4.43Å; F408-D412 HydrophobicContact CB-CB 4.25Å; F408-V413 HydrophobicContact CB-CG2 4.36Å; F408-K438 WeakPolarHBondContact O-CA 3.43Å; F408-Y439 PolarHBondContact N-O 2.75Å; F408-Y439 PolarHBondContact O-N 2.95Å; F408-F441 AromaticContact CE2-CD2 3.91Å; F408-F441 HydrophobicContact CE2-CD2 3.91Å; F408-F441 AromaticContact CE2-CE2 3.68Å; F408-F441 HydrophobicContact CE2-CE2 3.68Å; F408-F441 HydrophobicContact CZ-CE2 4.13Å
409K79.6Confident75.1Confident116 Ų11658.1 Ų58.150%0.50430%0.303SS..EExtended strand (participates in β ladder)trans-102.1166.6176.3-61.8177.8-178.6174.30109.8E411 D412 V413K409-E411 PolarHBondContact O-N 3.43Å; K409-D412 WeakPolarHBondContact CB-OD2 3.37Å; K409-D412 PolarHBondContact N-OD2 3.16Å; K409-D412 WeakPolarHBondContact O-CB 3.08Å; K409-D412 PolarHBondContact O-N 3.15Å; K409-V413 PolarHBondContact O-N 3.36Å
410L73.4Confident74.1Confident81 Ų8153.6 Ų53.642%0.42428%0.282SS..Hα-helixtrans-54.3-40.9176.9-175.867.3000112.8D412 V413 S414 E418 Y439L410-D412 PolarHBondContact O-N 2.99Å; L410-V413 CarbonylContact O-C 3.6Å; L410-V413 PolarHBondContact O-N 3.46Å; L410-S414 WeakPolarHBondContact O-CA 3.23Å; L410-S414 VanDerWaalsContact O-CB 3.26Å; L410-S414 WeakPolarHBondContact O-CB 3.37Å; L410-S414 PolarHBondContact O-N 2.91Å; L410-E418 WeakPolarHBondContact CD1-OE2 3.48Å; L410-Y439 HydrophobicContact CB-CE2 4.32Å; L410-Y439 HydrophobicContact CD1-CE2 4.37Å; L410-Y439 WeakPolarHBondContact CD1-OH 3.37Å
411E78.1Confident73.4Confident132 Ų13253.6 Ų53.662%0.61728%0.282SS*.Hα-helixtrans-56.3-36.5177.2-67.2155-148.100112K409 V413 S414K409-E411 PolarHBondContact O-N 3.43Å; E411-V413 VanDerWaalsContact C-N 3.32Å; E411-V413 PolarHBondContact O-N 2.85Å; E411-S414 PolarHBondContact O-OG 3.28Å
412D73.2Confident72.7Confident48 Ų4855.1 Ų55.126%0.25729%0.29SS..Hα-helixtrans-73.3-24179.5-52.4-63000112.9L396 K405 F408 K409 L410L396-D412 HydrophobicContact CD1-CB 4.16Å; K405-D412 WeakPolarHBondContact CE-OD2 3.45Å; K405-D412 IonicContact NZ-OD1 3.1Å; K405-D412 PolarHBondContact NZ-OD1 3.35Å; K405-D412 IonicContact NZ-OD2 3.99Å; K405-D412 PolarHBondContact NZ-OD2 2.96Å; F408-D412 HydrophobicContact CB-CB 4.25Å; K409-D412 WeakPolarHBondContact CB-OD2 3.37Å; K409-D412 PolarHBondContact N-OD2 3.16Å; K409-D412 WeakPolarHBondContact O-CB 3.08Å; K409-D412 PolarHBondContact O-N 3.15Å; L410-D412 PolarHBondContact O-N 2.99Å
413V68.4Low71.8Confident1 Ų155.5 Ų55.51%0.00629%0.294CS..Hα-helixtrans-106.3-8.7-176-169.80000111.7L396 F408 K409 L410 E411 S415 V416 E418 Y439L396-V413 HydrophobicContact CD2-CG2 4.29Å; F408-V413 HydrophobicContact CB-CG2 4.36Å; K409-V413 PolarHBondContact O-N 3.36Å; L410-V413 CarbonylContact O-C 3.6Å; L410-V413 PolarHBondContact O-N 3.46Å; E411-V413 VanDerWaalsContact C-N 3.32Å; E411-V413 PolarHBondContact O-N 2.85Å; V413-S415 PolarHBondContact O-N 3.48Å; V413-V416 WeakPolarHBondContact O-CB 3.34Å; V413-V416 PolarHBondContact O-N 2.83Å; V413-V416 VanDerWaalsContact O-N 3.11Å; V413-E418 HydrophobicContact CG1-CB 4.28Å; V413-E418 HydrophobicContact CG1-CG 4.26Å; V413-Y439 HydrophobicContact CG2-CD2 3.89Å; V413-Y439 HydrophobicContact CG2-CE2 4.46Å; V413-Y439 HydrophobicContact CG2-CG 4Å
414S60.8Low71.1Confident83 Ų8352.2 Ų52.258%0.5827%0.271SS*.THydrogen-bonded Turntrans-68-15.4-171.163.80000115.4L410 E411 V416L410-S414 WeakPolarHBondContact O-CA 3.23Å; L410-S414 VanDerWaalsContact O-CB 3.26Å; L410-S414 WeakPolarHBondContact O-CB 3.37Å; L410-S414 PolarHBondContact O-N 2.91Å; E411-S414 PolarHBondContact O-OG 3.28Å; S414-V416 PolarHBondContact O-N 2.86Å
415S58.2Low70.6Confident84 Ų8448.9 Ų48.959%0.58726%0.258SS*.THydrogen-bonded Turntrans-79.60.3174.254.90000113.2H392 V413H392-S415 PolarHBondContact CE1-OG 3.17Å; H392-S415 PolarHBondContact NE2-OG 3.19Å; V413-S415 PolarHBondContact O-N 3.48Å
416V59.2Low70.4Confident25 Ų2545.9 Ų45.915%0.15225%0.245CC..SBendtrans-123.1161.7-174.3-162.90000111.1H392 V413 S414 E418 L421H392-V416 HydrophobicContact CB-CG2 3.98Å; H392-V416 WeakPolarHBondContact CD2-CG2 3.17Å; H392-V416 WeakPolarHBondContact NE2-CG2 3.36Å; V413-V416 WeakPolarHBondContact O-CB 3.34Å; V413-V416 PolarHBondContact O-N 2.83Å; V413-V416 VanDerWaalsContact O-N 3.11Å; S414-V416 PolarHBondContact O-N 2.86Å; V416-E418 PolarHBondContact O-N 3.43Å; V416-L421 HydrophobicContact CG1-CD1 4.15Å; V416-L421 HydrophobicContact CG1-CG 4.33Å
417N63.6Low70.3Confident73 Ų7344.6 Ų44.639%0.3924%0.239SC..  trans-69.884.5156-163.2-10.5000109.5E419 V420N417-E419 PolarHBondContact O-N 3.36Å; N417-E419 WeakPolarHBondContact OD1-CB 3.45Å; N417-V420 HydrophobicContact CB-CB 4.47Å; N417-V420 HydrophobicContact CB-CG2 3.85Å; N417-V420 WeakPolarHBondContact O-CB 3.36Å; N417-V420 PolarHBondContact O-N 2.78Å
418E65.4Low70Confident43 Ų4343.6 Ų43.620%0.20123%0.234CC..Hα-helixtrans-41.9-39.2176.9178.6-168.1156.600112L410 V413 V416 V420 L421 L422 K429 Y439L410-E418 WeakPolarHBondContact CD1-OE2 3.48Å; V413-E418 HydrophobicContact CG1-CB 4.28Å; V413-E418 HydrophobicContact CG1-CG 4.26Å; V416-E418 PolarHBondContact O-N 3.43Å; E418-V420 VanDerWaalsContact C-N 3.28Å; E418-V420 PolarHBondContact O-N 2.68Å; E418-L421 PolarHBondContact O-N 3.01Å; E418-L422 HydrophobicContact CG-CD1 3.92Å; E418-L422 HydrophobicContact CG-CG 4.42Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.13Å; E418-K429 IonicContact OE1-NZ 2.82Å; E418-K429 PolarHBondContact OE1-NZ 3.43Å; E418-Y439 HydrophobicContact CG-CE1 3.75Å; E418-Y439 WeakPolarHBondContact OE1-CE1 3.46Å; E418-Y439 VanDerWaalsContact OE1-CZ 3.23Å; E418-Y439 PolarHBondContact OE1-OH 3.48Å; E418-Y439 PolarHBondContact OE2-OH 2.98Å
419E63.8Low69.7Low134 Ų13447.3 Ų47.363%0.62625%0.251SS*.Hα-helixtrans-59.6-36.5-180-165.4174.8-175.600112.1N417 T423N417-E419 PolarHBondContact O-N 3.36Å; N417-E419 WeakPolarHBondContact OD1-CB 3.45Å; E419-T423 HydrophobicContact CG-CG2 4.05Å; E419-T423 VanDerWaalsContact O-CB 3.22Å; E419-T423 WeakPolarHBondContact O-CB 3.45Å; E419-T423 WeakPolarHBondContact O-CG2 3.33Å; E419-T423 PolarHBondContact O-N 3.42Å; E419-T423 PolarHBondContact O-OG1 3.22Å
420V68.8Low69Low3 Ų344.6 Ų44.62%0.01824%0.238CC..Hα-helixtrans-65.6-46.1179.4176.20000111.2V381 F386 N417 E418 L422 T423 T424V381-V420 HydrophobicContact CG2-CG2 4.16Å; F386-V420 HydrophobicContact CD2-CG1 3.64Å; F386-V420 HydrophobicContact CE2-CG1 3.8Å; N417-V420 HydrophobicContact CB-CB 4.47Å; N417-V420 HydrophobicContact CB-CG2 3.85Å; N417-V420 WeakPolarHBondContact O-CB 3.36Å; N417-V420 PolarHBondContact O-N 2.78Å; E418-V420 VanDerWaalsContact C-N 3.28Å; E418-V420 PolarHBondContact O-N 2.68Å; V420-L422 PolarHBondContact O-N 3.34Å; V420-T423 WeakPolarHBondContact CA-OG1 3.45Å; V420-T423 PolarHBondContact O-N 3.19Å; V420-T423 PolarHBondContact O-OG1 3.13Å; V420-T424 VanDerWaalsContact O-CB 3.28Å; V420-T424 WeakPolarHBondContact O-CB 3.41Å; V420-T424 PolarHBondContact O-N 3.31Å; V420-T424 PolarHBondContact O-OG1 2.87Å
421L72.8Confident68Low1 Ų145.2 Ų45.21%0.00525%0.245CC..Hα-helixtrans-69.8-35.4-177-60.9-176.5000112.8C393 V416 E418 G425 L426 L427C393-L421 HydrophobicContact CB-CD1 3.91Å; C393-L421 HydrophobicContact CB-CD2 3.63Å; C393-L421 HydrophobicContact CB-CG 4.43Å; V416-L421 HydrophobicContact CG1-CD1 4.15Å; V416-L421 HydrophobicContact CG1-CG 4.33Å; E418-L421 PolarHBondContact O-N 3.01Å; L421-G425 PolarHBondContact O-N 3.39Å; L421-L426 PolarHBondContact O-N 3.43Å; L421-L427 HydrophobicContact CB-CD1 4.1Å; L421-L427 HydrophobicContact CD1-CD1 3.83Å; L421-L427 PolarHBondContact O-N 3.46Å
422L70Confident66.3Low36 Ų3643.5 Ų43.519%0.18825%0.253CS..Hα-helixtrans-71.3-47.8173.9-63.8178.2000111.4E418 V420 T424 G425 L427 K429 Y439E418-L422 HydrophobicContact CG-CD1 3.92Å; E418-L422 HydrophobicContact CG-CG 4.42Å; E418-L422 WeakPolarHBondContact O-CG 3.49Å; E418-L422 PolarHBondContact O-N 3.13Å; V420-L422 PolarHBondContact O-N 3.34Å; L422-T424 VanDerWaalsContact C-N 3.25Å; L422-T424 PolarHBondContact O-N 3.02Å; L422-G425 PolarHBondContact O-N 3.5Å; L422-L427 HydrophobicContact CD2-CB 4.28Å; L422-L427 VanDerWaalsContact CD2-O 3.29Å; L422-L427 WeakPolarHBondContact CD2-O 3.35Å; L422-K429 HydrophobicContact CD1-CB 4.18Å; L422-K429 HydrophobicContact CD1-CD 3.9Å; L422-K429 HydrophobicContact CD2-CB 3.78Å; L422-Y439 HydrophobicContact CD1-CE1 4.2Å; L422-Y439 HydrophobicContact CD2-CD1 4.09Å; L422-Y439 HydrophobicContact CD2-CE1 4.36Å
423T67.5Low65Low35 Ų3548.1 Ų48.122%0.21527%0.273CS..Hα-helixtrans-66.4-27.318053.40000113N374 K377 H378 E419 V420 G425N374-T423 WeakPolarHBondContact CB-O 3.49Å; K377-T423 WeakPolarHBondContact CD-O 3.34Å; H378-T423 PolarHBondContact CE1-OG1 3.22Å; H378-T423 PolarHBondContact ND1-OG1 3.28Å; E419-T423 HydrophobicContact CG-CG2 4.05Å; E419-T423 VanDerWaalsContact O-CB 3.22Å; E419-T423 WeakPolarHBondContact O-CB 3.45Å; E419-T423 WeakPolarHBondContact O-CG2 3.33Å; E419-T423 PolarHBondContact O-N 3.42Å; E419-T423 PolarHBondContact O-OG1 3.22Å; V420-T423 WeakPolarHBondContact CA-OG1 3.45Å; V420-T423 PolarHBondContact O-N 3.19Å; V420-T423 PolarHBondContact O-OG1 3.13Å; T423-G425 VanDerWaalsContact C-N 3.29Å
424T69.4Low64.1Low0 Ų052.3 Ų52.30%029%0.289CS..THydrogen-bonded Turntrans-74.7-19.5173.1-48.80000112I371 N374 H378 V420 L422 L426I371-T424 HydrophobicContact CG1-CG2 3.84Å; N374-T424 PolarHBondContact ND2-O 2.95Å; H378-T424 PolarHBondContact CE1-OG1 3.1Å; H378-T424 PolarHBondContact NE2-OG1 2.88Å; V420-T424 VanDerWaalsContact O-CB 3.28Å; V420-T424 WeakPolarHBondContact O-CB 3.41Å; V420-T424 PolarHBondContact O-N 3.31Å; V420-T424 PolarHBondContact O-OG1 2.87Å; L422-T424 VanDerWaalsContact C-N 3.25Å; L422-T424 PolarHBondContact O-N 3.02Å; T424-L426 HydrophobicContact CG2-CD1 4.09Å; T424-L426 HydrophobicContact CG2-CG 3.91Å
425G68.4Low63.5Low6 Ų659.2 Ų59.26%0.06231%0.309CS..THydrogen-bonded Turntrans79.115-176.800000114.5L421 L422 T423L421-G425 PolarHBondContact O-N 3.39Å; L422-G425 PolarHBondContact O-N 3.5Å; T423-G425 VanDerWaalsContact C-N 3.29Å
426L77.8Confident63.5Low1 Ų162.3 Ų62.31%0.00531%0.311CS..SBendtrans-78.7-32.9178.2-66.4179.5000112.2Y367 L370 L390 L421 T424 F441 F446Y367-L426 HydrophobicContact CD2-CD2 3.6Å; Y367-L426 HydrophobicContact CE2-CD1 3.93Å; Y367-L426 HydrophobicContact CE2-CD2 3.37Å; Y367-L426 HydrophobicContact CE2-CG 4.3Å; Y367-L426 HydrophobicContact CG-CD2 4.44Å; L370-L426 HydrophobicContact CD1-CD2 4.13Å; L390-L426 HydrophobicContact CD2-CD1 3.5Å; L421-L426 PolarHBondContact O-N 3.43Å; T424-L426 HydrophobicContact CG2-CD1 4.09Å; T424-L426 HydrophobicContact CG2-CG 3.91Å; L426-F441 VanDerWaalsContact O-CD1 3.25Å; L426-F441 WeakPolarHBondContact O-CD1 3.38Å; L426-F446 HydrophobicContact CD2-CE1 4.1Å; L426-F446 HydrophobicContact CD2-CZ 3.84Å
427L78.7Confident63.7Low1 Ų163 Ų631%0.00532%0.316CS..SBendtrans-120.9142.5174.2-76.9172.3000109.8L396 L421 L422 F441L396-L427 HydrophobicContact CD2-CD1 4.13Å; L421-L427 HydrophobicContact CB-CD1 4.1Å; L421-L427 HydrophobicContact CD1-CD1 3.83Å; L421-L427 PolarHBondContact O-N 3.46Å; L422-L427 HydrophobicContact CD2-CB 4.28Å; L422-L427 VanDerWaalsContact CD2-O 3.29Å; L422-L427 WeakPolarHBondContact CD2-O 3.35Å; L427-F441 HydrophobicContact CD2-CD1 4.06Å; L427-F441 HydrophobicContact CD2-CD2 3.92Å; L427-F441 HydrophobicContact CD2-CE1 3.97Å; L427-F441 HydrophobicContact CD2-CE2 3.81Å; L427-F441 HydrophobicContact CD2-CG 4.04Å; L427-F441 HydrophobicContact CD2-CZ 3.84Å; L427-F441 HydrophobicContact CG-CE1 4.44Å; L427-F441 HydrophobicContact CG-CZ 4.5Å
428C73.2Confident64.1Low9 Ų961.9 Ų61.96%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-104.8136.7173-57.20000109.7Y430 Y439 K440C428-Y430 HydrophobicContact CB-CD2 4.44Å; C428-Y430 HydrophobicContact CB-CE2 3.64Å; C428-Y439 WeakPolarHBondContact O-CA 3.16Å; C428-K440 PolarHBondContact N-O 3.48Å; C428-K440 PolarHBondContact O-N 2.81Å
429K74.1Confident64.6Low82 Ų8259.9 Ų59.936%0.35730%0.299SS..EExtended strand (participates in β ladder)trans-99.2126.4176.3-174174.4-1741610110.2E418 L422 T431 P437 Y439E418-K429 IonicContact OE1-NZ 2.82Å; E418-K429 PolarHBondContact OE1-NZ 3.43Å; L422-K429 HydrophobicContact CD1-CB 4.18Å; L422-K429 HydrophobicContact CD1-CD 3.9Å; L422-K429 HydrophobicContact CD2-CB 3.78Å; K429-T431 HydrophobicContact CG-CG2 4.24Å; K429-P437 HydrophobicContact CG-CB 4.39Å; K429-Y439 HydrophobicContact CB-CD1 4.4Å; K429-Y439 HydrophobicContact CB-CE1 4.35Å; K429-Y439 HydrophobicContact CD-CE1 4.04Å; K429-Y439 HydrophobicContact CG-CD1 4.44Å; K429-Y439 HydrophobicContact CG-CE1 4.03Å
430Y64.5Low65.4Low59 Ų5955.1 Ų55.123%0.23128%0.276CS..EExtended strand (participates in β ladder)trans-112121.6175.4-68.7-88.2000110.4C428 K438 K440C428-Y430 HydrophobicContact CB-CD2 4.44Å; C428-Y430 HydrophobicContact CB-CE2 3.64Å; Y430-K438 PolarHBondContact N-O 3.22Å; Y430-K438 PolarHBondContact O-N 3.42Å; Y430-K440 HydrophobicContact CD2-CD 3.71Å; Y430-K440 HydrophobicContact CD2-CG 3.74Å; Y430-K440 HydrophobicContact CE2-CD 3.33Å; Y430-K440 HydrophobicContact CE2-CG 3.4Å; Y430-K440 VanDerWaalsContact CE2-NZ 3.26Å; Y430-K440 VanDerWaalsContact CZ-CE 3.41Å; Y430-K440 VanDerWaalsContact OH-CE 3.29Å; Y430-K440 WeakPolarHBondContact OH-CE 3.38Å; Y430-K440 PolarHBondContact OH-NZ 3.44Å
431T51.8Low66.1Low93 Ų9355.4 Ų55.457%0.57128%0.277SS*.  trans-115.4-16.5-177.847.40000113.5K429 Q433K429-T431 HydrophobicContact CG-CG2 4.24Å; T431-Q433 VanDerWaalsContact C-N 3.33Å; T431-Q433 PolarHBondContact O-N 3.33Å
432A43.6Very low66.4Low96 Ų9656.4 Ų56.479%0.79328%0.281SS*.THydrogen-bonded Turntrans-69.3-8.2-153.700000118.3
433Q45.7Very low67Low145 Ų14557.3 Ų57.368%0.67828%0.284SS*.THydrogen-bonded Turntrans-150.513-177.8-68.2-179.9-26.200115T431T431-Q433 VanDerWaalsContact C-N 3.33Å; T431-Q433 PolarHBondContact O-N 3.33Å
434R47.9Very low67.7Low90 Ų9057 Ų5734%0.3428%0.28SS..  trans-134.7141.2-175.8-73.8-172.9165.1154-6.6111.9D218 K436D218-R434 IonicContact OD2-NH2 2.75Å; R434-K436 PolarHBondContact O-N 2.94Å
435F49.8Very low68.5Low228 Ų22857.1 Ų57.1100%128%0.281SS*.SBendtrans-59.6-7.8174.8-70.4-81.1000114.5
436K56.8Low69.4Low148 Ų14856.8 Ų56.864%0.64328%0.278SS*.SBendtrans-136.9137.9176.3-65.9-172.6176.7-171.70111.4R434R434-K436 PolarHBondContact O-N 2.94Å
437P63.9Low70Confident39 Ų3956.9 Ų56.925%0.25328%0.278SS..  trans-65.9142.8178.327.9-34000111.4K429 Y439K429-P437 HydrophobicContact CG-CB 4.39Å; P437-Y439 HydrophobicContact CB-CE2 4.35Å; P437-Y439 HydrophobicContact CG-CE2 4.44Å
438K71.5Confident70.6Confident50 Ų5057.1 Ų57.122%0.21728%0.279CS..EExtended strand (participates in β ladder)trans-118.3143.1170.2-72.5-163.5172.3-162.40110.9D407 F408 Y430D407-K438 HydrophobicContact CB-CD 4.37Å; D407-K438 IonicContact OD2-NZ 3.71Å; D407-K438 PolarHBondContact OD2-NZ 2.9Å; D407-K438 VanDerWaalsContact OD2-NZ 3.09Å; F408-K438 WeakPolarHBondContact O-CA 3.43Å; Y430-K438 PolarHBondContact N-O 3.22Å; Y430-K438 PolarHBondContact O-N 3.42Å
439Y77.1Confident71.6Confident1 Ų156.7 Ų56.70%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-112.6140.6179.3-51.6-96.4000109F408 L410 V413 E418 L422 C428 K429 P437F408-Y439 PolarHBondContact N-O 2.75Å; F408-Y439 PolarHBondContact O-N 2.95Å; L410-Y439 HydrophobicContact CB-CE2 4.32Å; L410-Y439 HydrophobicContact CD1-CE2 4.37Å; L410-Y439 WeakPolarHBondContact CD1-OH 3.37Å; V413-Y439 HydrophobicContact CG2-CD2 3.89Å; V413-Y439 HydrophobicContact CG2-CE2 4.46Å; V413-Y439 HydrophobicContact CG2-CG 4Å; E418-Y439 HydrophobicContact CG-CE1 3.75Å; E418-Y439 WeakPolarHBondContact OE1-CE1 3.46Å; E418-Y439 VanDerWaalsContact OE1-CZ 3.23Å; E418-Y439 PolarHBondContact OE1-OH 3.48Å; E418-Y439 PolarHBondContact OE2-OH 2.98Å; L422-Y439 HydrophobicContact CD1-CE1 4.2Å; L422-Y439 HydrophobicContact CD2-CD1 4.09Å; L422-Y439 HydrophobicContact CD2-CE1 4.36Å; C428-Y439 WeakPolarHBondContact O-CA 3.16Å; K429-Y439 HydrophobicContact CB-CD1 4.4Å; K429-Y439 HydrophobicContact CB-CE1 4.35Å; K429-Y439 HydrophobicContact CD-CE1 4.04Å; K429-Y439 HydrophobicContact CG-CD1 4.44Å; K429-Y439 HydrophobicContact CG-CE1 4.03Å; P437-Y439 HydrophobicContact CB-CE2 4.35Å; P437-Y439 HydrophobicContact CG-CE2 4.44Å
440K79.4Confident72.5Confident35 Ų3553 Ų5315%0.15226%0.26CS..EExtended strand (participates in β ladder)trans-152157.3175.467.3-180-141.6-150.30110.7C428 Y430C428-K440 PolarHBondContact N-O 3.48Å; C428-K440 PolarHBondContact O-N 2.81Å; Y430-K440 HydrophobicContact CD2-CD 3.71Å; Y430-K440 HydrophobicContact CD2-CG 3.74Å; Y430-K440 HydrophobicContact CE2-CD 3.33Å; Y430-K440 HydrophobicContact CE2-CG 3.4Å; Y430-K440 VanDerWaalsContact CE2-NZ 3.26Å; Y430-K440 VanDerWaalsContact CZ-CE 3.41Å; Y430-K440 VanDerWaalsContact OH-CE 3.29Å; Y430-K440 WeakPolarHBondContact OH-CE 3.38Å; Y430-K440 PolarHBondContact OH-NZ 3.44Å
441F85.3Confident74Confident8 Ų850.1 Ų50.14%0.03525%0.249CC..  trans-71.3153.7162.8-63.1-87000109.4A397 F408 L426 L427 H443 F446 Q447 T450A397-F441 HydrophobicContact CB-CE2 4.02Å; A397-F441 HydrophobicContact CB-CZ 3.73Å; F408-F441 AromaticContact CE2-CD2 3.91Å; F408-F441 HydrophobicContact CE2-CD2 3.91Å; F408-F441 AromaticContact CE2-CE2 3.68Å; F408-F441 HydrophobicContact CE2-CE2 3.68Å; F408-F441 HydrophobicContact CZ-CE2 4.13Å; L426-F441 VanDerWaalsContact O-CD1 3.25Å; L426-F441 WeakPolarHBondContact O-CD1 3.38Å; L427-F441 HydrophobicContact CD2-CD1 4.06Å; L427-F441 HydrophobicContact CD2-CD2 3.92Å; L427-F441 HydrophobicContact CD2-CE1 3.97Å; L427-F441 HydrophobicContact CD2-CE2 3.81Å; L427-F441 HydrophobicContact CD2-CG 4.04Å; L427-F441 HydrophobicContact CD2-CZ 3.84Å; L427-F441 HydrophobicContact CG-CE1 4.44Å; L427-F441 HydrophobicContact CG-CZ 4.5Å; F441-H443 PolarHBondContact O-N 3.08Å; F441-F446 HydrophobicContact CB-CD1 4.36Å; F441-F446 AromaticContact CD1-CD1 3.75Å; F441-F446 HydrophobicContact CD1-CD1 3.75Å; F441-F446 HydrophobicContact CD1-CE1 4.11Å; F441-F446 HydrophobicContact CG-CD1 4.49Å; F441-Q447 HydrophobicContact CB-CB 4.03Å; F441-Q447 HydrophobicContact CD2-CB 3.47Å; F441-Q447 VanDerWaalsContact CD2-CB 3.47Å; F441-Q447 HydrophobicContact CD2-CG 3.51Å; F441-Q447 HydrophobicContact CE2-CB 4.05Å; F441-Q447 HydrophobicContact CE2-CG 3.65Å; F441-Q447 HydrophobicContact CG-CB 3.74Å; F441-Q447 HydrophobicContact CG-CG 4.28Å; F441-Q447 HydrophobicContact CZ-CG 4.49Å; F441-T450 HydrophobicContact CE1-CG2 4.3Å
442F77.5Confident76.1Confident22 Ų2245.7 Ų45.710%0.09622%0.222CC..SBendtrans-62.6-29.4-17962.5-98.2000112.6P119 L120 F366 F446P119-F442 WeakPolarHBondContact O-CD2 3.43Å; L120-F442 VanDerWaalsContact C-CB 3.44Å; L120-F442 HydrophobicContact CD2-CD2 3.93Å; L120-F442 HydrophobicContact CD2-CE2 3.63Å; L120-F442 HydrophobicContact CD2-CZ 4.21Å; F366-F442 HydrophobicContact CD1-CZ 4.37Å; F366-F442 AromaticContact CE1-CE1 3.64Å; F366-F442 HydrophobicContact CE1-CE1 3.64Å; F366-F442 AromaticContact CE1-CZ 3.65Å; F366-F442 HydrophobicContact CE1-CZ 3.65Å; F366-F442 HydrophobicContact CZ-CE1 4.39Å; F366-F442 HydrophobicContact CZ-CZ 4.45Å; F442-F446 HydrophobicContact CD1-CB 4.34Å; F442-F446 AromaticContact CD1-CD1 3.71Å; F442-F446 HydrophobicContact CD1-CD1 3.71Å; F442-F446 HydrophobicContact CD1-CE1 4.15Å; F442-F446 HydrophobicContact CD1-CG 4.04Å; F442-F446 HydrophobicContact CD2-CB 4.47Å; F442-F446 HydrophobicContact CE1-CB 3.66Å; F442-F446 AromaticContact CE1-CD1 3.14Å; F442-F446 HydrophobicContact CE1-CD1 3.14Å; F442-F446 AromaticContact CE1-CD2 3.56Å; F442-F446 HydrophobicContact CE1-CD2 3.56Å; F442-F446 AromaticContact CE1-CE1 3.53Å; F442-F446 HydrophobicContact CE1-CE1 3.53Å; F442-F446 AromaticContact CE1-CE2 3.9Å; F442-F446 HydrophobicContact CE1-CE2 3.9Å; F442-F446 AromaticContact CE1-CG 3.15Å; F442-F446 HydrophobicContact CE1-CG 3.15Å; F442-F446 AromaticContact CE1-CZ 3.87Å; F442-F446 HydrophobicContact CE1-CZ 3.87Å; F442-F446 HydrophobicContact CE2-CB 3.81Å; F442-F446 HydrophobicContact CE2-CG 4.18Å; F442-F446 HydrophobicContact CZ-CB 3.36Å; F442-F446 AromaticContact CZ-CD1 3.79Å; F442-F446 HydrophobicContact CZ-CD1 3.79Å; F442-F446 AromaticContact CZ-CD2 3.44Å; F442-F446 HydrophobicContact CZ-CD2 3.44Å; F442-F446 VanDerWaalsContact CZ-CD2 3.44Å; F442-F446 HydrophobicContact CZ-CE1 4.4Å; F442-F446 HydrophobicContact CZ-CE2 4.1Å; F442-F446 AromaticContact CZ-CG 3.24Å; F442-F446 HydrophobicContact CZ-CG 3.24Å
443H82.9Confident78.5Confident55 Ų5544.7 Ų44.726%0.25520%0.198SC..SBendtrans-149.8149.2176.7-170.6-95.5000111.7S171 L339 F441 S445 F446 Q447S171-H443 PolarHBondContact OG-CE1 2.83Å; L339-H443 WeakPolarHBondContact CD2-ND1 3.39Å; F441-H443 PolarHBondContact O-N 3.08Å; H443-S445 VanDerWaalsContact C-N 3.32Å; H443-S445 WeakPolarHBondContact ND1-CB 3.42Å; H443-S445 PolarHBondContact ND1-N 3.31Å; H443-S445 VanDerWaalsContact ND1-N 3.11Å; H443-S445 PolarHBondContact O-N 3.09Å; H443-F446 WeakPolarHBondContact O-CB 3.42Å; H443-F446 PolarHBondContact O-N 3.28Å; H443-Q447 PolarHBondContact O-N 2.73Å
444K82.7Confident80.9Confident29 Ų2938.7 Ų38.713%0.12617%0.169CC..Hα-helixtrans-52.7-45.7178.6177.4178168.4-176.10112.6N251 E252 F406 F446 Q447 E448N251-K444 PolarHBondContact ND2-NZ 3.4Å; N251-K444 PolarHBondContact O-NZ 3.26Å; E252-K444 HydrophobicContact CG-CD 3.9Å; F406-K444 HydrophobicContact CD1-CG 4.23Å; F406-K444 HydrophobicContact CE1-CD 4.11Å; F406-K444 HydrophobicContact CE1-CG 4Å; F406-K444 HydrophobicContact CZ-CD 4.31Å; K444-F446 PolarHBondContact O-N 3.02Å; K444-Q447 WeakPolarHBondContact O-CA 3.39Å; K444-Q447 WeakPolarHBondContact O-CB 3.47Å; K444-Q447 PolarHBondContact O-N 3.03Å; K444-E448 WeakPolarHBondContact CE-OE1 3.45Å; K444-E448 HydrophobicContact CG-CG 4.35Å; K444-E448 IonicContact NZ-OE1 2.79Å; K444-E448 WeakPolarHBondContact O-CG 3.42Å; K444-E448 PolarHBondContact O-N 2.93Å
445S86.1Confident83.2Confident2 Ų234.4 Ų34.41%0.01415%0.153CC..Hα-helixtrans-61-28178-62.50000114.3S171 H443 Y449S171-S445 WeakPolarHBondContact CB-OG 3.35Å; S171-S445 PolarHBondContact OG-OG 2.81Å; H443-S445 VanDerWaalsContact C-N 3.32Å; H443-S445 WeakPolarHBondContact ND1-CB 3.42Å; H443-S445 PolarHBondContact ND1-N 3.31Å; H443-S445 VanDerWaalsContact ND1-N 3.11Å; H443-S445 PolarHBondContact O-N 3.09Å; S445-Y449 WeakPolarHBondContact O-CB 3.36Å; S445-Y449 PolarHBondContact O-N 3.34Å
446F88.1Confident85.4Confident0 Ų023.8 Ų23.80%011%0.107CC..Hα-helixtrans-75.9-35.4175.1-171.5-111.1000111.9F363 F366 Y367 L370 L426 F441 F442 H443 K444 Y449 T450F363-F446 AromaticContact CD1-CD2 3.73Å; F363-F446 HydrophobicContact CD1-CD2 3.73Å; F363-F446 HydrophobicContact CD1-CE2 4.39Å; F363-F446 HydrophobicContact CE1-CB 4.3Å; F363-F446 AromaticContact CE1-CD2 3.94Å; F363-F446 HydrophobicContact CE1-CD2 3.94Å; F366-F446 HydrophobicContact CD1-CD2 4.48Å; F366-F446 AromaticContact CD1-CE2 3.93Å; F366-F446 HydrophobicContact CD1-CE2 3.93Å; F366-F446 HydrophobicContact CE1-CE2 4.16Å; Y367-F446 HydrophobicContact CD2-CE2 4.16Å; Y367-F446 AromaticContact CD2-CZ 3.8Å; Y367-F446 HydrophobicContact CD2-CZ 3.8Å; Y367-F446 HydrophobicContact CE2-CZ 4.5Å; L370-F446 HydrophobicContact CD1-CZ 4.14Å; L426-F446 HydrophobicContact CD2-CE1 4.1Å; L426-F446 HydrophobicContact CD2-CZ 3.84Å; F441-F446 HydrophobicContact CB-CD1 4.36Å; F441-F446 AromaticContact CD1-CD1 3.75Å; F441-F446 HydrophobicContact CD1-CD1 3.75Å; F441-F446 HydrophobicContact CD1-CE1 4.11Å; F441-F446 HydrophobicContact CG-CD1 4.49Å; F442-F446 HydrophobicContact CD1-CB 4.34Å; F442-F446 AromaticContact CD1-CD1 3.71Å; F442-F446 HydrophobicContact CD1-CD1 3.71Å; F442-F446 HydrophobicContact CD1-CE1 4.15Å; F442-F446 HydrophobicContact CD1-CG 4.04Å; F442-F446 HydrophobicContact CD2-CB 4.47Å; F442-F446 HydrophobicContact CE1-CB 3.66Å; F442-F446 AromaticContact CE1-CD1 3.14Å; F442-F446 HydrophobicContact CE1-CD1 3.14Å; F442-F446 AromaticContact CE1-CD2 3.56Å; F442-F446 HydrophobicContact CE1-CD2 3.56Å; F442-F446 AromaticContact CE1-CE1 3.53Å; F442-F446 HydrophobicContact CE1-CE1 3.53Å; F442-F446 AromaticContact CE1-CE2 3.9Å; F442-F446 HydrophobicContact CE1-CE2 3.9Å; F442-F446 AromaticContact CE1-CG 3.15Å; F442-F446 HydrophobicContact CE1-CG 3.15Å; F442-F446 AromaticContact CE1-CZ 3.87Å; F442-F446 HydrophobicContact CE1-CZ 3.87Å; F442-F446 HydrophobicContact CE2-CB 3.81Å; F442-F446 HydrophobicContact CE2-CG 4.18Å; F442-F446 HydrophobicContact CZ-CB 3.36Å; F442-F446 AromaticContact CZ-CD1 3.79Å; F442-F446 HydrophobicContact CZ-CD1 3.79Å; F442-F446 AromaticContact CZ-CD2 3.44Å; F442-F446 HydrophobicContact CZ-CD2 3.44Å; F442-F446 VanDerWaalsContact CZ-CD2 3.44Å; F442-F446 HydrophobicContact CZ-CE1 4.4Å; F442-F446 HydrophobicContact CZ-CE2 4.1Å; F442-F446 AromaticContact CZ-CG 3.24Å; F442-F446 HydrophobicContact CZ-CG 3.24Å; H443-F446 WeakPolarHBondContact O-CB 3.42Å; H443-F446 PolarHBondContact O-N 3.28Å; K444-F446 PolarHBondContact O-N 3.02Å; F446-Y449 HydrophobicContact CD2-CD1 4.22Å; F446-Y449 HydrophobicContact CE2-CD1 4.18Å; F446-Y449 PolarHBondContact O-N 3.16Å; F446-T450 WeakPolarHBondContact O-CB 3.37Å; F446-T450 PolarHBondContact O-N 3.4Å; F446-T450 PolarHBondContact O-OG1 3.02Å
447Q90.5Very high87.3Confident2 Ų219.1 Ų19.11%0.0099%0.093CC..Hα-helixtrans-61.5-46.6168.4-177.8175.7-19.500110.9A397 K405 F441 H443 K444 Y449 T450 A451A397-Q447 HydrophobicContact CB-CG 4.06Å; A397-Q447 PolarHBondContact O-NE2 3.42Å; K405-Q447 PolarHBondContact O-NE2 3.42Å; F441-Q447 HydrophobicContact CB-CB 4.03Å; F441-Q447 HydrophobicContact CD2-CB 3.47Å; F441-Q447 VanDerWaalsContact CD2-CB 3.47Å; F441-Q447 HydrophobicContact CD2-CG 3.51Å; F441-Q447 HydrophobicContact CE2-CB 4.05Å; F441-Q447 HydrophobicContact CE2-CG 3.65Å; F441-Q447 HydrophobicContact CG-CB 3.74Å; F441-Q447 HydrophobicContact CG-CG 4.28Å; F441-Q447 HydrophobicContact CZ-CG 4.49Å; H443-Q447 PolarHBondContact O-N 2.73Å; K444-Q447 WeakPolarHBondContact O-CA 3.39Å; K444-Q447 WeakPolarHBondContact O-CB 3.47Å; K444-Q447 PolarHBondContact O-N 3.03Å; Q447-Y449 VanDerWaalsContact C-N 3.33Å; Q447-Y449 PolarHBondContact O-N 3.02Å; Q447-T450 PolarHBondContact O-N 2.84Å; Q447-A451 VanDerWaalsContact O-CB 3.31Å; Q447-A451 WeakPolarHBondContact O-CB 3.43Å; Q447-A451 PolarHBondContact O-N 3.21Å
448E90.3Very high88.8Confident7 Ų717.2 Ų17.23%0.0338%0.081CC..Hα-helixtrans-62-39.8177.7-68.7172.7152.200111.9V401 K444 G452 S489 Y493V401-E448 HydrophobicContact CG2-CG 4.29Å; K444-E448 WeakPolarHBondContact CE-OE1 3.45Å; K444-E448 HydrophobicContact CG-CG 4.35Å; K444-E448 IonicContact NZ-OE1 2.79Å; K444-E448 WeakPolarHBondContact O-CG 3.42Å; K444-E448 PolarHBondContact O-N 2.93Å; E448-G452 PolarHBondContact O-N 2.67Å; E448-S489 VanDerWaalsContact CD-CB 3.41Å; E448-S489 WeakPolarHBondContact OE2-CB 3.45Å; E448-S489 PolarHBondContact OE2-OG 3.1Å; E448-Y493 VanDerWaalsContact C-CD2 3.44Å; E448-Y493 HydrophobicContact CB-CD2 3.9Å; E448-Y493 HydrophobicContact CB-CE2 3.74Å
449Y94.8Very high89.9Confident0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-61.8-49.5173.1164.9-99.7000111.6T360 F363 H364 Y367 S445 F446 Q447 A451 G452 R453 Y493T360-Y449 HydrophobicContact CG2-CD2 4.33Å; T360-Y449 HydrophobicContact CG2-CE2 4.09Å; F363-Y449 HydrophobicContact CB-CD1 3.79Å; F363-Y449 HydrophobicContact CB-CD2 3.44Å; F363-Y449 VanDerWaalsContact CB-CD2 3.44Å; F363-Y449 HydrophobicContact CB-CE1 4.05Å; F363-Y449 HydrophobicContact CB-CE2 3.71Å; F363-Y449 HydrophobicContact CB-CG 3.5Å; F363-Y449 HydrophobicContact CD2-CD2 4.41Å; F363-Y449 HydrophobicContact CD2-CG 4.29Å; F363-Y449 HydrophobicContact CG-CD1 4.37Å; F363-Y449 HydrophobicContact CG-CD2 4.2Å; F363-Y449 AromaticContact CG-CG 3.94Å; F363-Y449 HydrophobicContact CG-CG 3.94Å; H364-Y449 WeakPolarHBondContact CA-OH 3.39Å; H364-Y449 HydrophobicContact CB-CE2 4.49Å; Y367-Y449 AromaticContact CD2-CE1 3.87Å; Y367-Y449 HydrophobicContact CD2-CE1 3.87Å; Y367-Y449 HydrophobicContact CG-CE1 4.01Å; S445-Y449 WeakPolarHBondContact O-CB 3.36Å; S445-Y449 PolarHBondContact O-N 3.34Å; F446-Y449 HydrophobicContact CD2-CD1 4.22Å; F446-Y449 HydrophobicContact CE2-CD1 4.18Å; F446-Y449 PolarHBondContact O-N 3.16Å; Q447-Y449 VanDerWaalsContact C-N 3.33Å; Q447-Y449 PolarHBondContact O-N 3.02Å; Y449-A451 VanDerWaalsContact C-N 3.29Å; Y449-A451 PolarHBondContact O-N 2.97Å; Y449-G452 PolarHBondContact O-N 3.29Å; Y449-G452 VanDerWaalsContact O-N 3.1Å; Y449-R453 PolarHBondContact O-N 3.17Å; Y449-R453 PolarHBondContact OH-NH1 3.27Å; Y449-R453 VanDerWaalsContact OH-NH1 3.1Å; Y449-Y493 VanDerWaalsContact CA-CD2 3.44Å; Y449-Y493 HydrophobicContact CD2-CD1 4.07Å; Y449-Y493 HydrophobicContact CD2-CG 4.27Å; Y449-Y493 VanDerWaalsContact N-CD2 3.32Å
450T93.2Very high90.8Very high3 Ų318.3 Ų18.32%0.0189%0.091CC..Hα-helixtrans-61.9-40.7-179.4-54.10000110.9Y367 A397 F441 F446 Q447 R453 R454Y367-T450 HydrophobicContact CE2-CG2 4.41Å; A397-T450 HydrophobicContact CB-CG2 3.97Å; F441-T450 HydrophobicContact CE1-CG2 4.3Å; F446-T450 WeakPolarHBondContact O-CB 3.37Å; F446-T450 PolarHBondContact O-N 3.4Å; F446-T450 PolarHBondContact O-OG1 3.02Å; Q447-T450 PolarHBondContact O-N 2.84Å; T450-R453 PolarHBondContact O-N 3.44Å; T450-R454 PolarHBondContact O-N 3.37Å
451A94.8Very high91.4Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-62.5-43.8172.600000112.3A397 L398 V401 Q447 Y449 R454 L455 L490A397-A451 HydrophobicContact CB-CB 4.06Å; L398-A451 HydrophobicContact CB-CB 4.18Å; L398-A451 HydrophobicContact CD1-CB 4.09Å; V401-A451 HydrophobicContact CG2-CB 3.99Å; Q447-A451 VanDerWaalsContact O-CB 3.31Å; Q447-A451 WeakPolarHBondContact O-CB 3.43Å; Q447-A451 PolarHBondContact O-N 3.21Å; Y449-A451 VanDerWaalsContact C-N 3.29Å; Y449-A451 PolarHBondContact O-N 2.97Å; A451-R454 PolarHBondContact O-N 3.41Å; A451-L455 WeakPolarHBondContact O-CB 3.38Å; A451-L455 PolarHBondContact O-N 2.63Å; A451-L490 HydrophobicContact CB-CD1 3.64Å
452G95.6Very high91.7Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-65.8-40.2178.200000112.8E448 Y449 L455 S456 T494E448-G452 PolarHBondContact O-N 2.67Å; Y449-G452 PolarHBondContact O-N 3.29Å; Y449-G452 VanDerWaalsContact O-N 3.1Å; G452-L455 PolarHBondContact O-N 2.73Å; G452-S456 VanDerWaalsContact O-CB 3.31Å; G452-S456 WeakPolarHBondContact O-CB 3.46Å; G452-S456 PolarHBondContact O-N 2.9Å; G452-T494 WeakPolarHBondContact CA-OG1 3.33Å; G452-T494 PolarHBondContact O-OG1 2.72Å
453R94.9Very high92.5Very high75 Ų7531.2 Ų31.228%0.28316%0.155SC..Hα-helixtrans-60.5-45172.3-173.7-179.6-178.4129.71111.1H364 D368 Y449 T450 S456 S457H364-R453 PolarHBondContact CD2-NH1 3.31Å; H364-R453 PolarHBondContact NE2-NH1 3.13Å; D368-R453 IonicContact OD1-NH1 3.51Å; D368-R453 PolarHBondContact OD1-NH1 2.89Å; D368-R453 IonicContact OD1-NH2 3.83Å; Y449-R453 PolarHBondContact O-N 3.17Å; Y449-R453 PolarHBondContact OH-NH1 3.27Å; Y449-R453 VanDerWaalsContact OH-NH1 3.1Å; T450-R453 PolarHBondContact O-N 3.44Å; R453-S456 WeakPolarHBondContact O-CB 3.34Å; R453-S456 PolarHBondContact O-N 2.9Å; R453-S457 PolarHBondContact O-N 3.29Å
454R95.8Very high92.9Very high18 Ų1833.4 Ų33.47%0.06817%0.174CC..Hα-helixtrans-63.9-45.5176.2-17761.7175.2151.65111.9D391 D395 L398 T450 A451 S456 S457 L458 E466D391-R454 IonicContact OD1-CZ 3.59Å; D391-R454 IonicContact OD1-NH1 3.82Å; D391-R454 PolarHBondContact OD1-NH1 3.3Å; D395-R454 IonicContact OD1-CZ 3.53Å; D395-R454 IonicContact OD1-NE 2.73Å; D395-R454 PolarHBondContact OD1-NE 3.46Å; D395-R454 IonicContact OD1-NH2 3.42Å; D395-R454 PolarHBondContact OD1-NH2 3.35Å; D395-R454 IonicContact OD2-CZ 2.7Å; D395-R454 IonicContact OD2-NE 3.45Å; D395-R454 IonicContact OD2-NH2 3.6Å; D395-R454 PolarHBondContact OD2-NH2 2.82Å; L398-R454 HydrophobicContact CD2-CG 4.4Å; T450-R454 PolarHBondContact O-N 3.37Å; A451-R454 PolarHBondContact O-N 3.41Å; R454-S456 VanDerWaalsContact C-N 3.29Å; R454-S456 PolarHBondContact O-N 2.86Å; R454-S457 WeakPolarHBondContact O-CB 3.49Å; R454-S457 PolarHBondContact O-N 2.79Å; R454-L458 HydrophobicContact CG-CD1 4.36Å; R454-L458 WeakPolarHBondContact O-CG 3.31Å; R454-L458 PolarHBondContact O-N 3.11Å; R454-E466 IonicContact NH1-OE1 2.71Å; R454-E466 IonicContact NH2-OE1 2.68Å
455L96.6Very high93.4Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-61.7-40.3178.1-176.757.4000111.5L398 A451 G452 L458 L459 L474 M477 L490 T494L398-L455 HydrophobicContact CD1-CB 4.22Å; L398-L455 HydrophobicContact CD2-CB 4.41Å; A451-L455 WeakPolarHBondContact O-CB 3.38Å; A451-L455 PolarHBondContact O-N 2.63Å; G452-L455 PolarHBondContact O-N 2.73Å; L455-L458 PolarHBondContact O-N 3.26Å; L455-L459 HydrophobicContact CD1-CD1 4.23Å; L455-L459 HydrophobicContact CD1-CG 4.27Å; L455-L459 HydrophobicContact CG-CD1 4.04Å; L455-L459 WeakPolarHBondContact O-CB 3.47Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.4Å; L455-L474 HydrophobicContact CD2-CD2 4.33Å; L455-M477 HydrophobicContact CD2-CE 4.44Å; L455-L490 HydrophobicContact CD2-CD1 4.5Å; L455-L490 HydrophobicContact CD2-CD2 4.44Å; L455-L490 HydrophobicContact CD2-CG 4.39Å; L455-T494 HydrophobicContact CB-CG2 4.23Å; L455-T494 HydrophobicContact CD2-CG2 4.12Å; L455-T494 HydrophobicContact CG-CG2 3.97Å
456S96.4Very high93.7Very high6 Ų641.9 Ų41.94%0.04221%0.214CC..Hα-helixtrans-59.9-46.7173.3-171.50000111.6G452 R453 R454 L458 L459 T460 S497 S498 A501G452-S456 VanDerWaalsContact O-CB 3.31Å; G452-S456 WeakPolarHBondContact O-CB 3.46Å; G452-S456 PolarHBondContact O-N 2.9Å; R453-S456 WeakPolarHBondContact O-CB 3.34Å; R453-S456 PolarHBondContact O-N 2.9Å; R454-S456 VanDerWaalsContact C-N 3.29Å; R454-S456 PolarHBondContact O-N 2.86Å; S456-L458 PolarHBondContact O-N 3.25Å; S456-L459 PolarHBondContact O-N 2.66Å; S456-T460 WeakPolarHBondContact O-CB 3.38Å; S456-T460 WeakPolarHBondContact O-CG2 3.35Å; S456-T460 PolarHBondContact O-N 2.76Å; S456-T460 PolarHBondContact O-OG1 2.95Å; S456-S497 WeakPolarHBondContact OG-CB 3.26Å; S456-S498 WeakPolarHBondContact OG-CB 3.43Å; S456-A501 WeakPolarHBondContact OG-CB 3.47Å
457S95.3Very high94Very high49 Ų4943.8 Ų43.834%0.34323%0.225SC..Hα-helixtrans-59-43.7175.6-168.90000112.3R453 R454 T460 S461R453-S457 PolarHBondContact O-N 3.29Å; R454-S457 WeakPolarHBondContact O-CB 3.49Å; R454-S457 PolarHBondContact O-N 2.79Å; S457-T460 PolarHBondContact O-N 2.97Å; S457-S461 WeakPolarHBondContact O-CB 3.45Å; S457-S461 PolarHBondContact O-N 3.06Å
458L96.1Very high94.2Very high0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-63.5-44.7177.7-69.6174.6000111.8L398 R454 L455 S456 T460 S461 E466 V467 K469 Y473L398-L458 HydrophobicContact CD2-CD1 4.05Å; R454-L458 HydrophobicContact CG-CD1 4.36Å; R454-L458 WeakPolarHBondContact O-CG 3.31Å; R454-L458 PolarHBondContact O-N 3.11Å; L455-L458 PolarHBondContact O-N 3.26Å; S456-L458 PolarHBondContact O-N 3.25Å; L458-T460 VanDerWaalsContact C-N 3.27Å; L458-T460 PolarHBondContact O-N 3.16Å; L458-S461 PolarHBondContact O-N 2.77Å; L458-E466 HydrophobicContact CD2-CB 3.83Å; L458-E466 HydrophobicContact CD2-CG 4.1Å; L458-E466 CarbonylContact O-C 3.48Å; L458-V467 VanDerWaalsContact O-CA 3.25Å; L458-V467 WeakPolarHBondContact O-CA 3.01Å; L458-V467 PolarHBondContact O-N 2.99Å; L458-K469 HydrophobicContact CD1-CD 4.17Å; L458-K469 HydrophobicContact CD1-CG 4.33Å; L458-K469 HydrophobicContact CD2-CD 4.12Å; L458-Y473 HydrophobicContact CD1-CD2 4.39Å; L458-Y473 HydrophobicContact CD1-CE2 4.35Å
459L95.4Very high94.3Very high19 Ų1951.6 Ų51.610%0.09927%0.268CS..Hα-helixtrans-70.1-23.7-178.3-69.3170.9000113.6L455 S456 L474 T494 A501 A504 V505L455-L459 HydrophobicContact CD1-CD1 4.23Å; L455-L459 HydrophobicContact CD1-CG 4.27Å; L455-L459 HydrophobicContact CG-CD1 4.04Å; L455-L459 WeakPolarHBondContact O-CB 3.47Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.4Å; S456-L459 PolarHBondContact O-N 2.66Å; L459-L474 HydrophobicContact CD1-CD1 4.12Å; L459-L474 HydrophobicContact CD2-CD1 3.81Å; L459-L474 HydrophobicContact CD2-CG 4.43Å; L459-T494 HydrophobicContact CD1-CG2 4.15Å; L459-A501 HydrophobicContact CB-CB 4.44Å; L459-A501 HydrophobicContact CD1-CB 4.38Å; L459-A504 HydrophobicContact CD1-CB 4.38Å; L459-A504 HydrophobicContact CD2-CB 4.3Å; L459-V505 HydrophobicContact CD1-CG2 4.4Å
460T94.4Very high94.3Very high54 Ų5451.6 Ų51.633%0.33127%0.268SS..Hα-helixtrans-106.93.5-177.757.90000113.6S456 S457 L458 S498 E500 A501S456-T460 WeakPolarHBondContact O-CB 3.38Å; S456-T460 WeakPolarHBondContact O-CG2 3.35Å; S456-T460 PolarHBondContact O-N 2.76Å; S456-T460 PolarHBondContact O-OG1 2.95Å; S457-T460 PolarHBondContact O-N 2.97Å; L458-T460 VanDerWaalsContact C-N 3.27Å; L458-T460 PolarHBondContact O-N 3.16Å; T460-S498 WeakPolarHBondContact CG2-OG 3.27Å; T460-E500 HydrophobicContact CG2-CB 3.77Å; T460-A501 HydrophobicContact CG2-CB 4.13Å
461S93.8Very high94.3Very high28 Ų2854.5 Ų54.520%0.19628%0.283CS..  trans-63.3149.9-179.3-174.40000112.2S457 L458 E463 E466 V467S457-S461 WeakPolarHBondContact O-CB 3.45Å; S457-S461 PolarHBondContact O-N 3.06Å; L458-S461 PolarHBondContact O-N 2.77Å; S461-E463 VanDerWaalsContact C-N 3.26Å; S461-E463 PolarHBondContact OG-N 3.18Å; S461-E463 VanDerWaalsContact OG-N 3.11Å; S461-E466 WeakPolarHBondContact CB-OE2 3.17Å; S461-E466 PolarHBondContact OG-OE2 2.81Å; S461-V467 VanDerWaalsContact O-CG2 3.28Å; S461-V467 WeakPolarHBondContact O-CG2 3.45Å
462H91.6Very high94.4Very high191 Ų19155.7 Ų55.788%0.88430%0.296SS*.SBendtrans-77.3-15.6170-62.2-57.6000112.3P464H462-P464 WeakPolarHBondContact O-CD 3.23Å
463E93.1Very high94.4Very high117 Ų11756.3 Ų56.355%0.54730%0.298SS..SBendtrans-88.6119.7179.7-63.4-169174.400111.1S461 E465 E466 V467S461-E463 VanDerWaalsContact C-N 3.26Å; S461-E463 PolarHBondContact OG-N 3.18Å; S461-E463 VanDerWaalsContact OG-N 3.11Å; E463-E465 PolarHBondContact O-N 3.24Å; E463-E465 VanDerWaalsContact O-N 3.17Å; E463-E466 HydrophobicContact CB-CB 4.4Å; E463-E466 HydrophobicContact CB-CG 4.27Å; E463-E466 PolarHBondContact O-N 2.85Å; E463-V467 PolarHBondContact O-N 3.22Å
464P91.6Very high94.3Very high102 Ų10252.9 Ų52.966%0.66229%0.285SS*.Hα-helixtrans-59.8-29.4-178.1-25.934.8000114.2H462 T468H462-P464 WeakPolarHBondContact O-CD 3.23Å; P464-T468 WeakPolarHBondContact O-CB 3.3Å; P464-T468 PolarHBondContact O-N 3.05Å; P464-T468 PolarHBondContact O-OG1 2.91Å
465E93.4Very high94.2Very high164 Ų16458.7 Ų58.777%0.76631%0.313SS*.Hα-helixtrans-66.7-42.7178.1-65-174.6-177.500111.7E463 T468 K469E463-E465 PolarHBondContact O-N 3.24Å; E463-E465 VanDerWaalsContact O-N 3.17Å; E465-T468 WeakPolarHBondContact O-CB 3.33Å; E465-T468 PolarHBondContact O-N 3.45Å; E465-K469 PolarHBondContact O-N 3.18Å
466E92.1Very high93.9Very high45 Ų4564.1 Ų64.121%0.2134%0.337CS..Hα-helixtrans-67-41175.9-70.7-159.5129.300111.8R454 L458 S461 E463 T468 K469 G470R454-E466 IonicContact NH1-OE1 2.71Å; R454-E466 IonicContact NH2-OE1 2.68Å; L458-E466 HydrophobicContact CD2-CB 3.83Å; L458-E466 HydrophobicContact CD2-CG 4.1Å; L458-E466 CarbonylContact O-C 3.48Å; S461-E466 WeakPolarHBondContact CB-OE2 3.17Å; S461-E466 PolarHBondContact OG-OE2 2.81Å; E463-E466 HydrophobicContact CB-CB 4.4Å; E463-E466 HydrophobicContact CB-CG 4.27Å; E463-E466 PolarHBondContact O-N 2.85Å; E466-T468 VanDerWaalsContact C-N 3.28Å; E466-T468 PolarHBondContact O-N 2.94Å; E466-K469 WeakPolarHBondContact O-CB 3.23Å; E466-K469 PolarHBondContact O-N 2.75Å; E466-G470 PolarHBondContact O-N 2.86Å
467V94Very high93.7Very high40 Ų4063.9 Ų63.924%0.24234%0.335CS..Hα-helixtrans-62.7-38.8174.3179.90000110.8L458 S461 E463 G470 N471L458-V467 VanDerWaalsContact O-CA 3.25Å; L458-V467 WeakPolarHBondContact O-CA 3.01Å; L458-V467 PolarHBondContact O-N 2.99Å; S461-V467 VanDerWaalsContact O-CG2 3.28Å; S461-V467 WeakPolarHBondContact O-CG2 3.45Å; E463-V467 PolarHBondContact O-N 3.22Å; V467-G470 PolarHBondContact O-N 2.82Å; V467-N471 WeakPolarHBondContact CG1-ND2 3.09Å; V467-N471 WeakPolarHBondContact O-CB 3.45Å; V467-N471 PolarHBondContact O-N 2.98Å; V467-N471 PolarHBondContact O-ND2 3.05Å
468T94.8Very high93.3Very high98 Ų9864.6 Ų64.660%0.60134%0.337SS*.Hα-helixtrans-64.6-42.2174.5-57.80000111.2P464 E465 E466 N471 G472P464-T468 WeakPolarHBondContact O-CB 3.3Å; P464-T468 PolarHBondContact O-N 3.05Å; P464-T468 PolarHBondContact O-OG1 2.91Å; E465-T468 WeakPolarHBondContact O-CB 3.33Å; E465-T468 PolarHBondContact O-N 3.45Å; E466-T468 VanDerWaalsContact C-N 3.28Å; E466-T468 PolarHBondContact O-N 2.94Å; T468-N471 PolarHBondContact O-N 3.42Å; T468-G472 PolarHBondContact O-N 3.33Å
469K93.8Very high92.8Very high75 Ų7565 Ų6533%0.32634%0.34SS..Hα-helixtrans-60.5-46.4173.9-171.6-173.5-175.8-169.10111.4D395 L458 E465 E466 G472 Y473D395-K469 IonicContact OD1-NZ 2.98Å; D395-K469 PolarHBondContact OD1-NZ 3.23Å; D395-K469 IonicContact OD2-NZ 2.8Å; D395-K469 PolarHBondContact OD2-NZ 3.29Å; L458-K469 HydrophobicContact CD1-CD 4.17Å; L458-K469 HydrophobicContact CD1-CG 4.33Å; L458-K469 HydrophobicContact CD2-CD 4.12Å; E465-K469 PolarHBondContact O-N 3.18Å; E466-K469 WeakPolarHBondContact O-CB 3.23Å; E466-K469 PolarHBondContact O-N 2.75Å; K469-G472 PolarHBondContact O-N 2.9Å; K469-Y473 HydrophobicContact CG-CD2 4.47Å; K469-Y473 HydrophobicContact CG-CE2 4.06Å; K469-Y473 VanDerWaalsContact O-CD2 3.28Å; K469-Y473 WeakPolarHBondContact O-CD2 3.25Å; K469-Y473 PolarHBondContact O-N 3.48Å; K469-Y473 VanDerWaalsContact O-N 3.15Å
470G94.4Very high92.5Very high0 Ų064.1 Ų64.10%034%0.335CS..Hα-helixtrans-60-48.3176.800000112.7E466 V467 G472 Y473 L474E466-G470 PolarHBondContact O-N 2.86Å; V467-G470 PolarHBondContact O-N 2.82Å; G470-G472 VanDerWaalsContact C-N 3.29Å; G470-G472 PolarHBondContact O-N 2.8Å; G470-Y473 WeakPolarHBondContact O-CB 3.33Å; G470-Y473 PolarHBondContact O-N 2.92Å; G470-Y473 VanDerWaalsContact O-N 3.11Å; G470-L474 PolarHBondContact O-N 3.34Å
471N93.6Very high91.7Very high63 Ų6361.8 Ų61.834%0.33732%0.321SS..Hα-helixtrans-62.9-35.4174.5-75.2-48000112.3V467 T468 Y473 L474 Q475V467-N471 WeakPolarHBondContact CG1-ND2 3.09Å; V467-N471 WeakPolarHBondContact O-CB 3.45Å; V467-N471 PolarHBondContact O-N 2.98Å; V467-N471 PolarHBondContact O-ND2 3.05Å; T468-N471 PolarHBondContact O-N 3.42Å; N471-Y473 PolarHBondContact O-N 3.45Å; N471-L474 PolarHBondContact O-N 2.95Å; N471-Q475 WeakPolarHBondContact O-CG 3.31Å; N471-Q475 PolarHBondContact O-N 3.01Å
472G94.9Very high91.2Very high26 Ų2663.4 Ų63.427%0.26833%0.327SS..Hα-helixtrans-60.5-31.7173.400000113.2T468 K469 G470 K476T468-G472 PolarHBondContact O-N 3.33Å; K469-G472 PolarHBondContact O-N 2.9Å; G470-G472 VanDerWaalsContact C-N 3.29Å; G470-G472 PolarHBondContact O-N 2.8Å; G472-K476 WeakPolarHBondContact O-CG 3.36Å
473Y95.6Very high91Very high13 Ų1354.3 Ų54.35%0.05129%0.285CS..Hα-helixtrans-73.2-41.4171.6-77.9-68.5000112.8L398 E399 F402 L458 K469 G470 N471 Q475 K476L398-Y473 HydrophobicContact CD2-CD1 4.5Å; L398-Y473 HydrophobicContact CD2-CD2 3.65Å; L398-Y473 HydrophobicContact CD2-CE1 4.36Å; L398-Y473 HydrophobicContact CD2-CE2 3.46Å; L398-Y473 VanDerWaalsContact CD2-CE2 3.46Å; L398-Y473 HydrophobicContact CD2-CG 4.17Å; L398-Y473 HydrophobicContact CG-CD1 4.41Å; L398-Y473 HydrophobicContact CG-CD2 4.41Å; L398-Y473 HydrophobicContact CG-CE1 4.18Å; L398-Y473 HydrophobicContact CG-CE2 4.16Å; E399-Y473 WeakPolarHBondContact CG-OH 3.43Å; F402-Y473 HydrophobicContact CD1-CD1 4.47Å; F402-Y473 AromaticContact CD2-CD1 3.58Å; F402-Y473 HydrophobicContact CD2-CD1 3.58Å; F402-Y473 AromaticContact CD2-CE1 3.86Å; F402-Y473 HydrophobicContact CD2-CE1 3.86Å; F402-Y473 HydrophobicContact CE1-CD1 4.27Å; F402-Y473 AromaticContact CE2-CD1 3.35Å; F402-Y473 HydrophobicContact CE2-CD1 3.35Å; F402-Y473 HydrophobicContact CE2-CE1 4.08Å; F402-Y473 HydrophobicContact CE2-CG 4.01Å; F402-Y473 HydrophobicContact CG-CD1 4.14Å; F402-Y473 HydrophobicContact CG-CE1 4.35Å; F402-Y473 AromaticContact CZ-CD1 3.71Å; F402-Y473 HydrophobicContact CZ-CD1 3.71Å; F402-Y473 HydrophobicContact CZ-CG 4.27Å; F402-Y473 WeakPolarHBondContact CZ-O 3.35Å; L458-Y473 HydrophobicContact CD1-CD2 4.39Å; L458-Y473 HydrophobicContact CD1-CE2 4.35Å; K469-Y473 HydrophobicContact CG-CD2 4.47Å; K469-Y473 HydrophobicContact CG-CE2 4.06Å; K469-Y473 VanDerWaalsContact O-CD2 3.28Å; K469-Y473 WeakPolarHBondContact O-CD2 3.25Å; K469-Y473 PolarHBondContact O-N 3.48Å; K469-Y473 VanDerWaalsContact O-N 3.15Å; G470-Y473 WeakPolarHBondContact O-CB 3.33Å; G470-Y473 PolarHBondContact O-N 2.92Å; G470-Y473 VanDerWaalsContact O-N 3.11Å; N471-Y473 PolarHBondContact O-N 3.45Å; Y473-Q475 VanDerWaalsContact C-N 3.29Å; Y473-Q475 PolarHBondContact O-N 3.32Å; Y473-K476 HydrophobicContact CD1-CD 4.21Å; Y473-K476 WeakPolarHBondContact O-CB 3.42Å; Y473-K476 PolarHBondContact O-N 2.78Å; Y473-K476 VanDerWaalsContact O-N 3.16Å
474L94.6Very high90.6Very high3 Ų349 Ų492%0.01626%0.261CS..Hα-helixtrans-60-41.7174.6-65.4-179.4000111.1L455 L459 G470 N471 K476 M477 L491 V505 H508L455-L474 HydrophobicContact CD2-CD2 4.33Å; L459-L474 HydrophobicContact CD1-CD1 4.12Å; L459-L474 HydrophobicContact CD2-CD1 3.81Å; L459-L474 HydrophobicContact CD2-CG 4.43Å; G470-L474 PolarHBondContact O-N 3.34Å; N471-L474 PolarHBondContact O-N 2.95Å; L474-K476 PolarHBondContact O-N 3.32Å; L474-K476 VanDerWaalsContact O-N 3.16Å; L474-M477 HydrophobicContact CD2-SD 4.48Å; L474-M477 WeakPolarHBondContact O-CA 3.48Å; L474-M477 VanDerWaalsContact O-CB 3.3Å; L474-M477 WeakPolarHBondContact O-CB 3.39Å; L474-M477 PolarHBondContact O-N 3.33Å; L474-L491 HydrophobicContact CD2-CD2 4.2Å; L474-V505 HydrophobicContact CD2-CG2 4.16Å; L474-H508 HydrophobicContact CB-CB 4.47Å; L474-H508 HydrophobicContact CD1-CB 4.35Å; L474-H508 PolarHBondContact O-CE1 2.92Å; L474-H508 PolarHBondContact O-NE2 3.36Å
475Q92.8Very high89.9Confident139 Ų13944.4 Ų44.465%0.6523%0.231SC*.Hα-helixtrans-62.2-21.8177.7-73175-0.800114.2N471 Y473 M477 V478N471-Q475 WeakPolarHBondContact O-CG 3.31Å; N471-Q475 PolarHBondContact O-N 3.01Å; Y473-Q475 VanDerWaalsContact C-N 3.29Å; Y473-Q475 PolarHBondContact O-N 3.32Å; Q475-M477 VanDerWaalsContact C-N 3.26Å; Q475-V478 WeakPolarHBondContact O-CG2 3.06Å
476K90.7Very high89.2Confident115 Ų11537.8 Ų37.850%0.520%0.202SC..THydrogen-bonded Turntrans-73.7-18.1171.9-67171.8-174.1175.80112.5F402 G472 Y473 L474 V478F402-K476 HydrophobicContact CD1-CB 4.21Å; F402-K476 HydrophobicContact CD1-CD 4.03Å; F402-K476 HydrophobicContact CE1-CB 3.7Å; F402-K476 HydrophobicContact CE1-CD 4.08Å; G472-K476 WeakPolarHBondContact O-CG 3.36Å; Y473-K476 HydrophobicContact CD1-CD 4.21Å; Y473-K476 WeakPolarHBondContact O-CB 3.42Å; Y473-K476 PolarHBondContact O-N 2.78Å; Y473-K476 VanDerWaalsContact O-N 3.16Å; L474-K476 PolarHBondContact O-N 3.32Å; L474-K476 VanDerWaalsContact O-N 3.16Å; K476-V478 PolarHBondContact O-N 3.48Å
477M91.3Very high88.9Confident0 Ų036.7 Ų36.70%020%0.196CC..  trans-88.376.8177.8-52.6-175.3-17200110F402 L455 L474 Q475 I483 Y487 L490 L491 H508F402-M477 HydrophobicContact CE1-CE 4.34Å; F402-M477 HydrophobicContact CE1-CG 4.31Å; F402-M477 HydrophobicContact CE2-CE 4.26Å; F402-M477 HydrophobicContact CZ-CE 3.54Å; F402-M477 HydrophobicContact CZ-CG 4.34Å; L455-M477 HydrophobicContact CD2-CE 4.44Å; L474-M477 HydrophobicContact CD2-SD 4.48Å; L474-M477 WeakPolarHBondContact O-CA 3.48Å; L474-M477 VanDerWaalsContact O-CB 3.3Å; L474-M477 WeakPolarHBondContact O-CB 3.39Å; L474-M477 PolarHBondContact O-N 3.33Å; Q475-M477 VanDerWaalsContact C-N 3.26Å; M477-I483 HydrophobicContact CB-CD1 4.49Å; M477-I483 HydrophobicContact CB-CG1 4.02Å; M477-Y487 HydrophobicContact CB-CD2 4.27Å; M477-Y487 HydrophobicContact CE-CD1 4.31Å; M477-Y487 HydrophobicContact CE-CG 4.12Å; M477-Y487 HydrophobicContact CG-CD2 3.76Å; M477-Y487 HydrophobicContact CG-CE2 4.11Å; M477-Y487 HydrophobicContact CG-CG 4.11Å; M477-Y487 HydrophobicContact SD-CD2 4.25Å; M477-Y487 HydrophobicContact SD-CG 4.1Å; M477-L490 HydrophobicContact CE-CD2 3.61Å; M477-L490 HydrophobicContact CE-CG 4.44Å; M477-L491 HydrophobicContact CE-CD2 3.92Å; M477-L491 HydrophobicContact CE-CG 4.39Å; M477-L491 HydrophobicContact SD-CD1 4.01Å; M477-L491 HydrophobicContact SD-CD2 3.78Å; M477-L491 HydrophobicContact SD-CG 4.05Å; M477-H508 PolarHBondContact O-NE2 2.85Å
478V87.4Confident88.5Confident64 Ų6435 Ų3539%0.38819%0.186SC..  trans-89.6-29.9-170.5-160.30000112.8Q475 K476 Q514Q475-V478 WeakPolarHBondContact O-CG2 3.06Å; K476-V478 PolarHBondContact O-N 3.48Å; V478-Q514 VanDerWaalsContact CG1-CD 3.48Å
479S86.3Confident88.1Confident8 Ų830.8 Ų30.86%0.05616%0.161CC..BIsolated β-bridgetrans-113144.7-170.4890000113.7S481 D482 I483 Q514S479-S481 VanDerWaalsContact C-N 3.25Å; S479-S481 PolarHBondContact O-N 2.9Å; S479-S481 PolarHBondContact OG-OG 2.68Å; S479-D482 PolarHBondContact O-N 3.47Å; S479-D482 PolarHBondContact OG-N 2.94Å; S479-D482 PolarHBondContact OG-OD1 3.18Å; S479-D482 PolarHBondContact OG-OD2 3.46Å; S479-I483 WeakPolarHBondContact O-CD1 3.26Å; S479-I483 VanDerWaalsContact O-CG1 3.28Å; S479-I483 WeakPolarHBondContact O-CG1 3.46Å; S479-I483 PolarHBondContact O-N 2.81Å; S479-I483 VanDerWaalsContact O-N 3.1Å; S479-Q514 CarbonylContact C-O 3.52Å; S479-Q514 WeakPolarHBondContact CA-O 3.47Å
480I88.4Confident88Confident2 Ų227.2 Ų27.21%0.0115%0.145CC..Hα-helixtrans-59.7-38.2175.7-64175.8000111D482 I483 T484 V512 Q514 I551 F554I480-D482 VanDerWaalsContact C-N 3.33Å; I480-D482 PolarHBondContact O-N 3.47Å; I480-I483 PolarHBondContact O-N 3.5Å; I480-T484 HydrophobicContact CG2-CG2 4.12Å; I480-T484 WeakPolarHBondContact O-CB 3.37Å; I480-T484 WeakPolarHBondContact O-CG2 3.39Å; I480-T484 PolarHBondContact O-N 2.92Å; I480-T484 PolarHBondContact O-OG1 3.23Å; I480-V512 HydrophobicContact CG1-CG1 3.83Å; I480-Q514 WeakPolarHBondContact CG1-O 2.97Å; I480-Q514 PolarHBondContact N-O 2.8Å; I480-I551 HydrophobicContact CD1-CD1 3.71Å; I480-F554 HydrophobicContact CD1-CD1 3.79Å; I480-F554 HydrophobicContact CD1-CE1 4.1Å; I480-F554 HydrophobicContact CD1-CG 4.44Å; I480-F554 HydrophobicContact CG1-CD1 3.84Å; I480-F554 HydrophobicContact CG1-CE1 3.89Å; I480-F554 HydrophobicContact CG1-CG 4.24Å; I480-F554 HydrophobicContact CG1-CZ 4.34Å; I480-F554 HydrophobicContact CG2-CB 3.63Å; I480-F554 HydrophobicContact CG2-CD1 4.15Å; I480-F554 HydrophobicContact CG2-CD2 4.13Å; I480-F554 HydrophobicContact CG2-CG 3.73Å
481S78.3Confident88Confident4 Ų427.3 Ų27.33%0.02815%0.145CC..Hα-helixtrans-59.7-45.217960.30000111.7S479 T484 S485 H515 G516 C517S479-S481 VanDerWaalsContact C-N 3.25Å; S479-S481 PolarHBondContact O-N 2.9Å; S479-S481 PolarHBondContact OG-OG 2.68Å; S481-T484 PolarHBondContact O-OG1 3.2Å; S481-S485 VanDerWaalsContact O-CB 3.3Å; S481-S485 WeakPolarHBondContact O-CB 3.42Å; S481-S485 PolarHBondContact O-N 3.07Å; S481-S485 VanDerWaalsContact O-N 3.08Å; S481-S485 PolarHBondContact O-OG 3.17Å; S481-H515 PolarHBondContact N-O 2.74Å; S481-G516 WeakPolarHBondContact OG-CA 3.48Å; S481-C517 PolarHBondContact OG-N 3.17Å; S481-C517 VanDerWaalsContact OG-N 3.13Å
482D82.1Confident87.9Confident62 Ų6226.2 Ų26.233%0.33214%0.136SC..Hα-helixtrans-74.9-36-176-53-26.7000111.3S479 I480 S485 T486 Y487S479-D482 PolarHBondContact O-N 3.47Å; S479-D482 PolarHBondContact OG-N 2.94Å; S479-D482 PolarHBondContact OG-OD1 3.18Å; S479-D482 PolarHBondContact OG-OD2 3.46Å; I480-D482 VanDerWaalsContact C-N 3.33Å; I480-D482 PolarHBondContact O-N 3.47Å; D482-S485 PolarHBondContact O-N 2.99Å; D482-T486 WeakPolarHBondContact O-CA 3.29Å; D482-T486 WeakPolarHBondContact O-CB 3.33Å; D482-T486 PolarHBondContact O-N 3.19Å; D482-Y487 HydrophobicContact CB-CD2 3.98Å; D482-Y487 HydrophobicContact CB-CE2 3.75Å; D482-Y487 WeakPolarHBondContact O-CD2 3.42Å; D482-Y487 PolarHBondContact O-N 3.45Å
483I88.4Confident87.9Confident0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-62.3-46.5175.5-67.2159.7000110.7M477 S479 I480 S485 Y487 S488 L491 L509 V512 F554M477-I483 HydrophobicContact CB-CD1 4.49Å; M477-I483 HydrophobicContact CB-CG1 4.02Å; S479-I483 WeakPolarHBondContact O-CD1 3.26Å; S479-I483 VanDerWaalsContact O-CG1 3.28Å; S479-I483 WeakPolarHBondContact O-CG1 3.46Å; S479-I483 PolarHBondContact O-N 2.81Å; S479-I483 VanDerWaalsContact O-N 3.1Å; I480-I483 PolarHBondContact O-N 3.5Å; I483-S485 VanDerWaalsContact C-N 3.33Å; I483-S485 PolarHBondContact O-N 2.83Å; I483-Y487 CarbonylContact O-C 3.55Å; I483-S488 VanDerWaalsContact O-CA 3.27Å; I483-S488 WeakPolarHBondContact O-CA 3.5Å; I483-S488 WeakPolarHBondContact O-CB 3.38Å; I483-S488 PolarHBondContact O-N 3.45Å; I483-L491 HydrophobicContact CG2-CD1 3.85Å; I483-L509 HydrophobicContact CD1-CD2 3.78Å; I483-L509 HydrophobicContact CG1-CD2 4.36Å; I483-L509 HydrophobicContact CG2-CD2 3.97Å; I483-V512 HydrophobicContact CD1-CB 4.46Å; I483-V512 HydrophobicContact CD1-CG1 4Å; I483-V512 HydrophobicContact CD1-CG2 3.96Å; I483-F554 HydrophobicContact CB-CE2 4.39Å; I483-F554 HydrophobicContact CD1-CE2 4.21Å; I483-F554 HydrophobicContact CD1-CZ 4.35Å; I483-F554 HydrophobicContact CG2-CD2 4.34Å; I483-F554 HydrophobicContact CG2-CE2 3.82Å
484T84.1Confident87.9Confident7 Ų724.5 Ų24.54%0.04312%0.122CC..Hα-helixtrans-80.4-11.2-177.156.90000113.8R285 I480 S481 F554 C557R285-T484 PolarHBondContact NH1-OG1 2.52Å; R285-T484 PolarHBondContact NH2-O 3.34Å; R285-T484 VanDerWaalsContact NH2-O 3.09Å; R285-T484 PolarHBondContact NH2-OG1 3.25Å; I480-T484 HydrophobicContact CG2-CG2 4.12Å; I480-T484 WeakPolarHBondContact O-CB 3.37Å; I480-T484 WeakPolarHBondContact O-CG2 3.39Å; I480-T484 PolarHBondContact O-N 2.92Å; I480-T484 PolarHBondContact O-OG1 3.23Å; S481-T484 PolarHBondContact O-OG1 3.2Å; T484-F554 HydrophobicContact CG2-CB 4.15Å; T484-F554 HydrophobicContact CG2-CD2 3.98Å; T484-C557 HydrophobicContact CG2-CB 4.12Å
485S76.2Confident87.8Confident4 Ų424.3 Ų24.33%0.02812%0.121CC..Hα-helixtrans-112.4-61.8178.969.40000112.9S481 D482 I483S481-S485 VanDerWaalsContact O-CB 3.3Å; S481-S485 WeakPolarHBondContact O-CB 3.42Å; S481-S485 PolarHBondContact O-N 3.07Å; S481-S485 VanDerWaalsContact O-N 3.08Å; S481-S485 PolarHBondContact O-OG 3.17Å; D482-S485 PolarHBondContact O-N 2.99Å; I483-S485 VanDerWaalsContact C-N 3.33Å; I483-S485 PolarHBondContact O-N 2.83Å
486T78.8Confident87.8Confident25 Ų2518.5 Ų18.515%0.15310%0.098CC..THydrogen-bonded Turntrans-86.7-40.7-167.2-59.80000111.3H404 D482H404-T486 WeakPolarHBondContact CE1-CG2 3.12Å; D482-T486 WeakPolarHBondContact O-CA 3.29Å; D482-T486 WeakPolarHBondContact O-CB 3.33Å; D482-T486 PolarHBondContact O-N 3.19Å
487Y86.8Confident87.9Confident23 Ų2315 Ų159%0.099%0.089CC..SBendtrans-104.71.6-172-51.6-58.5000113.9V401 F402 M477 D482 I483 S489 L490 L491V401-Y487 HydrophobicContact CG1-CD1 4.27Å; F402-Y487 AromaticContact CD1-CE1 3.71Å; F402-Y487 HydrophobicContact CD1-CE1 3.71Å; F402-Y487 AromaticContact CD1-CZ 3.88Å; F402-Y487 HydrophobicContact CE1-CD1 4.39Å; F402-Y487 AromaticContact CE1-CE1 3.74Å; F402-Y487 HydrophobicContact CE1-CE1 3.74Å; F402-Y487 AromaticContact CE1-CZ 3.88Å; F402-Y487 HydrophobicContact CG-CE1 4.22Å; F402-Y487 HydrophobicContact CZ-CE1 4.27Å; M477-Y487 HydrophobicContact CB-CD2 4.27Å; M477-Y487 HydrophobicContact CE-CD1 4.31Å; M477-Y487 HydrophobicContact CE-CG 4.12Å; M477-Y487 HydrophobicContact CG-CD2 3.76Å; M477-Y487 HydrophobicContact CG-CE2 4.11Å; M477-Y487 HydrophobicContact CG-CG 4.11Å; M477-Y487 HydrophobicContact SD-CD2 4.25Å; M477-Y487 HydrophobicContact SD-CG 4.1Å; D482-Y487 HydrophobicContact CB-CD2 3.98Å; D482-Y487 HydrophobicContact CB-CE2 3.75Å; D482-Y487 WeakPolarHBondContact O-CD2 3.42Å; D482-Y487 PolarHBondContact O-N 3.45Å; I483-Y487 CarbonylContact O-C 3.55Å; Y487-S489 PolarHBondContact O-N 2.69Å; Y487-L490 HydrophobicContact CD1-CD2 4.27Å; Y487-L490 WeakPolarHBondContact O-CB 3.39Å; Y487-L490 PolarHBondContact O-N 3.09Å; Y487-L491 WeakPolarHBondContact O-CG 3.43Å; Y487-L491 PolarHBondContact O-N 3.34Å
488S86.4Confident88Confident4 Ų416.1 Ų16.13%0.02810%0.096CC..Hα-helixtrans-55.7-56.1-176.4173.50000111.5E282 I483 L490 L491 R492E282-S488 VanDerWaalsContact OE1-CB 3.23Å; E282-S488 WeakPolarHBondContact OE1-CB 3.41Å; E282-S488 PolarHBondContact OE1-OG 3.04Å; I483-S488 VanDerWaalsContact O-CA 3.27Å; I483-S488 WeakPolarHBondContact O-CA 3.5Å; I483-S488 WeakPolarHBondContact O-CB 3.38Å; I483-S488 PolarHBondContact O-N 3.45Å; S488-L490 PolarHBondContact O-N 3.01Å; S488-L491 PolarHBondContact O-N 3.41Å; S488-R492 WeakPolarHBondContact O-CG 3.19Å; S488-R492 PolarHBondContact O-N 3.26Å
489S85.3Confident88.2Confident10 Ų1015.1 Ų15.17%0.079%0.09CC..Hα-helixtrans-59.9-42.6176.5-62.40000113.1E448 Y487 L491 R492 Y493E448-S489 VanDerWaalsContact CD-CB 3.41Å; E448-S489 WeakPolarHBondContact OE2-CB 3.45Å; E448-S489 PolarHBondContact OE2-OG 3.1Å; Y487-S489 PolarHBondContact O-N 2.69Å; S489-L491 VanDerWaalsContact C-N 3.35Å; S489-L491 PolarHBondContact O-N 3.45Å; S489-R492 WeakPolarHBondContact O-CB 3.22Å; S489-R492 PolarHBondContact O-N 3.43Å; S489-Y493 WeakPolarHBondContact O-CD2 3.49Å; S489-Y493 PolarHBondContact O-N 3.03Å
490L92.6Very high88.4Confident0 Ų019.9 Ų19.90%011%0.111CC..Hα-helixtrans-57.3-48.5178.5171.363.5000111L398 V401 F402 A451 L455 M477 Y487 S488 Y493 T494L398-L490 HydrophobicContact CD1-CD1 3.97Å; L398-L490 HydrophobicContact CD1-CD2 4.12Å; V401-L490 HydrophobicContact CG1-CB 4.49Å; V401-L490 HydrophobicContact CG1-CD2 4.12Å; F402-L490 HydrophobicContact CE2-CD2 3.85Å; F402-L490 HydrophobicContact CZ-CD2 4.33Å; A451-L490 HydrophobicContact CB-CD1 3.64Å; L455-L490 HydrophobicContact CD2-CD1 4.5Å; L455-L490 HydrophobicContact CD2-CD2 4.44Å; L455-L490 HydrophobicContact CD2-CG 4.39Å; M477-L490 HydrophobicContact CE-CD2 3.61Å; M477-L490 HydrophobicContact CE-CG 4.44Å; Y487-L490 HydrophobicContact CD1-CD2 4.27Å; Y487-L490 WeakPolarHBondContact O-CB 3.39Å; Y487-L490 PolarHBondContact O-N 3.09Å; S488-L490 PolarHBondContact O-N 3.01Å; L490-Y493 PolarHBondContact O-N 3.26Å; L490-T494 WeakPolarHBondContact O-CB 3.34Å; L490-T494 PolarHBondContact O-N 2.81Å; L490-T494 PolarHBondContact O-OG1 3.36Å
491L93.8Very high88.7Confident1 Ų119.8 Ų19.81%0.00511%0.111CC..Hα-helixtrans-67-37.7178.4-67.6-179.5000111.7L474 M477 I483 Y487 S488 S489 Y493 T494 C495 V505 L509 L561L474-L491 HydrophobicContact CD2-CD2 4.2Å; M477-L491 HydrophobicContact CE-CD2 3.92Å; M477-L491 HydrophobicContact CE-CG 4.39Å; M477-L491 HydrophobicContact SD-CD1 4.01Å; M477-L491 HydrophobicContact SD-CD2 3.78Å; M477-L491 HydrophobicContact SD-CG 4.05Å; I483-L491 HydrophobicContact CG2-CD1 3.85Å; Y487-L491 WeakPolarHBondContact O-CG 3.43Å; Y487-L491 PolarHBondContact O-N 3.34Å; S488-L491 PolarHBondContact O-N 3.41Å; S489-L491 VanDerWaalsContact C-N 3.35Å; S489-L491 PolarHBondContact O-N 3.45Å; L491-Y493 PolarHBondContact O-N 2.68Å; L491-T494 PolarHBondContact O-N 3.09Å; L491-C495 WeakPolarHBondContact O-CB 3.26Å; L491-C495 PolarHBondContact O-N 3.31Å; L491-C495 PolarHBondContact O-SG 2.9Å; L491-V505 HydrophobicContact CD1-CG1 4.43Å; L491-V505 HydrophobicContact CD2-CG1 3.93Å; L491-V505 HydrophobicContact CD2-CG2 4.08Å; L491-L509 HydrophobicContact CD1-CD1 4.47Å; L491-L509 HydrophobicContact CD1-CD2 4.24Å; L491-L561 HydrophobicContact CB-CD1 4.36Å; L491-L561 HydrophobicContact CB-CD2 3.72Å
492R91.3Very high89.5Confident40 Ų4019.6 Ų19.615%0.15111%0.109CC..Hα-helixtrans-56.4-50.1174.6-75.2176.477.61803.5111.5Q359 S488 S489 C495 G496 H560 L561 E564Q359-R492 VanDerWaalsContact NE2-CZ 3.3Å; S488-R492 WeakPolarHBondContact O-CG 3.19Å; S488-R492 PolarHBondContact O-N 3.26Å; S489-R492 WeakPolarHBondContact O-CB 3.22Å; S489-R492 PolarHBondContact O-N 3.43Å; R492-C495 PolarHBondContact O-N 2.88Å; R492-G496 PolarHBondContact O-N 3.03Å; R492-H560 HydrophobicContact CG-CB 4.48Å; R492-L561 HydrophobicContact CB-CD2 4.27Å; R492-L561 HydrophobicContact CG-CD2 3.74Å; R492-L561 VanDerWaalsContact N-CD2 3.32Å; R492-E564 HydrophobicContact CB-CG 4.19Å
493Y94.3Very high90.1Very high3 Ų320.6 Ų20.61%0.01211%0.109CC..Hα-helixtrans-70.2-32.5178.4-60.5-53.6000112.9Q359 T360 F363 E448 Y449 S489 L490 L491 S497Q359-Y493 HydrophobicContact CG-CE1 4.2Å; Q359-Y493 PolarHBondContact OE1-OH 3.45Å; T360-Y493 HydrophobicContact CG2-CD1 4.38Å; T360-Y493 WeakPolarHBondContact OG1-CD1 3.36Å; F363-Y493 AromaticContact CD2-CE1 3.77Å; F363-Y493 HydrophobicContact CD2-CE1 3.77Å; F363-Y493 AromaticContact CE2-CE1 4Å; F363-Y493 HydrophobicContact CE2-CE1 4Å; F363-Y493 AromaticContact CE2-CZ 3.91Å; F363-Y493 WeakPolarHBondContact CE2-OH 3.42Å; E448-Y493 VanDerWaalsContact C-CD2 3.44Å; E448-Y493 HydrophobicContact CB-CD2 3.9Å; E448-Y493 HydrophobicContact CB-CE2 3.74Å; Y449-Y493 VanDerWaalsContact CA-CD2 3.44Å; Y449-Y493 HydrophobicContact CD2-CD1 4.07Å; Y449-Y493 HydrophobicContact CD2-CG 4.27Å; Y449-Y493 VanDerWaalsContact N-CD2 3.32Å; S489-Y493 WeakPolarHBondContact O-CD2 3.49Å; S489-Y493 PolarHBondContact O-N 3.03Å; L490-Y493 PolarHBondContact O-N 3.26Å; L491-Y493 PolarHBondContact O-N 2.68Å; Y493-S497 WeakPolarHBondContact O-CB 3.45Å; Y493-S497 PolarHBondContact O-N 3.36Å; Y493-S497 VanDerWaalsContact O-N 3.12Å; Y493-S497 PolarHBondContact O-OG 3.2Å
494T95.4Very high90.5Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-63.2-49.2174.7-55.80000111G452 L455 L459 L490 L491 S497 A501 V505G452-T494 WeakPolarHBondContact CA-OG1 3.33Å; G452-T494 PolarHBondContact O-OG1 2.72Å; L455-T494 HydrophobicContact CB-CG2 4.23Å; L455-T494 HydrophobicContact CD2-CG2 4.12Å; L455-T494 HydrophobicContact CG-CG2 3.97Å; L459-T494 HydrophobicContact CD1-CG2 4.15Å; L490-T494 WeakPolarHBondContact O-CB 3.34Å; L490-T494 PolarHBondContact O-N 2.81Å; L490-T494 PolarHBondContact O-OG1 3.36Å; L491-T494 PolarHBondContact O-N 3.09Å; T494-S497 PolarHBondContact O-N 2.89Å; T494-A501 HydrophobicContact CG2-CB 4.19Å; T494-V505 HydrophobicContact CG2-CG2 4.15Å
495C94.3Very high91.1Very high0 Ų021.5 Ų21.50%012%0.117CC..Hα-helixtrans-66.6-41178.6-670000111.9L491 R492 S497 S498 T502 S565L491-C495 WeakPolarHBondContact O-CB 3.26Å; L491-C495 PolarHBondContact O-N 3.31Å; L491-C495 PolarHBondContact O-SG 2.9Å; R492-C495 PolarHBondContact O-N 2.88Å; C495-S497 PolarHBondContact O-N 3.36Å; C495-S498 PolarHBondContact O-N 3.44Å; C495-T502 WeakPolarHBondContact CA-OG1 3.33Å; C495-T502 HydrophobicContact CB-CG2 4.12Å; C495-T502 WeakPolarHBondContact CB-OG1 3.2Å; C495-T502 PolarHBondContact O-OG1 2.95Å; C495-S565 WeakPolarHBondContact O-CA 3.43Å
496G92.3Very high92Very high16 Ų1621.3 Ų21.317%0.16512%0.115CC..Hα-helixtrans-68.5-13.9176.600000114.7R492 E564R492-G496 PolarHBondContact O-N 3.03Å; G496-E564 VanDerWaalsContact CA-O 3.27Å; G496-E564 WeakPolarHBondContact CA-O 3.45Å
497S92.6Very high92.7Very high43 Ų4326.4 Ų26.430%0.30114%0.135SC..Hα-helixtrans-88.2-29.8177.8-61.70000113.3S456 Y493 T494 C495S456-S497 WeakPolarHBondContact OG-CB 3.26Å; Y493-S497 WeakPolarHBondContact O-CB 3.45Å; Y493-S497 PolarHBondContact O-N 3.36Å; Y493-S497 VanDerWaalsContact O-N 3.12Å; Y493-S497 PolarHBondContact O-OG 3.2Å; T494-S497 PolarHBondContact O-N 2.89Å; C495-S497 PolarHBondContact O-N 3.36Å
498S92.3Very high93.1Very high22 Ų2227.2 Ų27.215%0.15414%0.14CC..  trans-157.4141.2178.2162.40000112.8S456 T460 C495 E500 A501 T502S456-S498 WeakPolarHBondContact OG-CB 3.43Å; T460-S498 WeakPolarHBondContact CG2-OG 3.27Å; C495-S498 PolarHBondContact O-N 3.44Å; S498-E500 PolarHBondContact OG-N 3.23Å; S498-E500 PolarHBondContact OG-OE2 3.16Å; S498-E500 VanDerWaalsContact OG-OE2 3.05Å; S498-A501 PolarHBondContact O-N 2.92Å; S498-A501 PolarHBondContact OG-N 2.87Å; S498-A501 VanDerWaalsContact OG-N 3.15Å; S498-T502 PolarHBondContact O-N 3.36Å; S498-T502 PolarHBondContact O-OG1 2.84Å
499V91.8Very high93.5Very high43 Ų4327.1 Ų27.126%0.26114%0.139SC..Hα-helixtrans-67.6-39.1173.3-179.90000110.9T502 R503 L571V499-T502 WeakPolarHBondContact O-CB 3.21Å; V499-T502 PolarHBondContact O-N 2.97Å; V499-R503 PolarHBondContact O-N 3.27Å; V499-L571 HydrophobicContact CG1-CD1 3.88Å; V499-L571 HydrophobicContact CG1-CD2 4.2Å; V499-L571 HydrophobicContact CG1-CG 3.99Å
500E91.8Very high93.9Very high108 Ų10828.4 Ų28.451%0.50515%0.151SC..Hα-helixtrans-65.4-41.7176-67.467.2-146.800111.6T460 S498 T502 R503 A504T460-E500 HydrophobicContact CG2-CB 3.77Å; S498-E500 PolarHBondContact OG-N 3.23Å; S498-E500 PolarHBondContact OG-OE2 3.16Å; S498-E500 VanDerWaalsContact OG-OE2 3.05Å; E500-T502 VanDerWaalsContact C-N 3.33Å; E500-R503 WeakPolarHBondContact O-CB 3.26Å; E500-R503 PolarHBondContact O-N 2.98Å; E500-A504 PolarHBondContact O-N 3.18Å
501A94.3Very high93.9Very high0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-62.2-42.4172.400000111.1S456 L459 T460 T494 S498 R503 A504 V505S456-A501 WeakPolarHBondContact OG-CB 3.47Å; L459-A501 HydrophobicContact CB-CB 4.44Å; L459-A501 HydrophobicContact CD1-CB 4.38Å; T460-A501 HydrophobicContact CG2-CB 4.13Å; T494-A501 HydrophobicContact CG2-CB 4.19Å; S498-A501 PolarHBondContact O-N 2.92Å; S498-A501 PolarHBondContact OG-N 2.87Å; S498-A501 VanDerWaalsContact OG-N 3.15Å; A501-R503 VanDerWaalsContact C-N 3.29Å; A501-R503 PolarHBondContact O-N 3.07Å; A501-A504 PolarHBondContact O-N 2.88Å; A501-A504 VanDerWaalsContact O-N 3.14Å; A501-V505 WeakPolarHBondContact O-CG2 3.47Å; A501-V505 PolarHBondContact O-N 2.74Å
502T95.4Very high93.8Very high0 Ų032.6 Ų32.60%018%0.184CC..Hα-helixtrans-56.4-43.8174.1-55.20000111.3C495 S498 V499 E500 A504 V505 M506 S565 L571 F575C495-T502 WeakPolarHBondContact CA-OG1 3.33Å; C495-T502 HydrophobicContact CB-CG2 4.12Å; C495-T502 WeakPolarHBondContact CB-OG1 3.2Å; C495-T502 PolarHBondContact O-OG1 2.95Å; S498-T502 PolarHBondContact O-N 3.36Å; S498-T502 PolarHBondContact O-OG1 2.84Å; V499-T502 WeakPolarHBondContact O-CB 3.21Å; V499-T502 PolarHBondContact O-N 2.97Å; E500-T502 VanDerWaalsContact C-N 3.33Å; T502-A504 VanDerWaalsContact C-N 3.32Å; T502-A504 PolarHBondContact O-N 3.35Å; T502-V505 PolarHBondContact O-N 3.32Å; T502-M506 HydrophobicContact CG2-CG 4.08Å; T502-M506 WeakPolarHBondContact O-CG 3.3Å; T502-M506 PolarHBondContact O-N 2.93Å; T502-S565 WeakPolarHBondContact OG1-CB 3.48Å; T502-L571 HydrophobicContact CG2-CD1 3.44Å; T502-L571 VanDerWaalsContact CG2-CD1 3.44Å; T502-F575 HydrophobicContact CG2-CE2 4.22Å; T502-F575 HydrophobicContact CG2-CZ 4.08Å
503R94.9Very high93.5Very high84 Ų8439.2 Ų39.232%0.31721%0.21SC..Hα-helixtrans-57.3-44.3176.5-177-179.9-64.51242.9112.1V499 E500 A501 K507 L571 E574V499-R503 PolarHBondContact O-N 3.27Å; E500-R503 WeakPolarHBondContact O-CB 3.26Å; E500-R503 PolarHBondContact O-N 2.98Å; A501-R503 VanDerWaalsContact C-N 3.29Å; A501-R503 PolarHBondContact O-N 3.07Å; R503-K507 HydrophobicContact CG-CD 4.5Å; R503-K507 WeakPolarHBondContact O-CG 3.4Å; R503-K507 PolarHBondContact O-N 3.23Å; R503-K507 VanDerWaalsContact O-N 3.15Å; R503-L571 HydrophobicContact CB-CD2 3.92Å; R503-L571 HydrophobicContact CG-CD2 4.34Å; R503-E574 WeakPolarHBondContact CD-OE1 3.36Å; R503-E574 HydrophobicContact CG-CG 4.16Å; R503-E574 WeakPolarHBondContact CG-OE1 3.34Å; R503-E574 IonicContact NE-OE1 3.87Å; R503-E574 PolarHBondContact NE-OE1 3.44Å; R503-E574 VanDerWaalsContact NE-OE1 3.12Å
504A95.1Very high93Very high25 Ų2543.1 Ų43.121%0.20723%0.228CC..Hα-helixtrans-64.8-44.4177.600000111.7L459 E500 A501 T502 K507 H508L459-A504 HydrophobicContact CD1-CB 4.38Å; L459-A504 HydrophobicContact CD2-CB 4.3Å; E500-A504 PolarHBondContact O-N 3.18Å; A501-A504 PolarHBondContact O-N 2.88Å; A501-A504 VanDerWaalsContact O-N 3.14Å; T502-A504 VanDerWaalsContact C-N 3.32Å; T502-A504 PolarHBondContact O-N 3.35Å; A504-K507 PolarHBondContact O-N 3.22Å; A504-H508 PolarHBondContact O-N 2.78Å; A504-H508 VanDerWaalsContact O-N 3.12Å
505V96.7Very high92.2Very high1 Ų145.1 Ų45.11%0.00624%0.237CC..Hα-helixtrans-60-50.4176.7171.40000111.1L459 L474 L491 T494 A501 T502 K507 H508 L509 L561L459-V505 HydrophobicContact CD1-CG2 4.4Å; L474-V505 HydrophobicContact CD2-CG2 4.16Å; L491-V505 HydrophobicContact CD1-CG1 4.43Å; L491-V505 HydrophobicContact CD2-CG1 3.93Å; L491-V505 HydrophobicContact CD2-CG2 4.08Å; T494-V505 HydrophobicContact CG2-CG2 4.15Å; A501-V505 WeakPolarHBondContact O-CG2 3.47Å; A501-V505 PolarHBondContact O-N 2.74Å; T502-V505 PolarHBondContact O-N 3.32Å; V505-K507 VanDerWaalsContact C-N 3.32Å; V505-K507 PolarHBondContact O-N 3.11Å; V505-H508 WeakPolarHBondContact O-CB 3.49Å; V505-H508 PolarHBondContact O-N 3.29Å; V505-H508 VanDerWaalsContact O-N 3.1Å; V505-L509 HydrophobicContact CG1-CD1 3.89Å; V505-L509 HydrophobicContact CG1-CG 4.12Å; V505-L509 WeakPolarHBondContact O-CG 3.4Å; V505-L509 PolarHBondContact O-N 2.83Å; V505-L561 HydrophobicContact CG1-CD1 4.21Å
506M95.4Very high91.6Very high0 Ų047.3 Ų47.30%026%0.26CS..Hα-helixtrans-64.8-35.9-177.3-66-47.8-57.100112.6T502 H508 L509 A510 L561 E574 F575 F578T502-M506 HydrophobicContact CG2-CG 4.08Å; T502-M506 WeakPolarHBondContact O-CG 3.3Å; T502-M506 PolarHBondContact O-N 2.93Å; M506-H508 VanDerWaalsContact C-N 3.35Å; M506-L509 PolarHBondContact O-N 3.46Å; M506-L509 HydrophobicContact SD-CD1 4.19Å; M506-A510 WeakPolarHBondContact O-CB 3.4Å; M506-A510 PolarHBondContact O-N 3.38Å; M506-L561 HydrophobicContact SD-CD1 4.22Å; M506-E574 HydrophobicContact CB-CB 4.02Å; M506-F575 HydrophobicContact CE-CD1 3.45Å; M506-F575 VanDerWaalsContact CE-CD1 3.45Å; M506-F575 HydrophobicContact CE-CE1 3.5Å; M506-F575 VanDerWaalsContact CE-CE1 3.5Å; M506-F575 HydrophobicContact CE-CG 4.3Å; M506-F575 HydrophobicContact CE-CZ 4.36Å; M506-F575 HydrophobicContact CG-CD1 4.33Å; M506-F575 HydrophobicContact CG-CE1 3.92Å; M506-F575 HydrophobicContact CG-CE2 4.19Å; M506-F575 HydrophobicContact CG-CZ 3.83Å; M506-F575 HydrophobicContact SD-CD1 4.02Å; M506-F575 HydrophobicContact SD-CE1 3.43Å; M506-F575 WeakPolarHBondContact SD-CE1 3.32Å; M506-F575 HydrophobicContact SD-CZ 3.82Å; M506-F578 HydrophobicContact CE-CB 3.42Å; M506-F578 VanDerWaalsContact CE-CB 3.42Å; M506-F578 HydrophobicContact CE-CD1 3.69Å; M506-F578 HydrophobicContact CE-CD2 3.94Å; M506-F578 HydrophobicContact CE-CE1 4.45Å; M506-F578 HydrophobicContact CE-CG 3.38Å
507K94.3Very high90.5Very high132 Ų13249.4 Ų49.457%0.57427%0.271SS*.Hα-helixtrans-61.4-42172-76.9179.4179.2-176.10112.3R503 A504 V505R503-K507 HydrophobicContact CG-CD 4.5Å; R503-K507 WeakPolarHBondContact O-CG 3.4Å; R503-K507 PolarHBondContact O-N 3.23Å; R503-K507 VanDerWaalsContact O-N 3.15Å; A504-K507 PolarHBondContact O-N 3.22Å; V505-K507 VanDerWaalsContact C-N 3.32Å; V505-K507 PolarHBondContact O-N 3.11Å
508H95.3Very high89.4Confident40 Ų4048.7 Ų48.719%0.18526%0.264CS..Hα-helixtrans-63.8-50.7174.6178.673.7000111.3L474 M477 A504 V505 M506 A510 A511L474-H508 HydrophobicContact CB-CB 4.47Å; L474-H508 HydrophobicContact CD1-CB 4.35Å; L474-H508 PolarHBondContact O-CE1 2.92Å; L474-H508 PolarHBondContact O-NE2 3.36Å; M477-H508 PolarHBondContact O-NE2 2.85Å; A504-H508 PolarHBondContact O-N 2.78Å; A504-H508 VanDerWaalsContact O-N 3.12Å; V505-H508 WeakPolarHBondContact O-CB 3.49Å; V505-H508 PolarHBondContact O-N 3.29Å; V505-H508 VanDerWaalsContact O-N 3.1Å; M506-H508 VanDerWaalsContact C-N 3.35Å; H508-A510 VanDerWaalsContact C-N 3.3Å; H508-A510 PolarHBondContact O-N 3.42Å; H508-A511 WeakPolarHBondContact O-CB 3.35Å; H508-A511 PolarHBondContact O-N 3.21Å
509L94.9Very high87.9Confident1 Ų153.3 Ų53.31%0.00529%0.286CS..Hα-helixtrans-62.6-33.4-177.6-65.1-174.8000113.3I483 L491 V505 M506 A511 V512 F554 L561 F578I483-L509 HydrophobicContact CD1-CD2 3.78Å; I483-L509 HydrophobicContact CG1-CD2 4.36Å; I483-L509 HydrophobicContact CG2-CD2 3.97Å; L491-L509 HydrophobicContact CD1-CD1 4.47Å; L491-L509 HydrophobicContact CD1-CD2 4.24Å; V505-L509 HydrophobicContact CG1-CD1 3.89Å; V505-L509 HydrophobicContact CG1-CG 4.12Å; V505-L509 WeakPolarHBondContact O-CG 3.4Å; V505-L509 PolarHBondContact O-N 2.83Å; M506-L509 PolarHBondContact O-N 3.46Å; M506-L509 HydrophobicContact SD-CD1 4.19Å; L509-A511 PolarHBondContact O-N 3.03Å; L509-V512 PolarHBondContact O-N 3.32Å; L509-F554 HydrophobicContact CB-CZ 4.21Å; L509-F554 HydrophobicContact CD2-CE2 4.05Å; L509-F554 HydrophobicContact CD2-CZ 4.13Å; L509-L561 HydrophobicContact CD1-CD1 3.5Å; L509-F578 HydrophobicContact CB-CD2 3.76Å; L509-F578 HydrophobicContact CB-CE2 3.85Å; L509-F578 HydrophobicContact CD1-CE2 4.49Å
510A92.8Very high86.3Confident38 Ų3851.6 Ų51.631%0.31428%0.277SS..Hα-helixtrans-63.6-26.5175.100000112.9M506 H508M506-A510 WeakPolarHBondContact O-CB 3.4Å; M506-A510 PolarHBondContact O-N 3.38Å; H508-A510 VanDerWaalsContact C-N 3.3Å; H508-A510 PolarHBondContact O-N 3.42Å
511A92.4Very high84.7Confident72 Ų7247.1 Ų47.160%0.59526%0.257SS*.THydrogen-bonded Turntrans-88.1-4.6177.700000113.9H508 L509 Y513H508-A511 WeakPolarHBondContact O-CB 3.35Å; H508-A511 PolarHBondContact O-N 3.21Å; L509-A511 PolarHBondContact O-N 3.03Å; A511-Y513 WeakPolarHBondContact O-CD1 3.47Å; A511-Y513 PolarHBondContact O-N 2.73Å
512V91.6Very high82.9Confident17 Ų1748.9 Ų48.910%0.10327%0.269CS..  trans-81.3118.9-178.1176.60000111I480 I483 L509 F554I480-V512 HydrophobicContact CG1-CG1 3.83Å; I483-V512 HydrophobicContact CD1-CB 4.46Å; I483-V512 HydrophobicContact CD1-CG1 4Å; I483-V512 HydrophobicContact CD1-CG2 3.96Å; L509-V512 PolarHBondContact O-N 3.32Å; V512-F554 HydrophobicContact CB-CE1 4.41Å; V512-F554 HydrophobicContact CB-CZ 4.15Å; V512-F554 HydrophobicContact CG1-CZ 4.31Å
513Y84.9Confident80.7Confident178 Ų17851.2 Ų51.270%0.69828%0.281SS*.  trans-120.6-10.5176.760.3-89.2000113.8A511A511-Y513 WeakPolarHBondContact O-CD1 3.47Å; A511-Y513 PolarHBondContact O-N 2.73Å
514Q84.4Confident78.1Confident85 Ų8550.7 Ų50.740%0.39729%0.287SS..BIsolated β-bridgetrans-83124.7-177.2-58.9-17817.200110.7V478 S479 I480V478-Q514 VanDerWaalsContact CG1-CD 3.48Å; S479-Q514 CarbonylContact C-O 3.52Å; S479-Q514 WeakPolarHBondContact CA-O 3.47Å; I480-Q514 WeakPolarHBondContact CG1-O 2.97Å; I480-Q514 PolarHBondContact N-O 2.8Å
515H79.4Confident75.2Confident43 Ų4355.8 Ų55.820%0.19931%0.305CS..  trans-78-26.2-177.3-73.2-88.6000114.4S481 L518 N550S481-H515 PolarHBondContact N-O 2.74Å; H515-L518 HydrophobicContact CB-CD2 4.07Å; H515-N550 PolarHBondContact O-ND2 2.54Å
516G79.9Confident71.9Confident46 Ų4665.4 Ų65.447%0.47434%0.341SS..  trans68.4-142.2-173.200000112.7S481S481-G516 WeakPolarHBondContact OG-CA 3.48Å
517C69.9Low68.8Low59 Ų5969.7 Ų69.740%0.39937%0.369SS..  trans-77.7125-176.6-174.40000111.8S481S481-C517 PolarHBondContact OG-N 3.17Å; S481-C517 VanDerWaalsContact OG-N 3.13Å
518L69.5Low66Low28 Ų2864.8 Ų64.815%0.14735%0.349CS..  trans-97.6-0177.7-61.2177.9000113.6H515 L521 Q543 L546 K547 N550H515-L518 HydrophobicContact CB-CD2 4.07Å; L518-L521 HydrophobicContact CD2-CD1 4.01Å; L518-L521 PolarHBondContact O-N 3.27Å; L518-Q543 HydrophobicContact CD1-CG 3.77Å; L518-L546 HydrophobicContact CB-CB 4.14Å; L518-L546 HydrophobicContact CB-CD1 4.19Å; L518-L546 HydrophobicContact CD1-CB 4.11Å; L518-L546 HydrophobicContact CD2-CB 4.41Å; L518-L546 HydrophobicContact CG-CB 4.46Å; L518-K547 HydrophobicContact CD1-CG 4.02Å; L518-N550 HydrophobicContact CD2-CB 4.16Å
519L61.6Low63.3Low120 Ų12067.8 Ų67.863%0.62836%0.358SS*.THydrogen-bonded Turntrans-61.9136.4-177.8-68.9167.8000111.2L521L519-L521 PolarHBondContact O-N 2.96Å
520G57.4Low60.4Low7 Ų772.2 Ų72.27%0.07238%0.375CS..THydrogen-bonded Turntrans735177.100000116.6R285 S522R285-G520 VanDerWaalsContact O-CA 3.32Å; R285-G520 WeakPolarHBondContact O-CA 3.47Å; G520-S522 VanDerWaalsContact C-N 3.28Å
521L58.6Low57.3Low14 Ų1476.3 Ų76.37%0.07339%0.388CS..  trans-79-11.8164.8-64.7176.7000112.6R285 L518 L519 I523 L546 I549 N550R285-L521 HydrophobicContact CB-CD2 4.44Å; L518-L521 HydrophobicContact CD2-CD1 4.01Å; L518-L521 PolarHBondContact O-N 3.27Å; L519-L521 PolarHBondContact O-N 2.96Å; L521-I523 PolarHBondContact O-N 3.19Å; L521-L546 HydrophobicContact CB-CD2 3.88Å; L521-I549 HydrophobicContact CB-CG2 4.31Å; L521-I549 HydrophobicContact CD2-CG2 4.29Å; L521-N550 HydrophobicContact CD1-CB 3.68Å
522S55.6Low54.7Low36 Ų3674 Ų7425%0.25236%0.364SS..  trans-67.1122.2-179.4-168.60000110.8G520 E542 L546G520-S522 VanDerWaalsContact C-N 3.28Å; S522-E542 PolarHBondContact OG-OE1 3.5Å; S522-L546 VanDerWaalsContact CA-CD2 3.48Å; S522-L546 VanDerWaalsContact N-CD2 3.34Å
523I50.3Low52.1Low49 Ų4974.6 Ų74.625%0.25137%0.369SS..  trans-89.1-13.9-178.4-65.1172000110.8H145 L521 I549H145-I523 HydrophobicContact CB-CG2 4.21Å; H145-I523 WeakPolarHBondContact CD2-CG2 3.17Å; L521-I523 PolarHBondContact O-N 3.19Å; I523-I549 HydrophobicContact CD1-CD1 3.61Å; I523-I549 HydrophobicContact CD1-CG1 4.24Å; I523-I549 HydrophobicContact CG1-CD1 4.07Å
524T39.2Very low49.7Very low73 Ų7366.8 Ų66.845%0.44834%0.339SS..  trans-111.5100.6-171.149.30000111.8
525K35.2Very low47.4Very low132 Ų13264 Ų6457%0.57433%0.327SS*.  trans-90.43170.3-89.8-172.6175.6-179.10114.6Q289Q289-K525 WeakPolarHBondContact O-CE 3.45Å; Q289-K525 PolarHBondContact O-NZ 3.06Å
526R28.1Very low45.4Very low204 Ų20462.9 Ų62.977%0.7732%0.324SS*.SBendtrans-110.3154.2170.3-87-170.3179.4-173.61.2110.2L528R526-L528 PolarHBondContact O-N 3.5Å
527P28.7Very low43.2Very low90 Ų9061.2 Ų61.258%0.58430%0.304SS*.  trans-50.2130.7-13322.9-31.7000112.7W529P527-W529 PolarHBondContact O-N 2.82Å
528L36.2Very low41.3Very low29 Ų2965.9 Ų65.915%0.15232%0.318CS..SBendtrans-57-2.3-173.3-79.9172000115.6R526 E542 E999 K1020R526-L528 PolarHBondContact O-N 3.5Å; L528-E542 WeakPolarHBondContact CD2-OE1 3.49Å; L528-E999 WeakPolarHBondContact CD1-OE2 3.39Å; L528-K1020 HydrophobicContact CD1-CD 3.32Å
529W38.2Very low39.7Very low103 Ų10368.7 Ų68.739%0.3933%0.333SS..SBendtrans-144.6122.1178.2-61.192000108.1P527 E999P527-W529 PolarHBondContact O-N 2.82Å; W529-E999 PolarHBondContact NE1-OE2 2.95Å
530R33.8Very low38.6Very low94 Ų9464.6 Ų64.636%0.35531%0.313SS..SBendtrans97.530178.4-52.5-164.9-169.5152.314.1120.3H800 E857R530-H800 PolarHBondContact NH1-NE2 3.47Å; R530-E857 IonicContact CZ-OE1 3.59Å; R530-E857 IonicContact CZ-OE2 3.74Å; R530-E857 IonicContact NH1-OE1 2.71Å; R530-E857 IonicContact NH1-OE2 3.67Å; R530-E857 PolarHBondContact NH1-OE2 3Å; R530-E857 IonicContact NH2-OE1 3.84Å; R530-E857 PolarHBondContact NH2-OE1 3.06Å; R530-E857 IonicContact NH2-OE2 3.53Å; R530-E857 PolarHBondContact NH2-OE2 3.26Å
531Q29.3Very low38.3Very low124 Ų12466.8 Ų66.858%0.57933%0.325SS*.  trans-135.9121.9156.5-97.5-176.1-11.600111.7
532E36.9Very low38Very low23 Ų2368.3 Ų68.311%0.10733%0.331CS..  trans-107.7127.3-159-73.4-167.8149.100112.7S536 K695 M718 H744 R797E532-S536 WeakPolarHBondContact CB-OG 3.48Å; E532-S536 VanDerWaalsContact CD-OG 3.22Å; E532-S536 WeakPolarHBondContact CG-OG 3.11Å; E532-S536 PolarHBondContact OE1-OG 3.26Å; E532-K695 PolarHBondContact O-NZ 2.98Å; E532-M718 WeakPolarHBondContact O-CE 3.37Å; E532-H744 IonicContact OE2-CE1 2.61Å; E532-R797 IonicContact OE1-CZ 3.66Å; E532-R797 IonicContact OE1-NH1 2.86Å; E532-R797 PolarHBondContact OE1-NH1 3.38Å; E532-R797 IonicContact OE1-NH2 4Å; E532-R797 IonicContact OE2-NH1 3.01Å; E532-R797 PolarHBondContact OE2-NH1 3.49Å
533S37Very low38Very low29 Ų2970.2 Ų70.220%0.20334%0.336CS..  trans-91.5157.1148.766.20000107.7Q535 S536S533-Q535 PolarHBondContact O-N 3.3Å; S533-S536 VanDerWaalsContact O-CB 3.23Å; S533-S536 WeakPolarHBondContact O-CB 3.27Å; S533-S536 PolarHBondContact O-N 2.9Å; S533-S536 PolarHBondContact O-OG 2.93Å
534L34.7Very low38.6Very low14 Ų1472.1 Ų72.17%0.07334%0.344CS..G310 helixtrans-63.3-9.5-173.3-129.9160.3000113.5S536 V537 Q693 S716 M718 T740L534-S536 PolarHBondContact O-N 2.78Å; L534-V537 HydrophobicContact CD2-CG2 4.18Å; L534-Q693 HydrophobicContact CB-CG 3.94Å; L534-Q693 HydrophobicContact CD1-CG 3.97Å; L534-S716 WeakPolarHBondContact CD1-OG 3.5Å; L534-S716 WeakPolarHBondContact CD2-OG 3.12Å; L534-M718 HydrophobicContact CB-CE 4.27Å; L534-M718 HydrophobicContact CD1-CB 3.43Å; L534-M718 VanDerWaalsContact CD1-CB 3.43Å; L534-M718 HydrophobicContact CG-CB 3.96Å; L534-T740 HydrophobicContact CD2-CG2 3.98Å
535Q36.7Very low39.9Very low28 Ų2871 Ų7113%0.13134%0.335CS..G310 helixtrans-63.6-18.6165.2-75.9178.5-27.200113.8S533 V537 T540S533-Q535 PolarHBondContact O-N 3.3Å; Q535-V537 VanDerWaalsContact C-N 3.34Å; Q535-V537 PolarHBondContact O-N 3.45Å; Q535-T540 PolarHBondContact O-OG1 3.39Å
536S36.1Very low41.5Very low19 Ų1965.6 Ų65.613%0.13331%0.312CS..G310 helixtrans-77.8-9.1-17859.50000115.4E532 S533 L534 K538 T540E532-S536 WeakPolarHBondContact CB-OG 3.48Å; E532-S536 VanDerWaalsContact CD-OG 3.22Å; E532-S536 WeakPolarHBondContact CG-OG 3.11Å; E532-S536 PolarHBondContact OE1-OG 3.26Å; S533-S536 VanDerWaalsContact O-CB 3.23Å; S533-S536 WeakPolarHBondContact O-CB 3.27Å; S533-S536 PolarHBondContact O-N 2.9Å; S533-S536 PolarHBondContact O-OG 2.93Å; L534-S536 PolarHBondContact O-N 2.78Å; S536-K538 VanDerWaalsContact C-N 3.26Å; S536-K538 PolarHBondContact O-N 2.91Å; S536-K538 VanDerWaalsContact O-N 3.14Å; S536-T540 WeakPolarHBondContact CA-OG1 3.37Å; S536-T540 PolarHBondContact O-OG1 3.4Å
537V34.7Very low43.9Very low10 Ų1059.1 Ų59.16%0.06129%0.29CS..THydrogen-bonded Turntrans-87.718.9-162.8-175.70000113L534 Q535 T740 K767 I769L534-V537 HydrophobicContact CD2-CG2 4.18Å; Q535-V537 VanDerWaalsContact C-N 3.34Å; Q535-V537 PolarHBondContact O-N 3.45Å; V537-T740 HydrophobicContact CG1-CG2 3.86Å; V537-K767 HydrophobicContact CG1-CB 4.17Å; V537-K767 HydrophobicContact CG1-CD 3.4Å; V537-K767 VanDerWaalsContact CG1-CD 3.4Å; V537-K767 HydrophobicContact CG1-CG 4.4Å; V537-K767 PolarHBondContact O-NZ 2.95Å; V537-I769 HydrophobicContact CB-CD1 4.35Å; V537-I769 HydrophobicContact CG1-CD1 3.85Å; V537-I769 HydrophobicContact CG2-CD1 3.7Å
538K30Very low46.3Very low158 Ų15855.9 Ų55.969%0.68727%0.27SS*.THydrogen-bonded Turntrans-140.371.3173-85-169171.6-170.10111.2S536 T540S536-K538 VanDerWaalsContact C-N 3.26Å; S536-K538 PolarHBondContact O-N 2.91Å; S536-K538 VanDerWaalsContact O-N 3.14Å; K538-T540 HydrophobicContact CB-CG2 4.36Å; K538-T540 WeakPolarHBondContact O-CA 3.42Å; K538-T540 WeakPolarHBondContact O-CG2 3.37Å; K538-T540 PolarHBondContact O-N 3.02Å
539N36Very low48.3Very low87 Ų8755.9 Ų55.947%0.46527%0.27SS..THydrogen-bonded Turntrans39.832.6175.6-82.4-33.8000114.7T541 E824 I852N539-T541 PolarHBondContact O-N 3.48Å; N539-E824 PolarHBondContact ND2-OE1 3.12Å; N539-E824 PolarHBondContact OD1-OE1 3.16Å; N539-I852 VanDerWaalsContact OD1-CD1 3.28Å; N539-I852 WeakPolarHBondContact OD1-CD1 3.4Å
540T38.5Very low50.4Low33 Ų3351 Ų5120%0.20225%0.252CS..  trans-8599.2-166.933.30000104.3Q535 S536 K538 E544Q535-T540 PolarHBondContact O-OG1 3.39Å; S536-T540 WeakPolarHBondContact CA-OG1 3.37Å; S536-T540 PolarHBondContact O-OG1 3.4Å; K538-T540 HydrophobicContact CB-CG2 4.36Å; K538-T540 WeakPolarHBondContact O-CA 3.42Å; K538-T540 WeakPolarHBondContact O-CG2 3.37Å; K538-T540 PolarHBondContact O-N 3.02Å; T540-E544 VanDerWaalsContact CA-OE2 3.23Å; T540-E544 WeakPolarHBondContact CA-OE2 3.43Å; T540-E544 WeakPolarHBondContact CB-OE2 3.5Å; T540-E544 HydrophobicContact CG2-CB 3.99Å; T540-E544 WeakPolarHBondContact CG2-OE2 3.45Å
541T51.3Low53Low53 Ų5348 Ų4833%0.32524%0.242SC..  trans-45.1147.516852.50000109.1N539 Q543 E544N539-T541 PolarHBondContact O-N 3.48Å; T541-Q543 CarbonylContact O-C 3.59Å; T541-Q543 PolarHBondContact O-N 3.05Å; T541-E544 WeakPolarHBondContact O-CB 3.27Å; T541-E544 PolarHBondContact O-N 3.29Å
542E52.6Low55.7Low46 Ų4643 Ų4322%0.21522%0.219CC..Hα-helixtrans-44.8-36.3173.9-179.2-178.6-177.300111S522 L528 E544 I545 L546S522-E542 PolarHBondContact OG-OE1 3.5Å; L528-E542 WeakPolarHBondContact CD2-OE1 3.49Å; E542-E544 VanDerWaalsContact C-N 3.32Å; E542-E544 PolarHBondContact O-N 3.48Å; E542-I545 PolarHBondContact O-N 3.32Å; E542-I545 VanDerWaalsContact O-N 3.15Å; E542-L546 HydrophobicContact CG-CD1 3.97Å; E542-L546 HydrophobicContact CG-CG 4.18Å; E542-L546 VanDerWaalsContact O-CG 3.29Å; E542-L546 WeakPolarHBondContact O-CG 3.39Å; E542-L546 PolarHBondContact O-N 3.45Å
543Q54.6Low58Low76 Ų7643.7 Ų43.736%0.35523%0.227SC..Hα-helixtrans-53.2-38.8173.5-158.1179.64.900114.5L518 T541 K547L518-Q543 HydrophobicContact CD1-CG 3.77Å; T541-Q543 CarbonylContact O-C 3.59Å; T541-Q543 PolarHBondContact O-N 3.05Å; Q543-K547 WeakPolarHBondContact O-CB 3.25Å; Q543-K547 WeakPolarHBondContact O-CG 3.29Å; Q543-K547 PolarHBondContact O-N 3.14Å
544E62.5Low60.6Low90 Ų9042.3 Ų42.342%0.42122%0.217SC..Hα-helixtrans-71.9-36.5177.2-70.9-176176.700112.7T540 T541 E542 K547 A548T540-E544 VanDerWaalsContact CA-OE2 3.23Å; T540-E544 WeakPolarHBondContact CA-OE2 3.43Å; T540-E544 WeakPolarHBondContact CB-OE2 3.5Å; T540-E544 HydrophobicContact CG2-CB 3.99Å; T540-E544 WeakPolarHBondContact CG2-OE2 3.45Å; T541-E544 WeakPolarHBondContact O-CB 3.27Å; T541-E544 PolarHBondContact O-N 3.29Å; E542-E544 VanDerWaalsContact C-N 3.32Å; E542-E544 PolarHBondContact O-N 3.48Å; E544-K547 PolarHBondContact O-N 3.36Å; E544-A548 WeakPolarHBondContact O-CB 3.43Å; E544-A548 PolarHBondContact O-N 3.22Å
545I68.1Low63.3Low48 Ų4841.6 Ų41.625%0.24621%0.214CC..Hα-helixtrans-64.6-46.7172.5-62.7171.6000109.7E542 K547 A548 I549E542-I545 PolarHBondContact O-N 3.32Å; E542-I545 VanDerWaalsContact O-N 3.15Å; I545-K547 VanDerWaalsContact C-N 3.34Å; I545-K547 PolarHBondContact O-N 3.31Å; I545-A548 WeakPolarHBondContact O-CB 2.97Å; I545-A548 PolarHBondContact O-N 3.2Å; I545-I549 HydrophobicContact CG2-CD1 4.04Å; I545-I549 WeakPolarHBondContact O-CG1 3.32Å; I545-I549 PolarHBondContact O-N 3.48Å
546L68Low65.8Low19 Ų1944.1 Ų44.110%0.09923%0.226CC..Hα-helixtrans-63.5-39.1177.5-63.4175.6000111.9L518 L521 S522 E542 I549 N550L518-L546 HydrophobicContact CB-CB 4.14Å; L518-L546 HydrophobicContact CB-CD1 4.19Å; L518-L546 HydrophobicContact CD1-CB 4.11Å; L518-L546 HydrophobicContact CD2-CB 4.41Å; L518-L546 HydrophobicContact CG-CB 4.46Å; L521-L546 HydrophobicContact CB-CD2 3.88Å; S522-L546 VanDerWaalsContact CA-CD2 3.48Å; S522-L546 VanDerWaalsContact N-CD2 3.34Å; E542-L546 HydrophobicContact CG-CD1 3.97Å; E542-L546 HydrophobicContact CG-CG 4.18Å; E542-L546 VanDerWaalsContact O-CG 3.29Å; E542-L546 WeakPolarHBondContact O-CG 3.39Å; E542-L546 PolarHBondContact O-N 3.45Å; L546-I549 PolarHBondContact O-N 2.89Å; L546-N550 WeakPolarHBondContact O-CB 3.48Å; L546-N550 PolarHBondContact O-N 3.46Å
547K78.8Confident68.3Low69 Ų6943.5 Ų43.530%0.322%0.221SC..Hα-helixtrans-60.1-45.2172.5-78.4172.4-178.7173.50111.2L518 Q543 E544 I545 N550 I551L518-K547 HydrophobicContact CD1-CG 4.02Å; Q543-K547 WeakPolarHBondContact O-CB 3.25Å; Q543-K547 WeakPolarHBondContact O-CG 3.29Å; Q543-K547 PolarHBondContact O-N 3.14Å; E544-K547 PolarHBondContact O-N 3.36Å; I545-K547 VanDerWaalsContact C-N 3.34Å; I545-K547 PolarHBondContact O-N 3.31Å; K547-N550 WeakPolarHBondContact O-CB 3.19Å; K547-N550 PolarHBondContact O-N 3.21Å; K547-I551 WeakPolarHBondContact O-CG1 3.49Å; K547-I551 PolarHBondContact O-N 3.21Å
548A79.7Confident71Confident21 Ų2143 Ų4317%0.17422%0.218CC..Hα-helixtrans-62.8-41.6177.500000112.3E544 I545 N550 I551 N552E544-A548 WeakPolarHBondContact O-CB 3.43Å; E544-A548 PolarHBondContact O-N 3.22Å; I545-A548 WeakPolarHBondContact O-CB 2.97Å; I545-A548 PolarHBondContact O-N 3.2Å; A548-N550 VanDerWaalsContact C-N 3.34Å; A548-N550 PolarHBondContact O-N 2.74Å; A548-I551 PolarHBondContact O-N 3.39Å; A548-N552 PolarHBondContact O-N 3.32Å; A548-N552 VanDerWaalsContact O-N 3.08Å; A548-N552 PolarHBondContact O-ND2 3.14Å
549I77.3Confident73.9Confident30 Ų3035.5 Ų35.515%0.15419%0.186CC..Hα-helixtrans-61.2-44.8174.2-66.1165000110.5L521 I523 I545 L546 I551 N552 S553L521-I549 HydrophobicContact CB-CG2 4.31Å; L521-I549 HydrophobicContact CD2-CG2 4.29Å; I523-I549 HydrophobicContact CD1-CD1 3.61Å; I523-I549 HydrophobicContact CD1-CG1 4.24Å; I523-I549 HydrophobicContact CG1-CD1 4.07Å; I545-I549 HydrophobicContact CG2-CD1 4.04Å; I545-I549 WeakPolarHBondContact O-CG1 3.32Å; I545-I549 PolarHBondContact O-N 3.48Å; L546-I549 PolarHBondContact O-N 2.89Å; I549-I551 VanDerWaalsContact C-N 3.3Å; I549-I551 PolarHBondContact O-N 2.84Å; I549-N552 WeakPolarHBondContact O-CB 3.17Å; I549-N552 PolarHBondContact O-N 2.91Å; I549-N552 VanDerWaalsContact O-N 3.14Å; I549-S553 PolarHBondContact O-N 3.28Å
550N82.9Confident76.4Confident0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-62.3-36.8178-157.720000112.1H515 L518 L521 L546 K547 A548 S553 F554H515-N550 PolarHBondContact O-ND2 2.54Å; L518-N550 HydrophobicContact CD2-CB 4.16Å; L521-N550 HydrophobicContact CD1-CB 3.68Å; L546-N550 WeakPolarHBondContact O-CB 3.48Å; L546-N550 PolarHBondContact O-N 3.46Å; K547-N550 WeakPolarHBondContact O-CB 3.19Å; K547-N550 PolarHBondContact O-N 3.21Å; A548-N550 VanDerWaalsContact C-N 3.34Å; A548-N550 PolarHBondContact O-N 2.74Å; N550-S553 PolarHBondContact O-N 2.81Å; N550-F554 PolarHBondContact O-N 3.4Å
551I88.5Confident78.9Confident30 Ų3031.3 Ų31.315%0.15416%0.161CC..Hα-helixtrans-63.4-41.3173.4-68.5-62.9000111.6I480 K547 A548 I549 S553 F554 V555 K582I480-I551 HydrophobicContact CD1-CD1 3.71Å; K547-I551 WeakPolarHBondContact O-CG1 3.49Å; K547-I551 PolarHBondContact O-N 3.21Å; A548-I551 PolarHBondContact O-N 3.39Å; I549-I551 VanDerWaalsContact C-N 3.3Å; I549-I551 PolarHBondContact O-N 2.84Å; I551-S553 VanDerWaalsContact C-N 3.33Å; I551-S553 PolarHBondContact O-N 2.96Å; I551-F554 WeakPolarHBondContact O-CA 3.37Å; I551-F554 WeakPolarHBondContact O-CB 3.4Å; I551-F554 PolarHBondContact O-N 3Å; I551-V555 HydrophobicContact CG2-CG2 4.34Å; I551-V555 WeakPolarHBondContact O-CG2 3.36Å; I551-V555 PolarHBondContact O-N 3.45Å; I551-K582 HydrophobicContact CG2-CB 3.77Å; I551-K582 HydrophobicContact CG2-CD 4.5Å; I551-K582 HydrophobicContact CG2-CG 4.07Å
552N85.8Confident80.7Confident19 Ų1929.3 Ų29.310%0.10215%0.148CC..Hα-helixtrans-59.9-44.8177.6-65-30.2000111.2A548 I549 F554 V555 E556 S583A548-N552 PolarHBondContact O-N 3.32Å; A548-N552 VanDerWaalsContact O-N 3.08Å; A548-N552 PolarHBondContact O-ND2 3.14Å; I549-N552 WeakPolarHBondContact O-CB 3.17Å; I549-N552 PolarHBondContact O-N 2.91Å; I549-N552 VanDerWaalsContact O-N 3.14Å; N552-F554 PolarHBondContact O-N 3.34Å; N552-V555 PolarHBondContact O-N 3.42Å; N552-E556 WeakPolarHBondContact O-CB 3.25Å; N552-E556 PolarHBondContact O-N 3.01Å; N552-S583 WeakPolarHBondContact OD1-CB 3.16Å; N552-S583 PolarHBondContact OD1-O 3.23Å; N552-S583 PolarHBondContact OD1-OG 2.81Å
553S84.7Confident82.3Confident38 Ų3830.6 Ų30.627%0.26615%0.153SC..Hα-helixtrans-62.6-32.3174.5-59.30000112.5I549 N550 I551 C557I549-S553 PolarHBondContact O-N 3.28Å; N550-S553 PolarHBondContact O-N 2.81Å; I551-S553 VanDerWaalsContact C-N 3.33Å; I551-S553 PolarHBondContact O-N 2.96Å; S553-C557 WeakPolarHBondContact O-CB 3.39Å; S553-C557 PolarHBondContact O-N 3.42Å
554F91.1Very high83.9Confident0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-70.4-43176.9-163.8-151.3000112.4I480 I483 T484 L509 V512 N550 I551 N552 C557 G558 F578I480-F554 HydrophobicContact CD1-CD1 3.79Å; I480-F554 HydrophobicContact CD1-CE1 4.1Å; I480-F554 HydrophobicContact CD1-CG 4.44Å; I480-F554 HydrophobicContact CG1-CD1 3.84Å; I480-F554 HydrophobicContact CG1-CE1 3.89Å; I480-F554 HydrophobicContact CG1-CG 4.24Å; I480-F554 HydrophobicContact CG1-CZ 4.34Å; I480-F554 HydrophobicContact CG2-CB 3.63Å; I480-F554 HydrophobicContact CG2-CD1 4.15Å; I480-F554 HydrophobicContact CG2-CD2 4.13Å; I480-F554 HydrophobicContact CG2-CG 3.73Å; I483-F554 HydrophobicContact CB-CE2 4.39Å; I483-F554 HydrophobicContact CD1-CE2 4.21Å; I483-F554 HydrophobicContact CD1-CZ 4.35Å; I483-F554 HydrophobicContact CG2-CD2 4.34Å; I483-F554 HydrophobicContact CG2-CE2 3.82Å; T484-F554 HydrophobicContact CG2-CB 4.15Å; T484-F554 HydrophobicContact CG2-CD2 3.98Å; L509-F554 HydrophobicContact CB-CZ 4.21Å; L509-F554 HydrophobicContact CD2-CE2 4.05Å; L509-F554 HydrophobicContact CD2-CZ 4.13Å; V512-F554 HydrophobicContact CB-CE1 4.41Å; V512-F554 HydrophobicContact CB-CZ 4.15Å; V512-F554 HydrophobicContact CG1-CZ 4.31Å; N550-F554 PolarHBondContact O-N 3.4Å; I551-F554 WeakPolarHBondContact O-CA 3.37Å; I551-F554 WeakPolarHBondContact O-CB 3.4Å; I551-F554 PolarHBondContact O-N 3Å; N552-F554 PolarHBondContact O-N 3.34Å; F554-C557 WeakPolarHBondContact O-CB 3.45Å; F554-C557 PolarHBondContact O-N 2.93Å; F554-G558 PolarHBondContact O-N 3.3Å; F554-F578 HydrophobicContact CD1-CE2 4.01Å; F554-F578 HydrophobicContact CD1-CZ 4.15Å; F554-F578 HydrophobicContact CD2-CE2 4.27Å; F554-F578 HydrophobicContact CD2-CZ 4.14Å; F554-F578 AromaticContact CE1-CE2 3.6Å; F554-F578 HydrophobicContact CE1-CE2 3.6Å; F554-F578 HydrophobicContact CE1-CZ 4.19Å; F554-F578 AromaticContact CE2-CE2 3.87Å; F554-F578 HydrophobicContact CE2-CE2 3.87Å; F554-F578 HydrophobicContact CE2-CZ 4.16Å; F554-F578 HydrophobicContact CG-CE2 4.35Å; F554-F578 HydrophobicContact CG-CZ 4.14Å; F554-F578 AromaticContact CZ-CE2 3.53Å; F554-F578 HydrophobicContact CZ-CE2 3.53Å; F554-F578 HydrophobicContact CZ-CZ 4.21Å; F554-F578 WeakPolarHBondContact O-CZ 3.3Å
555V91.7Very high85Confident0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-62-46.2174.9167.50000110.5I551 N552 C557 G558 I559 F579 K582 S583 L584 L609I551-V555 HydrophobicContact CG2-CG2 4.34Å; I551-V555 WeakPolarHBondContact O-CG2 3.36Å; I551-V555 PolarHBondContact O-N 3.45Å; N552-V555 PolarHBondContact O-N 3.42Å; V555-C557 VanDerWaalsContact C-N 3.34Å; V555-C557 PolarHBondContact O-N 3.14Å; V555-G558 WeakPolarHBondContact O-CA 3.42Å; V555-G558 PolarHBondContact O-N 3.07Å; V555-G558 VanDerWaalsContact O-N 3.09Å; V555-I559 HydrophobicContact CG1-CD1 4.24Å; V555-I559 WeakPolarHBondContact O-CG1 3.36Å; V555-I559 PolarHBondContact O-N 2.99Å; V555-F579 HydrophobicContact CB-CE1 4.4Å; V555-F579 HydrophobicContact CG1-CD1 3.89Å; V555-F579 HydrophobicContact CG1-CE1 3.75Å; V555-F579 HydrophobicContact CG2-CD1 4.32Å; V555-K582 HydrophobicContact CG2-CB 3.5Å; V555-K582 VanDerWaalsContact CG2-CB 3.5Å; V555-K582 HydrophobicContact CG2-CD 3.87Å; V555-K582 HydrophobicContact CG2-CG 4.29Å; V555-S583 WeakPolarHBondContact CG2-O 3.13Å; V555-L584 HydrophobicContact CG1-CB 4.13Å; V555-L584 HydrophobicContact CG1-CD1 3.84Å; V555-L609 HydrophobicContact CG1-CD2 4.26Å; V555-L609 HydrophobicContact CG2-CD2 4.43Å
556E88.8Confident85.5Confident81 Ų8125 Ų2538%0.37913%0.132SC..Hα-helixtrans-59.6-43.3176.1-177.9166.3-140.200112.1N552 G558 I559 H560 Y594N552-E556 WeakPolarHBondContact O-CB 3.25Å; N552-E556 PolarHBondContact O-N 3.01Å; E556-G558 VanDerWaalsContact C-N 3.33Å; E556-G558 PolarHBondContact O-N 2.72Å; E556-I559 PolarHBondContact O-N 3.14Å; E556-I559 VanDerWaalsContact O-N 3.15Å; E556-H560 PolarHBondContact O-CD2 3.37Å; E556-H560 PolarHBondContact O-N 3Å; E556-Y594 PolarHBondContact OE1-OH 3.26Å
557C89.6Confident86Confident5 Ų524.5 Ų24.53%0.03413%0.13CC..Hα-helixtrans-55.4-47.2171.4-1760000111.5T484 S553 F554 V555 I559 H560 L561T484-C557 HydrophobicContact CG2-CB 4.12Å; S553-C557 WeakPolarHBondContact O-CB 3.39Å; S553-C557 PolarHBondContact O-N 3.42Å; F554-C557 WeakPolarHBondContact O-CB 3.45Å; F554-C557 PolarHBondContact O-N 2.93Å; V555-C557 VanDerWaalsContact C-N 3.34Å; V555-C557 PolarHBondContact O-N 3.14Å; C557-I559 VanDerWaalsContact C-N 3.32Å; C557-I559 PolarHBondContact O-N 3.03Å; C557-H560 WeakPolarHBondContact O-CB 3.36Å; C557-H560 PolarHBondContact O-N 3.32Å; C557-H560 VanDerWaalsContact O-N 3.11Å; C557-L561 WeakPolarHBondContact O-CG 3.39Å; C557-L561 PolarHBondContact O-N 2.98Å
558G91.6Very high85.9Confident1 Ų128.3 Ų28.31%0.0115%0.147CC..Hα-helixtrans-59.4-37.7176.200000113.9F554 V555 E556 L561 Y562F554-G558 PolarHBondContact O-N 3.3Å; V555-G558 WeakPolarHBondContact O-CA 3.42Å; V555-G558 PolarHBondContact O-N 3.07Å; V555-G558 VanDerWaalsContact O-N 3.09Å; E556-G558 VanDerWaalsContact C-N 3.33Å; E556-G558 PolarHBondContact O-N 2.72Å; G558-L561 PolarHBondContact O-N 3.34Å; G558-Y562 PolarHBondContact O-N 3.35Å
559I90.5Very high85.7Confident0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-66.5-39.1175.2-62.1168.1000110.9V555 E556 C557 Y562 H563 F579 L584 Y594 L595 F598V555-I559 HydrophobicContact CG1-CD1 4.24Å; V555-I559 WeakPolarHBondContact O-CG1 3.36Å; V555-I559 PolarHBondContact O-N 2.99Å; E556-I559 PolarHBondContact O-N 3.14Å; E556-I559 VanDerWaalsContact O-N 3.15Å; C557-I559 VanDerWaalsContact C-N 3.32Å; C557-I559 PolarHBondContact O-N 3.03Å; I559-Y562 WeakPolarHBondContact O-CB 3.29Å; I559-Y562 PolarHBondContact O-N 3.19Å; I559-H563 PolarHBondContact O-N 3.38Å; I559-F579 HydrophobicContact CG1-CE1 3.98Å; I559-F579 HydrophobicContact CG1-CZ 3.83Å; I559-L584 HydrophobicContact CD1-CD1 3.81Å; I559-L584 HydrophobicContact CD1-CD2 4.43Å; I559-Y594 HydrophobicContact CG2-CD2 3.54Å; I559-Y594 HydrophobicContact CG2-CE2 4.18Å; I559-Y594 HydrophobicContact CG2-CG 4.39Å; I559-L595 HydrophobicContact CD1-CD2 3.88Å; I559-F598 HydrophobicContact CD1-CD1 3.95Å; I559-F598 HydrophobicContact CD1-CE1 4.13Å; I559-F598 HydrophobicContact CD1-CG 4.28Å; I559-F598 HydrophobicContact CG1-CD1 4.28Å; I559-F598 HydrophobicContact CG1-CD2 4.14Å; I559-F598 HydrophobicContact CG1-CE1 4.45Å; I559-F598 HydrophobicContact CG1-CE2 4.29Å; I559-F598 HydrophobicContact CG1-CG 4.15Å; I559-F598 HydrophobicContact CG1-CZ 4.45Å; I559-F598 HydrophobicContact CG2-CB 4.04Å; I559-F598 HydrophobicContact CG2-CG 4.27Å
560H87.8Confident86Confident31 Ų3133 Ų3314%0.14419%0.186CC..Hα-helixtrans-63.8-39.5173.5-68.2-56000112.8R492 E556 C557 Y562 H563 E564 Y594R492-H560 HydrophobicContact CG-CB 4.48Å; E556-H560 PolarHBondContact O-CD2 3.37Å; E556-H560 PolarHBondContact O-N 3Å; C557-H560 WeakPolarHBondContact O-CB 3.36Å; C557-H560 PolarHBondContact O-N 3.32Å; C557-H560 VanDerWaalsContact O-N 3.11Å; H560-Y562 VanDerWaalsContact C-N 3.33Å; H560-H563 PolarHBondContact O-N 3.17Å; H560-E564 PolarHBondContact O-N 3.04Å; H560-Y594 AromaticContact CE1-CD1 3.93Å; H560-Y594 AromaticContact CE1-CE1 3.31Å; H560-Y594 WeakPolarHBondContact CE1-CE1 3.4Å; H560-Y594 AromaticContact CE1-CZ 3.43Å; H560-Y594 VanDerWaalsContact CE1-CZ 3.43Å; H560-Y594 AromaticContact ND1-CE1 3.96Å
561L91.2Very high86.3Confident0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-63-41.5175-62.3-177.1000111.5L491 R492 V505 M506 L509 C557 G558 E564 S565L491-L561 HydrophobicContact CB-CD1 4.36Å; L491-L561 HydrophobicContact CB-CD2 3.72Å; R492-L561 HydrophobicContact CB-CD2 4.27Å; R492-L561 HydrophobicContact CG-CD2 3.74Å; R492-L561 VanDerWaalsContact N-CD2 3.32Å; V505-L561 HydrophobicContact CG1-CD1 4.21Å; M506-L561 HydrophobicContact SD-CD1 4.22Å; L509-L561 HydrophobicContact CD1-CD1 3.5Å; C557-L561 WeakPolarHBondContact O-CG 3.39Å; C557-L561 PolarHBondContact O-N 2.98Å; G558-L561 PolarHBondContact O-N 3.34Å; L561-E564 PolarHBondContact O-N 3.37Å; L561-S565 WeakPolarHBondContact O-CB 3.36Å; L561-S565 PolarHBondContact O-N 2.78Å
562Y89.8Confident86.3Confident12 Ų1233.1 Ų33.15%0.04719%0.189CC..Hα-helixtrans-57-53.7174.2167.1-112.6000111.5G558 I559 H560 E564 S565 K568 F575 H601 L602G558-Y562 PolarHBondContact O-N 3.35Å; I559-Y562 WeakPolarHBondContact O-CB 3.29Å; I559-Y562 PolarHBondContact O-N 3.19Å; H560-Y562 VanDerWaalsContact C-N 3.33Å; Y562-E564 VanDerWaalsContact C-N 3.32Å; Y562-E564 PolarHBondContact O-N 3.43Å; Y562-S565 PolarHBondContact O-N 2.97Å; Y562-S565 PolarHBondContact O-OG 3.29Å; Y562-K568 WeakPolarHBondContact CE2-O 3.44Å; Y562-F575 VanDerWaalsContact CA-CZ 3.48Å; Y562-F575 HydrophobicContact CD2-CD2 4.31Å; Y562-F575 AromaticContact CD2-CE2 3.98Å; Y562-F575 HydrophobicContact CD2-CE2 3.98Å; Y562-F575 HydrophobicContact CD2-CZ 4.23Å; Y562-F575 HydrophobicContact CG-CZ 4.46Å; Y562-H601 WeakPolarHBondContact OH-CB 3.46Å; Y562-L602 HydrophobicContact CD1-CD1 3.9Å; Y562-L602 HydrophobicContact CD2-CD1 3.42Å; Y562-L602 VanDerWaalsContact CD2-CD1 3.42Å; Y562-L602 HydrophobicContact CD2-CG 4.27Å; Y562-L602 HydrophobicContact CE1-CD1 3.99Å; Y562-L602 HydrophobicContact CE1-CG 4.29Å; Y562-L602 HydrophobicContact CE2-CD1 3.54Å; Y562-L602 HydrophobicContact CE2-CD2 4.36Å; Y562-L602 HydrophobicContact CE2-CG 3.86Å; Y562-L602 HydrophobicContact CG-CD1 3.62Å
563H85.6Confident86.5Confident73 Ų7339.5 Ų39.534%0.33822%0.218SC..Hα-helixtrans-60.5-40.1-178.5-176.3-79.3000112.2I559 H560 D597I559-H563 PolarHBondContact O-N 3.38Å; H560-H563 PolarHBondContact O-N 3.17Å; H563-D597 IonicContact CD2-OD2 3.86Å; H563-D597 IonicContact NE2-OD2 2.75Å
564E87.6Confident86.9Confident6 Ų639.3 Ų39.33%0.02821%0.213CC..Hα-helixtrans-68.1-37.7176.4-77.7-61.7136.700113.4T358 Q359 T360 R492 G496 H560 L561 Y562 T566T358-E564 WeakPolarHBondContact CB-OE2 3.46Å; Q359-E564 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E564 WeakPolarHBondContact CG-OE2 3.33Å; T360-E564 WeakPolarHBondContact CB-OE2 3.36Å; T360-E564 PolarHBondContact N-OE2 3.04Å; T360-E564 PolarHBondContact OG1-OE2 3.47Å; R492-E564 HydrophobicContact CB-CG 4.19Å; G496-E564 VanDerWaalsContact CA-O 3.27Å; G496-E564 WeakPolarHBondContact CA-O 3.45Å; H560-E564 PolarHBondContact O-N 3.04Å; L561-E564 PolarHBondContact O-N 3.37Å; Y562-E564 VanDerWaalsContact C-N 3.32Å; Y562-E564 PolarHBondContact O-N 3.43Å; E564-T566 PolarHBondContact O-N 3.36Å
565S86.2Confident87Confident3 Ų339.3 Ų39.32%0.02121%0.213CC..Hα-helixtrans-65.1-20.3-176.671.80000114.2C495 T502 L561 Y562 S567C495-S565 WeakPolarHBondContact O-CA 3.43Å; T502-S565 WeakPolarHBondContact OG1-CB 3.48Å; L561-S565 WeakPolarHBondContact O-CB 3.36Å; L561-S565 PolarHBondContact O-N 2.78Å; Y562-S565 PolarHBondContact O-N 2.97Å; Y562-S565 PolarHBondContact O-OG 3.29Å; S565-S567 PolarHBondContact O-N 3.17Å; S565-S567 WeakPolarHBondContact OG-CB 3.14Å; S565-S567 PolarHBondContact OG-N 3.2Å; S565-S567 PolarHBondContact OG-OG 3.33Å
566T78.4Confident87.1Confident86 Ų8642.8 Ų42.853%0.52823%0.229SC..THydrogen-bonded Turntrans50.720.3-171.864.30000114.3T358 E564 K568T358-T566 HydrophobicContact CG2-CG2 3.78Å; E564-T566 PolarHBondContact O-N 3.36Å; T566-K568 PolarHBondContact O-N 3.43Å
567S78.2Confident87.3Confident9 Ų941.6 Ų41.66%0.06323%0.233CC..  trans-71.2-12.7-172.657.30000114.1S565 S569 A570S565-S567 PolarHBondContact O-N 3.17Å; S565-S567 WeakPolarHBondContact OG-CB 3.14Å; S565-S567 PolarHBondContact OG-N 3.2Å; S565-S567 PolarHBondContact OG-OG 3.33Å; S567-S569 PolarHBondContact O-N 3.41Å; S567-A570 WeakPolarHBondContact O-CB 3.32Å; S567-A570 PolarHBondContact O-N 2.88Å
568K76.1Confident87.5Confident149 Ų14941.4 Ų41.465%0.64823%0.232SC*.G310 helixtrans48.8-127.4-176.1-58.2179.6-177.9178.30109.9Y562 T566 A570Y562-K568 WeakPolarHBondContact CE2-O 3.44Å; T566-K568 PolarHBondContact O-N 3.43Å; K568-A570 VanDerWaalsContact C-N 3.34Å; K568-A570 PolarHBondContact O-N 3.04Å
569S77.4Confident87.6Confident84 Ų8441.3 Ų41.359%0.58723%0.231SC*.G310 helixtrans-82.2-3.4179.254.70000114.9S567 L571 S572S567-S569 PolarHBondContact O-N 3.41Å; S569-L571 VanDerWaalsContact C-N 3.27Å; S569-L571 PolarHBondContact O-N 3.21Å; S569-S572 WeakPolarHBondContact O-CB 3.49Å; S569-S572 PolarHBondContact O-N 3.05Å; S569-S572 PolarHBondContact O-OG 3.47Å
570A83.7Confident87.7Confident67 Ų6745.1 Ų45.155%0.55425%0.249SC*.G310 helixtrans-67.4-23.9-171.100000114.4S567 K568S567-A570 WeakPolarHBondContact O-CB 3.32Å; S567-A570 PolarHBondContact O-N 2.88Å; K568-A570 VanDerWaalsContact C-N 3.34Å; K568-A570 PolarHBondContact O-N 3.04Å
571L88.4Confident87.6Confident0 Ų045.6 Ų45.60%026%0.262CS..G310 helixtrans-115.521.7179.2-62.2-179.7000112.4V499 T502 R503 S569 Q573 E574 F575V499-L571 HydrophobicContact CG1-CD1 3.88Å; V499-L571 HydrophobicContact CG1-CD2 4.2Å; V499-L571 HydrophobicContact CG1-CG 3.99Å; T502-L571 HydrophobicContact CG2-CD1 3.44Å; T502-L571 VanDerWaalsContact CG2-CD1 3.44Å; R503-L571 HydrophobicContact CB-CD2 3.92Å; R503-L571 HydrophobicContact CG-CD2 4.34Å; S569-L571 VanDerWaalsContact C-N 3.27Å; S569-L571 PolarHBondContact O-N 3.21Å; L571-Q573 PolarHBondContact O-N 2.86Å; L571-Q573 VanDerWaalsContact O-N 3.16Å; L571-E574 WeakPolarHBondContact CA-OE2 3.41Å; L571-E574 PolarHBondContact O-N 3.4Å; L571-F575 HydrophobicContact CB-CD2 3.85Å; L571-F575 HydrophobicContact CB-CE2 3.94Å; L571-F575 HydrophobicContact CD1-CE2 4.37Å; L571-F575 VanDerWaalsContact O-CD2 3.29Å; L571-F575 WeakPolarHBondContact O-CD2 3.29Å; L571-F575 PolarHBondContact O-N 3.24Å
572S87.8Confident87.6Confident32 Ų3246.9 Ų46.922%0.22427%0.268CS..Hα-helixtrans-60.8-29.2-172.370.60000113.1S569 E576 N604S569-S572 WeakPolarHBondContact O-CB 3.49Å; S569-S572 PolarHBondContact O-N 3.05Å; S569-S572 PolarHBondContact O-OG 3.47Å; S572-E576 WeakPolarHBondContact O-CB 3.4Å; S572-E576 PolarHBondContact O-N 3.35Å; S572-N604 PolarHBondContact O-ND2 3.22Å; S572-N604 VanDerWaalsContact O-ND2 3.08Å
573Q90.3Very high87.5Confident152 Ų15246.6 Ų46.671%0.7127%0.267SS*.Hα-helixtrans-73.9-42.7178.1-68.5-174.3-7.300111.9L571 E576 A577L571-Q573 PolarHBondContact O-N 2.86Å; L571-Q573 VanDerWaalsContact O-N 3.16Å; Q573-E576 PolarHBondContact O-N 3.03Å; Q573-A577 PolarHBondContact O-N 3.26Å
574E93.8Very high87.7Confident35 Ų3543.3 Ų43.316%0.16425%0.252CS..Hα-helixtrans-66.9-40.1177.2-64.291.9153.400111.4R503 M506 L571 F578R503-E574 WeakPolarHBondContact CD-OE1 3.36Å; R503-E574 HydrophobicContact CG-CG 4.16Å; R503-E574 WeakPolarHBondContact CG-OE1 3.34Å; R503-E574 IonicContact NE-OE1 3.87Å; R503-E574 PolarHBondContact NE-OE1 3.44Å; R503-E574 VanDerWaalsContact NE-OE1 3.12Å; M506-E574 HydrophobicContact CB-CB 4.02Å; L571-E574 WeakPolarHBondContact CA-OE2 3.41Å; L571-E574 PolarHBondContact O-N 3.4Å; E574-F578 PolarHBondContact O-N 2.57Å; E574-F578 VanDerWaalsContact O-N 3.13Å
575F93Very high87.7Confident0 Ų046.7 Ų46.70%027%0.265CS..Hα-helixtrans-65.7-41.2172.2-81.7-73.3000111.9T502 M506 Y562 L571 A577 F578 F579 L602T502-F575 HydrophobicContact CG2-CE2 4.22Å; T502-F575 HydrophobicContact CG2-CZ 4.08Å; M506-F575 HydrophobicContact CE-CD1 3.45Å; M506-F575 VanDerWaalsContact CE-CD1 3.45Å; M506-F575 HydrophobicContact CE-CE1 3.5Å; M506-F575 VanDerWaalsContact CE-CE1 3.5Å; M506-F575 HydrophobicContact CE-CG 4.3Å; M506-F575 HydrophobicContact CE-CZ 4.36Å; M506-F575 HydrophobicContact CG-CD1 4.33Å; M506-F575 HydrophobicContact CG-CE1 3.92Å; M506-F575 HydrophobicContact CG-CE2 4.19Å; M506-F575 HydrophobicContact CG-CZ 3.83Å; M506-F575 HydrophobicContact SD-CD1 4.02Å; M506-F575 HydrophobicContact SD-CE1 3.43Å; M506-F575 WeakPolarHBondContact SD-CE1 3.32Å; M506-F575 HydrophobicContact SD-CZ 3.82Å; Y562-F575 VanDerWaalsContact CA-CZ 3.48Å; Y562-F575 HydrophobicContact CD2-CD2 4.31Å; Y562-F575 AromaticContact CD2-CE2 3.98Å; Y562-F575 HydrophobicContact CD2-CE2 3.98Å; Y562-F575 HydrophobicContact CD2-CZ 4.23Å; Y562-F575 HydrophobicContact CG-CZ 4.46Å; L571-F575 HydrophobicContact CB-CD2 3.85Å; L571-F575 HydrophobicContact CB-CE2 3.94Å; L571-F575 HydrophobicContact CD1-CE2 4.37Å; L571-F575 VanDerWaalsContact O-CD2 3.29Å; L571-F575 WeakPolarHBondContact O-CD2 3.29Å; L571-F575 PolarHBondContact O-N 3.24Å; F575-A577 PolarHBondContact O-N 3.27Å; F575-F578 CarbonylContact O-C 3.29Å; F575-F578 WeakPolarHBondContact O-CA 3.45Å; F575-F578 WeakPolarHBondContact O-CB 3.33Å; F575-F578 PolarHBondContact O-N 2.67Å; F575-F578 VanDerWaalsContact O-N 3.07Å; F575-F579 HydrophobicContact CB-CD2 4.21Å; F575-F579 HydrophobicContact CB-CE2 4.02Å; F575-F579 AromaticContact CD1-CE2 3.73Å; F575-F579 HydrophobicContact CD1-CE2 3.73Å; F575-F579 HydrophobicContact CD1-CZ 4.35Å; F575-F579 HydrophobicContact CG-CE2 4.31Å; F575-F579 WeakPolarHBondContact O-CD2 3.46Å; F575-F579 PolarHBondContact O-N 3.06Å; F575-L602 HydrophobicContact CB-CD1 4.25Å; F575-L602 HydrophobicContact CD2-CD1 4.44Å; F575-L602 HydrophobicContact CG-CD1 4.24Å
576E92.8Very high87.7Confident73 Ų7346.7 Ų46.734%0.34127%0.265SS..Hα-helixtrans-59.8-45.7176.9-177.1177172.700111.7S572 Q573 F578 F579 Q580 N604 C605 A608S572-E576 WeakPolarHBondContact O-CB 3.4Å; S572-E576 PolarHBondContact O-N 3.35Å; Q573-E576 PolarHBondContact O-N 3.03Å; E576-F578 PolarHBondContact O-N 2.87Å; E576-F579 PolarHBondContact O-N 2.91Å; E576-F579 VanDerWaalsContact O-N 3.16Å; E576-Q580 PolarHBondContact O-N 3.19Å; E576-N604 PolarHBondContact OE2-ND2 3.34Å; E576-C605 PolarHBondContact N-SG 3.12Å; E576-C605 VanDerWaalsContact N-SG 3.41Å; E576-A608 HydrophobicContact CG-CB 4Å
577A93.6Very high87.8Confident56 Ų5643.8 Ų43.846%0.46325%0.247SC..Hα-helixtrans-58.9-36.9174.300000112.2Q573 F575Q573-A577 PolarHBondContact O-N 3.26Å; F575-A577 PolarHBondContact O-N 3.27Å
578F94.4Very high87.9Confident0 Ų043.6 Ų43.60%025%0.245CC..Hα-helixtrans-69.1-42.4174.1171.6-98.6000112.9M506 L509 F554 E574 F575 E576 K582M506-F578 HydrophobicContact CE-CB 3.42Å; M506-F578 VanDerWaalsContact CE-CB 3.42Å; M506-F578 HydrophobicContact CE-CD1 3.69Å; M506-F578 HydrophobicContact CE-CD2 3.94Å; M506-F578 HydrophobicContact CE-CE1 4.45Å; M506-F578 HydrophobicContact CE-CG 3.38Å; L509-F578 HydrophobicContact CB-CD2 3.76Å; L509-F578 HydrophobicContact CB-CE2 3.85Å; L509-F578 HydrophobicContact CD1-CE2 4.49Å; F554-F578 HydrophobicContact CD1-CE2 4.01Å; F554-F578 HydrophobicContact CD1-CZ 4.15Å; F554-F578 HydrophobicContact CD2-CE2 4.27Å; F554-F578 HydrophobicContact CD2-CZ 4.14Å; F554-F578 AromaticContact CE1-CE2 3.6Å; F554-F578 HydrophobicContact CE1-CE2 3.6Å; F554-F578 HydrophobicContact CE1-CZ 4.19Å; F554-F578 AromaticContact CE2-CE2 3.87Å; F554-F578 HydrophobicContact CE2-CE2 3.87Å; F554-F578 HydrophobicContact CE2-CZ 4.16Å; F554-F578 HydrophobicContact CG-CE2 4.35Å; F554-F578 HydrophobicContact CG-CZ 4.14Å; F554-F578 AromaticContact CZ-CE2 3.53Å; F554-F578 HydrophobicContact CZ-CE2 3.53Å; F554-F578 HydrophobicContact CZ-CZ 4.21Å; F554-F578 WeakPolarHBondContact O-CZ 3.3Å; E574-F578 PolarHBondContact O-N 2.57Å; E574-F578 VanDerWaalsContact O-N 3.13Å; F575-F578 CarbonylContact O-C 3.29Å; F575-F578 WeakPolarHBondContact O-CA 3.45Å; F575-F578 WeakPolarHBondContact O-CB 3.33Å; F575-F578 PolarHBondContact O-N 2.67Å; F575-F578 VanDerWaalsContact O-N 3.07Å; E576-F578 PolarHBondContact O-N 2.87Å; F578-K582 VanDerWaalsContact O-CD 3.23Å; F578-K582 WeakPolarHBondContact O-CD 3.21Å; F578-K582 WeakPolarHBondContact O-CE 3.43Å; F578-K582 PolarHBondContact O-NZ 3.11Å
579F93.1Very high87.7Confident0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-80.7-17.7-176.4-69.2-66.3000114V555 I559 F575 E576 G581 K582 F598 C605 L609V555-F579 HydrophobicContact CB-CE1 4.4Å; V555-F579 HydrophobicContact CG1-CD1 3.89Å; V555-F579 HydrophobicContact CG1-CE1 3.75Å; V555-F579 HydrophobicContact CG2-CD1 4.32Å; I559-F579 HydrophobicContact CG1-CE1 3.98Å; I559-F579 HydrophobicContact CG1-CZ 3.83Å; F575-F579 HydrophobicContact CB-CD2 4.21Å; F575-F579 HydrophobicContact CB-CE2 4.02Å; F575-F579 AromaticContact CD1-CE2 3.73Å; F575-F579 HydrophobicContact CD1-CE2 3.73Å; F575-F579 HydrophobicContact CD1-CZ 4.35Å; F575-F579 HydrophobicContact CG-CE2 4.31Å; F575-F579 WeakPolarHBondContact O-CD2 3.46Å; F575-F579 PolarHBondContact O-N 3.06Å; E576-F579 PolarHBondContact O-N 2.91Å; E576-F579 VanDerWaalsContact O-N 3.16Å; F579-G581 PolarHBondContact O-N 3.43Å; F579-K582 WeakPolarHBondContact O-CB 3.15Å; F579-K582 PolarHBondContact O-N 2.78Å; F579-K582 VanDerWaalsContact O-N 3.17Å; F579-F598 HydrophobicContact CD2-CE2 4.14Å; F579-F598 HydrophobicContact CD2-CZ 4.27Å; F579-F598 HydrophobicContact CE1-CZ 4.41Å; F579-F598 AromaticContact CE2-CE2 3.62Å; F579-F598 HydrophobicContact CE2-CE2 3.62Å; F579-F598 HydrophobicContact CE2-CZ 4.1Å; F579-F598 AromaticContact CZ-CE2 3.84Å; F579-F598 HydrophobicContact CZ-CE2 3.84Å; F579-F598 HydrophobicContact CZ-CZ 4.17Å; F579-C605 HydrophobicContact CD2-CB 3.58Å; F579-C605 HydrophobicContact CE2-CB 4.18Å; F579-C605 HydrophobicContact CG-CB 4.33Å; F579-L609 HydrophobicContact CB-CD2 4.14Å; F579-L609 HydrophobicContact CD1-CD2 4.23Å
580Q91.8Very high87.7Confident79 Ų7941.4 Ų41.437%0.36923%0.23SC..THydrogen-bonded Turntrans-53126.9-179.1-17259.357.100112.2E576 K582 A608E576-Q580 PolarHBondContact O-N 3.19Å; Q580-K582 VanDerWaalsContact C-N 3.29Å; Q580-K582 PolarHBondContact O-N 3.29Å; Q580-A608 PolarHBondContact NE2-O 2.77Å
581G85.7Confident87.6Confident41 Ų4138.5 Ų38.542%0.42321%0.205SC..THydrogen-bonded Turntrans76.29.9175.100000115.4F579 A608 D610F579-G581 PolarHBondContact O-N 3.43Å; G581-A608 PolarHBondContact N-O 3.15Å; G581-D610 WeakPolarHBondContact CA-OD2 3.26Å
582K91.2Very high87.2Confident28 Ų2840 Ų4012%0.12222%0.215CC..  trans-106.7171.5-178-60.1-177.9179.957.50111.8I551 V555 F578 F579 Q580 L609 D610I551-K582 HydrophobicContact CG2-CB 3.77Å; I551-K582 HydrophobicContact CG2-CD 4.5Å; I551-K582 HydrophobicContact CG2-CG 4.07Å; V555-K582 HydrophobicContact CG2-CB 3.5Å; V555-K582 VanDerWaalsContact CG2-CB 3.5Å; V555-K582 HydrophobicContact CG2-CD 3.87Å; V555-K582 HydrophobicContact CG2-CG 4.29Å; F578-K582 VanDerWaalsContact O-CD 3.23Å; F578-K582 WeakPolarHBondContact O-CD 3.21Å; F578-K582 WeakPolarHBondContact O-CE 3.43Å; F578-K582 PolarHBondContact O-NZ 3.11Å; F579-K582 WeakPolarHBondContact O-CB 3.15Å; F579-K582 PolarHBondContact O-N 2.78Å; F579-K582 VanDerWaalsContact O-N 3.17Å; Q580-K582 VanDerWaalsContact C-N 3.29Å; Q580-K582 PolarHBondContact O-N 3.29Å; K582-L609 HydrophobicContact CB-CD2 4.27Å; K582-L609 WeakPolarHBondContact O-CA 2.96Å; K582-L609 WeakPolarHBondContact O-CD2 3.35Å; K582-D610 PolarHBondContact O-N 2.96Å
583S88.5Confident86.9Confident5 Ų540.1 Ų40.14%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-118.5147.3178.857.90000112.6N552 V555 F611N552-S583 WeakPolarHBondContact OD1-CB 3.16Å; N552-S583 PolarHBondContact OD1-O 3.23Å; N552-S583 PolarHBondContact OD1-OG 2.81Å; V555-S583 WeakPolarHBondContact CG2-O 3.13Å; S583-F611 VanDerWaalsContact CA-O 3.27Å; S583-F611 WeakPolarHBondContact CA-O 3.45Å
584L89.7Confident86.5Confident4 Ų434.7 Ų34.72%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-115133175.1175.862.9000109.7V555 I559 I586 L595 F598 F599 L609 F611 I612 K613V555-L584 HydrophobicContact CG1-CB 4.13Å; V555-L584 HydrophobicContact CG1-CD1 3.84Å; I559-L584 HydrophobicContact CD1-CD1 3.81Å; I559-L584 HydrophobicContact CD1-CD2 4.43Å; L584-I586 HydrophobicContact CD2-CD1 4.05Å; L584-I586 HydrophobicContact CD2-CG1 4.19Å; L584-I586 HydrophobicContact CG-CD1 4.43Å; L584-I586 HydrophobicContact CG-CG1 4.06Å; L584-L595 HydrophobicContact CD1-CD2 4.47Å; L584-L595 HydrophobicContact CD2-CD2 4.4Å; L584-F598 HydrophobicContact CD2-CE1 4.47Å; L584-F599 HydrophobicContact CD2-CE1 4.06Å; L584-F599 HydrophobicContact CD2-CZ 4.42Å; L584-L609 HydrophobicContact CB-CD1 3.76Å; L584-L609 HydrophobicContact CD2-CD1 4.21Å; L584-F611 PolarHBondContact N-O 3.44Å; L584-I612 HydrophobicContact CB-CG1 4.46Å; L584-I612 CarbonylContact O-C 3.44Å; L584-I612 WeakPolarHBondContact O-CA 3.44Å; L584-K613 PolarHBondContact O-N 2.58Å
585Y87.2Confident86.2Confident77 Ų7733.3 Ų33.330%0.30218%0.18SC..EExtended strand (participates in β ladder)trans-103.7133.8172.6176.6-112.3000110.7N587 K613 D615Y585-N587 HydrophobicContact CE1-CB 4.23Å; Y585-K613 CarbonylContact C-O 3.55Å; Y585-K613 WeakPolarHBondContact CA-O 3.02Å; Y585-K613 HydrophobicContact CD2-CB 4.07Å; Y585-K613 HydrophobicContact CD2-CD 3.92Å; Y585-K613 HydrophobicContact CD2-CG 3.82Å; Y585-K613 HydrophobicContact CE2-CD 4.32Å; Y585-K613 HydrophobicContact CE2-CG 4.24Å; Y585-D615 HydrophobicContact CE2-CB 4.33Å; Y585-D615 WeakPolarHBondContact CE2-OD2 3.39Å; Y585-D615 PolarHBondContact OH-OD2 3.14Å
586I85.9Confident85.9Confident3 Ų335 Ų352%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-129.1121.1177.7-55.3179.1000108.3L584 I591 L595 F599 I612 K613 L614 D615 L651 F652L584-I586 HydrophobicContact CD2-CD1 4.05Å; L584-I586 HydrophobicContact CD2-CG1 4.19Å; L584-I586 HydrophobicContact CG-CD1 4.43Å; L584-I586 HydrophobicContact CG-CG1 4.06Å; I586-I591 HydrophobicContact CG2-CD1 4.36Å; I586-I591 HydrophobicContact CG2-CG1 3.98Å; I586-L595 HydrophobicContact CD1-CD1 4.29Å; I586-L595 HydrophobicContact CG1-CD1 4.08Å; I586-L595 HydrophobicContact CG2-CD1 4.18Å; I586-F599 HydrophobicContact CD1-CZ 4.13Å; I586-I612 HydrophobicContact CD1-CG2 3.9Å; I586-I612 HydrophobicContact CG1-CG2 4.35Å; I586-K613 PolarHBondContact N-O 3.42Å; I586-L614 HydrophobicContact CB-CD1 3.72Å; I586-L614 HydrophobicContact CG2-CD1 3.65Å; I586-L614 WeakPolarHBondContact O-CA 3.28Å; I586-D615 PolarHBondContact O-N 2.93Å; I586-L651 HydrophobicContact CD1-CD2 4.07Å; I586-F652 HydrophobicContact CD1-CZ 4.27Å
587N80.3Confident85.3Confident26 Ų2633.6 Ų33.614%0.13918%0.182CC..EExtended strand (participates in β ladder)trans-89.3120.5168.3-179.6-15.8000109Y585 E589 N590 I591 Y617Y585-N587 HydrophobicContact CE1-CB 4.23Å; N587-E589 VanDerWaalsContact C-N 3.26Å; N587-E589 PolarHBondContact O-N 2.83Å; N587-E589 PolarHBondContact OD1-N 3.24Å; N587-N590 CarbonylContact O-C 3.57Å; N587-N590 PolarHBondContact O-N 3.02Å; N587-I591 WeakPolarHBondContact O-CG1 3.48Å; N587-Y617 WeakPolarHBondContact OD1-CE2 3.06Å
588S80.3Confident85Confident4 Ų430.9 Ų30.93%0.02816%0.16CC..G310 helixtrans-65.1-27.6-17676.20000114.2N590 D615 F616 P645S588-N590 VanDerWaalsContact C-N 3.29Å; S588-N590 PolarHBondContact O-N 2.99Å; S588-D615 WeakPolarHBondContact CB-O 3.44Å; S588-D615 PolarHBondContact N-O 3.31Å; S588-D615 PolarHBondContact OG-O 3.19Å; S588-F616 VanDerWaalsContact CB-CD1 3.44Å; S588-F616 WeakPolarHBondContact OG-CA 3.24Å; S588-F616 WeakPolarHBondContact OG-CD1 3.41Å; S588-P645 WeakPolarHBondContact O-CG 3.39Å
589E73.8Confident84.6Confident105 Ų10531.5 Ų31.549%0.49116%0.163SC..G310 helixtrans-71.5-26.4179.8-70.3177.9157.600112.2N587 Y617N587-E589 VanDerWaalsContact C-N 3.26Å; N587-E589 PolarHBondContact O-N 2.83Å; N587-E589 PolarHBondContact OD1-N 3.24Å; E589-Y617 HydrophobicContact CG-CD2 3.87Å; E589-Y617 WeakPolarHBondContact OE1-CB 3.39Å
590N76.2Confident84.1Confident82 Ų8238.1 Ų38.144%0.43919%0.194SC..G310 helixtrans-137.772.6-177.4-172.531.3000110.6N587 S588 P592N587-N590 CarbonylContact O-C 3.57Å; N587-N590 PolarHBondContact O-N 3.02Å; S588-N590 VanDerWaalsContact C-N 3.29Å; S588-N590 PolarHBondContact O-N 2.99Å; N590-P592 VanDerWaalsContact O-CD 3.22Å; N590-P592 WeakPolarHBondContact O-CD 3.25Å
591I82.8Confident83.7Confident6 Ų638.3 Ų38.33%0.03120%0.195CC..  trans-85.4112.2175.7-59.6177.7000108.9I586 N587 L595 F596 R647 A648 L651I586-I591 HydrophobicContact CG2-CD1 4.36Å; I586-I591 HydrophobicContact CG2-CG1 3.98Å; N587-I591 WeakPolarHBondContact O-CG1 3.48Å; I591-L595 HydrophobicContact CG2-CD1 4.13Å; I591-F596 HydrophobicContact CG2-CD2 4.48Å; I591-F596 HydrophobicContact CG2-CE2 3.64Å; I591-F596 HydrophobicContact CG2-CZ 4.18Å; I591-R647 HydrophobicContact CD1-CB 4.37Å; I591-R647 PolarHBondContact O-NE 3.47Å; I591-R647 PolarHBondContact O-NH2 3.25Å; I591-A648 HydrophobicContact CD1-CB 3.57Å; I591-L651 HydrophobicContact CG2-CD2 4.01Å
592P79.9Confident83.6Confident31 Ų3136.4 Ų36.420%0.20118%0.175CC..  trans-72.3157.5-177.5-22.639.6000113.1N590 Y594 L595 R647N590-P592 VanDerWaalsContact O-CD 3.22Å; N590-P592 WeakPolarHBondContact O-CD 3.25Å; P592-Y594 VanDerWaalsContact C-N 3.32Å; P592-Y594 HydrophobicContact CB-CD1 3.51Å; P592-Y594 HydrophobicContact CB-CD2 4.33Å; P592-Y594 HydrophobicContact CB-CE1 3.08Å; P592-Y594 HydrophobicContact CB-CE2 4.02Å; P592-Y594 HydrophobicContact CB-CG 4.13Å; P592-Y594 HydrophobicContact CG-CE1 3.68Å; P592-Y594 HydrophobicContact CG-CE2 4.24Å; P592-Y594 WeakPolarHBondContact CG-OH 3.45Å; P592-Y594 PolarHBondContact O-N 2.71Å; P592-L595 PolarHBondContact O-N 3.15Å; P592-R647 PolarHBondContact O-NH2 2.68Å
593D81Confident83.3Confident36 Ų3637.1 Ų37.119%0.19318%0.182CC..Hα-helixtrans-62.1-38-179.1-84.5-5.8000112.2R329 N333 L595 F596 R647R329-D593 IonicContact CZ-OD2 3.76Å; R329-D593 IonicContact NE-OD2 2.79Å; R329-D593 IonicContact NH2-OD1 2.77Å; R329-D593 PolarHBondContact NH2-OD1 2.7Å; R329-D593 IonicContact NH2-OD2 3.04Å; R329-D593 PolarHBondContact NH2-OD2 3.28Å; N333-D593 PolarHBondContact ND2-OD2 3.04Å; D593-L595 PolarHBondContact O-N 3.1Å; D593-L595 VanDerWaalsContact O-N 3.1Å; D593-F596 WeakPolarHBondContact O-CB 3.35Å; D593-F596 PolarHBondContact O-N 3.42Å; D593-R647 VanDerWaalsContact N-NH2 3.18Å; D593-R647 IonicContact OD1-CZ 3.09Å; D593-R647 IonicContact OD1-NH1 3.78Å; D593-R647 PolarHBondContact OD1-NH1 2.85Å; D593-R647 IonicContact OD1-NH2 3.17Å; D593-R647 PolarHBondContact OD1-NH2 2.75Å
594Y81.5Confident83.2Confident38 Ų3838.8 Ų38.815%0.14919%0.191CC..Hα-helixtrans-61.9-21.7-178.258.3-105.5000114.1E556 I559 H560 P592 F596 F598E556-Y594 PolarHBondContact OE1-OH 3.26Å; I559-Y594 HydrophobicContact CG2-CD2 3.54Å; I559-Y594 HydrophobicContact CG2-CE2 4.18Å; I559-Y594 HydrophobicContact CG2-CG 4.39Å; H560-Y594 AromaticContact CE1-CD1 3.93Å; H560-Y594 AromaticContact CE1-CE1 3.31Å; H560-Y594 WeakPolarHBondContact CE1-CE1 3.4Å; H560-Y594 AromaticContact CE1-CZ 3.43Å; H560-Y594 VanDerWaalsContact CE1-CZ 3.43Å; H560-Y594 AromaticContact ND1-CE1 3.96Å; P592-Y594 VanDerWaalsContact C-N 3.32Å; P592-Y594 HydrophobicContact CB-CD1 3.51Å; P592-Y594 HydrophobicContact CB-CD2 4.33Å; P592-Y594 HydrophobicContact CB-CE1 3.08Å; P592-Y594 HydrophobicContact CB-CE2 4.02Å; P592-Y594 HydrophobicContact CB-CG 4.13Å; P592-Y594 HydrophobicContact CG-CE1 3.68Å; P592-Y594 HydrophobicContact CG-CE2 4.24Å; P592-Y594 WeakPolarHBondContact CG-OH 3.45Å; P592-Y594 PolarHBondContact O-N 2.71Å; Y594-F596 VanDerWaalsContact C-N 3.33Å; Y594-F598 WeakPolarHBondContact O-CB 3.26Å; Y594-F598 PolarHBondContact O-N 2.87Å
595L87.3Confident83.1Confident5 Ų538.6 Ų38.63%0.02619%0.19CC..Hα-helixtrans-70.3-33175.6-69.9-176.7000111.8I559 L584 I586 I591 P592 D593 F598 F599 L651I559-L595 HydrophobicContact CD1-CD2 3.88Å; L584-L595 HydrophobicContact CD1-CD2 4.47Å; L584-L595 HydrophobicContact CD2-CD2 4.4Å; I586-L595 HydrophobicContact CD1-CD1 4.29Å; I586-L595 HydrophobicContact CG1-CD1 4.08Å; I586-L595 HydrophobicContact CG2-CD1 4.18Å; I591-L595 HydrophobicContact CG2-CD1 4.13Å; P592-L595 PolarHBondContact O-N 3.15Å; D593-L595 PolarHBondContact O-N 3.1Å; D593-L595 VanDerWaalsContact O-N 3.1Å; L595-F598 PolarHBondContact O-N 2.93Å; L595-F599 WeakPolarHBondContact O-CD1 3.39Å; L595-F599 PolarHBondContact O-N 3.47Å; L595-L651 HydrophobicContact CB-CD1 4.4Å
596F86.1Confident83Confident37 Ų3735 Ų3516%0.16218%0.176CC..Hα-helixtrans-66.1-46.5174.6-68.6-92.2000110.3I591 D593 Y594 F598 F599 E600 R647 S650 L651I591-F596 HydrophobicContact CG2-CD2 4.48Å; I591-F596 HydrophobicContact CG2-CE2 3.64Å; I591-F596 HydrophobicContact CG2-CZ 4.18Å; D593-F596 WeakPolarHBondContact O-CB 3.35Å; D593-F596 PolarHBondContact O-N 3.42Å; Y594-F596 VanDerWaalsContact C-N 3.33Å; F596-F598 VanDerWaalsContact C-N 3.3Å; F596-F598 PolarHBondContact O-N 2.93Å; F596-F599 PolarHBondContact O-N 2.95Å; F596-E600 WeakPolarHBondContact O-CB 3.41Å; F596-E600 PolarHBondContact O-N 2.95Å; F596-R647 HydrophobicContact CE2-CG 4.48Å; F596-R647 VanDerWaalsContact CE2-CZ 3.45Å; F596-R647 VanDerWaalsContact CE2-NH2 3.28Å; F596-R647 HydrophobicContact CZ-CB 4.15Å; F596-R647 HydrophobicContact CZ-CG 4.08Å; F596-R647 WeakPolarHBondContact CZ-O 3.49Å; F596-S650 VanDerWaalsContact CE1-OG 3.32Å; F596-S650 WeakPolarHBondContact CE1-OG 3.32Å; F596-L651 HydrophobicContact CB-CD1 4.49Å; F596-L651 HydrophobicContact CD1-CB 4.39Å; F596-L651 HydrophobicContact CD1-CD1 3.76Å; F596-L651 HydrophobicContact CD2-CD1 4.27Å; F596-L651 HydrophobicContact CE1-CB 3.76Å; F596-L651 HydrophobicContact CE1-CD1 3.94Å; F596-L651 HydrophobicContact CE1-CG 4.48Å; F596-L651 HydrophobicContact CE2-CD1 4.42Å; F596-L651 HydrophobicContact CG-CD1 3.94Å; F596-L651 HydrophobicContact CZ-CB 3.98Å; F596-L651 HydrophobicContact CZ-CD1 4.28Å
597D81.8Confident83Confident42 Ų4236.1 Ų36.123%0.22518%0.184CC..Hα-helixtrans-63.3-37.8178-56.9-24.8000111.5H563 E600 H601H563-D597 IonicContact CD2-OD2 3.86Å; H563-D597 IonicContact NE2-OD2 2.75Å; D597-E600 PolarHBondContact O-N 3.43Å; D597-H601 VanDerWaalsContact O-CB 3.29Å; D597-H601 WeakPolarHBondContact O-CB 3.3Å; D597-H601 PolarHBondContact O-CD2 3.02Å; D597-H601 PolarHBondContact O-N 2.76Å
598F86.8Confident83.4Confident0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-62.2-47.1174.9176.8-117.5000111.7I559 F579 L584 Y594 L595 F596 E600 L602 C605 A606I559-F598 HydrophobicContact CD1-CD1 3.95Å; I559-F598 HydrophobicContact CD1-CE1 4.13Å; I559-F598 HydrophobicContact CD1-CG 4.28Å; I559-F598 HydrophobicContact CG1-CD1 4.28Å; I559-F598 HydrophobicContact CG1-CD2 4.14Å; I559-F598 HydrophobicContact CG1-CE1 4.45Å; I559-F598 HydrophobicContact CG1-CE2 4.29Å; I559-F598 HydrophobicContact CG1-CG 4.15Å; I559-F598 HydrophobicContact CG1-CZ 4.45Å; I559-F598 HydrophobicContact CG2-CB 4.04Å; I559-F598 HydrophobicContact CG2-CG 4.27Å; F579-F598 HydrophobicContact CD2-CE2 4.14Å; F579-F598 HydrophobicContact CD2-CZ 4.27Å; F579-F598 HydrophobicContact CE1-CZ 4.41Å; F579-F598 AromaticContact CE2-CE2 3.62Å; F579-F598 HydrophobicContact CE2-CE2 3.62Å; F579-F598 HydrophobicContact CE2-CZ 4.1Å; F579-F598 AromaticContact CZ-CE2 3.84Å; F579-F598 HydrophobicContact CZ-CE2 3.84Å; F579-F598 HydrophobicContact CZ-CZ 4.17Å; L584-F598 HydrophobicContact CD2-CE1 4.47Å; Y594-F598 WeakPolarHBondContact O-CB 3.26Å; Y594-F598 PolarHBondContact O-N 2.87Å; L595-F598 PolarHBondContact O-N 2.93Å; F596-F598 VanDerWaalsContact C-N 3.3Å; F596-F598 PolarHBondContact O-N 2.93Å; F598-E600 VanDerWaalsContact C-N 3.34Å; F598-L602 HydrophobicContact CD2-CB 4.03Å; F598-L602 HydrophobicContact CD2-CD1 4.07Å; F598-L602 HydrophobicContact CE2-CB 4.06Å; F598-L602 HydrophobicContact CE2-CD1 4.16Å; F598-L602 CarbonylContact O-C 3.53Å; F598-L602 WeakPolarHBondContact O-CA 3.45Å; F598-L602 PolarHBondContact O-N 2.61Å; F598-C605 HydrophobicContact CE2-CB 3.74Å; F598-C605 HydrophobicContact CZ-CB 3.87Å; F598-A606 HydrophobicContact CE1-CB 3.94Å; F598-A606 HydrophobicContact CZ-CB 4.25Å
599F85.4Confident83.9Confident12 Ų1235 Ų355%0.05318%0.178CC..Hα-helixtrans-70.4-32.8-179.9-81.243.2000111.6L584 I586 L595 F596 I612 L651 F652 W655 F659L584-F599 HydrophobicContact CD2-CE1 4.06Å; L584-F599 HydrophobicContact CD2-CZ 4.42Å; I586-F599 HydrophobicContact CD1-CZ 4.13Å; L595-F599 WeakPolarHBondContact O-CD1 3.39Å; L595-F599 PolarHBondContact O-N 3.47Å; F596-F599 PolarHBondContact O-N 2.95Å; F599-I612 HydrophobicContact CZ-CD1 4.07Å; F599-L651 HydrophobicContact CB-CD1 4.31Å; F599-L651 HydrophobicContact CD1-CD1 4.4Å; F599-L651 HydrophobicContact CD2-CD1 3.95Å; F599-L651 HydrophobicContact CD2-CG 4.03Å; F599-L651 HydrophobicContact CE2-CD1 4.35Å; F599-L651 HydrophobicContact CE2-CD2 4.34Å; F599-L651 HydrophobicContact CE2-CG 4.04Å; F599-L651 HydrophobicContact CG-CD1 3.99Å; F599-L651 HydrophobicContact CZ-CD2 4.45Å; F599-F652 HydrophobicContact CE2-CE1 4.45Å; F599-W655 HydrophobicContact CB-CE3 3.96Å; F599-W655 HydrophobicContact CB-CZ3 4.17Å; F599-W655 HydrophobicContact CD2-CD2 4.29Å; F599-W655 AromaticContact CD2-CE3 3.87Å; F599-W655 HydrophobicContact CD2-CE3 3.87Å; F599-W655 HydrophobicContact CD2-CZ3 4.43Å; F599-W655 HydrophobicContact CG-CE3 4.15Å; F599-W655 HydrophobicContact CG-CZ3 4.37Å; F599-W655 WeakPolarHBondContact O-CZ3 3.49Å; F599-F659 HydrophobicContact CD2-CZ 4.13Å; F599-F659 HydrophobicContact CE2-CE1 4.17Å; F599-F659 HydrophobicContact CE2-CE2 4.44Å; F599-F659 AromaticContact CE2-CZ 3.52Å; F599-F659 HydrophobicContact CE2-CZ 3.52Å; F599-F659 HydrophobicContact CZ-CE1 4.47Å; F599-F659 HydrophobicContact CZ-CZ 4.19Å
600E83.1Confident84.6Confident139 Ų13933 Ų3365%0.6517%0.171SC*.Hα-helixtrans-75.5-43.4179.8-172.8173.616800112.3F596 D597 F598F596-E600 WeakPolarHBondContact O-CB 3.41Å; F596-E600 PolarHBondContact O-N 2.95Å; D597-E600 PolarHBondContact O-N 3.43Å; F598-E600 VanDerWaalsContact C-N 3.34Å
601H82.8Confident85Confident84 Ų8431 Ų3139%0.38916%0.159SC..Hα-helixtrans-102.2-20.3-168.7-61.6-40.4000114.8Y562 D597 P603Y562-H601 WeakPolarHBondContact OH-CB 3.46Å; D597-H601 VanDerWaalsContact O-CB 3.29Å; D597-H601 WeakPolarHBondContact O-CB 3.3Å; D597-H601 PolarHBondContact O-CD2 3.02Å; D597-H601 PolarHBondContact O-N 2.76Å; H601-P603 WeakPolarHBondContact O-CD 3.2Å
602L84.6Confident85.3Confident0 Ų030.8 Ų30.80%016%0.158CC..  trans-125.560.5178.6-70.2-179.3000112.6Y562 F575 F598 N604 C605 A606Y562-L602 HydrophobicContact CD1-CD1 3.9Å; Y562-L602 HydrophobicContact CD2-CD1 3.42Å; Y562-L602 VanDerWaalsContact CD2-CD1 3.42Å; Y562-L602 HydrophobicContact CD2-CG 4.27Å; Y562-L602 HydrophobicContact CE1-CD1 3.99Å; Y562-L602 HydrophobicContact CE1-CG 4.29Å; Y562-L602 HydrophobicContact CE2-CD1 3.54Å; Y562-L602 HydrophobicContact CE2-CD2 4.36Å; Y562-L602 HydrophobicContact CE2-CG 3.86Å; Y562-L602 HydrophobicContact CG-CD1 3.62Å; F575-L602 HydrophobicContact CB-CD1 4.25Å; F575-L602 HydrophobicContact CD2-CD1 4.44Å; F575-L602 HydrophobicContact CG-CD1 4.24Å; F598-L602 HydrophobicContact CD2-CB 4.03Å; F598-L602 HydrophobicContact CD2-CD1 4.07Å; F598-L602 HydrophobicContact CE2-CB 4.06Å; F598-L602 HydrophobicContact CE2-CD1 4.16Å; F598-L602 CarbonylContact O-C 3.53Å; F598-L602 WeakPolarHBondContact O-CA 3.45Å; F598-L602 PolarHBondContact O-N 2.61Å; L602-N604 VanDerWaalsContact C-N 3.34Å; L602-N604 PolarHBondContact O-N 2.9Å; L602-C605 HydrophobicContact CB-CB 3.96Å; L602-C605 WeakPolarHBondContact O-CB 3.34Å; L602-C605 PolarHBondContact O-N 3.33Å; L602-C605 VanDerWaalsContact O-N 3.16Å; L602-A606 PolarHBondContact O-N 3.41Å
603P84.3Confident85.8Confident43 Ų4330.3 Ų30.328%0.27915%0.152SC..Hα-helixtrans-66-35.2-176.826-34.4000113.2H601 C605 A606 S607 W655H601-P603 WeakPolarHBondContact O-CD 3.2Å; P603-C605 VanDerWaalsContact C-N 3.25Å; P603-C605 PolarHBondContact O-N 2.86Å; P603-A606 PolarHBondContact O-N 3.02Å; P603-S607 PolarHBondContact O-N 3.23Å; P603-S607 VanDerWaalsContact O-N 3.09Å; P603-W655 VanDerWaalsContact CA-CH2 3.46Å; P603-W655 HydrophobicContact CB-CH2 3.72Å; P603-W655 HydrophobicContact CB-CZ3 3.82Å; P603-W655 WeakPolarHBondContact O-CH2 3.42Å
604N86.1Confident86.2Confident40 Ų4028.6 Ų28.621%0.21414%0.143CC..Hα-helixtrans-57.6-39.5174.363.9-35.5000112.1S572 E576 L602 S607 A608S572-N604 PolarHBondContact O-ND2 3.22Å; S572-N604 VanDerWaalsContact O-ND2 3.08Å; E576-N604 PolarHBondContact OE2-ND2 3.34Å; L602-N604 VanDerWaalsContact C-N 3.34Å; L602-N604 PolarHBondContact O-N 2.9Å; N604-S607 PolarHBondContact O-N 3.32Å; N604-A608 WeakPolarHBondContact O-CB 3.12Å; N604-A608 PolarHBondContact O-N 3.13Å
605C87.8Confident86.4Confident0 Ų027.1 Ų27.10%014%0.138CC..Hα-helixtrans-68.5-43-179.4-63.30000112.3E576 F579 F598 L602 P603 S607 A608 L609E576-C605 PolarHBondContact N-SG 3.12Å; E576-C605 VanDerWaalsContact N-SG 3.41Å; F579-C605 HydrophobicContact CD2-CB 3.58Å; F579-C605 HydrophobicContact CE2-CB 4.18Å; F579-C605 HydrophobicContact CG-CB 4.33Å; F598-C605 HydrophobicContact CE2-CB 3.74Å; F598-C605 HydrophobicContact CZ-CB 3.87Å; L602-C605 HydrophobicContact CB-CB 3.96Å; L602-C605 WeakPolarHBondContact O-CB 3.34Å; L602-C605 PolarHBondContact O-N 3.33Å; L602-C605 VanDerWaalsContact O-N 3.16Å; P603-C605 VanDerWaalsContact C-N 3.25Å; P603-C605 PolarHBondContact O-N 2.86Å; C605-S607 VanDerWaalsContact C-N 3.31Å; C605-S607 PolarHBondContact O-N 2.97Å; C605-A608 WeakPolarHBondContact O-CB 3.27Å; C605-A608 PolarHBondContact O-N 3.33Å; C605-L609 PolarHBondContact O-N 3.01Å
606A85.3Confident86.4Confident1 Ų126.9 Ų26.91%0.00814%0.137CC..Hα-helixtrans-67.5-31177.600000112.3F598 L602 P603 W655 F659F598-A606 HydrophobicContact CE1-CB 3.94Å; F598-A606 HydrophobicContact CZ-CB 4.25Å; L602-A606 PolarHBondContact O-N 3.41Å; P603-A606 PolarHBondContact O-N 3.02Å; A606-W655 HydrophobicContact CB-CH2 3.49Å; A606-W655 VanDerWaalsContact CB-CH2 3.49Å; A606-W655 HydrophobicContact CB-CZ2 4.13Å; A606-W655 HydrophobicContact CB-CZ3 3.98Å; A606-F659 HydrophobicContact CB-CE1 4.26Å
607S85.4Confident86.2Confident28 Ų2825.8 Ų25.820%0.19613%0.131CC..Hα-helixtrans-76.6-20.8171-73.50000114.6P603 N604 C605 L609 Q657P603-S607 PolarHBondContact O-N 3.23Å; P603-S607 VanDerWaalsContact O-N 3.09Å; N604-S607 PolarHBondContact O-N 3.32Å; C605-S607 VanDerWaalsContact C-N 3.31Å; C605-S607 PolarHBondContact O-N 2.97Å; S607-L609 VanDerWaalsContact C-N 3.31Å; S607-Q657 PolarHBondContact OG-OE1 3.38Å; S607-Q657 VanDerWaalsContact OG-OE1 3.13Å
608A88.9Confident85.7Confident3 Ų324 Ų243%0.02512%0.124CC..Hα-helixtrans-75.3-20175.300000113.3E576 Q580 G581 N604 C605E576-A608 HydrophobicContact CG-CB 4Å; Q580-A608 PolarHBondContact NE2-O 2.77Å; G581-A608 PolarHBondContact N-O 3.15Å; N604-A608 WeakPolarHBondContact O-CB 3.12Å; N604-A608 PolarHBondContact O-N 3.13Å; C605-A608 WeakPolarHBondContact O-CB 3.27Å; C605-A608 PolarHBondContact O-N 3.33Å
609L91.1Very high84.5Confident3 Ų326.2 Ų26.22%0.01615%0.146CC..SBendtrans-62.6138.7172.9-65.7170.2000110.8V555 F579 K582 L584 C605 S607 I612V555-L609 HydrophobicContact CG1-CD2 4.26Å; V555-L609 HydrophobicContact CG2-CD2 4.43Å; F579-L609 HydrophobicContact CB-CD2 4.14Å; F579-L609 HydrophobicContact CD1-CD2 4.23Å; K582-L609 HydrophobicContact CB-CD2 4.27Å; K582-L609 WeakPolarHBondContact O-CA 2.96Å; K582-L609 WeakPolarHBondContact O-CD2 3.35Å; L584-L609 HydrophobicContact CB-CD1 3.76Å; L584-L609 HydrophobicContact CD2-CD1 4.21Å; C605-L609 PolarHBondContact O-N 3.01Å; S607-L609 VanDerWaalsContact C-N 3.31Å; L609-I612 HydrophobicContact CD1-CD1 4.47Å; L609-I612 HydrophobicContact CD1-CG1 4.21Å
610D88.1Confident82.6Confident64 Ų6430.7 Ų30.734%0.34219%0.185SC..SBendtrans-75.1-38.3179-86.5-8.3000112G581 K582 R660 T661G581-D610 WeakPolarHBondContact CA-OD2 3.26Å; K582-D610 PolarHBondContact O-N 2.96Å; D610-R660 IonicContact OD1-NH1 2.6Å; D610-R660 PolarHBondContact OD1-NH1 2.67Å; D610-T661 WeakPolarHBondContact O-CB 3.34Å; D610-T661 PolarHBondContact O-N 3.19Å
611F84.9Confident80.5Confident39 Ų3927.2 Ų27.217%0.17117%0.17CC..EExtended strand (participates in β ladder)trans-154.2150.3171.366.8-85.9000113.4S583 L584 T661S583-F611 VanDerWaalsContact CA-O 3.27Å; S583-F611 WeakPolarHBondContact CA-O 3.45Å; L584-F611 PolarHBondContact N-O 3.44Å; F611-T661 CarbonylContact C-O 3.56Å; F611-T661 WeakPolarHBondContact CA-O 3.41Å; F611-T661 HydrophobicContact CB-CG2 3.85Å
612I90.1Very high78.1Confident2 Ų227.6 Ų27.61%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-107.4129.7170.3-60.3179.4000108.1L584 I586 F599 L609 F659 T661 L662 E663L584-I612 HydrophobicContact CB-CG1 4.46Å; L584-I612 CarbonylContact O-C 3.44Å; L584-I612 WeakPolarHBondContact O-CA 3.44Å; I586-I612 HydrophobicContact CD1-CG2 3.9Å; I586-I612 HydrophobicContact CG1-CG2 4.35Å; F599-I612 HydrophobicContact CZ-CD1 4.07Å; L609-I612 HydrophobicContact CD1-CD1 4.47Å; L609-I612 HydrophobicContact CD1-CG1 4.21Å; I612-F659 HydrophobicContact CD1-CD1 3.36Å; I612-F659 HydrophobicContact CD1-CD2 4.35Å; I612-F659 HydrophobicContact CD1-CE1 3.31Å; I612-F659 HydrophobicContact CD1-CE2 4.33Å; I612-F659 HydrophobicContact CD1-CG 3.91Å; I612-F659 HydrophobicContact CD1-CZ 3.84Å; I612-F659 HydrophobicContact CG1-CD1 4.39Å; I612-T661 PolarHBondContact N-O 2.75Å; I612-L662 HydrophobicContact CB-CD1 3.94Å; I612-L662 HydrophobicContact CG2-CD1 4.09Å; I612-L662 WeakPolarHBondContact O-CA 3.41Å; I612-E663 PolarHBondContact O-N 3.42Å
613K88.9Confident75.6Confident21 Ų2132.1 Ų32.19%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-103.4127.8176-177173.2-179.51650110.1L584 Y585 I586 E663L584-K613 PolarHBondContact O-N 2.58Å; Y585-K613 CarbonylContact C-O 3.55Å; Y585-K613 WeakPolarHBondContact CA-O 3.02Å; Y585-K613 HydrophobicContact CD2-CB 4.07Å; Y585-K613 HydrophobicContact CD2-CD 3.92Å; Y585-K613 HydrophobicContact CD2-CG 3.82Å; Y585-K613 HydrophobicContact CE2-CD 4.32Å; Y585-K613 HydrophobicContact CE2-CG 4.24Å; I586-K613 PolarHBondContact N-O 3.42Å; K613-E663 CarbonylContact C-O 3.57Å; K613-E663 VanDerWaalsContact CA-O 3.31Å; K613-E663 WeakPolarHBondContact CA-O 3.28Å; K613-E663 HydrophobicContact CG-CG 4.47Å; K613-E663 IonicContact NZ-OE1 2.67Å
614L89.4Confident73Confident0 Ų041 Ų410%025%0.247CC..EExtended strand (participates in β ladder)trans-130.5121.3-175.1-172.264.4000110.1I586 F616 F652 E663 V664 T665 I683I586-L614 HydrophobicContact CB-CD1 3.72Å; I586-L614 HydrophobicContact CG2-CD1 3.65Å; I586-L614 WeakPolarHBondContact O-CA 3.28Å; L614-F616 HydrophobicContact CD2-CD2 4.46Å; L614-F616 HydrophobicContact CD2-CE1 4.44Å; L614-F616 HydrophobicContact CD2-CE2 3.39Å; L614-F616 HydrophobicContact CD2-CZ 3.37Å; L614-F616 HydrophobicContact CG-CD2 4.34Å; L614-F616 HydrophobicContact CG-CE2 3.69Å; L614-F616 HydrophobicContact CG-CZ 3.84Å; L614-F652 HydrophobicContact CD1-CE2 4Å; L614-F652 HydrophobicContact CD1-CZ 4.31Å; L614-F652 HydrophobicContact CD2-CD2 4.29Å; L614-F652 HydrophobicContact CD2-CE2 3.5Å; L614-F652 VanDerWaalsContact CD2-CE2 3.5Å; L614-F652 HydrophobicContact CD2-CZ 3.75Å; L614-F652 HydrophobicContact CG-CE2 4.41Å; L614-E663 PolarHBondContact N-O 3.31Å; L614-V664 HydrophobicContact CB-CG2 4.36Å; L614-V664 CarbonylContact O-C 3.54Å; L614-V664 VanDerWaalsContact O-CA 3.28Å; L614-V664 WeakPolarHBondContact O-CA 3.25Å; L614-T665 PolarHBondContact O-N 3.12Å; L614-I683 HydrophobicContact CD2-CG2 3.95Å
615D86.6Confident70.2Confident7 Ų746 Ų464%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-107.6128.9176.2-71.1-9.8000110.4Y585 I586 S588 Y617 T665Y585-D615 HydrophobicContact CE2-CB 4.33Å; Y585-D615 WeakPolarHBondContact CE2-OD2 3.39Å; Y585-D615 PolarHBondContact OH-OD2 3.14Å; I586-D615 PolarHBondContact O-N 2.93Å; S588-D615 WeakPolarHBondContact CB-O 3.44Å; S588-D615 PolarHBondContact N-O 3.31Å; S588-D615 PolarHBondContact OG-O 3.19Å; D615-Y617 HydrophobicContact CB-CE2 3.77Å; D615-Y617 WeakPolarHBondContact CB-OH 3.35Å; D615-Y617 PolarHBondContact OD2-OH 3.49Å; D615-T665 WeakPolarHBondContact OD1-CB 3.39Å; D615-T665 PolarHBondContact OD1-OG1 2.8Å
616F87.5Confident67.4Low0 Ų055.6 Ų55.60%032%0.315CS..EExtended strand (participates in β ladder)trans-112.9146.5170.6-63.4-80.1000111S588 L614 I644 A648 V664 T665 L666 R667 F669 L680 I683S588-F616 VanDerWaalsContact CB-CD1 3.44Å; S588-F616 WeakPolarHBondContact OG-CA 3.24Å; S588-F616 WeakPolarHBondContact OG-CD1 3.41Å; L614-F616 HydrophobicContact CD2-CD2 4.46Å; L614-F616 HydrophobicContact CD2-CE1 4.44Å; L614-F616 HydrophobicContact CD2-CE2 3.39Å; L614-F616 HydrophobicContact CD2-CZ 3.37Å; L614-F616 HydrophobicContact CG-CD2 4.34Å; L614-F616 HydrophobicContact CG-CE2 3.69Å; L614-F616 HydrophobicContact CG-CZ 3.84Å; F616-I644 HydrophobicContact CB-CD1 4.44Å; F616-I644 HydrophobicContact CD1-CD1 3.74Å; F616-I644 HydrophobicContact CD1-CG2 4.45Å; F616-I644 HydrophobicContact CE1-CD1 4.04Å; F616-I644 HydrophobicContact CE1-CG2 3.84Å; F616-I644 HydrophobicContact CG-CD1 4Å; F616-I644 HydrophobicContact CZ-CG2 4.39Å; F616-A648 HydrophobicContact CE1-CB 3.9Å; F616-A648 HydrophobicContact CZ-CB 4.44Å; F616-V664 HydrophobicContact CD2-CG1 3.6Å; F616-V664 HydrophobicContact CE2-CG1 3.67Å; F616-T665 PolarHBondContact N-O 3.03Å; F616-L666 HydrophobicContact CB-CD2 3.92Å; F616-L666 HydrophobicContact CD2-CD2 3.78Å; F616-L666 HydrophobicContact CG-CD2 4.23Å; F616-R667 PolarHBondContact O-N 3.5Å; F616-F669 HydrophobicContact CB-CE2 3.96Å; F616-F669 HydrophobicContact CB-CZ 3.76Å; F616-L680 HydrophobicContact CD2-CD2 4.24Å; F616-L680 HydrophobicContact CE2-CD2 4.03Å; F616-I683 HydrophobicContact CZ-CD1 3.75Å
617Y82.3Confident64.6Low13 Ų1360.3 Ų60.35%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-127.7130.9-176-57-84000110.3R147 N587 E589 D615 R667R147-Y617 WeakPolarHBondContact CD-OH 3.3Å; N587-Y617 WeakPolarHBondContact OD1-CE2 3.06Å; E589-Y617 HydrophobicContact CG-CD2 3.87Å; E589-Y617 WeakPolarHBondContact OE1-CB 3.39Å; D615-Y617 HydrophobicContact CB-CE2 3.77Å; D615-Y617 WeakPolarHBondContact CB-OH 3.35Å; D615-Y617 PolarHBondContact OD2-OH 3.49Å; Y617-R667 CarbonylContact C-O 3.58Å; Y617-R667 WeakPolarHBondContact CA-O 3.43Å; Y617-R667 HydrophobicContact CD1-CB 3.8Å; Y617-R667 HydrophobicContact CD1-CG 4.42Å; Y617-R667 HydrophobicContact CE1-CB 4.14Å; Y617-R667 HydrophobicContact CE1-CG 4.28Å
618G71.3Confident61.9Low6 Ų663.2 Ų63.26%0.06238%0.38CS..PPolyproline II helixtrans-79.4141.6161.600000109.1R667 D668G618-R667 PolarHBondContact N-O 3.3Å; G618-D668 CarbonylContact C-O 3.53Å; G618-D668 WeakPolarHBondContact CA-O 3.43Å
619G60.9Low59.3Low46 Ų4672 Ų7247%0.47442%0.421SS..PPolyproline II helixtrans-51.1152.1178.600000112.7M621G619-M621 PolarHBondContact O-N 3.19Å; G619-M621 VanDerWaalsContact O-N 3.14Å
620A45Very low56.1Low105 Ų10579.7 Ų79.787%0.86846%0.462SS*.PPolyproline II helixtrans-49.5117.6-168.600000113.1A622A620-A622 PolarHBondContact O-N 3.42Å
621M39.3Very low53.7Low67 Ų6783.8 Ų83.833%0.3349%0.489SS..PPolyproline II helixtrans-66.8121.1160.5-77.4-166.2-168.100108G619 S623 A698G619-M621 PolarHBondContact O-N 3.19Å; G619-M621 VanDerWaalsContact O-N 3.14Å; M621-S623 PolarHBondContact O-N 2.98Å; M621-A698 HydrophobicContact CE-CB 3.67Å
622A33Very low50.9Low91 Ų9184.5 Ų84.575%0.75251%0.508SS*.PPolyproline II helixtrans-50126.1163.100000108.6A620 W624A620-A622 PolarHBondContact O-N 3.42Å; A622-W624 PolarHBondContact O-N 3.4Å
623S31Very low48.3Very low96 Ų9691.7 Ų91.767%0.67155%0.552SS**  trans-39.2126.2-175.1500000114.4M621 D625M621-S623 PolarHBondContact O-N 2.98Å; S623-D625 PolarHBondContact O-N 3.28Å
624W30.2Very low45.4Very low228 Ų22898 Ų9886%0.86459%0.585SS**SBendtrans-71.962.9160.4-80.9-7000111.6A622A622-W624 PolarHBondContact O-N 3.4Å
625D28.3Very low42.5Very low145 Ų145106.9 Ų106.978%0.77563%0.626SS**  trans-154.173.8164.2-92.2-31.9000107.5S623S623-D625 PolarHBondContact O-N 3.28Å
626K27.2Very low39.7Very low202 Ų202115.4 Ų115.488%0.87867%0.668SS**  trans-168.297.2154.3-105.3171.5-168.6-169.10108.5
627A27.1Very low37.1Very low100 Ų100124.4 Ų124.483%0.82671%0.71SS**  trans-65.3136.2159.800000109.1
628A29.9Very low35Very low89 Ų89133 Ų13374%0.73675%0.75SS**SBendtrans64.5130.9158.600000119.7
629E32.8Very low33.9Very low189 Ų189136.5 Ų136.588%0.88378%0.779SS**  trans66.493.1155-65.3177.4-178.600117.7
630D25.2Very low33.7Very low163 Ų163137.7 Ų137.787%0.87278%0.779SS**  -162119.5118.4-123.5-21.3000111.3G632D630-G632 PolarHBondContact O-N 3.06Å; D630-G632 VanDerWaalsContact O-N 3.17Å
631T36.2Very low34.6Very low151 Ų151140.1 Ų140.193%0.92677%0.772SS**  trans-75.994.1168.337.80000108.9
632G26.8Very low36.4Very low54 Ų54138.7 Ų138.756%0.55777%0.767SS**  trans-138.1112171.200000110.2D630 I634D630-G632 PolarHBondContact O-N 3.06Å; D630-G632 VanDerWaalsContact O-N 3.17Å; G632-I634 PolarHBondContact O-N 2.99Å
633T34.6Very low38.6Very low153 Ų153135.7 Ų135.794%0.93974%0.736SS**  trans-58.197.7-179.7-40.80000111
634I28.6Very low41.1Very low152 Ų152131.1 Ų131.178%0.77970%0.704SS**  trans-95.3125.4167.2-61.9172.7000107G632 M636G632-I634 PolarHBondContact O-N 2.99Å; I634-M636 PolarHBondContact O-N 3.3Å; I634-M636 VanDerWaalsContact O-N 3.12Å
635H28.3Very low43.7Very low188 Ų188122.1 Ų122.187%0.8768%0.675SS**  trans-48.2116.3174.9-84.9-85.9000110.6E637H635-E637 PolarHBondContact O-N 3.22Å
636M28.2Very low46.3Very low185 Ų185120 Ų12091%0.91167%0.672SS**  trans-72112.7173.8-68.2-138.2169.900109.1I634 E638I634-M636 PolarHBondContact O-N 3.3Å; I634-M636 VanDerWaalsContact O-N 3.12Å; M636-E638 PolarHBondContact O-N 2.96Å
637E33Very low49.1Very low190 Ų190114.6 Ų114.689%0.88865%0.646SS**PPolyproline II helixtrans-55.3128.4159.1-82.3179.6150.900108.4H635 A639H635-E637 PolarHBondContact O-N 3.22Å; E637-A639 PolarHBondContact O-N 3.4Å
638E39Very low51.9Low192 Ų192109.8 Ų109.890%0.89761%0.606SS**PPolyproline II helixtrans-54.6121.8177.1-73.1179.315400109.6M636M636-E638 PolarHBondContact O-N 2.96Å
639A48.1Very low54.5Low80 Ų80106.3 Ų106.366%0.66158%0.576SS**PPolyproline II helixtrans-55.7134178.200000109.8E637 E641E637-A639 PolarHBondContact O-N 3.4Å; A639-E641 PolarHBondContact O-N 3.35Å
640P55.9Low57.1Low72 Ų7299.1 Ų99.147%0.46855%0.547SS..PPolyproline II helixtrans-57.5137.2-175.121.4-32000111.3T642 Y643P640-T642 PolarHBondContact O-N 3.18Å; P640-Y643 HydrophobicContact CG-CD1 4.04Å; P640-Y643 HydrophobicContact CG-CE1 3.65Å
641E64Low60Low156 Ų15691.6 Ų91.673%0.72951%0.506SS*.SBendtrans-57.6-18.6177.7-91.9-164170.700113.7A639 N673 K675A639-E641 PolarHBondContact O-N 3.35Å; E641-N673 PolarHBondContact O-ND2 3.13Å; E641-K675 IonicContact OE2-NZ 2.77Å
642T76.4Confident62.2Low36 Ų3684.8 Ų84.822%0.22146%0.464CS..  trans-160.5138.2177.4-179.60000109.4P640 I644 D676P640-T642 PolarHBondContact O-N 3.18Å; T642-I644 PolarHBondContact OG1-N 3Å; T642-I644 PolarHBondContact OG1-O 2.98Å; T642-D676 WeakPolarHBondContact CA-OD1 3.45Å; T642-D676 VanDerWaalsContact CB-OD1 3.26Å; T642-D676 WeakPolarHBondContact CB-OD1 3.28Å; T642-D676 PolarHBondContact OG1-OD1 2.86Å
643Y80.6Confident64.8Low29 Ų2985.5 Ų85.511%0.11445%0.452CS..SBendtrans-85.7-13.4173.3-71-67.2000112.4P640 P645 F669 S670 K671 D676P640-Y643 HydrophobicContact CG-CD1 4.04Å; P640-Y643 HydrophobicContact CG-CE1 3.65Å; Y643-P645 WeakPolarHBondContact O-CD 3.47Å; Y643-F669 AromaticContact CD2-CD1 3.86Å; Y643-F669 HydrophobicContact CD2-CD1 3.86Å; Y643-F669 HydrophobicContact CD2-CE1 4.2Å; Y643-F669 HydrophobicContact CG-CD1 4Å; Y643-F669 AromaticContact CG-CE1 3.98Å; Y643-F669 HydrophobicContact CG-CE1 3.98Å; Y643-S670 PolarHBondContact OH-OG 2.9Å; Y643-K671 WeakPolarHBondContact CD2-O 3.36Å; Y643-K671 HydrophobicContact CE2-CB 4.27Å; Y643-K671 WeakPolarHBondContact CE2-O 3.43Å; Y643-D676 PolarHBondContact N-OD1 3.34Å
644I83.8Confident66.8Low0 Ų084.1 Ų84.10%044%0.439CS..SBendtrans-89.6114.7-179.5-53.1-56.6000109.1F616 T642 S646 V649 F669 D676 Y679 L680 I683F616-I644 HydrophobicContact CB-CD1 4.44Å; F616-I644 HydrophobicContact CD1-CD1 3.74Å; F616-I644 HydrophobicContact CD1-CG2 4.45Å; F616-I644 HydrophobicContact CE1-CD1 4.04Å; F616-I644 HydrophobicContact CE1-CG2 3.84Å; F616-I644 HydrophobicContact CG-CD1 4Å; F616-I644 HydrophobicContact CZ-CG2 4.39Å; T642-I644 PolarHBondContact OG1-N 3Å; T642-I644 PolarHBondContact OG1-O 2.98Å; I644-S646 PolarHBondContact O-N 3.16Å; I644-V649 HydrophobicContact CG2-CG2 3.86Å; I644-F669 HydrophobicContact CD1-CE1 4.27Å; I644-F669 HydrophobicContact CD1-CZ 4.2Å; I644-D676 HydrophobicContact CG1-CB 4.12Å; I644-Y679 HydrophobicContact CB-CD2 4.17Å; I644-Y679 HydrophobicContact CG2-CD2 4.43Å; I644-L680 HydrophobicContact CD1-CD1 4.42Å; I644-L680 HydrophobicContact CD1-CD2 3.7Å; I644-L680 HydrophobicContact CD1-CG 3.96Å; I644-L680 HydrophobicContact CG1-CD2 4.43Å; I644-L680 HydrophobicContact CG1-CG 4.26Å; I644-I683 HydrophobicContact CG2-CD1 4.2Å
645P83.6Confident69.2Low39 Ų3978.1 Ų78.125%0.25341%0.406SS..  trans-63.1137.3-176.3-2537000112S588 Y643 R647 A648 V649S588-P645 WeakPolarHBondContact O-CG 3.39Å; Y643-P645 WeakPolarHBondContact O-CD 3.47Å; P645-R647 PolarHBondContact O-N 3.12Å; P645-A648 HydrophobicContact CB-CB 4.39Å; P645-A648 WeakPolarHBondContact O-CB 3.49Å; P645-A648 PolarHBondContact O-N 3.02Å; P645-V649 PolarHBondContact O-N 3.12Å; P645-V649 VanDerWaalsContact O-N 3.11Å
646S83.1Confident71.3Confident100 Ų10078.9 Ų78.970%0.69941%0.407SS*.Hα-helixtrans-58-32.1177.959.30000112.7I644 V649 S650I644-S646 PolarHBondContact O-N 3.16Å; S646-V649 WeakPolarHBondContact O-CB 3.45Å; S646-V649 PolarHBondContact O-N 2.91Å; S646-S650 PolarHBondContact O-N 2.68Å; S646-S650 PolarHBondContact O-OG 3.37Å
647R85.3Confident73.5Confident88 Ų8874.5 Ų74.533%0.33238%0.384SS..Hα-helixtrans-60.1-45.5171.4-93.6-179.687.795.6-6.9112.2I591 P592 D593 F596 P645 V649 S650 L651I591-R647 HydrophobicContact CD1-CB 4.37Å; I591-R647 PolarHBondContact O-NE 3.47Å; I591-R647 PolarHBondContact O-NH2 3.25Å; P592-R647 PolarHBondContact O-NH2 2.68Å; D593-R647 VanDerWaalsContact N-NH2 3.18Å; D593-R647 IonicContact OD1-CZ 3.09Å; D593-R647 IonicContact OD1-NH1 3.78Å; D593-R647 PolarHBondContact OD1-NH1 2.85Å; D593-R647 IonicContact OD1-NH2 3.17Å; D593-R647 PolarHBondContact OD1-NH2 2.75Å; F596-R647 HydrophobicContact CE2-CG 4.48Å; F596-R647 VanDerWaalsContact CE2-CZ 3.45Å; F596-R647 VanDerWaalsContact CE2-NH2 3.28Å; F596-R647 HydrophobicContact CZ-CB 4.15Å; F596-R647 HydrophobicContact CZ-CG 4.08Å; F596-R647 WeakPolarHBondContact CZ-O 3.49Å; P645-R647 PolarHBondContact O-N 3.12Å; R647-V649 VanDerWaalsContact C-N 3.32Å; R647-V649 PolarHBondContact O-N 3.15Å; R647-S650 WeakPolarHBondContact CA-OG 3.33Å; R647-S650 PolarHBondContact O-N 3.13Å; R647-S650 PolarHBondContact O-OG 3.42Å; R647-L651 PolarHBondContact O-N 2.79Å
648A86.4Confident75.8Confident0 Ų071.4 Ų71.40%037%0.37CS..Hα-helixtrans-61.4-45.4177.500000110.3I591 F616 P645 S650 L651 F652I591-A648 HydrophobicContact CD1-CB 3.57Å; F616-A648 HydrophobicContact CE1-CB 3.9Å; F616-A648 HydrophobicContact CZ-CB 4.44Å; P645-A648 HydrophobicContact CB-CB 4.39Å; P645-A648 WeakPolarHBondContact O-CB 3.49Å; P645-A648 PolarHBondContact O-N 3.02Å; A648-S650 PolarHBondContact O-N 3.36Å; A648-L651 PolarHBondContact O-N 2.8Å; A648-F652 WeakPolarHBondContact O-CD2 2.93Å; A648-F652 PolarHBondContact O-N 2.77Å
649V85.1Confident78Confident15 Ų1562.3 Ų62.39%0.09133%0.327CS..Hα-helixtrans-55.3-51.5174.2178.90000110.6I644 P645 S646 R647 L651 F652 F653 Y679I644-V649 HydrophobicContact CG2-CG2 3.86Å; P645-V649 PolarHBondContact O-N 3.12Å; P645-V649 VanDerWaalsContact O-N 3.11Å; S646-V649 WeakPolarHBondContact O-CB 3.45Å; S646-V649 PolarHBondContact O-N 2.91Å; R647-V649 VanDerWaalsContact C-N 3.32Å; R647-V649 PolarHBondContact O-N 3.15Å; V649-L651 VanDerWaalsContact C-N 3.32Å; V649-L651 PolarHBondContact O-N 3.04Å; V649-F652 PolarHBondContact O-N 3.48Å; V649-F653 HydrophobicContact CB-CD1 4.49Å; V649-F653 HydrophobicContact CB-CE1 4.34Å; V649-F653 HydrophobicContact CG1-CD1 3.71Å; V649-F653 HydrophobicContact CG1-CD2 3.96Å; V649-F653 HydrophobicContact CG1-CE1 3.5Å; V649-F653 VanDerWaalsContact CG1-CE1 3.5Å; V649-F653 HydrophobicContact CG1-CE2 3.72Å; V649-F653 HydrophobicContact CG1-CG 3.93Å; V649-F653 HydrophobicContact CG1-CZ 3.47Å; V649-F653 VanDerWaalsContact CG1-CZ 3.47Å; V649-F653 WeakPolarHBondContact O-CB 3.35Å; V649-F653 WeakPolarHBondContact O-CD1 3.49Å; V649-F653 VanDerWaalsContact O-CG 3.27Å; V649-F653 WeakPolarHBondContact O-CG 3.49Å; V649-F653 PolarHBondContact O-N 2.91Å; V649-Y679 HydrophobicContact CG1-CD1 4.07Å; V649-Y679 HydrophobicContact CG1-CE1 4.05Å; V649-Y679 HydrophobicContact CG2-CD1 4.02Å; V649-Y679 HydrophobicContact CG2-CD2 3.85Å; V649-Y679 HydrophobicContact CG2-CE1 4.35Å; V649-Y679 HydrophobicContact CG2-CE2 4.19Å; V649-Y679 HydrophobicContact CG2-CG 3.75Å
650S86.1Confident79.9Confident39 Ų3963.8 Ų63.827%0.27332%0.316SS..Hα-helixtrans-62.7-36-178.858.70000113.8F596 S646 R647 A648 N654F596-S650 VanDerWaalsContact CE1-OG 3.32Å; F596-S650 WeakPolarHBondContact CE1-OG 3.32Å; S646-S650 PolarHBondContact O-N 2.68Å; S646-S650 PolarHBondContact O-OG 3.37Å; R647-S650 WeakPolarHBondContact CA-OG 3.33Å; R647-S650 PolarHBondContact O-N 3.13Å; R647-S650 PolarHBondContact O-OG 3.42Å; A648-S650 PolarHBondContact O-N 3.36Å; S650-N654 WeakPolarHBondContact O-CB 3.34Å; S650-N654 VanDerWaalsContact O-CG 3.26Å; S650-N654 PolarHBondContact O-N 3.11Å; S650-N654 PolarHBondContact O-ND2 3.34Å
651L86.4Confident81.5Confident4 Ų461.3 Ų61.32%0.02130%0.299CS..Hα-helixtrans-63.9-47.1-179.6-174.667.7000111.2I586 I591 L595 F596 F599 R647 A648 V649I586-L651 HydrophobicContact CD1-CD2 4.07Å; I591-L651 HydrophobicContact CG2-CD2 4.01Å; L595-L651 HydrophobicContact CB-CD1 4.4Å; F596-L651 HydrophobicContact CB-CD1 4.49Å; F596-L651 HydrophobicContact CD1-CB 4.39Å; F596-L651 HydrophobicContact CD1-CD1 3.76Å; F596-L651 HydrophobicContact CD2-CD1 4.27Å; F596-L651 HydrophobicContact CE1-CB 3.76Å; F596-L651 HydrophobicContact CE1-CD1 3.94Å; F596-L651 HydrophobicContact CE1-CG 4.48Å; F596-L651 HydrophobicContact CE2-CD1 4.42Å; F596-L651 HydrophobicContact CG-CD1 3.94Å; F596-L651 HydrophobicContact CZ-CB 3.98Å; F596-L651 HydrophobicContact CZ-CD1 4.28Å; F599-L651 HydrophobicContact CB-CD1 4.31Å; F599-L651 HydrophobicContact CD1-CD1 4.4Å; F599-L651 HydrophobicContact CD2-CD1 3.95Å; F599-L651 HydrophobicContact CD2-CG 4.03Å; F599-L651 HydrophobicContact CE2-CD1 4.35Å; F599-L651 HydrophobicContact CE2-CD2 4.34Å; F599-L651 HydrophobicContact CE2-CG 4.04Å; F599-L651 HydrophobicContact CG-CD1 3.99Å; F599-L651 HydrophobicContact CZ-CD2 4.45Å; R647-L651 PolarHBondContact O-N 2.79Å; A648-L651 PolarHBondContact O-N 2.8Å; V649-L651 VanDerWaalsContact C-N 3.32Å; V649-L651 PolarHBondContact O-N 3.04Å
652F83.9Confident82.8Confident8 Ų853.9 Ų53.94%0.03527%0.265CS..Hα-helixtrans-84.9-22.8-177.7-71.3-82.6000113.6I586 F599 L614 A648 V649 W655 F659 L662 I683I586-F652 HydrophobicContact CD1-CZ 4.27Å; F599-F652 HydrophobicContact CE2-CE1 4.45Å; L614-F652 HydrophobicContact CD1-CE2 4Å; L614-F652 HydrophobicContact CD1-CZ 4.31Å; L614-F652 HydrophobicContact CD2-CD2 4.29Å; L614-F652 HydrophobicContact CD2-CE2 3.5Å; L614-F652 VanDerWaalsContact CD2-CE2 3.5Å; L614-F652 HydrophobicContact CD2-CZ 3.75Å; L614-F652 HydrophobicContact CG-CE2 4.41Å; A648-F652 WeakPolarHBondContact O-CD2 2.93Å; A648-F652 PolarHBondContact O-N 2.77Å; V649-F652 PolarHBondContact O-N 3.48Å; F652-W655 WeakPolarHBondContact O-CB 3.34Å; F652-F659 AromaticContact CD1-CE2 3.76Å; F652-F659 HydrophobicContact CD1-CE2 3.76Å; F652-F659 HydrophobicContact CD1-CZ 4.48Å; F652-F659 HydrophobicContact CE1-CD2 4.48Å; F652-F659 AromaticContact CE1-CE2 3.81Å; F652-F659 HydrophobicContact CE1-CE2 3.81Å; F652-F659 HydrophobicContact CE1-CZ 4.37Å; F652-L662 HydrophobicContact CE1-CD1 4.12Å; F652-L662 HydrophobicContact CZ-CD1 4.47Å; F652-I683 HydrophobicContact CB-CG1 4.1Å; F652-I683 HydrophobicContact CD1-CG2 4.46Å; F652-I683 HydrophobicContact CD2-CG1 4.46Å; F652-I683 HydrophobicContact CD2-CG2 4.33Å; F652-I683 HydrophobicContact CG-CG1 4.4Å; F652-I683 HydrophobicContact CG-CG2 4.24Å
653F81.4Confident83.5Confident69 Ų6952.2 Ų52.230%0.30325%0.254SS..Hα-helixtrans-81.3-30.8-178.8-81.944.1000112.8V649 W655 Y679 K682 I683V649-F653 HydrophobicContact CB-CD1 4.49Å; V649-F653 HydrophobicContact CB-CE1 4.34Å; V649-F653 HydrophobicContact CG1-CD1 3.71Å; V649-F653 HydrophobicContact CG1-CD2 3.96Å; V649-F653 HydrophobicContact CG1-CE1 3.5Å; V649-F653 VanDerWaalsContact CG1-CE1 3.5Å; V649-F653 HydrophobicContact CG1-CE2 3.72Å; V649-F653 HydrophobicContact CG1-CG 3.93Å; V649-F653 HydrophobicContact CG1-CZ 3.47Å; V649-F653 VanDerWaalsContact CG1-CZ 3.47Å; V649-F653 WeakPolarHBondContact O-CB 3.35Å; V649-F653 WeakPolarHBondContact O-CD1 3.49Å; V649-F653 VanDerWaalsContact O-CG 3.27Å; V649-F653 WeakPolarHBondContact O-CG 3.49Å; V649-F653 PolarHBondContact O-N 2.91Å; F653-W655 PolarHBondContact O-N 2.98Å; F653-Y679 AromaticContact CZ-CD1 3.88Å; F653-Y679 HydrophobicContact CZ-CD1 3.88Å; F653-Y679 HydrophobicContact CZ-CE1 4.45Å; F653-K682 HydrophobicContact CD1-CB 4.39Å; F653-K682 HydrophobicContact CD2-CD 4.15Å; F653-K682 HydrophobicContact CE1-CB 3.52Å; F653-K682 HydrophobicContact CE1-CD 3.87Å; F653-K682 HydrophobicContact CE1-CG 4.38Å; F653-K682 HydrophobicContact CE2-CB 4.44Å; F653-K682 HydrophobicContact CE2-CD 3.23Å; F653-K682 HydrophobicContact CE2-CG 4.48Å; F653-K682 HydrophobicContact CZ-CB 3.57Å; F653-K682 HydrophobicContact CZ-CD 3.06Å; F653-K682 HydrophobicContact CZ-CG 3.95Å; F653-I683 HydrophobicContact CE1-CG1 4.45Å
654N76.1Confident84Confident124 Ų12450.8 Ų50.866%0.66325%0.249SC*.SBendtrans-77.6-12.3176.7-67.4-12.4000111.8S650S650-N654 WeakPolarHBondContact O-CB 3.34Å; S650-N654 VanDerWaalsContact O-CG 3.26Å; S650-N654 PolarHBondContact O-N 3.11Å; S650-N654 PolarHBondContact O-ND2 3.34Å
655W77.5Confident84.3Confident26 Ų2650.8 Ų50.810%0.09825%0.249CC..  trans-76.7131.9179.1-176.5-104.5000111.8F599 P603 A606 F652 F653 Q657 F659F599-W655 HydrophobicContact CB-CE3 3.96Å; F599-W655 HydrophobicContact CB-CZ3 4.17Å; F599-W655 HydrophobicContact CD2-CD2 4.29Å; F599-W655 AromaticContact CD2-CE3 3.87Å; F599-W655 HydrophobicContact CD2-CE3 3.87Å; F599-W655 HydrophobicContact CD2-CZ3 4.43Å; F599-W655 HydrophobicContact CG-CE3 4.15Å; F599-W655 HydrophobicContact CG-CZ3 4.37Å; F599-W655 WeakPolarHBondContact O-CZ3 3.49Å; P603-W655 VanDerWaalsContact CA-CH2 3.46Å; P603-W655 HydrophobicContact CB-CH2 3.72Å; P603-W655 HydrophobicContact CB-CZ3 3.82Å; P603-W655 WeakPolarHBondContact O-CH2 3.42Å; A606-W655 HydrophobicContact CB-CH2 3.49Å; A606-W655 VanDerWaalsContact CB-CH2 3.49Å; A606-W655 HydrophobicContact CB-CZ2 4.13Å; A606-W655 HydrophobicContact CB-CZ3 3.98Å; F652-W655 WeakPolarHBondContact O-CB 3.34Å; F653-W655 PolarHBondContact O-N 2.98Å; W655-Q657 HydrophobicContact CZ2-CB 3.76Å; W655-Q657 VanDerWaalsContact NE1-C 3.3Å; W655-Q657 PolarHBondContact NE1-O 3.47Å; W655-F659 AromaticContact CD1-CE2 3.45Å; W655-F659 VanDerWaalsContact CD1-CE2 3.45Å; W655-F659 AromaticContact CD1-CZ 3.46Å; W655-F659 VanDerWaalsContact CD1-CZ 3.46Å; W655-F659 HydrophobicContact CD2-CE1 4.12Å; W655-F659 HydrophobicContact CD2-CE2 4.41Å; W655-F659 AromaticContact CD2-CZ 3.66Å; W655-F659 HydrophobicContact CD2-CZ 3.66Å; W655-F659 AromaticContact CE2-CE1 3.47Å; W655-F659 VanDerWaalsContact CE2-CE1 3.47Å; W655-F659 AromaticContact CE2-CZ 3.4Å; W655-F659 VanDerWaalsContact CE2-CZ 3.4Å; W655-F659 HydrophobicContact CE3-CZ 4.46Å; W655-F659 HydrophobicContact CG-CE2 4.02Å; W655-F659 AromaticContact CG-CZ 3.7Å; W655-F659 HydrophobicContact CG-CZ 3.7Å; W655-F659 HydrophobicContact CH2-CE1 4.33Å; W655-F659 HydrophobicContact CZ2-CD1 4.28Å; W655-F659 AromaticContact CZ2-CE1 3.62Å; W655-F659 HydrophobicContact CZ2-CE1 3.62Å; W655-F659 HydrophobicContact CZ2-CZ 4.04Å; W655-F659 AromaticContact NE1-CD2 4Å; W655-F659 AromaticContact NE1-CE1 3.53Å; W655-F659 AromaticContact NE1-CE2 3.49Å; W655-F659 AromaticContact NE1-CZ 3.23Å
656K72.9Confident84.6Confident204 Ų20449 Ų4989%0.88724%0.237SC*.  trans-109-14.9-171.5-64.2-179.5-177.7173.60114.8
657Q75.6Confident84.8Confident93 Ų9346.2 Ų46.244%0.43521%0.211SC..SBendtrans-99.8173.8-179.6-65.2-177.5-4.900110.3S607 W655S607-Q657 PolarHBondContact OG-OE1 3.38Å; S607-Q657 VanDerWaalsContact OG-OE1 3.13Å; W655-Q657 HydrophobicContact CZ2-CB 3.76Å; W655-Q657 VanDerWaalsContact NE1-C 3.3Å; W655-Q657 PolarHBondContact NE1-O 3.47Å
658E81Confident84.8Confident125 Ų12543.8 Ų43.858%0.58421%0.205SC*.PPolyproline II helixtrans-101135.3174.3-67.9-177.5174.700110.3S686 T688E658-S686 CarbonylContact C-O 3.34Å; E658-S686 WeakPolarHBondContact CA-O 3.41Å; E658-T688 HydrophobicContact CB-CG2 4.13Å; E658-T688 WeakPolarHBondContact OE2-CG2 3.44Å
659F84.8Confident84.8Confident2 Ų243.8 Ų43.81%0.00921%0.205CC..BIsolated β-bridgetrans-75.8148.6168.9-59.3-65000110.4F599 A606 I612 F652 W655 S686 A687 T688F599-F659 HydrophobicContact CD2-CZ 4.13Å; F599-F659 HydrophobicContact CE2-CE1 4.17Å; F599-F659 HydrophobicContact CE2-CE2 4.44Å; F599-F659 AromaticContact CE2-CZ 3.52Å; F599-F659 HydrophobicContact CE2-CZ 3.52Å; F599-F659 HydrophobicContact CZ-CE1 4.47Å; F599-F659 HydrophobicContact CZ-CZ 4.19Å; A606-F659 HydrophobicContact CB-CE1 4.26Å; I612-F659 HydrophobicContact CD1-CD1 3.36Å; I612-F659 HydrophobicContact CD1-CD2 4.35Å; I612-F659 HydrophobicContact CD1-CE1 3.31Å; I612-F659 HydrophobicContact CD1-CE2 4.33Å; I612-F659 HydrophobicContact CD1-CG 3.91Å; I612-F659 HydrophobicContact CD1-CZ 3.84Å; I612-F659 HydrophobicContact CG1-CD1 4.39Å; F652-F659 AromaticContact CD1-CE2 3.76Å; F652-F659 HydrophobicContact CD1-CE2 3.76Å; F652-F659 HydrophobicContact CD1-CZ 4.48Å; F652-F659 HydrophobicContact CE1-CD2 4.48Å; F652-F659 AromaticContact CE1-CE2 3.81Å; F652-F659 HydrophobicContact CE1-CE2 3.81Å; F652-F659 HydrophobicContact CE1-CZ 4.37Å; W655-F659 AromaticContact CD1-CE2 3.45Å; W655-F659 VanDerWaalsContact CD1-CE2 3.45Å; W655-F659 AromaticContact CD1-CZ 3.46Å; W655-F659 VanDerWaalsContact CD1-CZ 3.46Å; W655-F659 HydrophobicContact CD2-CE1 4.12Å; W655-F659 HydrophobicContact CD2-CE2 4.41Å; W655-F659 AromaticContact CD2-CZ 3.66Å; W655-F659 HydrophobicContact CD2-CZ 3.66Å; W655-F659 AromaticContact CE2-CE1 3.47Å; W655-F659 VanDerWaalsContact CE2-CE1 3.47Å; W655-F659 AromaticContact CE2-CZ 3.4Å; W655-F659 VanDerWaalsContact CE2-CZ 3.4Å; W655-F659 HydrophobicContact CE3-CZ 4.46Å; W655-F659 HydrophobicContact CG-CE2 4.02Å; W655-F659 AromaticContact CG-CZ 3.7Å; W655-F659 HydrophobicContact CG-CZ 3.7Å; W655-F659 HydrophobicContact CH2-CE1 4.33Å; W655-F659 HydrophobicContact CZ2-CD1 4.28Å; W655-F659 AromaticContact CZ2-CE1 3.62Å; W655-F659 HydrophobicContact CZ2-CE1 3.62Å; W655-F659 HydrophobicContact CZ2-CZ 4.04Å; W655-F659 AromaticContact NE1-CD2 4Å; W655-F659 AromaticContact NE1-CE1 3.53Å; W655-F659 AromaticContact NE1-CE2 3.49Å; W655-F659 AromaticContact NE1-CZ 3.23Å; F659-S686 WeakPolarHBondContact CD2-O 3.49Å; F659-S686 PolarHBondContact N-O 3.31Å; F659-A687 HydrophobicContact CB-CB 4.05Å; F659-A687 CarbonylContact O-C 3.38Å; F659-A687 VanDerWaalsContact O-CA 3.26Å; F659-A687 WeakPolarHBondContact O-CA 3.26Å; F659-T688 PolarHBondContact O-N 2.82Å
660R87.8Confident84.7Confident111 Ų11145.8 Ų45.842%0.41922%0.219SC..SBendtrans-61.3-61.6174.1-68.4-177.6-179.1-169.9-3110.7D610 T688 S689D610-R660 IonicContact OD1-NH1 2.6Å; D610-R660 PolarHBondContact OD1-NH1 2.67Å; R660-T688 PolarHBondContact O-OG1 3.45Å; R660-S689 WeakPolarHBondContact O-CB 3.36Å; R660-S689 PolarHBondContact O-N 3.49Å
661T89.6Confident84.6Confident20 Ų2050.9 Ų50.912%0.12324%0.237CC..  trans-134.6138179.3-60.20000111.2D610 F611 I612 S689 Y715D610-T661 WeakPolarHBondContact O-CB 3.34Å; D610-T661 PolarHBondContact O-N 3.19Å; F611-T661 CarbonylContact C-O 3.56Å; F611-T661 WeakPolarHBondContact CA-O 3.41Å; F611-T661 HydrophobicContact CB-CG2 3.85Å; I612-T661 PolarHBondContact N-O 2.75Å; T661-S689 CarbonylContact C-O 3.37Å; T661-S689 VanDerWaalsContact CA-O 3.29Å; T661-S689 WeakPolarHBondContact CA-O 3.06Å; T661-Y715 HydrophobicContact CG2-CE1 4.32Å; T661-Y715 WeakPolarHBondContact CG2-OH 3.43Å
662L91.2Very high84.4Confident0 Ų051.1 Ų51.10%024%0.238CC..EExtended strand (participates in β ladder)trans-115.2126.2169-166.170000109.3I612 F652 V664 I683 A687 S689 L690 R691I612-L662 HydrophobicContact CB-CD1 3.94Å; I612-L662 HydrophobicContact CG2-CD1 4.09Å; I612-L662 WeakPolarHBondContact O-CA 3.41Å; F652-L662 HydrophobicContact CE1-CD1 4.12Å; F652-L662 HydrophobicContact CZ-CD1 4.47Å; L662-V664 HydrophobicContact CD2-CG2 3.69Å; L662-V664 HydrophobicContact CG-CG2 3.68Å; L662-I683 HydrophobicContact CD2-CG2 3.87Å; L662-A687 HydrophobicContact CB-CB 3.61Å; L662-S689 PolarHBondContact N-O 2.94Å; L662-L690 HydrophobicContact CB-CD1 4.25Å; L662-L690 HydrophobicContact CD2-CD1 4.35Å; L662-L690 WeakPolarHBondContact O-CA 2.8Å; L662-R691 PolarHBondContact O-N 3.06Å
663E90.5Very high84.5Confident0 Ų052.7 Ų52.70%025%0.247CC..EExtended strand (participates in β ladder)trans-108.3113.9171.5-179.1172.4140.400108.5I612 K613 L614 R691 Q693I612-E663 PolarHBondContact O-N 3.42Å; K613-E663 CarbonylContact C-O 3.57Å; K613-E663 VanDerWaalsContact CA-O 3.31Å; K613-E663 WeakPolarHBondContact CA-O 3.28Å; K613-E663 HydrophobicContact CG-CG 4.47Å; K613-E663 IonicContact NZ-OE1 2.67Å; L614-E663 PolarHBondContact N-O 3.31Å; E663-R691 CarbonylContact C-O 3.44Å; E663-R691 WeakPolarHBondContact CA-O 3.41Å; E663-R691 HydrophobicContact CB-CB 4.28Å; E663-R691 HydrophobicContact CG-CB 4.14Å; E663-R691 IonicContact OE2-NH1 3.71Å; E663-R691 PolarHBondContact OE2-NH1 3.44Å; E663-Q693 PolarHBondContact OE1-NE2 2.81Å
664V91.4Very high84.6Confident0 Ų058.2 Ų58.20%027%0.271CS..EExtended strand (participates in β ladder)trans-115.2129.2-177.3-174.80000110.6L614 F616 L662 L666 F684 L690 R691 L692 Q693L614-V664 HydrophobicContact CB-CG2 4.36Å; L614-V664 CarbonylContact O-C 3.54Å; L614-V664 VanDerWaalsContact O-CA 3.28Å; L614-V664 WeakPolarHBondContact O-CA 3.25Å; F616-V664 HydrophobicContact CD2-CG1 3.6Å; F616-V664 HydrophobicContact CE2-CG1 3.67Å; L662-V664 HydrophobicContact CD2-CG2 3.69Å; L662-V664 HydrophobicContact CG-CG2 3.68Å; V664-L666 HydrophobicContact CG1-CD2 4.1Å; V664-F684 HydrophobicContact CB-CE1 3.87Å; V664-F684 HydrophobicContact CG1-CE1 3.92Å; V664-F684 HydrophobicContact CG2-CD1 4.1Å; V664-F684 HydrophobicContact CG2-CE1 3.73Å; V664-L690 HydrophobicContact CG2-CD1 4.13Å; V664-R691 PolarHBondContact N-O 2.57Å; V664-L692 HydrophobicContact CB-CD1 4.25Å; V664-L692 HydrophobicContact CG1-CD1 4.47Å; V664-Q693 PolarHBondContact O-N 3.2Å
665T89.8Confident85.1Confident0 Ų056.4 Ų56.40%026%0.257CS..EExtended strand (participates in β ladder)trans-110.5122.9172-37.90000110.4L614 D615 F616 R667 Q693 K695L614-T665 PolarHBondContact O-N 3.12Å; D615-T665 WeakPolarHBondContact OD1-CB 3.39Å; D615-T665 PolarHBondContact OD1-OG1 2.8Å; F616-T665 PolarHBondContact N-O 3.03Å; T665-R667 HydrophobicContact CG2-CG 3.74Å; T665-Q693 CarbonylContact C-O 3.56Å; T665-Q693 WeakPolarHBondContact CA-O 3.39Å; T665-Q693 HydrophobicContact CG2-CB 3.75Å; T665-K695 HydrophobicContact CG2-CD 4.2Å; T665-K695 HydrophobicContact CG2-CG 4.42Å
666L90.6Very high85.6Confident1 Ų155.1 Ų55.11%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-98.6126.8167.7-51.9-176.1000108.1F616 V664 F669 L680 L692 Q693 I694 K695 C697F616-L666 HydrophobicContact CB-CD2 3.92Å; F616-L666 HydrophobicContact CD2-CD2 3.78Å; F616-L666 HydrophobicContact CG-CD2 4.23Å; V664-L666 HydrophobicContact CG1-CD2 4.1Å; L666-F669 HydrophobicContact CB-CD2 4.07Å; L666-F669 HydrophobicContact CB-CE2 3.93Å; L666-F669 HydrophobicContact CD2-CE2 4.25Å; L666-F669 HydrophobicContact CD2-CZ 4.21Å; L666-L680 HydrophobicContact CD1-CD1 4.12Å; L666-L680 HydrophobicContact CD2-CD1 4.41Å; L666-L680 HydrophobicContact CD2-CD2 3.99Å; L666-L692 HydrophobicContact CD1-CD1 4.38Å; L666-L692 HydrophobicContact CG-CD1 4.27Å; L666-Q693 PolarHBondContact N-O 3.5Å; L666-I694 HydrophobicContact CD1-CG1 4.32Å; L666-K695 PolarHBondContact O-N 3.05Å; L666-C697 PolarHBondContact O-SG 2.86Å
667R87.8Confident86.3Confident42 Ų4246.1 Ų46.116%0.15821%0.213CC..EExtended strand (participates in β ladder)trans-128.7134.5-177-63.7173.9-179.4-91.63.5111.5F616 Y617 G618 T665 F669 K695F616-R667 PolarHBondContact O-N 3.5Å; Y617-R667 CarbonylContact C-O 3.58Å; Y617-R667 WeakPolarHBondContact CA-O 3.43Å; Y617-R667 HydrophobicContact CD1-CB 3.8Å; Y617-R667 HydrophobicContact CD1-CG 4.42Å; Y617-R667 HydrophobicContact CE1-CB 4.14Å; Y617-R667 HydrophobicContact CE1-CG 4.28Å; G618-R667 PolarHBondContact N-O 3.3Å; T665-R667 HydrophobicContact CG2-CG 3.74Å; R667-F669 VanDerWaalsContact C-N 3.27Å; R667-F669 WeakPolarHBondContact O-CD2 3.35Å; R667-F669 PolarHBondContact O-N 2.82Å; R667-K695 CarbonylContact C-O 3.58Å; R667-K695 VanDerWaalsContact CA-O 3.29Å; R667-K695 WeakPolarHBondContact CA-O 3.41Å; R667-K695 HydrophobicContact CG-CB 4.33Å
668D84.6Confident86.9Confident37 Ų3748.2 Ų48.220%0.19822%0.221CC..SBendtrans60.928.4167.9-51-54.9000114.7G618 S670 K695 R696G618-D668 CarbonylContact C-O 3.53Å; G618-D668 WeakPolarHBondContact CA-O 3.43Å; D668-S670 PolarHBondContact O-N 2.88Å; D668-K695 PolarHBondContact N-O 2.84Å; D668-R696 WeakPolarHBondContact CA-O 3.48Å; D668-R696 WeakPolarHBondContact OD1-CB 3.48Å; D668-R696 WeakPolarHBondContact OD1-CD 3.47Å
669F86.3Confident87.4Confident0 Ų045 Ų450%020%0.204CC..  trans-75.4115177.9-77.3-115.7000111.5F616 Y643 I644 L666 R667 L672 C697 A698 G699F616-F669 HydrophobicContact CB-CE2 3.96Å; F616-F669 HydrophobicContact CB-CZ 3.76Å; Y643-F669 AromaticContact CD2-CD1 3.86Å; Y643-F669 HydrophobicContact CD2-CD1 3.86Å; Y643-F669 HydrophobicContact CD2-CE1 4.2Å; Y643-F669 HydrophobicContact CG-CD1 4Å; Y643-F669 AromaticContact CG-CE1 3.98Å; Y643-F669 HydrophobicContact CG-CE1 3.98Å; I644-F669 HydrophobicContact CD1-CE1 4.27Å; I644-F669 HydrophobicContact CD1-CZ 4.2Å; L666-F669 HydrophobicContact CB-CD2 4.07Å; L666-F669 HydrophobicContact CB-CE2 3.93Å; L666-F669 HydrophobicContact CD2-CE2 4.25Å; L666-F669 HydrophobicContact CD2-CZ 4.21Å; R667-F669 VanDerWaalsContact C-N 3.27Å; R667-F669 WeakPolarHBondContact O-CD2 3.35Å; R667-F669 PolarHBondContact O-N 2.82Å; F669-L672 HydrophobicContact CD1-CD1 3.56Å; F669-L672 HydrophobicContact CE1-CD1 3.78Å; F669-C697 HydrophobicContact CB-CB 3.99Å; F669-C697 CarbonylContact O-C 3.56Å; F669-C697 VanDerWaalsContact O-C 3.3Å; F669-C697 VanDerWaalsContact O-CA 3.3Å; F669-C697 WeakPolarHBondContact O-CA 3.38Å; F669-A698 PolarHBondContact O-N 3.27Å; F669-G699 PolarHBondContact O-N 2.85Å
670S83.9Confident87.6Confident57 Ų5745 Ų4540%0.39920%0.204SC..SBendtrans-81.1-25.3174.764.60000113.7Y643 D668 G699Y643-S670 PolarHBondContact OH-OG 2.9Å; D668-S670 PolarHBondContact O-N 2.88Å; S670-G699 VanDerWaalsContact C-CA 3.46Å; S670-G699 WeakPolarHBondContact O-CA 3.49Å; S670-G699 PolarHBondContact O-N 2.99Å
671K83.1Confident87.6Confident145 Ų14540.1 Ų40.163%0.6319%0.188SC*.  trans-147.3149.3175.5-169.1173.4-177.3177.70109.6Y643Y643-K671 WeakPolarHBondContact CD2-O 3.36Å; Y643-K671 HydrophobicContact CE2-CB 4.27Å; Y643-K671 WeakPolarHBondContact CE2-O 3.43Å
672L83.6Confident87.5Confident10 Ų1043.7 Ų43.75%0.05220%0.202CC..  trans-125.2112.3170-158.176.7000108.8F669 D676 I677 L680 G699 V707F669-L672 HydrophobicContact CD1-CD1 3.56Å; F669-L672 HydrophobicContact CE1-CD1 3.78Å; L672-D676 HydrophobicContact CD1-CB 3.96Å; L672-D676 HydrophobicContact CG-CB 4.17Å; L672-I677 HydrophobicContact CD2-CD1 4.37Å; L672-I677 HydrophobicContact CD2-CG1 3.66Å; L672-I677 HydrophobicContact CG-CG1 3.99Å; L672-L680 HydrophobicContact CD1-CD1 4.14Å; L672-L680 HydrophobicContact CD2-CD1 4.36Å; L672-G699 PolarHBondContact N-O 3.43Å; L672-V707 HydrophobicContact CD2-CG2 3.37Å
673N84.1Confident87.4Confident41 Ų4143.7 Ų43.722%0.21920%0.202CC..  trans-91.8168.8-175.972.343.7000112.2E641 K675 D676 I677E641-N673 PolarHBondContact O-ND2 3.13Å; N673-K675 PolarHBondContact O-N 3.37Å; N673-K675 WeakPolarHBondContact OD1-CA 3.43Å; N673-K675 VanDerWaalsContact OD1-CB 3.26Å; N673-K675 WeakPolarHBondContact OD1-CB 3.46Å; N673-K675 PolarHBondContact OD1-N 3.4Å; N673-D676 PolarHBondContact N-OD2 3.49Å; N673-D676 PolarHBondContact ND2-OD2 3.04Å; N673-D676 WeakPolarHBondContact O-CB 3.42Å; N673-D676 PolarHBondContact O-N 2.85Å; N673-D676 VanDerWaalsContact O-N 3.17Å; N673-D676 VanDerWaalsContact OD1-CG 3.31Å; N673-D676 PolarHBondContact OD1-N 3.21Å; N673-D676 PolarHBondContact OD1-OD2 3.27Å; N673-I677 WeakPolarHBondContact O-CG1 3.42Å; N673-I677 PolarHBondContact O-N 3.17Å
674K84.9Confident87.3Confident185 Ų18544 Ų4480%0.80420%0.203SC*.Hα-helixtrans-59.4-30.2-178.8-69.1-174179.2-179.30113.3K678K674-K678 WeakPolarHBondContact O-CB 3.49Å; K674-K678 PolarHBondContact O-N 3.34Å; K674-K678 VanDerWaalsContact O-N 3.14Å
675K87.1Confident87.1Confident85 Ų8547.7 Ų47.737%0.3723%0.229SC..Hα-helixtrans-72.5-44178.3-173.5-179.3177.4-1750110.2E641 N673 I677 K678 Y679E641-K675 IonicContact OE2-NZ 2.77Å; N673-K675 PolarHBondContact O-N 3.37Å; N673-K675 WeakPolarHBondContact OD1-CA 3.43Å; N673-K675 VanDerWaalsContact OD1-CB 3.26Å; N673-K675 WeakPolarHBondContact OD1-CB 3.46Å; N673-K675 PolarHBondContact OD1-N 3.4Å; K675-I677 PolarHBondContact O-N 2.96Å; K675-K678 PolarHBondContact O-N 3.16Å; K675-Y679 HydrophobicContact CD-CE2 4.1Å; K675-Y679 WeakPolarHBondContact CE-OH 3.36Å; K675-Y679 HydrophobicContact CG-CD2 4.14Å; K675-Y679 HydrophobicContact CG-CE2 3.56Å; K675-Y679 WeakPolarHBondContact O-CD2 3.36Å; K675-Y679 PolarHBondContact O-N 3.15Å
676D87.9Confident86.9Confident0 Ų048.2 Ų48.20%023%0.233CC..Hα-helixtrans-57.8-48.6173.5-60.8-37.9000111.2T642 Y643 I644 L672 N673 K678 Y679 L680T642-D676 WeakPolarHBondContact CA-OD1 3.45Å; T642-D676 VanDerWaalsContact CB-OD1 3.26Å; T642-D676 WeakPolarHBondContact CB-OD1 3.28Å; T642-D676 PolarHBondContact OG1-OD1 2.86Å; Y643-D676 PolarHBondContact N-OD1 3.34Å; I644-D676 HydrophobicContact CG1-CB 4.12Å; L672-D676 HydrophobicContact CD1-CB 3.96Å; L672-D676 HydrophobicContact CG-CB 4.17Å; N673-D676 PolarHBondContact N-OD2 3.49Å; N673-D676 PolarHBondContact ND2-OD2 3.04Å; N673-D676 WeakPolarHBondContact O-CB 3.42Å; N673-D676 PolarHBondContact O-N 2.85Å; N673-D676 VanDerWaalsContact O-N 3.17Å; N673-D676 VanDerWaalsContact OD1-CG 3.31Å; N673-D676 PolarHBondContact OD1-N 3.21Å; N673-D676 PolarHBondContact OD1-OD2 3.27Å; D676-K678 VanDerWaalsContact C-N 3.3Å; D676-K678 PolarHBondContact O-N 3.12Å; D676-Y679 PolarHBondContact O-N 3.24Å; D676-Y679 VanDerWaalsContact O-N 3.13Å; D676-L680 WeakPolarHBondContact O-CB 3.37Å; D676-L680 WeakPolarHBondContact O-CG 3.36Å; D676-L680 PolarHBondContact O-N 3.07Å
677I87.8Confident86.8Confident15 Ų1548.1 Ų48.18%0.07723%0.233CC..Hα-helixtrans-59.5-42.3178.8-63.6164.9000110.7L672 N673 K675 G681 L706 V707 T710L672-I677 HydrophobicContact CD2-CD1 4.37Å; L672-I677 HydrophobicContact CD2-CG1 3.66Å; L672-I677 HydrophobicContact CG-CG1 3.99Å; N673-I677 WeakPolarHBondContact O-CG1 3.42Å; N673-I677 PolarHBondContact O-N 3.17Å; K675-I677 PolarHBondContact O-N 2.96Å; I677-G681 PolarHBondContact O-N 3.45Å; I677-L706 HydrophobicContact CD1-CB 4.07Å; I677-L706 HydrophobicContact CD1-CD1 3.97Å; I677-L706 HydrophobicContact CG2-CB 4.17Å; I677-V707 HydrophobicContact CG1-CG2 4.08Å; I677-V707 HydrophobicContact CG2-CG2 4.41Å; I677-T710 HydrophobicContact CG2-CG2 4.44Å
678K88.4Confident86.9Confident137 Ų13749.6 Ų49.660%0.59625%0.246SC*.Hα-helixtrans-65.3-39177-174.8178.4-179.3178.30112.2K674 K675 D676 K682K674-K678 WeakPolarHBondContact O-CB 3.49Å; K674-K678 PolarHBondContact O-N 3.34Å; K674-K678 VanDerWaalsContact O-N 3.14Å; K675-K678 PolarHBondContact O-N 3.16Å; D676-K678 VanDerWaalsContact C-N 3.3Å; D676-K678 PolarHBondContact O-N 3.12Å; K678-K682 PolarHBondContact O-N 2.71Å
679Y90.1Very high87.1Confident58 Ų5849.3 Ų49.323%0.22725%0.247CC..Hα-helixtrans-68.2-47.6176.4-68.9-29.1000111.7I644 V649 F653 K675 D676 G681 K682 I683I644-Y679 HydrophobicContact CB-CD2 4.17Å; I644-Y679 HydrophobicContact CG2-CD2 4.43Å; V649-Y679 HydrophobicContact CG1-CD1 4.07Å; V649-Y679 HydrophobicContact CG1-CE1 4.05Å; V649-Y679 HydrophobicContact CG2-CD1 4.02Å; V649-Y679 HydrophobicContact CG2-CD2 3.85Å; V649-Y679 HydrophobicContact CG2-CE1 4.35Å; V649-Y679 HydrophobicContact CG2-CE2 4.19Å; V649-Y679 HydrophobicContact CG2-CG 3.75Å; F653-Y679 AromaticContact CZ-CD1 3.88Å; F653-Y679 HydrophobicContact CZ-CD1 3.88Å; F653-Y679 HydrophobicContact CZ-CE1 4.45Å; K675-Y679 HydrophobicContact CD-CE2 4.1Å; K675-Y679 WeakPolarHBondContact CE-OH 3.36Å; K675-Y679 HydrophobicContact CG-CD2 4.14Å; K675-Y679 HydrophobicContact CG-CE2 3.56Å; K675-Y679 WeakPolarHBondContact O-CD2 3.36Å; K675-Y679 PolarHBondContact O-N 3.15Å; D676-Y679 PolarHBondContact O-N 3.24Å; D676-Y679 VanDerWaalsContact O-N 3.13Å; Y679-G681 VanDerWaalsContact C-N 3.35Å; Y679-G681 PolarHBondContact O-N 3.16Å; Y679-K682 PolarHBondContact O-N 2.97Å; Y679-I683 WeakPolarHBondContact O-CG1 3.49Å; Y679-I683 PolarHBondContact O-N 2.9Å
680L90.1Very high87.4Confident0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-56.7-47.7174.8-73.6175000111.4F616 I644 L666 L672 D676 K682 I683 F684F616-L680 HydrophobicContact CD2-CD2 4.24Å; F616-L680 HydrophobicContact CE2-CD2 4.03Å; I644-L680 HydrophobicContact CD1-CD1 4.42Å; I644-L680 HydrophobicContact CD1-CD2 3.7Å; I644-L680 HydrophobicContact CD1-CG 3.96Å; I644-L680 HydrophobicContact CG1-CD2 4.43Å; I644-L680 HydrophobicContact CG1-CG 4.26Å; L666-L680 HydrophobicContact CD1-CD1 4.12Å; L666-L680 HydrophobicContact CD2-CD1 4.41Å; L666-L680 HydrophobicContact CD2-CD2 3.99Å; L672-L680 HydrophobicContact CD1-CD1 4.14Å; L672-L680 HydrophobicContact CD2-CD1 4.36Å; D676-L680 WeakPolarHBondContact O-CB 3.37Å; D676-L680 WeakPolarHBondContact O-CG 3.36Å; D676-L680 PolarHBondContact O-N 3.07Å; L680-K682 VanDerWaalsContact C-N 3.27Å; L680-K682 PolarHBondContact O-N 2.7Å; L680-I683 PolarHBondContact O-N 3.33Å; L680-I683 VanDerWaalsContact O-N 3.08Å; L680-F684 HydrophobicContact CB-CD2 4.28Å; L680-F684 HydrophobicContact CB-CE2 3.73Å; L680-F684 HydrophobicContact CB-CZ 3.9Å; L680-F684 HydrophobicContact CD2-CE1 4.21Å; L680-F684 HydrophobicContact CD2-CZ 3.87Å; L680-F684 HydrophobicContact CG-CZ 4.32Å; L680-F684 WeakPolarHBondContact O-CB 3.13Å; L680-F684 WeakPolarHBondContact O-CD2 3.35Å; L680-F684 WeakPolarHBondContact O-CG 3.36Å; L680-F684 PolarHBondContact O-N 3.14Å
681G87.9Confident87.8Confident9 Ų949.8 Ų49.89%0.09324%0.241CC..Hα-helixtrans-57-39.5178.100000113.3I677 Y679 S685 T710I677-G681 PolarHBondContact O-N 3.45Å; Y679-G681 VanDerWaalsContact C-N 3.35Å; Y679-G681 PolarHBondContact O-N 3.16Å; G681-S685 PolarHBondContact O-N 3.14Å; G681-S685 PolarHBondContact O-OG 2.9Å; G681-T710 WeakPolarHBondContact CA-OG1 3.42Å
682K86.4Confident88.2Confident96 Ų9642.9 Ų42.942%0.41721%0.211SC..Hα-helixtrans-69.9-40.2175.5-76.1-177167.3-164.30112.8F653 K678 Y679 L680 F684 S685F653-K682 HydrophobicContact CD1-CB 4.39Å; F653-K682 HydrophobicContact CD2-CD 4.15Å; F653-K682 HydrophobicContact CE1-CB 3.52Å; F653-K682 HydrophobicContact CE1-CD 3.87Å; F653-K682 HydrophobicContact CE1-CG 4.38Å; F653-K682 HydrophobicContact CE2-CB 4.44Å; F653-K682 HydrophobicContact CE2-CD 3.23Å; F653-K682 HydrophobicContact CE2-CG 4.48Å; F653-K682 HydrophobicContact CZ-CB 3.57Å; F653-K682 HydrophobicContact CZ-CD 3.06Å; F653-K682 HydrophobicContact CZ-CG 3.95Å; K678-K682 PolarHBondContact O-N 2.71Å; Y679-K682 PolarHBondContact O-N 2.97Å; L680-K682 VanDerWaalsContact C-N 3.27Å; L680-K682 PolarHBondContact O-N 2.7Å; K682-F684 VanDerWaalsContact C-N 3.34Å; K682-S685 WeakPolarHBondContact CA-OG 3.31Å; K682-S685 PolarHBondContact O-N 3.11Å; K682-S685 PolarHBondContact O-OG 3.43Å
683I89.1Confident88.5Confident0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-63.4-44175.3-66.7172.6000109.8L614 F616 I644 F652 F653 L662 Y679 L680 S685 S686L614-I683 HydrophobicContact CD2-CG2 3.95Å; F616-I683 HydrophobicContact CZ-CD1 3.75Å; I644-I683 HydrophobicContact CG2-CD1 4.2Å; F652-I683 HydrophobicContact CB-CG1 4.1Å; F652-I683 HydrophobicContact CD1-CG2 4.46Å; F652-I683 HydrophobicContact CD2-CG1 4.46Å; F652-I683 HydrophobicContact CD2-CG2 4.33Å; F652-I683 HydrophobicContact CG-CG1 4.4Å; F652-I683 HydrophobicContact CG-CG2 4.24Å; F653-I683 HydrophobicContact CE1-CG1 4.45Å; L662-I683 HydrophobicContact CD2-CG2 3.87Å; Y679-I683 WeakPolarHBondContact O-CG1 3.49Å; Y679-I683 PolarHBondContact O-N 2.9Å; L680-I683 PolarHBondContact O-N 3.33Å; L680-I683 VanDerWaalsContact O-N 3.08Å; I683-S685 VanDerWaalsContact C-N 3.32Å; I683-S685 PolarHBondContact O-N 3.34Å; I683-S686 WeakPolarHBondContact O-CB 3.27Å; I683-S686 PolarHBondContact O-N 3.32Å; I683-S686 VanDerWaalsContact O-N 3.12Å; I683-S686 PolarHBondContact O-OG 3.38Å
684F89.2Confident88.8Confident5 Ų540.5 Ų40.52%0.02220%0.198CC..Hα-helixtrans-64.9-33.6177.9-61.1-23000113.2V664 L680 K682 S686 A687 L690 L692 V707 C711V664-F684 HydrophobicContact CB-CE1 3.87Å; V664-F684 HydrophobicContact CG1-CE1 3.92Å; V664-F684 HydrophobicContact CG2-CD1 4.1Å; V664-F684 HydrophobicContact CG2-CE1 3.73Å; L680-F684 HydrophobicContact CB-CD2 4.28Å; L680-F684 HydrophobicContact CB-CE2 3.73Å; L680-F684 HydrophobicContact CB-CZ 3.9Å; L680-F684 HydrophobicContact CD2-CE1 4.21Å; L680-F684 HydrophobicContact CD2-CZ 3.87Å; L680-F684 HydrophobicContact CG-CZ 4.32Å; L680-F684 WeakPolarHBondContact O-CB 3.13Å; L680-F684 WeakPolarHBondContact O-CD2 3.35Å; L680-F684 WeakPolarHBondContact O-CG 3.36Å; L680-F684 PolarHBondContact O-N 3.14Å; K682-F684 VanDerWaalsContact C-N 3.34Å; F684-S686 PolarHBondContact O-N 2.94Å; F684-A687 PolarHBondContact O-N 3.13Å; F684-L690 HydrophobicContact CB-CD1 4.44Å; F684-L690 HydrophobicContact CB-CD2 3.94Å; F684-L690 HydrophobicContact CD1-CD1 3.65Å; F684-L690 HydrophobicContact CD1-CD2 4.02Å; F684-L690 HydrophobicContact CD2-CD2 4.14Å; F684-L690 HydrophobicContact CE1-CD1 4.19Å; F684-L690 HydrophobicContact CG-CD1 4.19Å; F684-L690 HydrophobicContact CG-CD2 3.77Å; F684-L692 HydrophobicContact CE1-CD1 4.32Å; F684-L692 HydrophobicContact CZ-CD1 3.84Å; F684-V707 HydrophobicContact CE2-CG1 3.78Å; F684-C711 WeakPolarHBondContact CD2-SG 3.1Å
685S86.3Confident89Confident78 Ų7832.5 Ų32.555%0.54516%0.163SC..THydrogen-bonded Turntrans-68.7-10.4175.164.30000114.5G681 K682 I683 A687G681-S685 PolarHBondContact O-N 3.14Å; G681-S685 PolarHBondContact O-OG 2.9Å; K682-S685 WeakPolarHBondContact CA-OG 3.31Å; K682-S685 PolarHBondContact O-N 3.11Å; K682-S685 PolarHBondContact O-OG 3.43Å; I683-S685 VanDerWaalsContact C-N 3.32Å; I683-S685 PolarHBondContact O-N 3.34Å; S685-A687 PolarHBondContact O-N 3.4Å
686S87.1Confident88.9Confident11 Ų1135 Ų358%0.07717%0.17CC..THydrogen-bonded Turntrans-75.3-4.1177.971.10000113.9E658 F659 I683 F684E658-S686 CarbonylContact C-O 3.34Å; E658-S686 WeakPolarHBondContact CA-O 3.41Å; F659-S686 WeakPolarHBondContact CD2-O 3.49Å; F659-S686 PolarHBondContact N-O 3.31Å; I683-S686 WeakPolarHBondContact O-CB 3.27Å; I683-S686 PolarHBondContact O-N 3.32Å; I683-S686 VanDerWaalsContact O-N 3.12Å; I683-S686 PolarHBondContact O-OG 3.38Å; F684-S686 PolarHBondContact O-N 2.94Å
687A88.3Confident88.9Confident0 Ų035 Ų350%017%0.17CC..BIsolated β-bridgetrans-131.2146.5-176.200000114.3F659 L662 F684 S685 S689 N713F659-A687 HydrophobicContact CB-CB 4.05Å; F659-A687 CarbonylContact O-C 3.38Å; F659-A687 VanDerWaalsContact O-CA 3.26Å; F659-A687 WeakPolarHBondContact O-CA 3.26Å; L662-A687 HydrophobicContact CB-CB 3.61Å; F684-A687 PolarHBondContact O-N 3.13Å; S685-A687 PolarHBondContact O-N 3.4Å; A687-S689 PolarHBondContact O-N 2.99Å; A687-N713 PolarHBondContact O-ND2 3.24Å
688T88.1Confident88.7Confident73 Ų7336.1 Ų36.145%0.44818%0.182SC..SBendtrans-72.7-16.3174.366.80000113E658 F659 R660 N713E658-T688 HydrophobicContact CB-CG2 4.13Å; E658-T688 WeakPolarHBondContact OE2-CG2 3.44Å; F659-T688 PolarHBondContact O-N 2.82Å; R660-T688 PolarHBondContact O-OG1 3.45Å; T688-N713 WeakPolarHBondContact O-CB 3.36Å
689S89.5Confident88.4Confident31 Ų3130.2 Ų30.222%0.21716%0.159CC..SBendtrans-145.1124.6-175.4-139.40000110.3R660 T661 L662 A687 Y715R660-S689 WeakPolarHBondContact O-CB 3.36Å; R660-S689 PolarHBondContact O-N 3.49Å; T661-S689 CarbonylContact C-O 3.37Å; T661-S689 VanDerWaalsContact CA-O 3.29Å; T661-S689 WeakPolarHBondContact CA-O 3.06Å; L662-S689 PolarHBondContact N-O 2.94Å; A687-S689 PolarHBondContact O-N 2.99Å; S689-Y715 WeakPolarHBondContact OG-CD1 3.48Å; S689-Y715 WeakPolarHBondContact OG-CE1 3.37Å
690L91.9Very high88.1Confident3 Ų327.5 Ų27.52%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-117.7130.3180-179.572.5000112.8L662 V664 F684 C711 N713 I714 Y715L662-L690 HydrophobicContact CB-CD1 4.25Å; L662-L690 HydrophobicContact CD2-CD1 4.35Å; L662-L690 WeakPolarHBondContact O-CA 2.8Å; V664-L690 HydrophobicContact CG2-CD1 4.13Å; F684-L690 HydrophobicContact CB-CD1 4.44Å; F684-L690 HydrophobicContact CB-CD2 3.94Å; F684-L690 HydrophobicContact CD1-CD1 3.65Å; F684-L690 HydrophobicContact CD1-CD2 4.02Å; F684-L690 HydrophobicContact CD2-CD2 4.14Å; F684-L690 HydrophobicContact CE1-CD1 4.19Å; F684-L690 HydrophobicContact CG-CD1 4.19Å; F684-L690 HydrophobicContact CG-CD2 3.77Å; L690-C711 HydrophobicContact CD2-CB 4.05Å; L690-N713 PolarHBondContact N-O 3.48Å; L690-I714 HydrophobicContact CB-CB 4.47Å; L690-I714 HydrophobicContact CD2-CB 4.24Å; L690-I714 HydrophobicContact CD2-CG1 4.44Å; L690-Y715 VanDerWaalsContact C-CE1 3.49Å; L690-Y715 WeakPolarHBondContact O-CD1 3.44Å; L690-Y715 WeakPolarHBondContact O-CE1 3.22Å; L690-Y715 PolarHBondContact O-N 2.87Å; L690-Y715 VanDerWaalsContact O-N 3.1Å
691R92.2Very high87.8Confident64 Ų6429.4 Ų29.424%0.24217%0.165CC..EExtended strand (participates in β ladder)trans-109.6123.9162.3-54.7-174.5-174.51548.6109.2L662 E663 V664 Y715 S716L662-R691 PolarHBondContact O-N 3.06Å; E663-R691 CarbonylContact C-O 3.44Å; E663-R691 WeakPolarHBondContact CA-O 3.41Å; E663-R691 HydrophobicContact CB-CB 4.28Å; E663-R691 HydrophobicContact CG-CB 4.14Å; E663-R691 IonicContact OE2-NH1 3.71Å; E663-R691 PolarHBondContact OE2-NH1 3.44Å; V664-R691 PolarHBondContact N-O 2.57Å; R691-Y715 HydrophobicContact CG-CE1 3.76Å; R691-Y715 HydrophobicContact CG-CE2 3.81Å; R691-Y715 WeakPolarHBondContact CG-OH 3.27Å; R691-Y715 PolarHBondContact NE-OH 2.92Å; R691-Y715 PolarHBondContact NH2-OH 2.66Å; R691-S716 WeakPolarHBondContact CA-O 3.31Å
692L92.6Very high87.6Confident0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-114.1128.7179.3-175.460.7000110.3V664 L666 F684 I694 V707 L708 I714 S716 L717 M718V664-L692 HydrophobicContact CB-CD1 4.25Å; V664-L692 HydrophobicContact CG1-CD1 4.47Å; L666-L692 HydrophobicContact CD1-CD1 4.38Å; L666-L692 HydrophobicContact CG-CD1 4.27Å; F684-L692 HydrophobicContact CE1-CD1 4.32Å; F684-L692 HydrophobicContact CZ-CD1 3.84Å; L692-I694 HydrophobicContact CD2-CD1 4.11Å; L692-I694 HydrophobicContact CD2-CG1 4.44Å; L692-I694 HydrophobicContact CG-CD1 4.33Å; L692-I694 HydrophobicContact CG-CG1 4.12Å; L692-V707 HydrophobicContact CD2-CG1 4.28Å; L692-L708 HydrophobicContact CD2-CD2 4.45Å; L692-I714 HydrophobicContact CB-CD1 3.98Å; L692-I714 HydrophobicContact CD2-CD1 4.42Å; L692-S716 PolarHBondContact N-O 3.42Å; L692-L717 HydrophobicContact CB-CD1 4.1Å; L692-L717 HydrophobicContact CD2-CD1 4.11Å; L692-L717 HydrophobicContact CG-CD1 4.19Å; L692-L717 CarbonylContact O-C 3.31Å; L692-L717 WeakPolarHBondContact O-CA 3.21Å; L692-M718 PolarHBondContact O-N 3.11Å
693Q90.6Very high87.6Confident0 Ų026.9 Ų26.90%016%0.162CC..EExtended strand (participates in β ladder)trans-118.7129.6174.5-62.6-178.728.200108.6L534 E663 V664 T665 L666 M718L534-Q693 HydrophobicContact CB-CG 3.94Å; L534-Q693 HydrophobicContact CD1-CG 3.97Å; E663-Q693 PolarHBondContact OE1-NE2 2.81Å; V664-Q693 PolarHBondContact O-N 3.2Å; T665-Q693 CarbonylContact C-O 3.56Å; T665-Q693 WeakPolarHBondContact CA-O 3.39Å; T665-Q693 HydrophobicContact CG2-CB 3.75Å; L666-Q693 PolarHBondContact N-O 3.5Å; Q693-M718 CarbonylContact C-O 3.53Å; Q693-M718 WeakPolarHBondContact CA-O 3.48Å; Q693-M718 HydrophobicContact CB-CE 3.96Å; Q693-M718 HydrophobicContact CB-SD 4.13Å; Q693-M718 HydrophobicContact CG-CB 4.31Å; Q693-M718 HydrophobicContact CG-CE 3.59Å; Q693-M718 HydrophobicContact CG-SD 4.29Å; Q693-M718 VanDerWaalsContact OE1-CE 3.3Å
694I90.4Very high87.5Confident1 Ų126.9 Ų26.91%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-126.1115.5179.3-58.3-179.2000107.3L666 L692 C697 V700 L704 M718 L719 E720L666-I694 HydrophobicContact CD1-CG1 4.32Å; L692-I694 HydrophobicContact CD2-CD1 4.11Å; L692-I694 HydrophobicContact CD2-CG1 4.44Å; L692-I694 HydrophobicContact CG-CD1 4.33Å; L692-I694 HydrophobicContact CG-CG1 4.12Å; I694-C697 HydrophobicContact CG2-CB 3.54Å; I694-V700 HydrophobicContact CD1-CG1 4.15Å; I694-V700 HydrophobicContact CG2-CB 4.45Å; I694-V700 HydrophobicContact CG2-CG1 4.4Å; I694-V700 HydrophobicContact CG2-CG2 3.94Å; I694-L704 HydrophobicContact CD1-CD1 3.47Å; I694-L704 VanDerWaalsContact CD1-CD1 3.47Å; I694-M718 PolarHBondContact N-O 3.09Å; I694-L719 HydrophobicContact CB-CD2 3.77Å; I694-L719 HydrophobicContact CD1-CD2 3.74Å; I694-L719 HydrophobicContact CG1-CD2 4.04Å; I694-L719 HydrophobicContact CG2-CD2 4.46Å; I694-L719 CarbonylContact O-C 3.58Å; I694-L719 WeakPolarHBondContact O-CA 3.26Å; I694-E720 PolarHBondContact O-N 2.85Å
695K88Confident87.3Confident17 Ų1727.5 Ų27.57%0.07417%0.167CC..EExtended strand (participates in β ladder)trans-125.8121.8-173.9-59.3-174.7172.4-112.90110E532 T665 L666 R667 D668 C697 M718 E720E532-K695 PolarHBondContact O-NZ 2.98Å; T665-K695 HydrophobicContact CG2-CD 4.2Å; T665-K695 HydrophobicContact CG2-CG 4.42Å; L666-K695 PolarHBondContact O-N 3.05Å; R667-K695 CarbonylContact C-O 3.58Å; R667-K695 VanDerWaalsContact CA-O 3.29Å; R667-K695 WeakPolarHBondContact CA-O 3.41Å; R667-K695 HydrophobicContact CG-CB 4.33Å; D668-K695 PolarHBondContact N-O 2.84Å; K695-C697 VanDerWaalsContact C-N 3.26Å; K695-C697 PolarHBondContact O-N 3.17Å; K695-C697 PolarHBondContact O-SG 3.37Å; K695-C697 VanDerWaalsContact O-SG 3.34Å; K695-M718 HydrophobicContact CG-SD 4.17Å; K695-E720 CarbonylContact C-O 3.52Å; K695-E720 WeakPolarHBondContact CA-O 3.4Å; K695-E720 HydrophobicContact CB-CB 4.47Å; K695-E720 WeakPolarHBondContact CD-OE2 3.45Å; K695-E720 WeakPolarHBondContact CE-OE2 3.15Å; K695-E720 HydrophobicContact CG-CB 4.12Å; K695-E720 IonicContact NZ-OE2 2.61Å; K695-E720 PolarHBondContact NZ-OE2 3.43Å
696R85.9Confident87.3Confident137 Ų13727.8 Ų27.852%0.51716%0.162SC..SBendtrans56.935.2176.2-55.2175.1-172.1-178.9-0.7114D668 E720 A721 S722D668-R696 WeakPolarHBondContact CA-O 3.48Å; D668-R696 WeakPolarHBondContact OD1-CB 3.48Å; D668-R696 WeakPolarHBondContact OD1-CD 3.47Å; R696-E720 PolarHBondContact N-O 3.3Å; R696-A721 WeakPolarHBondContact CA-O 3.48Å; R696-A721 HydrophobicContact CG-CB 4.07Å; R696-S722 PolarHBondContact N-OG 3.15Å; R696-S722 VanDerWaalsContact N-OG 3.14Å
697C86.4Confident87.3Confident0 Ų027.3 Ų27.30%016%0.159CC..  trans-100.787-177-64.80000111.2L666 F669 I694 K695 G699 V700 S722L666-C697 PolarHBondContact O-SG 2.86Å; F669-C697 HydrophobicContact CB-CB 3.99Å; F669-C697 CarbonylContact O-C 3.56Å; F669-C697 VanDerWaalsContact O-C 3.3Å; F669-C697 VanDerWaalsContact O-CA 3.3Å; F669-C697 WeakPolarHBondContact O-CA 3.38Å; I694-C697 HydrophobicContact CG2-CB 3.54Å; K695-C697 VanDerWaalsContact C-N 3.26Å; K695-C697 PolarHBondContact O-N 3.17Å; K695-C697 PolarHBondContact O-SG 3.37Å; K695-C697 VanDerWaalsContact O-SG 3.34Å; C697-G699 PolarHBondContact O-N 3.19Å; C697-V700 HydrophobicContact CB-CB 4.17Å; C697-V700 HydrophobicContact CB-CG2 3.5Å; C697-V700 PolarHBondContact O-N 3.11Å; C697-S722 PolarHBondContact N-OG 2.8Å
698A84.6Confident87.2Confident39 Ų3927.7 Ų27.732%0.32216%0.161SC..G310 helixtrans-59.1-35.3175.100000113.1M621 F669 V700 A701 P723M621-A698 HydrophobicContact CE-CB 3.67Å; F669-A698 PolarHBondContact O-N 3.27Å; A698-V700 PolarHBondContact O-N 3.43Å; A698-A701 PolarHBondContact O-N 3.33Å; A698-P723 HydrophobicContact CB-CG 4.39Å
699G81Confident87Confident12 Ų1227.8 Ų27.812%0.12416%0.164CC..G310 helixtrans-72.9-2.3-177.600000115.8F669 S670 L672 C697F669-G699 PolarHBondContact O-N 2.85Å; S670-G699 VanDerWaalsContact C-CA 3.46Å; S670-G699 WeakPolarHBondContact O-CA 3.49Å; S670-G699 PolarHBondContact O-N 2.99Å; L672-G699 PolarHBondContact N-O 3.43Å; C697-G699 PolarHBondContact O-N 3.19Å
700V84.3Confident86.6Confident2 Ų228.8 Ų28.81%0.01217%0.169CC..G310 helixtrans-82-21.5178.4167.20000111.8I694 C697 A698 G702 S703 L704I694-V700 HydrophobicContact CD1-CG1 4.15Å; I694-V700 HydrophobicContact CG2-CB 4.45Å; I694-V700 HydrophobicContact CG2-CG1 4.4Å; I694-V700 HydrophobicContact CG2-CG2 3.94Å; C697-V700 HydrophobicContact CB-CB 4.17Å; C697-V700 HydrophobicContact CB-CG2 3.5Å; C697-V700 PolarHBondContact O-N 3.11Å; A698-V700 PolarHBondContact O-N 3.43Å; V700-G702 PolarHBondContact O-N 2.81Å; V700-S703 PolarHBondContact O-N 2.93Å; V700-L704 HydrophobicContact CG1-CB 3.67Å; V700-L704 HydrophobicContact CG1-CD1 4.01Å; V700-L704 HydrophobicContact CG1-CD2 4.39Å; V700-L704 HydrophobicContact CG1-CG 4.23Å; V700-L704 PolarHBondContact O-N 2.94Å
701A83.6Confident86.1Confident40 Ų4029.2 Ų29.233%0.33117%0.172SC..THydrogen-bonded Turntrans-55.5123.8177.600000111.5A698 S703 P723 T725A698-A701 PolarHBondContact O-N 3.33Å; A701-S703 PolarHBondContact O-N 3.35Å; A701-P723 HydrophobicContact CB-CG 4.33Å; A701-T725 HydrophobicContact CB-CG2 4.16Å
702G83.7Confident85.3Confident28 Ų2834.5 Ų34.529%0.28920%0.197SC..THydrogen-bonded Turntrans75.5-5.8-177.500000114.8V700 D728V700-G702 PolarHBondContact O-N 2.81Å; G702-D728 PolarHBondContact N-OD2 2.84Å
703S86.8Confident84.8Confident24 Ų2438.1 Ų38.117%0.16822%0.216CC..THydrogen-bonded Turntrans-110.9-13.7179.5-61.30000112.7V700 A701 S705 L706 V707V700-S703 PolarHBondContact O-N 2.93Å; A701-S703 PolarHBondContact O-N 3.35Å; S703-S705 VanDerWaalsContact C-N 3.27Å; S703-S705 PolarHBondContact O-N 2.56Å; S703-L706 WeakPolarHBondContact O-CB 3.3Å; S703-L706 PolarHBondContact O-N 2.8Å; S703-L706 VanDerWaalsContact O-N 3.16Å; S703-V707 WeakPolarHBondContact O-CG2 3.4Å; S703-V707 PolarHBondContact O-N 3Å
704L87.3Confident84.7Confident0 Ų038.3 Ų38.30%022%0.217CC..Hα-helixtrans-62.9-38.4179.4-174.257.4000110.9I694 V700 L706 V707 L708 L719 L724 D728 I732I694-L704 HydrophobicContact CD1-CD1 3.47Å; I694-L704 VanDerWaalsContact CD1-CD1 3.47Å; V700-L704 HydrophobicContact CG1-CB 3.67Å; V700-L704 HydrophobicContact CG1-CD1 4.01Å; V700-L704 HydrophobicContact CG1-CD2 4.39Å; V700-L704 HydrophobicContact CG1-CG 4.23Å; V700-L704 PolarHBondContact O-N 2.94Å; L704-L706 VanDerWaalsContact C-N 3.29Å; L704-L706 PolarHBondContact O-N 2.88Å; L704-V707 PolarHBondContact O-N 3.24Å; L704-V707 VanDerWaalsContact O-N 3.15Å; L704-L708 HydrophobicContact CD1-CD1 4.26Å; L704-L708 HydrophobicContact CD1-CD2 4.41Å; L704-L708 HydrophobicContact CD1-CG 3.98Å; L704-L708 HydrophobicContact CD2-CD1 4.35Å; L704-L708 HydrophobicContact CG-CD1 3.86Å; L704-L708 HydrophobicContact CG-CG 4.05Å; L704-L708 WeakPolarHBondContact O-CB 3.16Å; L704-L708 WeakPolarHBondContact O-CG 3.22Å; L704-L708 PolarHBondContact O-N 2.62Å; L704-L719 HydrophobicContact CD2-CD1 4.33Å; L704-L719 HydrophobicContact CD2-CD2 4.24Å; L704-L724 HydrophobicContact CD2-CD2 3.72Å; L704-D728 HydrophobicContact CB-CB 4.01Å; L704-D728 WeakPolarHBondContact CB-OD1 3.27Å; L704-D728 HydrophobicContact CD2-CB 4.3Å; L704-D728 PolarHBondContact N-OD1 3.08Å; L704-I732 HydrophobicContact CD2-CD1 3.84Å; L704-I732 HydrophobicContact CD2-CG1 4.1Å
705S85.2Confident84.8Confident17 Ų1740.1 Ų40.112%0.11922%0.224CC..Hα-helixtrans-53.2-47.4173.762.20000111.6S703 L708 S709 D728 H731S703-S705 VanDerWaalsContact C-N 3.27Å; S703-S705 PolarHBondContact O-N 2.56Å; S705-L708 PolarHBondContact O-N 3.02Å; S705-S709 WeakPolarHBondContact O-CB 3.29Å; S705-S709 PolarHBondContact O-N 3.06Å; S705-D728 PolarHBondContact N-OD1 2.81Å; S705-H731 VanDerWaalsContact CA-CD2 3.45Å; S705-H731 WeakPolarHBondContact CA-CD2 2.92Å; S705-H731 PolarHBondContact O-CD2 2.86Å; S705-H731 VanDerWaalsContact O-CD2 3.26Å
706L86.1Confident85Confident84 Ų8439.3 Ų39.344%0.4422%0.221SC..Hα-helixtrans-64.4-42.7177.1-61.4173.9000111.8I677 S703 L704 S709 T710I677-L706 HydrophobicContact CD1-CB 4.07Å; I677-L706 HydrophobicContact CD1-CD1 3.97Å; I677-L706 HydrophobicContact CG2-CB 4.17Å; S703-L706 WeakPolarHBondContact O-CB 3.3Å; S703-L706 PolarHBondContact O-N 2.8Å; S703-L706 VanDerWaalsContact O-N 3.16Å; L704-L706 VanDerWaalsContact C-N 3.29Å; L704-L706 PolarHBondContact O-N 2.88Å; L706-S709 PolarHBondContact O-N 3.09Å; L706-S709 PolarHBondContact O-OG 2.87Å; L706-T710 PolarHBondContact O-N 3.47Å
707V87.2Confident85.4Confident2 Ų232.9 Ų32.91%0.01220%0.197CC..Hα-helixtrans-61.3-50.7176.6177.50000110.9L672 I677 F684 L692 S703 L704 S709 T710 C711L672-V707 HydrophobicContact CD2-CG2 3.37Å; I677-V707 HydrophobicContact CG1-CG2 4.08Å; I677-V707 HydrophobicContact CG2-CG2 4.41Å; F684-V707 HydrophobicContact CE2-CG1 3.78Å; L692-V707 HydrophobicContact CD2-CG1 4.28Å; S703-V707 WeakPolarHBondContact O-CG2 3.4Å; S703-V707 PolarHBondContact O-N 3Å; L704-V707 PolarHBondContact O-N 3.24Å; L704-V707 VanDerWaalsContact O-N 3.15Å; V707-S709 VanDerWaalsContact C-N 3.3Å; V707-S709 PolarHBondContact O-N 3.24Å; V707-T710 PolarHBondContact O-N 2.88Å; V707-T710 VanDerWaalsContact O-N 3.12Å; V707-T710 PolarHBondContact O-OG1 2.85Å; V707-C711 PolarHBondContact O-SG 2.82Å
708L86.3Confident85.6Confident8 Ų833 Ų334%0.04220%0.197CC..Hα-helixtrans-64.5-34.2179.9-67.3178.7000112.1L692 L704 S705 T710 C711 I714 I732 V735L692-L708 HydrophobicContact CD2-CD2 4.45Å; L704-L708 HydrophobicContact CD1-CD1 4.26Å; L704-L708 HydrophobicContact CD1-CD2 4.41Å; L704-L708 HydrophobicContact CD1-CG 3.98Å; L704-L708 HydrophobicContact CD2-CD1 4.35Å; L704-L708 HydrophobicContact CG-CD1 3.86Å; L704-L708 HydrophobicContact CG-CG 4.05Å; L704-L708 WeakPolarHBondContact O-CB 3.16Å; L704-L708 WeakPolarHBondContact O-CG 3.22Å; L704-L708 PolarHBondContact O-N 2.62Å; S705-L708 PolarHBondContact O-N 3.02Å; L708-T710 PolarHBondContact O-N 3.4Å; L708-C711 WeakPolarHBondContact O-CB 3.39Å; L708-C711 PolarHBondContact O-N 3.22Å; L708-I714 HydrophobicContact CD2-CD1 3.69Å; L708-I732 HydrophobicContact CD1-CG1 3.85Å; L708-V735 HydrophobicContact CD1-CG2 4.45Å
709S83.1Confident85.9Confident74 Ų7431.2 Ų31.252%0.51718%0.183SC..Hα-helixtrans-61.5-26.2175.778.60000113.3S705 L706 V707 C711S705-S709 WeakPolarHBondContact O-CB 3.29Å; S705-S709 PolarHBondContact O-N 3.06Å; L706-S709 PolarHBondContact O-N 3.09Å; L706-S709 PolarHBondContact O-OG 2.87Å; V707-S709 VanDerWaalsContact C-N 3.3Å; V707-S709 PolarHBondContact O-N 3.24Å; S709-C711 VanDerWaalsContact C-N 3.32Å
710T81.7Confident86.3Confident53 Ų5331.4 Ų31.433%0.32518%0.18SC..THydrogen-bonded Turntrans-81.9-11174.567.40000113.3I677 G681 L706 V707 L708I677-T710 HydrophobicContact CG2-CG2 4.44Å; G681-T710 WeakPolarHBondContact CA-OG1 3.42Å; L706-T710 PolarHBondContact O-N 3.47Å; V707-T710 PolarHBondContact O-N 2.88Å; V707-T710 VanDerWaalsContact O-N 3.12Å; V707-T710 PolarHBondContact O-OG1 2.85Å; L708-T710 PolarHBondContact O-N 3.4Å
711C80.7Confident86.4Confident12 Ų1232.9 Ų32.98%0.08119%0.193CC..  trans-103.8100.8-173.9-58.30000111.7F684 L690 V707 L708 S709 I714F684-C711 WeakPolarHBondContact CD2-SG 3.1Å; L690-C711 HydrophobicContact CD2-CB 4.05Å; V707-C711 PolarHBondContact O-SG 2.82Å; L708-C711 WeakPolarHBondContact O-CB 3.39Å; L708-C711 PolarHBondContact O-N 3.22Å; S709-C711 VanDerWaalsContact C-N 3.32Å; C711-I714 HydrophobicContact CB-CB 4.18Å; C711-I714 HydrophobicContact CB-CG2 4.2Å
712K76.1Confident86.5Confident175 Ų17531.1 Ų31.176%0.76118%0.178SC*.SBendtrans-82.1-26.3175.6-64.5-173.5-179.7-178.80114
713N81.9Confident86.7Confident76 Ų7631.8 Ų31.841%0.40618%0.177SC..SBendtrans-11019.2-168.8-63.9-20.5000113.7A687 T688 L690 Y715A687-N713 PolarHBondContact O-ND2 3.24Å; T688-N713 WeakPolarHBondContact O-CB 3.36Å; L690-N713 PolarHBondContact N-O 3.48Å; N713-Y715 PolarHBondContact O-N 2.89Å
714I89.4Confident86.7Confident3 Ų331.1 Ų31.12%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-72.3127.2177.9-169.8172.3000110.2L690 L692 L708 C711 L717 V735 L738L690-I714 HydrophobicContact CB-CB 4.47Å; L690-I714 HydrophobicContact CD2-CB 4.24Å; L690-I714 HydrophobicContact CD2-CG1 4.44Å; L692-I714 HydrophobicContact CB-CD1 3.98Å; L692-I714 HydrophobicContact CD2-CD1 4.42Å; L708-I714 HydrophobicContact CD2-CD1 3.69Å; C711-I714 HydrophobicContact CB-CB 4.18Å; C711-I714 HydrophobicContact CB-CG2 4.2Å; I714-L717 HydrophobicContact CD1-CB 4.32Å; I714-L717 HydrophobicContact CD1-CD1 4.31Å; I714-V735 HydrophobicContact CG2-CG1 3.47Å; I714-V735 VanDerWaalsContact CG2-CG1 3.47Å; I714-L738 HydrophobicContact CG1-CD1 4.28Å
715Y90.9Very high86.8Confident39 Ų3933.3 Ų33.315%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-122.9-10.9176.168.3-84000112.4T661 S689 L690 R691 N713 K739 T740T661-Y715 HydrophobicContact CG2-CE1 4.32Å; T661-Y715 WeakPolarHBondContact CG2-OH 3.43Å; S689-Y715 WeakPolarHBondContact OG-CD1 3.48Å; S689-Y715 WeakPolarHBondContact OG-CE1 3.37Å; L690-Y715 VanDerWaalsContact C-CE1 3.49Å; L690-Y715 WeakPolarHBondContact O-CD1 3.44Å; L690-Y715 WeakPolarHBondContact O-CE1 3.22Å; L690-Y715 PolarHBondContact O-N 2.87Å; L690-Y715 VanDerWaalsContact O-N 3.1Å; R691-Y715 HydrophobicContact CG-CE1 3.76Å; R691-Y715 HydrophobicContact CG-CE2 3.81Å; R691-Y715 WeakPolarHBondContact CG-OH 3.27Å; R691-Y715 PolarHBondContact NE-OH 2.92Å; R691-Y715 PolarHBondContact NH2-OH 2.66Å; N713-Y715 PolarHBondContact O-N 2.89Å; Y715-K739 WeakPolarHBondContact O-CA 3.23Å; Y715-K739 PolarHBondContact O-N 3.17Å; Y715-T740 PolarHBondContact O-N 3.45Å; Y715-T740 VanDerWaalsContact O-N 3.08Å
716S92.6Very high86.9Confident1 Ų134.9 Ų34.91%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-142.6131.1179-167.80000111.9L534 R691 L692 T740L534-S716 WeakPolarHBondContact CD1-OG 3.5Å; L534-S716 WeakPolarHBondContact CD2-OG 3.12Å; R691-S716 WeakPolarHBondContact CA-O 3.31Å; L692-S716 PolarHBondContact N-O 3.42Å; S716-T740 WeakPolarHBondContact CA-O 3.49Å; S716-T740 WeakPolarHBondContact OG-CB 3.24Å
717L93.8Very high87Confident2 Ų236.7 Ų36.71%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-131.3127.7178-178.963.3000109.7L692 I714 L719 I732 L738 T740 L741 S742L692-L717 HydrophobicContact CB-CD1 4.1Å; L692-L717 HydrophobicContact CD2-CD1 4.11Å; L692-L717 HydrophobicContact CG-CD1 4.19Å; L692-L717 CarbonylContact O-C 3.31Å; L692-L717 WeakPolarHBondContact O-CA 3.21Å; I714-L717 HydrophobicContact CD1-CB 4.32Å; I714-L717 HydrophobicContact CD1-CD1 4.31Å; L717-L719 HydrophobicContact CD1-CD2 3.99Å; L717-L719 HydrophobicContact CD1-CG 4.48Å; L717-L719 HydrophobicContact CD2-CD1 4.32Å; L717-L719 HydrophobicContact CD2-CG 4.47Å; L717-L719 HydrophobicContact CG-CD2 4.26Å; L717-L719 HydrophobicContact CG-CG 4.22Å; L717-I732 HydrophobicContact CD2-CD1 4.25Å; L717-I732 HydrophobicContact CD2-CG1 3.87Å; L717-I732 HydrophobicContact CD2-CG2 4.16Å; L717-L738 HydrophobicContact CB-CD1 3.97Å; L717-L738 HydrophobicContact CB-CD2 4.35Å; L717-T740 PolarHBondContact N-O 3.2Å; L717-L741 HydrophobicContact CB-CD1 4.23Å; L717-L741 HydrophobicContact CD2-CD1 4.15Å; L717-L741 HydrophobicContact CG-CD1 4.34Å; L717-L741 WeakPolarHBondContact O-CA 3.23Å; L717-S742 PolarHBondContact O-N 3.32Å
718M92.4Very high87.1Confident1 Ų136.6 Ų36.61%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-123.8133.5168.6174.7-107.1-79.800110.7E532 L534 L692 Q693 I694 K695 E720 S742E532-M718 WeakPolarHBondContact O-CE 3.37Å; L534-M718 HydrophobicContact CB-CE 4.27Å; L534-M718 HydrophobicContact CD1-CB 3.43Å; L534-M718 VanDerWaalsContact CD1-CB 3.43Å; L534-M718 HydrophobicContact CG-CB 3.96Å; L692-M718 PolarHBondContact O-N 3.11Å; Q693-M718 CarbonylContact C-O 3.53Å; Q693-M718 WeakPolarHBondContact CA-O 3.48Å; Q693-M718 HydrophobicContact CB-CE 3.96Å; Q693-M718 HydrophobicContact CB-SD 4.13Å; Q693-M718 HydrophobicContact CG-CB 4.31Å; Q693-M718 HydrophobicContact CG-CE 3.59Å; Q693-M718 HydrophobicContact CG-SD 4.29Å; Q693-M718 VanDerWaalsContact OE1-CE 3.3Å; I694-M718 PolarHBondContact N-O 3.09Å; K695-M718 HydrophobicContact CG-SD 4.17Å; M718-E720 HydrophobicContact SD-CB 4.32Å; M718-S742 CarbonylContact C-O 3.49Å; M718-S742 WeakPolarHBondContact CA-O 3.21Å
719L91Very high87.3Confident3 Ų336.5 Ų36.52%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-123.6128.4177.7-54.7173.7000108I694 L704 L717 L724 I732 S742 I743 H744I694-L719 HydrophobicContact CB-CD2 3.77Å; I694-L719 HydrophobicContact CD1-CD2 3.74Å; I694-L719 HydrophobicContact CG1-CD2 4.04Å; I694-L719 HydrophobicContact CG2-CD2 4.46Å; I694-L719 CarbonylContact O-C 3.58Å; I694-L719 WeakPolarHBondContact O-CA 3.26Å; L704-L719 HydrophobicContact CD2-CD1 4.33Å; L704-L719 HydrophobicContact CD2-CD2 4.24Å; L717-L719 HydrophobicContact CD1-CD2 3.99Å; L717-L719 HydrophobicContact CD1-CG 4.48Å; L717-L719 HydrophobicContact CD2-CD1 4.32Å; L717-L719 HydrophobicContact CD2-CG 4.47Å; L717-L719 HydrophobicContact CG-CD2 4.26Å; L717-L719 HydrophobicContact CG-CG 4.22Å; L719-L724 HydrophobicContact CD1-CD1 3.66Å; L719-L724 HydrophobicContact CD1-CD2 4.09Å; L719-L724 HydrophobicContact CD1-CG 4.44Å; L719-I732 HydrophobicContact CD1-CD1 3.68Å; L719-S742 PolarHBondContact N-O 3.43Å; L719-I743 HydrophobicContact CB-CG1 4.44Å; L719-I743 HydrophobicContact CD1-CD1 4.48Å; L719-I743 HydrophobicContact CD1-CG1 4.3Å; L719-I743 CarbonylContact O-C 3.53Å; L719-I743 WeakPolarHBondContact O-CA 3.32Å; L719-H744 PolarHBondContact O-N 3.14Å
720E88.5Confident87.6Confident16 Ų1635.8 Ų35.88%0.07519%0.185CC..EExtended strand (participates in β ladder)trans-134.8127.5178.2-178.1-170.9152.700109.5I694 K695 R696 M718 S722 H744I694-E720 PolarHBondContact O-N 2.85Å; K695-E720 CarbonylContact C-O 3.52Å; K695-E720 WeakPolarHBondContact CA-O 3.4Å; K695-E720 HydrophobicContact CB-CB 4.47Å; K695-E720 WeakPolarHBondContact CD-OE2 3.45Å; K695-E720 WeakPolarHBondContact CE-OE2 3.15Å; K695-E720 HydrophobicContact CG-CB 4.12Å; K695-E720 IonicContact NZ-OE2 2.61Å; K695-E720 PolarHBondContact NZ-OE2 3.43Å; R696-E720 PolarHBondContact N-O 3.3Å; M718-E720 HydrophobicContact SD-CB 4.32Å; E720-S722 PolarHBondContact O-N 3Å; E720-S722 PolarHBondContact O-OG 2.78Å; E720-H744 WeakPolarHBondContact CA-O 3.35Å; E720-H744 HydrophobicContact CB-CB 4.22Å; E720-H744 HydrophobicContact CG-CB 4.06Å
721A85.9Confident88Confident33 Ų3336.8 Ų36.827%0.27319%0.186SC..SBendtrans47.636.6174.800000113.4R696 H744 D745R696-A721 WeakPolarHBondContact CA-O 3.48Å; R696-A721 HydrophobicContact CG-CB 4.07Å; A721-H744 PolarHBondContact N-O 3.26Å; A721-D745 HydrophobicContact CB-CB 4.03Å
722S86.9Confident88.5Confident3 Ų336.2 Ų36.22%0.02118%0.182CC..  trans-124.7121.3-175.1-58.70000109.3R696 C697 E720 L746R696-S722 PolarHBondContact N-OG 3.15Å; R696-S722 VanDerWaalsContact N-OG 3.14Å; C697-S722 PolarHBondContact N-OG 2.8Å; E720-S722 PolarHBondContact O-N 3Å; E720-S722 PolarHBondContact O-OG 2.78Å; S722-L746 WeakPolarHBondContact O-CD1 3.43Å
723P86.1Confident89.1Confident42 Ų4228 Ų2827%0.27315%0.146SC..  trans-67144.3-178.428.3-33.9000111.2A698 A701A698-P723 HydrophobicContact CB-CG 4.39Å; A701-P723 HydrophobicContact CB-CG 4.33Å
724L87.9Confident89.5Confident9 Ų927.4 Ų27.45%0.04715%0.148CC..  trans-123.8145.2177.6-58.4174.2000109.8L704 L719 D728 E729 I732 L746L704-L724 HydrophobicContact CD2-CD2 3.72Å; L719-L724 HydrophobicContact CD1-CD1 3.66Å; L719-L724 HydrophobicContact CD1-CD2 4.09Å; L719-L724 HydrophobicContact CD1-CG 4.44Å; L724-D728 HydrophobicContact CB-CB 4.38Å; L724-D728 HydrophobicContact CD2-CB 4.29Å; L724-E729 HydrophobicContact CB-CG 4.26Å; L724-E729 HydrophobicContact CD1-CG 4.35Å; L724-I732 HydrophobicContact CD1-CD1 4.17Å; L724-L746 HydrophobicContact CD1-CD1 4.35Å; L724-L746 HydrophobicContact CD1-CD2 3.97Å; L724-L746 HydrophobicContact CG-CD1 4.22Å
725T88.7Confident89.5Confident47 Ų4728.5 Ų28.529%0.28816%0.155SC..  trans-90.1165.716766.10000110.7A701 E727 D728 E729A701-T725 HydrophobicContact CB-CG2 4.16Å; T725-E727 PolarHBondContact O-N 2.86Å; T725-D728 WeakPolarHBondContact CB-OD2 3.19Å; T725-D728 PolarHBondContact N-OD2 2.76Å; T725-D728 WeakPolarHBondContact O-CB 3.25Å; T725-D728 PolarHBondContact O-N 3.34Å; T725-D728 VanDerWaalsContact O-N 3.14Å; T725-D728 PolarHBondContact OG1-N 3.16Å; T725-D728 PolarHBondContact OG1-OD2 2.84Å; T725-E729 PolarHBondContact O-N 2.98Å; T725-E729 VanDerWaalsContact O-N 3.14Å
726I87.3Confident89.3Confident49 Ų4930.1 Ų30.125%0.25117%0.169SC..Hα-helixtrans-59.3-35.7175.3-167.458.9000112.5E729 Q730 L751I726-E729 PolarHBondContact O-N 3.35Å; I726-Q730 WeakPolarHBondContact O-CB 3.35Å; I726-Q730 VanDerWaalsContact O-CG 3.29Å; I726-Q730 WeakPolarHBondContact O-CG 3.5Å; I726-Q730 PolarHBondContact O-N 3.22Å; I726-L751 HydrophobicContact CD1-CB 4.03Å
727E88.1Confident89Confident122 Ų12234.7 Ų34.757%0.5719%0.193SC*.Hα-helixtrans-65.8-40176.7-66.4-175.4-178.700111.5T725 Q730 H731T725-E727 PolarHBondContact O-N 2.86Å; E727-Q730 PolarHBondContact O-N 3.01Å; E727-H731 PolarHBondContact O-N 3.02Å
728D90.3Very high88.9Confident0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-62.9-45.4176.9-59.9-46.6000110.9G702 L704 S705 L724 T725 Q730 H731 I732G702-D728 PolarHBondContact N-OD2 2.84Å; L704-D728 HydrophobicContact CB-CB 4.01Å; L704-D728 WeakPolarHBondContact CB-OD1 3.27Å; L704-D728 HydrophobicContact CD2-CB 4.3Å; L704-D728 PolarHBondContact N-OD1 3.08Å; S705-D728 PolarHBondContact N-OD1 2.81Å; L724-D728 HydrophobicContact CB-CB 4.38Å; L724-D728 HydrophobicContact CD2-CB 4.29Å; T725-D728 WeakPolarHBondContact CB-OD2 3.19Å; T725-D728 PolarHBondContact N-OD2 2.76Å; T725-D728 WeakPolarHBondContact O-CB 3.25Å; T725-D728 PolarHBondContact O-N 3.34Å; T725-D728 VanDerWaalsContact O-N 3.14Å; T725-D728 PolarHBondContact OG1-N 3.16Å; T725-D728 PolarHBondContact OG1-OD2 2.84Å; D728-Q730 PolarHBondContact O-N 3.28Å; D728-H731 PolarHBondContact O-N 3.3Å; D728-I732 VanDerWaalsContact O-CG1 3.29Å; D728-I732 WeakPolarHBondContact O-CG1 3.46Å; D728-I732 PolarHBondContact O-N 2.91Å
729E89.6Confident89Confident6 Ų640.1 Ų40.13%0.02822%0.217CC..Hα-helixtrans-62.2-42.7177.2-69.5177.3-142.800112.6L724 T725 I726 H731 I732 T733 R750 G754 L755L724-E729 HydrophobicContact CB-CG 4.26Å; L724-E729 HydrophobicContact CD1-CG 4.35Å; T725-E729 PolarHBondContact O-N 2.98Å; T725-E729 VanDerWaalsContact O-N 3.14Å; I726-E729 PolarHBondContact O-N 3.35Å; E729-H731 VanDerWaalsContact C-N 3.29Å; E729-H731 PolarHBondContact O-N 3.38Å; E729-I732 PolarHBondContact O-N 3.03Å; E729-T733 PolarHBondContact O-N 3.05Å; E729-T733 VanDerWaalsContact O-N 3.11Å; E729-T733 PolarHBondContact O-OG1 2.71Å; E729-R750 IonicContact OE1-CZ 3.47Å; E729-R750 IonicContact OE1-NH1 2.93Å; E729-R750 PolarHBondContact OE1-NH1 3.41Å; E729-R750 IonicContact OE1-NH2 3.82Å; E729-R750 IonicContact OE2-NH1 3.05Å; E729-R750 PolarHBondContact OE2-NH1 3.41Å; E729-G754 WeakPolarHBondContact OE2-CA 3.41Å; E729-L755 HydrophobicContact CB-CB 4.12Å; E729-L755 HydrophobicContact CG-CB 4.12Å; E729-L755 WeakPolarHBondContact OE2-CB 3.17Å; E729-L755 PolarHBondContact OE2-N 3.38Å
730Q89.9Confident89.1Confident60 Ų6040.7 Ų40.728%0.2822%0.22SC..Hα-helixtrans-63.7-36.5174.6-741797.200111.9I726 E727 D728 T733 S734 G753I726-Q730 WeakPolarHBondContact O-CB 3.35Å; I726-Q730 VanDerWaalsContact O-CG 3.29Å; I726-Q730 WeakPolarHBondContact O-CG 3.5Å; I726-Q730 PolarHBondContact O-N 3.22Å; E727-Q730 PolarHBondContact O-N 3.01Å; D728-Q730 PolarHBondContact O-N 3.28Å; Q730-T733 PolarHBondContact O-OG1 3.4Å; Q730-S734 PolarHBondContact O-N 2.8Å; Q730-G753 WeakPolarHBondContact CG-O 3.44Å; Q730-G753 PolarHBondContact NE2-O 3.18Å
731H90.1Very high89.3Confident73 Ų7339.9 Ų39.934%0.33822%0.217SC..Hα-helixtrans-71.9-40.9175.7-115.833.5000112.4S705 E727 D728 E729 T733 S734 V735S705-H731 VanDerWaalsContact CA-CD2 3.45Å; S705-H731 WeakPolarHBondContact CA-CD2 2.92Å; S705-H731 PolarHBondContact O-CD2 2.86Å; S705-H731 VanDerWaalsContact O-CD2 3.26Å; E727-H731 PolarHBondContact O-N 3.02Å; D728-H731 PolarHBondContact O-N 3.3Å; E729-H731 VanDerWaalsContact C-N 3.29Å; E729-H731 PolarHBondContact O-N 3.38Å; H731-T733 VanDerWaalsContact C-N 3.26Å; H731-T733 PolarHBondContact O-N 3.3Å; H731-S734 WeakPolarHBondContact O-CA 3.38Å; H731-S734 WeakPolarHBondContact O-CB 3.4Å; H731-S734 PolarHBondContact O-N 2.88Å; H731-S734 PolarHBondContact O-OG 2.78Å; H731-V735 WeakPolarHBondContact O-CG2 3.41Å; H731-V735 PolarHBondContact O-N 2.84Å
732I90.8Very high89.7Confident1 Ų138.4 Ų38.41%0.00521%0.205CC..Hα-helixtrans-52.9-48.6173.6-69.2164.1000110L704 L708 L717 L719 L724 D728 E729 S734 V735 L741 L755L704-I732 HydrophobicContact CD2-CD1 3.84Å; L704-I732 HydrophobicContact CD2-CG1 4.1Å; L708-I732 HydrophobicContact CD1-CG1 3.85Å; L717-I732 HydrophobicContact CD2-CD1 4.25Å; L717-I732 HydrophobicContact CD2-CG1 3.87Å; L717-I732 HydrophobicContact CD2-CG2 4.16Å; L719-I732 HydrophobicContact CD1-CD1 3.68Å; L724-I732 HydrophobicContact CD1-CD1 4.17Å; D728-I732 VanDerWaalsContact O-CG1 3.29Å; D728-I732 WeakPolarHBondContact O-CG1 3.46Å; D728-I732 PolarHBondContact O-N 2.91Å; E729-I732 PolarHBondContact O-N 3.03Å; I732-S734 PolarHBondContact O-N 3.42Å; I732-V735 PolarHBondContact O-N 2.83Å; I732-V735 VanDerWaalsContact O-N 3.17Å; I732-L741 HydrophobicContact CG2-CD1 4.06Å; I732-L741 HydrophobicContact CG2-CD2 4.29Å; I732-L755 HydrophobicContact CG2-CD1 4.11Å
733T89.6Confident89.9Confident2 Ų238.3 Ų38.31%0.01220%0.204CC..Hα-helixtrans-70.3-12.8-18055.90000114.1E729 Q730 H731 L755 R758 N761E729-T733 PolarHBondContact O-N 3.05Å; E729-T733 VanDerWaalsContact O-N 3.11Å; E729-T733 PolarHBondContact O-OG1 2.71Å; Q730-T733 PolarHBondContact O-OG1 3.4Å; H731-T733 VanDerWaalsContact C-N 3.26Å; H731-T733 PolarHBondContact O-N 3.3Å; T733-L755 HydrophobicContact CG2-CD1 3.79Å; T733-R758 HydrophobicContact CG2-CB 3.92Å; T733-R758 WeakPolarHBondContact OG1-CB 3.37Å; T733-N761 WeakPolarHBondContact O-CB 3.26Å
734S89.3Confident90Very high63 Ų6336.9 Ų36.944%0.44119%0.193SC..Hα-helixtrans-83.9-15.3173.378.80000113.8Q730 H731 I732 T736Q730-S734 PolarHBondContact O-N 2.8Å; H731-S734 WeakPolarHBondContact O-CA 3.38Å; H731-S734 WeakPolarHBondContact O-CB 3.4Å; H731-S734 PolarHBondContact O-N 2.88Å; H731-S734 PolarHBondContact O-OG 2.78Å; I732-S734 PolarHBondContact O-N 3.42Å; S734-T736 PolarHBondContact O-N 2.89Å
735V89.3Confident89.8Confident26 Ų2638.7 Ų38.716%0.15820%0.203CC..  trans-81.278.6-178.9-173.90000110.6L708 I714 H731 I732 N737 L738 L762L708-V735 HydrophobicContact CD1-CG2 4.45Å; I714-V735 HydrophobicContact CG2-CG1 3.47Å; I714-V735 VanDerWaalsContact CG2-CG1 3.47Å; H731-V735 WeakPolarHBondContact O-CG2 3.41Å; H731-V735 PolarHBondContact O-N 2.84Å; I732-V735 PolarHBondContact O-N 2.83Å; I732-V735 VanDerWaalsContact O-N 3.17Å; V735-N737 PolarHBondContact O-N 3.32Å; V735-N737 VanDerWaalsContact O-N 3.12Å; V735-L738 HydrophobicContact CG1-CB 4.45Å; V735-L738 WeakPolarHBondContact O-CB 3.41Å; V735-L738 PolarHBondContact O-N 2.96Å; V735-L738 VanDerWaalsContact O-N 3.17Å; V735-L762 VanDerWaalsContact O-CD2 3.28Å; V735-L762 WeakPolarHBondContact O-CD2 3.44Å
736T86.6Confident89.6Confident73 Ų7336.7 Ų36.745%0.44819%0.191SC..THydrogen-bonded Turntrans-66.3-15.8-172.556.60000115.1S734 L738 N764S734-T736 PolarHBondContact O-N 2.89Å; T736-L738 VanDerWaalsContact C-N 3.27Å; T736-L738 PolarHBondContact O-N 3.25Å; T736-N764 WeakPolarHBondContact O-CB 3.47Å; T736-N764 PolarHBondContact O-ND2 3.07Å
737N87.9Confident89.2Confident98 Ų9839.2 Ų39.252%0.52420%0.201SC..THydrogen-bonded Turntrans-79.8-5.5176.9-69.3-23.9000113.7V735 K739V735-N737 PolarHBondContact O-N 3.32Å; V735-N737 VanDerWaalsContact O-N 3.12Å; N737-K739 PolarHBondContact O-N 2.93Å
738L91.6Very high88.8Confident2 Ų237.1 Ų37.11%0.0119%0.194CC..  trans-66.4126.9-176.2-158.872.4000111.6I714 L717 V735 T736 L741 L762 N764 L765I714-L738 HydrophobicContact CG1-CD1 4.28Å; L717-L738 HydrophobicContact CB-CD1 3.97Å; L717-L738 HydrophobicContact CB-CD2 4.35Å; V735-L738 HydrophobicContact CG1-CB 4.45Å; V735-L738 WeakPolarHBondContact O-CB 3.41Å; V735-L738 PolarHBondContact O-N 2.96Å; V735-L738 VanDerWaalsContact O-N 3.17Å; T736-L738 VanDerWaalsContact C-N 3.27Å; T736-L738 PolarHBondContact O-N 3.25Å; L738-L741 HydrophobicContact CD2-CB 3.86Å; L738-L741 HydrophobicContact CD2-CD1 4.02Å; L738-L741 HydrophobicContact CD2-CG 4.37Å; L738-L762 HydrophobicContact CB-CD2 4.47Å; L738-L762 HydrophobicContact CD2-CD1 4.33Å; L738-N764 CarbonylContact O-C 3.54Å; L738-N764 VanDerWaalsContact O-C 3.31Å; L738-L765 HydrophobicContact CD2-CD1 4.37Å; L738-L765 HydrophobicContact CG-CD1 4.39Å; L738-L765 PolarHBondContact O-N 3.44Å
739K93.1Very high88Confident114 Ų11443.8 Ų43.850%0.49623%0.225SC..  trans-101.6-27.9176.5-67.5-172.8178-178.40112.9Y715 N737 T766 K767Y715-K739 WeakPolarHBondContact O-CA 3.23Å; Y715-K739 PolarHBondContact O-N 3.17Å; N737-K739 PolarHBondContact O-N 2.93Å; K739-T766 PolarHBondContact O-N 3.25Å; K739-T766 PolarHBondContact O-OG1 3.21Å; K739-K767 PolarHBondContact O-N 3.31Å; K739-K767 VanDerWaalsContact O-N 3.07Å
740T92.7Very high87.6Confident15 Ų1544 Ų449%0.09223%0.226CC..EExtended strand (participates in β ladder)trans-135.6128.3-179.2-59.40000110.5L534 V537 Y715 S716 L717 K767L534-T740 HydrophobicContact CD2-CG2 3.98Å; V537-T740 HydrophobicContact CG1-CG2 3.86Å; Y715-T740 PolarHBondContact O-N 3.45Å; Y715-T740 VanDerWaalsContact O-N 3.08Å; S716-T740 WeakPolarHBondContact CA-O 3.49Å; S716-T740 WeakPolarHBondContact OG-CB 3.24Å; L717-T740 PolarHBondContact N-O 3.2Å; T740-K767 WeakPolarHBondContact CA-O 3.48Å; T740-K767 HydrophobicContact CG2-CB 4.07Å
741L94.6Very high86.8Confident0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-128.6123.8174.7-18061.1000108.8L717 I732 L738 I743 L755 L759 L762 L765 K767 L768 I769L717-L741 HydrophobicContact CB-CD1 4.23Å; L717-L741 HydrophobicContact CD2-CD1 4.15Å; L717-L741 HydrophobicContact CG-CD1 4.34Å; L717-L741 WeakPolarHBondContact O-CA 3.23Å; I732-L741 HydrophobicContact CG2-CD1 4.06Å; I732-L741 HydrophobicContact CG2-CD2 4.29Å; L738-L741 HydrophobicContact CD2-CB 3.86Å; L738-L741 HydrophobicContact CD2-CD1 4.02Å; L738-L741 HydrophobicContact CD2-CG 4.37Å; L741-I743 HydrophobicContact CD1-CD1 4.15Å; L741-I743 HydrophobicContact CD1-CG1 4.09Å; L741-I743 HydrophobicContact CD2-CD1 4.34Å; L741-I743 HydrophobicContact CG-CD1 4.27Å; L741-I743 HydrophobicContact CG-CG1 4.28Å; L741-L755 HydrophobicContact CD2-CD1 4.22Å; L741-L759 HydrophobicContact CD2-CD1 4.12Å; L741-L762 HydrophobicContact CD2-CD1 3.96Å; L741-L765 HydrophobicContact CB-CD1 3.81Å; L741-L765 HydrophobicContact CB-CD2 4.4Å; L741-K767 PolarHBondContact N-O 3.37Å; L741-L768 HydrophobicContact CB-CD1 4.13Å; L741-L768 HydrophobicContact CD2-CD1 4.09Å; L741-L768 HydrophobicContact CG-CD1 4.21Å; L741-L768 WeakPolarHBondContact O-CA 3.48Å; L741-I769 PolarHBondContact O-N 3.39Å
742S92.4Very high85.9Confident2 Ų247.3 Ų47.31%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-127.6125.6178.8-148.80000109.3L717 M718 L719 H744 I769L717-S742 PolarHBondContact O-N 3.32Å; M718-S742 CarbonylContact C-O 3.49Å; M718-S742 WeakPolarHBondContact CA-O 3.21Å; L719-S742 PolarHBondContact N-O 3.43Å; S742-H744 PolarHBondContact OG-NE2 3.09Å; S742-I769 CarbonylContact C-O 3.59Å; S742-I769 WeakPolarHBondContact CA-O 3.25Å; S742-I769 WeakPolarHBondContact OG-CB 3.47Å
743I91.3Very high85.1Confident1 Ų148 Ų481%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-133.4124.9179.5-57.1177.6000108.6L719 L741 L746 L755 I769 M770 D771 I773L719-I743 HydrophobicContact CB-CG1 4.44Å; L719-I743 HydrophobicContact CD1-CD1 4.48Å; L719-I743 HydrophobicContact CD1-CG1 4.3Å; L719-I743 CarbonylContact O-C 3.53Å; L719-I743 WeakPolarHBondContact O-CA 3.32Å; L741-I743 HydrophobicContact CD1-CD1 4.15Å; L741-I743 HydrophobicContact CD1-CG1 4.09Å; L741-I743 HydrophobicContact CD2-CD1 4.34Å; L741-I743 HydrophobicContact CG-CD1 4.27Å; L741-I743 HydrophobicContact CG-CG1 4.28Å; I743-L746 HydrophobicContact CG2-CB 4.12Å; I743-L746 HydrophobicContact CG2-CD2 4.04Å; I743-L755 HydrophobicContact CD1-CD1 4.43Å; I743-L755 HydrophobicContact CD1-CD2 3.23Å; I743-L755 HydrophobicContact CD1-CG 4.46Å; I743-I769 PolarHBondContact N-O 3.25Å; I743-M770 CarbonylContact O-C 3.56Å; I743-M770 WeakPolarHBondContact O-CA 3.26Å; I743-D771 PolarHBondContact O-N 2.75Å; I743-I773 HydrophobicContact CB-CD1 3.88Å; I743-I773 HydrophobicContact CG2-CD1 3.72Å; I743-I773 HydrophobicContact CG2-CG1 4.39Å
744H88.6Confident84.8Confident11 Ų1148 Ų485%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-127.9143.1-176.9-54.4-98.2000110.5E532 L719 E720 A721 S742 L746 D771E532-H744 IonicContact OE2-CE1 2.61Å; L719-H744 PolarHBondContact O-N 3.14Å; E720-H744 WeakPolarHBondContact CA-O 3.35Å; E720-H744 HydrophobicContact CB-CB 4.22Å; E720-H744 HydrophobicContact CG-CB 4.06Å; A721-H744 PolarHBondContact N-O 3.26Å; S742-H744 PolarHBondContact OG-NE2 3.09Å; H744-L746 PolarHBondContact O-N 2.97Å; H744-D771 CarbonylContact C-O 3.59Å; H744-D771 VanDerWaalsContact CA-O 3.26Å; H744-D771 WeakPolarHBondContact CA-O 3.41Å; H744-D771 HydrophobicContact CB-CB 4.38Å; H744-D771 WeakPolarHBondContact ND1-CB 3.1Å; H744-D771 IonicContact ND1-OD2 3.68Å; H744-D771 PolarHBondContact ND1-OD2 3.09Å
745D84.2Confident84.7Confident47 Ų4745.1 Ų45.125%0.25124%0.24SC..EExtended strand (participates in β ladder)trans55.650.3170.1-62.8-41.1000113.8A721 D771 N772A721-D745 HydrophobicContact CB-CB 4.03Å; D745-D771 PolarHBondContact N-O 2.61Å; D745-N772 WeakPolarHBondContact CA-O 3.37Å; D745-N772 WeakPolarHBondContact OD1-CB 3.46Å; D745-N772 PolarHBondContact OD1-ND2 3.41Å
746L83.9Confident84.6Confident6 Ų644 Ų443%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-102.797.7179.3-169.565.2000110.8S722 L724 I743 H744 R750 N772 I773 K774S722-L746 WeakPolarHBondContact O-CD1 3.43Å; L724-L746 HydrophobicContact CD1-CD1 4.35Å; L724-L746 HydrophobicContact CD1-CD2 3.97Å; L724-L746 HydrophobicContact CG-CD1 4.22Å; I743-L746 HydrophobicContact CG2-CB 4.12Å; I743-L746 HydrophobicContact CG2-CD2 4.04Å; H744-L746 PolarHBondContact O-N 2.97Å; L746-R750 VanDerWaalsContact CD2-CZ 3.42Å; L746-N772 PolarHBondContact N-O 3.22Å; L746-I773 HydrophobicContact CB-CG2 4.32Å; L746-K774 PolarHBondContact O-N 2.96Å
747Q80.2Confident84.6Confident101 Ų10143 Ų4347%0.47223%0.225SC..  trans-92-5.9-167.9-60.1-59.4-42.200114.9N772 K774Q747-N772 PolarHBondContact NE2-ND2 3.47Å; Q747-N772 PolarHBondContact NE2-O 3.22Å; Q747-N772 VanDerWaalsContact NE2-O 3.11Å; Q747-N772 PolarHBondContact NE2-OD1 2.9Å; Q747-K774 WeakPolarHBondContact O-CD 3.4Å
748N78.4Confident84.7Confident78 Ų7843.3 Ų43.342%0.41722%0.219SC..SBendtrans-73.6139.6174.6-66.6-11.5000109.8R750N748-R750 PolarHBondContact O-NE 2.92Å; N748-R750 PolarHBondContact O-NH2 3.38Å
749Q73.9Confident84.7Confident140 Ų14043.2 Ų43.265%0.65422%0.218SC*.PPolyproline II helixtrans-58.6140.6170.7-82.7-178.5-18.900110.4K774Q749-K774 HydrophobicContact CG-CD 4.21Å
750R81.4Confident84.5Confident12 Ų1238.1 Ų38.15%0.04520%0.199CC..PPolyproline II helixtrans-70.8136.3173.7-50.7-63.181.4-146.9-3.8108.1E729 L746 N748 T756 M775 D779E729-R750 IonicContact OE1-CZ 3.47Å; E729-R750 IonicContact OE1-NH1 2.93Å; E729-R750 PolarHBondContact OE1-NH1 3.41Å; E729-R750 IonicContact OE1-NH2 3.82Å; E729-R750 IonicContact OE2-NH1 3.05Å; E729-R750 PolarHBondContact OE2-NH1 3.41Å; L746-R750 VanDerWaalsContact CD2-CZ 3.42Å; N748-R750 PolarHBondContact O-NE 2.92Å; N748-R750 PolarHBondContact O-NH2 3.38Å; R750-T756 HydrophobicContact CG-CG2 4.47Å; R750-M775 HydrophobicContact CG-CG 4.07Å; R750-D779 HydrophobicContact CG-CB 4.45Å
751L73Confident84.5Confident99 Ų9941.2 Ų41.252%0.51822%0.215SC..PPolyproline II helixtrans-103.3150.1177.2-64.8171.9000109.3I726 G753 G754I726-L751 HydrophobicContact CD1-CB 4.03Å; L751-G753 PolarHBondContact O-N 2.87Å; L751-G754 PolarHBondContact O-N 3.44Å; L751-G754 VanDerWaalsContact O-N 3.1Å
752P70.3Confident84.4Confident102 Ų10241.2 Ų41.266%0.66222%0.215SC*.THydrogen-bonded Turntrans-53.4136.2174.6-25.533.9000112.1
753G74.8Confident84.4Confident17 Ų1747.6 Ų47.618%0.17524%0.242CC..THydrogen-bonded Turntrans82.511-175.100000114.8Q730 L751 D757Q730-G753 WeakPolarHBondContact CG-O 3.44Å; Q730-G753 PolarHBondContact NE2-O 3.18Å; L751-G753 PolarHBondContact O-N 2.87Å; G753-D757 PolarHBondContact N-OD2 3.17Å
754G83.8Confident84.5Confident0 Ų050 Ų500%026%0.255CS..SBendtrans-87.6-152.5-179.200000114.7E729 L751 T756 D757 R758E729-G754 WeakPolarHBondContact OE2-CA 3.41Å; L751-G754 PolarHBondContact O-N 3.44Å; L751-G754 VanDerWaalsContact O-N 3.1Å; G754-T756 PolarHBondContact O-N 3.31Å; G754-D757 PolarHBondContact O-N 3.33Å; G754-R758 PolarHBondContact O-N 2.91Å
755L86.5Confident84.7Confident4 Ų449.4 Ų49.42%0.02125%0.252CS..Hα-helixtrans-61.2-46.8-172.2179.571.7000112.6E729 I732 T733 L741 I743 D757 R758 L759 M770E729-L755 HydrophobicContact CB-CB 4.12Å; E729-L755 HydrophobicContact CG-CB 4.12Å; E729-L755 WeakPolarHBondContact OE2-CB 3.17Å; E729-L755 PolarHBondContact OE2-N 3.38Å; I732-L755 HydrophobicContact CG2-CD1 4.11Å; T733-L755 HydrophobicContact CG2-CD1 3.79Å; L741-L755 HydrophobicContact CD2-CD1 4.22Å; I743-L755 HydrophobicContact CD1-CD1 4.43Å; I743-L755 HydrophobicContact CD1-CD2 3.23Å; I743-L755 HydrophobicContact CD1-CG 4.46Å; L755-D757 VanDerWaalsContact C-N 3.35Å; L755-D757 PolarHBondContact O-N 3.48Å; L755-R758 PolarHBondContact O-N 3.13Å; L755-L759 HydrophobicContact CD1-CD1 4.37Å; L755-L759 WeakPolarHBondContact O-CB 3.07Å; L755-L759 PolarHBondContact O-N 2.79Å; L755-M770 HydrophobicContact CD2-CE 4.02Å
756T86.8Confident85.2Confident1 Ų149 Ų491%0.00625%0.252CS..Hα-helixtrans-63.5-40.6-17743.30000111.7R750 G754 R758 M775 D779 L783R750-T756 HydrophobicContact CG-CG2 4.47Å; G754-T756 PolarHBondContact O-N 3.31Å; T756-R758 VanDerWaalsContact C-N 3.32Å; T756-R758 PolarHBondContact O-N 3.18Å; T756-M775 HydrophobicContact CG2-CE 3.84Å; T756-M775 HydrophobicContact CG2-SD 4.31Å; T756-D779 HydrophobicContact CG2-CB 4.38Å; T756-L783 HydrophobicContact CG2-CB 4.32Å
757D87.3Confident85.7Confident52 Ų5250.5 Ų50.528%0.27826%0.258SS..Hα-helixtrans-70.9-28.1-176-62.219.7000112.7G753 G754 L755 K782G753-D757 PolarHBondContact N-OD2 3.17Å; G754-D757 PolarHBondContact O-N 3.33Å; L755-D757 VanDerWaalsContact C-N 3.35Å; L755-D757 PolarHBondContact O-N 3.48Å; D757-K782 VanDerWaalsContact CG-CD 3.47Å; D757-K782 WeakPolarHBondContact OD1-CD 3.47Å; D757-K782 IonicContact OD2-NZ 3.83Å
758R89.8Confident86.3Confident105 Ų10545.7 Ų45.740%0.39624%0.235SC..Hα-helixtrans-117.46.3-171.7-65.7-175.2179.1-167.84.2113.8T733 G754 L755 T756 G760 N761T733-R758 HydrophobicContact CG2-CB 3.92Å; T733-R758 WeakPolarHBondContact OG1-CB 3.37Å; G754-R758 PolarHBondContact O-N 2.91Å; L755-R758 PolarHBondContact O-N 3.13Å; T756-R758 VanDerWaalsContact C-N 3.32Å; T756-R758 PolarHBondContact O-N 3.18Å; R758-G760 PolarHBondContact O-N 2.68Å; R758-G760 VanDerWaalsContact O-N 3.13Å; R758-N761 VanDerWaalsContact O-CB 3.31Å; R758-N761 WeakPolarHBondContact O-CB 3.45Å; R758-N761 PolarHBondContact O-N 2.65Å; R758-N761 PolarHBondContact O-ND2 3.01Å
759L91.3Very high87Confident0 Ų042 Ų420%022%0.216CC..G310 helixtrans-56.4-34.3-177.1-169.775.3000112.5L741 L755 N761 L762 L768 M770 L783 L787 L790L741-L759 HydrophobicContact CD2-CD1 4.12Å; L755-L759 HydrophobicContact CD1-CD1 4.37Å; L755-L759 WeakPolarHBondContact O-CB 3.07Å; L755-L759 PolarHBondContact O-N 2.79Å; L759-N761 PolarHBondContact O-N 3.1Å; L759-L762 HydrophobicContact CD1-CD1 4.06Å; L759-L762 WeakPolarHBondContact O-CB 3.34Å; L759-L762 PolarHBondContact O-N 3.42Å; L759-L768 HydrophobicContact CD2-CD2 3.58Å; L759-M770 HydrophobicContact CD1-CE 4.42Å; L759-M770 HydrophobicContact CD2-CE 4.45Å; L759-L783 HydrophobicContact CD2-CD1 3.31Å; L759-L787 HydrophobicContact CD2-CD2 4.29Å; L759-L790 HydrophobicContact CD2-CD1 4Å; L759-L790 HydrophobicContact CG-CD1 4.13Å
760G90.2Very high87.8Confident8 Ų835.4 Ų35.48%0.08219%0.185CC..G310 helixtrans-59.8-13.2178.600000115.3R758 L762 G786R758-G760 PolarHBondContact O-N 2.68Å; R758-G760 VanDerWaalsContact O-N 3.13Å; G760-L762 VanDerWaalsContact C-N 3.26Å; G760-L762 PolarHBondContact O-N 3.28Å; G760-G786 WeakPolarHBondContact CA-O 3.38Å
761N92.1Very high88.2Confident80 Ų8035.8 Ų35.843%0.42819%0.188SC..G310 helixtrans-68.7-24.8173-68.1-21.6000112.7T733 R758 L759 K763T733-N761 WeakPolarHBondContact O-CB 3.26Å; R758-N761 VanDerWaalsContact O-CB 3.31Å; R758-N761 WeakPolarHBondContact O-CB 3.45Å; R758-N761 PolarHBondContact O-N 2.65Å; R758-N761 PolarHBondContact O-ND2 3.01Å; L759-N761 PolarHBondContact O-N 3.1Å; N761-K763 PolarHBondContact O-N 2.85Å
762L92.7Very high88.9Confident0 Ų033.8 Ų33.80%018%0.178CC..  trans-81.954.1-176.5-59.1-179.2000112.4V735 L738 L741 L759 G760 N764 L765 L790V735-L762 VanDerWaalsContact O-CD2 3.28Å; V735-L762 WeakPolarHBondContact O-CD2 3.44Å; L738-L762 HydrophobicContact CB-CD2 4.47Å; L738-L762 HydrophobicContact CD2-CD1 4.33Å; L741-L762 HydrophobicContact CD2-CD1 3.96Å; L759-L762 HydrophobicContact CD1-CD1 4.06Å; L759-L762 WeakPolarHBondContact O-CB 3.34Å; L759-L762 PolarHBondContact O-N 3.42Å; G760-L762 VanDerWaalsContact C-N 3.26Å; G760-L762 PolarHBondContact O-N 3.28Å; L762-N764 PolarHBondContact O-N 3.35Å; L762-L765 HydrophobicContact CB-CB 4.2Å; L762-L765 WeakPolarHBondContact O-CB 3.33Å; L762-L765 PolarHBondContact O-N 3.33Å; L762-L790 HydrophobicContact CB-CD2 4.41Å; L762-L790 WeakPolarHBondContact O-CD2 3.29Å
763K91.8Very high89.7Confident135 Ų13529.2 Ų29.259%0.58715%0.148SC*.THydrogen-bonded Turntrans-59.4-16.8-172.3-60.1-177.5-178.6-177.10115.4N761N761-K763 PolarHBondContact O-N 2.85Å
764N92.9Very high90.3Very high51 Ų5132.8 Ų32.827%0.27316%0.158SC..THydrogen-bonded Turntrans-91.71.6176.8-66.8-46.9000113.9T736 L738 L762 T766 K792T736-N764 WeakPolarHBondContact O-CB 3.47Å; T736-N764 PolarHBondContact O-ND2 3.07Å; L738-N764 CarbonylContact O-C 3.54Å; L738-N764 VanDerWaalsContact O-C 3.31Å; L762-N764 PolarHBondContact O-N 3.35Å; N764-T766 PolarHBondContact O-N 2.88Å; N764-K792 PolarHBondContact OD1-NZ 2.82Å
765L94Very high90.5Very high0 Ų033.1 Ų33.10%016%0.16CC..  trans-67.4122-178.7-158.373.1000110.2L738 L741 L762 L768 L790 K792 M793L738-L765 HydrophobicContact CD2-CD1 4.37Å; L738-L765 HydrophobicContact CG-CD1 4.39Å; L738-L765 PolarHBondContact O-N 3.44Å; L741-L765 HydrophobicContact CB-CD1 3.81Å; L741-L765 HydrophobicContact CB-CD2 4.4Å; L762-L765 HydrophobicContact CB-CB 4.2Å; L762-L765 WeakPolarHBondContact O-CB 3.33Å; L762-L765 PolarHBondContact O-N 3.33Å; L765-L768 HydrophobicContact CD2-CB 3.84Å; L765-L768 HydrophobicContact CD2-CD1 4.07Å; L765-L768 HydrophobicContact CD2-CD2 4.33Å; L765-L768 HydrophobicContact CD2-CG 4.32Å; L765-L790 HydrophobicContact CD2-CD1 4.18Å; L765-K792 CarbonylContact O-C 3.6Å; L765-M793 PolarHBondContact O-N 3.4Å
766T94.1Very high90.6Very high39 Ų3936.2 Ų36.224%0.23918%0.177CC..  trans-101.3-25175.758.70000111.7K739 N764 K792 C794 L795K739-T766 PolarHBondContact O-N 3.25Å; K739-T766 PolarHBondContact O-OG1 3.21Å; N764-T766 PolarHBondContact O-N 2.88Å; T766-K792 WeakPolarHBondContact CA-O 3.41Å; T766-C794 PolarHBondContact O-N 2.9Å; T766-L795 PolarHBondContact O-N 3.04Å
767K93.7Very high90.8Very high37 Ų3739.8 Ų39.816%0.16119%0.193CC..EExtended strand (participates in β ladder)trans-140.1126.7-174.9-53-170.6176-1740110.6V537 K739 T740 L741 L795V537-K767 HydrophobicContact CG1-CB 4.17Å; V537-K767 HydrophobicContact CG1-CD 3.4Å; V537-K767 VanDerWaalsContact CG1-CD 3.4Å; V537-K767 HydrophobicContact CG1-CG 4.4Å; V537-K767 PolarHBondContact O-NZ 2.95Å; K739-K767 PolarHBondContact O-N 3.31Å; K739-K767 VanDerWaalsContact O-N 3.07Å; T740-K767 WeakPolarHBondContact CA-O 3.48Å; T740-K767 HydrophobicContact CG2-CB 4.07Å; L741-K767 PolarHBondContact N-O 3.37Å; K767-L795 WeakPolarHBondContact CA-O 3.35Å; K767-L795 HydrophobicContact CB-CB 4.23Å; K767-L795 HydrophobicContact CD-CB 4.43Å; K767-L795 HydrophobicContact CD-CD1 4.39Å; K767-L795 HydrophobicContact CG-CB 3.97Å
768L94.6Very high91Very high0 Ų042.7 Ų42.70%021%0.205CC..EExtended strand (participates in β ladder)trans-128.5123.7176.2-179.556.8000109.6L741 L759 L765 M770 L787 M793 L795 F796 R797L741-L768 HydrophobicContact CB-CD1 4.13Å; L741-L768 HydrophobicContact CD2-CD1 4.09Å; L741-L768 HydrophobicContact CG-CD1 4.21Å; L741-L768 WeakPolarHBondContact O-CA 3.48Å; L759-L768 HydrophobicContact CD2-CD2 3.58Å; L765-L768 HydrophobicContact CD2-CB 3.84Å; L765-L768 HydrophobicContact CD2-CD1 4.07Å; L765-L768 HydrophobicContact CD2-CD2 4.33Å; L765-L768 HydrophobicContact CD2-CG 4.32Å; L768-M770 HydrophobicContact CD1-CE 3.92Å; L768-M770 HydrophobicContact CD1-CG 4.25Å; L768-M770 HydrophobicContact CD2-CE 4.33Å; L768-M770 HydrophobicContact CG-CE 4.48Å; L768-L787 HydrophobicContact CD2-CD2 4.04Å; L768-M793 HydrophobicContact CB-CE 4.35Å; L768-M793 HydrophobicContact CD2-CE 4.28Å; L768-L795 PolarHBondContact N-O 3.49Å; L768-F796 HydrophobicContact CB-CD2 4.22Å; L768-F796 HydrophobicContact CD2-CD2 4.05Å; L768-F796 HydrophobicContact CD2-CE2 3.78Å; L768-F796 HydrophobicContact CG-CD2 4.34Å; L768-F796 HydrophobicContact CG-CE2 4.28Å; L768-R797 PolarHBondContact O-N 3.34Å
769I92.3Very high91Very high1 Ų138.1 Ų38.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-126.9125.5178-59.1170.6000108.2V537 L741 S742 I743 L795 R797V537-I769 HydrophobicContact CB-CD1 4.35Å; V537-I769 HydrophobicContact CG1-CD1 3.85Å; V537-I769 HydrophobicContact CG2-CD1 3.7Å; L741-I769 PolarHBondContact O-N 3.39Å; S742-I769 CarbonylContact C-O 3.59Å; S742-I769 WeakPolarHBondContact CA-O 3.25Å; S742-I769 WeakPolarHBondContact OG-CB 3.47Å; I743-I769 PolarHBondContact N-O 3.25Å; I769-L795 HydrophobicContact CD1-CD2 4.32Å; I769-L795 HydrophobicContact CG1-CD2 3.83Å; I769-R797 WeakPolarHBondContact CA-O 3.28Å; I769-R797 HydrophobicContact CB-CB 4.38Å; I769-R797 HydrophobicContact CG1-CB 4.05Å; I769-R797 HydrophobicContact CG2-CB 4.27Å; I769-R797 HydrophobicContact CG2-CG 4.28Å
770M91.7Very high91.1Very high1 Ų138.1 Ų38.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-133.8118.4177.2-74.6-169.2-177.100108.6I743 L755 L759 L768 I773 L783 R797 L798 T799I743-M770 CarbonylContact O-C 3.56Å; I743-M770 WeakPolarHBondContact O-CA 3.26Å; L755-M770 HydrophobicContact CD2-CE 4.02Å; L759-M770 HydrophobicContact CD1-CE 4.42Å; L759-M770 HydrophobicContact CD2-CE 4.45Å; L768-M770 HydrophobicContact CD1-CE 3.92Å; L768-M770 HydrophobicContact CD1-CG 4.25Å; L768-M770 HydrophobicContact CD2-CE 4.33Å; L768-M770 HydrophobicContact CG-CE 4.48Å; M770-I773 HydrophobicContact CB-CD1 3.51Å; M770-I773 HydrophobicContact CB-CG1 4.35Å; M770-I773 HydrophobicContact CG-CD1 3.58Å; M770-I773 HydrophobicContact SD-CD1 4.02Å; M770-L783 HydrophobicContact CE-CD1 3.99Å; M770-L783 HydrophobicContact SD-CD1 4.39Å; M770-L783 HydrophobicContact SD-CD2 4.16Å; M770-R797 PolarHBondContact N-O 3.42Å; M770-L798 HydrophobicContact CB-CD1 3.43Å; M770-L798 VanDerWaalsContact CB-CD1 3.43Å; M770-L798 HydrophobicContact CG-CD1 4.38Å; M770-L798 CarbonylContact O-C 3.3Å; M770-L798 VanDerWaalsContact O-CA 3.32Å; M770-L798 WeakPolarHBondContact O-CA 3.44Å; M770-L798 HydrophobicContact SD-CD1 4.26Å; M770-T799 PolarHBondContact O-N 2.95Å
771D88.6Confident91.2Very high19 Ų1939.9 Ų39.910%0.10220%0.195CC..EExtended strand (participates in β ladder)trans-133128.5-172.7-174.528.9000110.9I743 H744 D745 I773 T799 H800I743-D771 PolarHBondContact O-N 2.75Å; H744-D771 CarbonylContact C-O 3.59Å; H744-D771 VanDerWaalsContact CA-O 3.26Å; H744-D771 WeakPolarHBondContact CA-O 3.41Å; H744-D771 HydrophobicContact CB-CB 4.38Å; H744-D771 WeakPolarHBondContact ND1-CB 3.1Å; H744-D771 IonicContact ND1-OD2 3.68Å; H744-D771 PolarHBondContact ND1-OD2 3.09Å; D745-D771 PolarHBondContact N-O 2.61Å; D771-I773 VanDerWaalsContact C-N 3.3Å; D771-I773 PolarHBondContact O-N 3.23Å; D771-T799 CarbonylContact C-O 3.58Å; D771-T799 WeakPolarHBondContact CA-O 3.31Å; D771-T799 WeakPolarHBondContact CB-OG1 3.35Å; D771-T799 PolarHBondContact OD1-OG1 3.37Å; D771-H800 IonicContact OD1-CE1 3.17Å; D771-H800 IonicContact OD1-CG 3.4Å; D771-H800 IonicContact OD1-ND1 3.7Å; D771-H800 PolarHBondContact OD1-ND1 3.19Å
772N88.1Confident91.2Very high58 Ų5837.9 Ų37.931%0.3118%0.183SC..EExtended strand (participates in β ladder)trans49.450.6179.5-168.224.5000112.9D745 L746 Q747 T799 H800D745-N772 WeakPolarHBondContact CA-O 3.37Å; D745-N772 WeakPolarHBondContact OD1-CB 3.46Å; D745-N772 PolarHBondContact OD1-ND2 3.41Å; L746-N772 PolarHBondContact N-O 3.22Å; Q747-N772 PolarHBondContact NE2-ND2 3.47Å; Q747-N772 PolarHBondContact NE2-O 3.22Å; Q747-N772 VanDerWaalsContact NE2-O 3.11Å; Q747-N772 PolarHBondContact NE2-OD1 2.9Å; N772-T799 PolarHBondContact N-O 3Å; N772-H800 WeakPolarHBondContact CA-O 2.84Å; N772-H800 HydrophobicContact CB-CB 4.13Å
773I87.3Confident91.3Very high6 Ų637.9 Ų37.93%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-100.2131.7177.8-54.5-171.5000109.1I743 L746 M770 D771 M775 L801I743-I773 HydrophobicContact CB-CD1 3.88Å; I743-I773 HydrophobicContact CG2-CD1 3.72Å; I743-I773 HydrophobicContact CG2-CG1 4.39Å; L746-I773 HydrophobicContact CB-CG2 4.32Å; M770-I773 HydrophobicContact CB-CD1 3.51Å; M770-I773 HydrophobicContact CB-CG1 4.35Å; M770-I773 HydrophobicContact CG-CD1 3.58Å; M770-I773 HydrophobicContact SD-CD1 4.02Å; D771-I773 VanDerWaalsContact C-N 3.3Å; D771-I773 PolarHBondContact O-N 3.23Å; I773-M775 HydrophobicContact CG2-CG 3.92Å; I773-M775 HydrophobicContact CG2-SD 4.3Å; I773-M775 PolarHBondContact O-N 3.38Å; I773-L801 HydrophobicContact CB-CD2 4.15Å; I773-L801 VanDerWaalsContact O-CD2 3.29Å; I773-L801 WeakPolarHBondContact O-CD2 3.3Å
774K87.5Confident91.4Very high92 Ų9231.6 Ų31.640%0.416%0.156SC..  trans-74.6111.4172.8-169.2171.7-170.3169.10110.4L746 Q747 Q749L746-K774 PolarHBondContact O-N 2.96Å; Q747-K774 WeakPolarHBondContact O-CD 3.4Å; Q749-K774 HydrophobicContact CG-CD 4.21Å
775M87.4Confident91.4Very high7 Ų734.6 Ų34.63%0.03417%0.169CC..  trans-135.8148.6178.2-71.6178.356.500109.6R750 T756 I773 D779 A780 L783 I804R750-M775 HydrophobicContact CG-CG 4.07Å; T756-M775 HydrophobicContact CG2-CE 3.84Å; T756-M775 HydrophobicContact CG2-SD 4.31Å; I773-M775 HydrophobicContact CG2-CG 3.92Å; I773-M775 HydrophobicContact CG2-SD 4.3Å; I773-M775 PolarHBondContact O-N 3.38Å; M775-D779 HydrophobicContact CB-CB 4.12Å; M775-D779 HydrophobicContact CE-CB 3.92Å; M775-D779 HydrophobicContact CG-CB 4.33Å; M775-A780 HydrophobicContact CE-CB 4.25Å; M775-L783 HydrophobicContact CE-CB 4.14Å; M775-L783 HydrophobicContact CE-CD2 3.85Å; M775-L783 HydrophobicContact SD-CD2 4.47Å; M775-I804 HydrophobicContact CB-CG2 3.97Å
776N89.1Confident91.4Very high69 Ų6934.9 Ų34.937%0.36917%0.172SC..  trans-100.7-178.5166.867.930.7000111E778 D779 A780N776-E778 PolarHBondContact O-N 3.29Å; N776-E778 WeakPolarHBondContact OD1-CA 3.32Å; N776-E778 WeakPolarHBondContact OD1-CB 3.19Å; N776-E778 PolarHBondContact OD1-N 2.93Å; N776-D779 VanDerWaalsContact CG-OD2 3.3Å; N776-D779 PolarHBondContact N-OD2 3.14Å; N776-D779 PolarHBondContact O-N 2.76Å; N776-D779 PolarHBondContact OD1-N 2.85Å; N776-D779 PolarHBondContact OD1-OD2 2.86Å; N776-A780 PolarHBondContact O-N 3.39Å; N776-A780 VanDerWaalsContact O-N 3.11Å
777E90.9Very high91.4Very high76 Ų7633.6 Ų33.636%0.35516%0.163SC..Hα-helixtrans-61.3-41.6178.7-174.5175.7170.300113.5D779 A780 I781 I804E777-D779 VanDerWaalsContact C-N 3.33Å; E777-D779 PolarHBondContact O-N 2.89Å; E777-A780 WeakPolarHBondContact O-CB 3.4Å; E777-A780 PolarHBondContact O-N 2.83Å; E777-I781 HydrophobicContact CG-CD1 4.27Å; E777-I781 WeakPolarHBondContact O-CG1 3.36Å; E777-I781 PolarHBondContact O-N 2.88Å; E777-I804 VanDerWaalsContact CA-O 3.31Å; E777-I804 WeakPolarHBondContact CA-O 3.34Å; E777-I804 WeakPolarHBondContact CB-O 3.18Å
778E90.5Very high91.2Very high113 Ų11337.1 Ų37.153%0.52818%0.179SC..Hα-helixtrans-63.2-40.6178.2-168.2-172.415500111.4N776 A780 I781 K782N776-E778 PolarHBondContact O-N 3.29Å; N776-E778 WeakPolarHBondContact OD1-CA 3.32Å; N776-E778 WeakPolarHBondContact OD1-CB 3.19Å; N776-E778 PolarHBondContact OD1-N 2.93Å; E778-A780 VanDerWaalsContact C-N 3.32Å; E778-A780 PolarHBondContact O-N 3.1Å; E778-I781 PolarHBondContact O-N 2.85Å; E778-K782 WeakPolarHBondContact O-CG 3.25Å; E778-K782 PolarHBondContact O-N 2.95Å; E778-K782 WeakPolarHBondContact OE1-CE 3.29Å; E778-K782 IonicContact OE1-NZ 3.93Å; E778-K782 PolarHBondContact OE1-NZ 2.86Å
779D90.8Very high91.1Very high8 Ų841.4 Ų41.44%0.04320%0.202CC..Hα-helixtrans-62.6-40.1175.7-61.7-37.4000111.4R750 T756 M775 N776 E777 K782 L783R750-D779 HydrophobicContact CG-CB 4.45Å; T756-D779 HydrophobicContact CG2-CB 4.38Å; M775-D779 HydrophobicContact CB-CB 4.12Å; M775-D779 HydrophobicContact CE-CB 3.92Å; M775-D779 HydrophobicContact CG-CB 4.33Å; N776-D779 VanDerWaalsContact CG-OD2 3.3Å; N776-D779 PolarHBondContact N-OD2 3.14Å; N776-D779 PolarHBondContact O-N 2.76Å; N776-D779 PolarHBondContact OD1-N 2.85Å; N776-D779 PolarHBondContact OD1-OD2 2.86Å; E777-D779 VanDerWaalsContact C-N 3.33Å; E777-D779 PolarHBondContact O-N 2.89Å; D779-K782 PolarHBondContact O-N 2.84Å; D779-L783 WeakPolarHBondContact O-CB 3.1Å; D779-L783 PolarHBondContact O-N 2.8Å
780A92.1Very high91.1Very high0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-66.6-38.6176.800000112.1M775 N776 E777 E778 L783 A784 I804 I811M775-A780 HydrophobicContact CE-CB 4.25Å; N776-A780 PolarHBondContact O-N 3.39Å; N776-A780 VanDerWaalsContact O-N 3.11Å; E777-A780 WeakPolarHBondContact O-CB 3.4Å; E777-A780 PolarHBondContact O-N 2.83Å; E778-A780 VanDerWaalsContact C-N 3.32Å; E778-A780 PolarHBondContact O-N 3.1Å; A780-L783 WeakPolarHBondContact O-CB 3.45Å; A780-L783 PolarHBondContact O-N 3.02Å; A780-A784 WeakPolarHBondContact O-CB 3.35Å; A780-A784 PolarHBondContact O-N 3.43Å; A780-I804 HydrophobicContact CB-CB 4.34Å; A780-I811 HydrophobicContact CB-CD1 4Å
781I92.9Very high91Very high45 Ų4547.2 Ų47.223%0.23123%0.227CC..Hα-helixtrans-63.3-46.8173.7-67.2166.6000110.5E777 E778 L783 A784 E785 Y810E777-I781 HydrophobicContact CG-CD1 4.27Å; E777-I781 WeakPolarHBondContact O-CG1 3.36Å; E777-I781 PolarHBondContact O-N 2.88Å; E778-I781 PolarHBondContact O-N 2.85Å; I781-L783 VanDerWaalsContact C-N 3.34Å; I781-L783 PolarHBondContact O-N 2.84Å; I781-A784 WeakPolarHBondContact O-CA 3.32Å; I781-A784 VanDerWaalsContact O-CB 3.31Å; I781-A784 WeakPolarHBondContact O-CB 3.43Å; I781-A784 PolarHBondContact O-N 2.87Å; I781-A784 VanDerWaalsContact O-N 3.12Å; I781-E785 PolarHBondContact O-N 3.27Å; I781-Y810 HydrophobicContact CD1-CD2 4.3Å; I781-Y810 HydrophobicContact CD1-CE2 4.08Å; I781-Y810 HydrophobicContact CG1-CD1 4.31Å; I781-Y810 HydrophobicContact CG1-CD2 3.72Å; I781-Y810 HydrophobicContact CG1-CE2 4.02Å; I781-Y810 HydrophobicContact CG1-CG 3.87Å
782K93.2Very high91.2Very high38 Ų3851.7 Ų51.717%0.16525%0.245CC..Hα-helixtrans-64.6-39.1177.6-68.6179.2-168.3158.60112.3D757 E778 D779 A784 E785 G786D757-K782 VanDerWaalsContact CG-CD 3.47Å; D757-K782 WeakPolarHBondContact OD1-CD 3.47Å; D757-K782 IonicContact OD2-NZ 3.83Å; E778-K782 WeakPolarHBondContact O-CG 3.25Å; E778-K782 PolarHBondContact O-N 2.95Å; E778-K782 WeakPolarHBondContact OE1-CE 3.29Å; E778-K782 IonicContact OE1-NZ 3.93Å; E778-K782 PolarHBondContact OE1-NZ 2.86Å; D779-K782 PolarHBondContact O-N 2.84Å; K782-A784 VanDerWaalsContact C-N 3.31Å; K782-A784 PolarHBondContact O-N 3.49Å; K782-E785 PolarHBondContact O-N 3.39Å; K782-G786 PolarHBondContact O-N 3.21Å
783L93.6Very high91.5Very high0 Ų049.2 Ų49.20%023%0.232CC..Hα-helixtrans-56.4-48.3170.9177.262.9000110.3T756 L759 M770 M775 D779 A780 I781 E785 G786 L787 I811T756-L783 HydrophobicContact CG2-CB 4.32Å; L759-L783 HydrophobicContact CD2-CD1 3.31Å; M770-L783 HydrophobicContact CE-CD1 3.99Å; M770-L783 HydrophobicContact SD-CD1 4.39Å; M770-L783 HydrophobicContact SD-CD2 4.16Å; M775-L783 HydrophobicContact CE-CB 4.14Å; M775-L783 HydrophobicContact CE-CD2 3.85Å; M775-L783 HydrophobicContact SD-CD2 4.47Å; D779-L783 WeakPolarHBondContact O-CB 3.1Å; D779-L783 PolarHBondContact O-N 2.8Å; A780-L783 WeakPolarHBondContact O-CB 3.45Å; A780-L783 PolarHBondContact O-N 3.02Å; I781-L783 VanDerWaalsContact C-N 3.34Å; I781-L783 PolarHBondContact O-N 2.84Å; L783-E785 VanDerWaalsContact C-N 3.33Å; L783-E785 PolarHBondContact O-N 2.85Å; L783-G786 WeakPolarHBondContact O-CA 3.37Å; L783-G786 PolarHBondContact O-N 3.17Å; L783-G786 VanDerWaalsContact O-N 3.11Å; L783-L787 HydrophobicContact CG-CD1 4.47Å; L783-L787 WeakPolarHBondContact O-CG 3.33Å; L783-L787 PolarHBondContact O-N 2.99Å; L783-I811 HydrophobicContact CD2-CD1 3.99Å
784A94.1Very high91.7Very high4 Ų450.4 Ų50.43%0.03324%0.241CC..Hα-helixtrans-59-41.4177.400000112.6A780 I781 K782 G786 L787 Y810 I811 S814A780-A784 WeakPolarHBondContact O-CB 3.35Å; A780-A784 PolarHBondContact O-N 3.43Å; I781-A784 WeakPolarHBondContact O-CA 3.32Å; I781-A784 VanDerWaalsContact O-CB 3.31Å; I781-A784 WeakPolarHBondContact O-CB 3.43Å; I781-A784 PolarHBondContact O-N 2.87Å; I781-A784 VanDerWaalsContact O-N 3.12Å; K782-A784 VanDerWaalsContact C-N 3.31Å; K782-A784 PolarHBondContact O-N 3.49Å; A784-G786 VanDerWaalsContact C-N 3.34Å; A784-G786 PolarHBondContact O-N 3.4Å; A784-L787 PolarHBondContact O-N 3.35Å; A784-Y810 VanDerWaalsContact CB-C 3.47Å; A784-Y810 WeakPolarHBondContact CB-O 3.42Å; A784-I811 HydrophobicContact CB-CG1 4.03Å; A784-S814 VanDerWaalsContact O-CB 3.28Å; A784-S814 WeakPolarHBondContact O-CB 3.39Å; A784-S814 PolarHBondContact O-OG 3.29Å
785E93.9Very high92Very high114 Ų11446.4 Ų46.453%0.53322%0.224SC..Hα-helixtrans-61.6-42173.6-68.8-179.3167.400112.1I781 K782 L783 K788I781-E785 PolarHBondContact O-N 3.27Å; K782-E785 PolarHBondContact O-N 3.39Å; L783-E785 VanDerWaalsContact C-N 3.33Å; L783-E785 PolarHBondContact O-N 2.85Å; E785-K788 PolarHBondContact O-N 3.18Å
786G92.4Very high92.4Very high6 Ų646 Ų466%0.06222%0.222CC..Hα-helixtrans-60.3-43.5174.700000113G760 K782 L783 A784 K788 N789G760-G786 WeakPolarHBondContact CA-O 3.38Å; K782-G786 PolarHBondContact O-N 3.21Å; L783-G786 WeakPolarHBondContact O-CA 3.37Å; L783-G786 PolarHBondContact O-N 3.17Å; L783-G786 VanDerWaalsContact O-N 3.11Å; A784-G786 VanDerWaalsContact C-N 3.34Å; A784-G786 PolarHBondContact O-N 3.4Å; G786-K788 PolarHBondContact O-N 3.39Å; G786-N789 WeakPolarHBondContact O-CB 3.43Å; G786-N789 PolarHBondContact O-N 3.15Å; G786-N789 VanDerWaalsContact O-N 3.09Å
787L93.9Very high92.6Very high12 Ų1244.5 Ų44.56%0.06321%0.211CC..Hα-helixtrans-58.1-32.3-179.5-69.7175000112.9L759 L768 L783 A784 N789 L790 M793 F796 I811 L815L759-L787 HydrophobicContact CD2-CD2 4.29Å; L768-L787 HydrophobicContact CD2-CD2 4.04Å; L783-L787 HydrophobicContact CG-CD1 4.47Å; L783-L787 WeakPolarHBondContact O-CG 3.33Å; L783-L787 PolarHBondContact O-N 2.99Å; A784-L787 PolarHBondContact O-N 3.35Å; L787-N789 PolarHBondContact O-N 3.25Å; L787-N789 VanDerWaalsContact O-N 3.09Å; L787-L790 HydrophobicContact CD2-CD1 4.14Å; L787-L790 PolarHBondContact O-N 2.84Å; L787-M793 HydrophobicContact CD2-CE 3.59Å; L787-M793 HydrophobicContact CD2-SD 4.38Å; L787-F796 HydrophobicContact CD1-CE2 3.99Å; L787-F796 HydrophobicContact CD1-CZ 3.98Å; L787-F796 HydrophobicContact CD2-CD2 4.09Å; L787-F796 HydrophobicContact CD2-CE2 3.7Å; L787-F796 HydrophobicContact CG-CE2 4.5Å; L787-I811 HydrophobicContact CD1-CG2 3.92Å; L787-L815 HydrophobicContact CD1-CD2 3.98Å; L787-L815 HydrophobicContact CD1-CG 4.16Å
788K91.3Very high92.7Very high111 Ų11140.9 Ų40.948%0.48319%0.194SC..THydrogen-bonded Turntrans-57.4-28.9177.7-63.2-176.7-178170.60112.9E785 G786 K791 S814E785-K788 PolarHBondContact O-N 3.18Å; G786-K788 PolarHBondContact O-N 3.39Å; K788-K791 WeakPolarHBondContact O-CE 3.44Å; K788-K791 PolarHBondContact O-NZ 2.77Å; K788-S814 WeakPolarHBondContact CG-OG 3.37Å; K788-S814 PolarHBondContact N-OG 3.46Å
789N90.9Very high92.6Very high90 Ų9035.9 Ų35.948%0.48117%0.171SC..THydrogen-bonded Turntrans-84.1-12.8-179.3-64.5-52.3000113.6G786 L787 K791G786-N789 WeakPolarHBondContact O-CB 3.43Å; G786-N789 PolarHBondContact O-N 3.15Å; G786-N789 VanDerWaalsContact O-N 3.09Å; L787-N789 PolarHBondContact O-N 3.25Å; L787-N789 VanDerWaalsContact O-N 3.09Å; N789-K791 PolarHBondContact O-N 3.47Å
790L92.3Very high92.5Very high8 Ų838.4 Ų38.44%0.04218%0.183CC..  trans-93.264.9-171.6-59.3-173.4000112.1L759 L762 L765 L787 K792 M793L759-L790 HydrophobicContact CD2-CD1 4Å; L759-L790 HydrophobicContact CG-CD1 4.13Å; L762-L790 HydrophobicContact CB-CD2 4.41Å; L762-L790 WeakPolarHBondContact O-CD2 3.29Å; L765-L790 HydrophobicContact CD2-CD1 4.18Å; L787-L790 HydrophobicContact CD2-CD1 4.14Å; L787-L790 PolarHBondContact O-N 2.84Å; L790-K792 PolarHBondContact O-N 2.92Å; L790-M793 HydrophobicContact CB-CE 3.62Å; L790-M793 HydrophobicContact CD1-CE 3.33Å; L790-M793 HydrophobicContact CG-CE 4.12Å; L790-M793 WeakPolarHBondContact O-CB 3.35Å; L790-M793 PolarHBondContact O-N 3.44Å
791K90.4Very high92.2Very high116 Ų11638.8 Ų38.850%0.50419%0.185SC..THydrogen-bonded Turntrans-69.6-11.8-173.3-58-53.1-166.2-170.70115.7K788 N789 E818K788-K791 WeakPolarHBondContact O-CE 3.44Å; K788-K791 PolarHBondContact O-NZ 2.77Å; N789-K791 PolarHBondContact O-N 3.47Å; K791-E818 IonicContact NZ-OE2 3.75Å; K791-E818 PolarHBondContact NZ-OE2 3.47Å
792K93Very high91.7Very high112 Ų11239.7 Ų39.749%0.48720%0.195SC..THydrogen-bonded Turntrans-97.36.9178.9-64-174.3-175.41750113.4N764 L765 T766 L790 C794N764-K792 PolarHBondContact OD1-NZ 2.82Å; L765-K792 CarbonylContact O-C 3.6Å; T766-K792 WeakPolarHBondContact CA-O 3.41Å; L790-K792 PolarHBondContact O-N 2.92Å; K792-C794 PolarHBondContact O-N 3.36Å
793M93.3Very high91.2Very high7 Ų744 Ų443%0.03422%0.219CC..  trans-70129.6-176.4-164.1178-61.800110.8L765 L768 L787 L790 F796 D821 L822L765-M793 PolarHBondContact O-N 3.4Å; L768-M793 HydrophobicContact CB-CE 4.35Å; L768-M793 HydrophobicContact CD2-CE 4.28Å; L787-M793 HydrophobicContact CD2-CE 3.59Å; L787-M793 HydrophobicContact CD2-SD 4.38Å; L790-M793 HydrophobicContact CB-CE 3.62Å; L790-M793 HydrophobicContact CD1-CE 3.33Å; L790-M793 HydrophobicContact CG-CE 4.12Å; L790-M793 WeakPolarHBondContact O-CB 3.35Å; L790-M793 PolarHBondContact O-N 3.44Å; M793-F796 HydrophobicContact CE-CD2 4.42Å; M793-F796 HydrophobicContact SD-CB 3.75Å; M793-F796 HydrophobicContact SD-CD2 3.67Å; M793-F796 HydrophobicContact SD-CG 4.1Å; M793-D821 CarbonylContact O-C 3.52Å; M793-L822 HydrophobicContact CB-CD2 4Å; M793-L822 HydrophobicContact CG-CD2 3.65Å; M793-L822 HydrophobicContact SD-CD2 4.05Å
794C93.3Very high90.8Very high31 Ų3144 Ų4421%0.20922%0.219CC..  trans-113.8-29.5174.3-56.80000111.6T766 K792 E823 E824T766-C794 PolarHBondContact O-N 2.9Å; K792-C794 PolarHBondContact O-N 3.36Å; C794-E823 HydrophobicContact CB-CG 4.5Å; C794-E823 PolarHBondContact O-N 3.13Å; C794-E824 PolarHBondContact O-N 3.46Å
795L93.8Very high90.4Very high7 Ų746 Ų464%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-127.9124.4179.6-175.5161.1000110.3T766 K767 L768 I769 R797 E824T766-L795 PolarHBondContact O-N 3.04Å; K767-L795 WeakPolarHBondContact CA-O 3.35Å; K767-L795 HydrophobicContact CB-CB 4.23Å; K767-L795 HydrophobicContact CD-CB 4.43Å; K767-L795 HydrophobicContact CD-CD1 4.39Å; K767-L795 HydrophobicContact CG-CB 3.97Å; L768-L795 PolarHBondContact N-O 3.49Å; I769-L795 HydrophobicContact CD1-CD2 4.32Å; I769-L795 HydrophobicContact CG1-CD2 3.83Å; L795-R797 HydrophobicContact CD2-CB 4.22Å; L795-E824 HydrophobicContact CB-CB 4.34Å; L795-E824 WeakPolarHBondContact CD1-OE2 3.16Å; L795-E824 HydrophobicContact CG-CB 4.04Å
796F94.9Very high90.2Very high0 Ų046.5 Ų46.50%024%0.243CC..EExtended strand (participates in β ladder)trans-124.5121171.4-174.2-104.4000110.5L768 L787 M793 L798 I811 L815 L822 E824 I825 Q826 L827L768-F796 HydrophobicContact CB-CD2 4.22Å; L768-F796 HydrophobicContact CD2-CD2 4.05Å; L768-F796 HydrophobicContact CD2-CE2 3.78Å; L768-F796 HydrophobicContact CG-CD2 4.34Å; L768-F796 HydrophobicContact CG-CE2 4.28Å; L787-F796 HydrophobicContact CD1-CE2 3.99Å; L787-F796 HydrophobicContact CD1-CZ 3.98Å; L787-F796 HydrophobicContact CD2-CD2 4.09Å; L787-F796 HydrophobicContact CD2-CE2 3.7Å; L787-F796 HydrophobicContact CG-CE2 4.5Å; M793-F796 HydrophobicContact CE-CD2 4.42Å; M793-F796 HydrophobicContact SD-CB 3.75Å; M793-F796 HydrophobicContact SD-CD2 3.67Å; M793-F796 HydrophobicContact SD-CG 4.1Å; F796-L798 HydrophobicContact CE1-CB 3.95Å; F796-L798 HydrophobicContact CE1-CD2 4.35Å; F796-L798 HydrophobicContact CZ-CB 4.18Å; F796-L798 HydrophobicContact CZ-CD2 4.2Å; F796-I811 HydrophobicContact CE1-CG2 3.98Å; F796-I811 HydrophobicContact CZ-CG2 4.03Å; F796-L815 HydrophobicContact CB-CD2 4.37Å; F796-L815 HydrophobicContact CD1-CD1 3.52Å; F796-L815 HydrophobicContact CD1-CD2 4.12Å; F796-L815 HydrophobicContact CD1-CG 4.47Å; F796-L815 HydrophobicContact CD2-CD2 4.32Å; F796-L815 HydrophobicContact CE1-CD1 3.63Å; F796-L815 HydrophobicContact CG-CD1 4.24Å; F796-L815 HydrophobicContact CG-CD2 4Å; F796-L815 HydrophobicContact CZ-CD1 4.44Å; F796-L822 HydrophobicContact CB-CD2 4.28Å; F796-E824 PolarHBondContact N-O 3.34Å; F796-I825 WeakPolarHBondContact O-CA 3.49Å; F796-Q826 PolarHBondContact O-N 2.97Å; F796-L827 HydrophobicContact CD1-CD2 4.06Å; F796-L827 HydrophobicContact CE1-CD2 3.73Å
797R93.8Very high90.1Very high37 Ų3746.2 Ų46.214%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-127.8127.6175.6-179.8179.5-59.8-179.14.2110.8E532 L768 I769 M770 L795 T799 Q826E532-R797 IonicContact OE1-CZ 3.66Å; E532-R797 IonicContact OE1-NH1 2.86Å; E532-R797 PolarHBondContact OE1-NH1 3.38Å; E532-R797 IonicContact OE1-NH2 4Å; E532-R797 IonicContact OE2-NH1 3.01Å; E532-R797 PolarHBondContact OE2-NH1 3.49Å; L768-R797 PolarHBondContact O-N 3.34Å; I769-R797 WeakPolarHBondContact CA-O 3.28Å; I769-R797 HydrophobicContact CB-CB 4.38Å; I769-R797 HydrophobicContact CG1-CB 4.05Å; I769-R797 HydrophobicContact CG2-CB 4.27Å; I769-R797 HydrophobicContact CG2-CG 4.28Å; M770-R797 PolarHBondContact N-O 3.42Å; L795-R797 HydrophobicContact CD2-CB 4.22Å; R797-T799 HydrophobicContact CG-CG2 3.71Å; R797-Q826 CarbonylContact C-O 3.52Å; R797-Q826 WeakPolarHBondContact CA-O 3.46Å; R797-Q826 HydrophobicContact CB-CB 4.25Å; R797-Q826 HydrophobicContact CG-CB 3.98Å
798L92.4Very high90.1Very high0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-134112.3175-161.262000108.5M770 F796 L801 M808 I811 Q826 L827 V828M770-L798 HydrophobicContact CB-CD1 3.43Å; M770-L798 VanDerWaalsContact CB-CD1 3.43Å; M770-L798 HydrophobicContact CG-CD1 4.38Å; M770-L798 CarbonylContact O-C 3.3Å; M770-L798 VanDerWaalsContact O-CA 3.32Å; M770-L798 WeakPolarHBondContact O-CA 3.44Å; M770-L798 HydrophobicContact SD-CD1 4.26Å; F796-L798 HydrophobicContact CE1-CB 3.95Å; F796-L798 HydrophobicContact CE1-CD2 4.35Å; F796-L798 HydrophobicContact CZ-CB 4.18Å; F796-L798 HydrophobicContact CZ-CD2 4.2Å; L798-L801 HydrophobicContact CD1-CD1 3.62Å; L798-L801 HydrophobicContact CD1-CD2 4.41Å; L798-L801 HydrophobicContact CD1-CG 4.21Å; L798-L801 HydrophobicContact CD2-CD1 3.54Å; L798-L801 HydrophobicContact CG-CD1 3.39Å; L798-L801 HydrophobicContact CG-CG 4.02Å; L798-M808 HydrophobicContact CD2-CE 3.59Å; L798-M808 HydrophobicContact CD2-SD 4.31Å; L798-I811 HydrophobicContact CD2-CD1 3.83Å; L798-Q826 PolarHBondContact N-O 3.35Å; L798-L827 HydrophobicContact CB-CD2 3.79Å; L798-L827 WeakPolarHBondContact O-CA 3.44Å; L798-V828 PolarHBondContact O-N 3.18Å
799T89Confident90.3Very high8 Ų841 Ų415%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-133.6150-172.654.70000113.3M770 D771 N772 R797 L801 V828M770-T799 PolarHBondContact O-N 2.95Å; D771-T799 CarbonylContact C-O 3.58Å; D771-T799 WeakPolarHBondContact CA-O 3.31Å; D771-T799 WeakPolarHBondContact CB-OG1 3.35Å; D771-T799 PolarHBondContact OD1-OG1 3.37Å; N772-T799 PolarHBondContact N-O 3Å; R797-T799 HydrophobicContact CG-CG2 3.71Å; T799-L801 VanDerWaalsContact C-N 3.34Å; T799-L801 PolarHBondContact O-N 3.27Å; T799-V828 VanDerWaalsContact CA-O 3.23Å; T799-V828 WeakPolarHBondContact CA-O 3.14Å; T799-V828 HydrophobicContact CG2-CB 3.81Å; T799-V828 HydrophobicContact CG2-CG2 4.31Å
800H87.6Confident90.5Very high61 Ų6141.9 Ų41.928%0.28222%0.215SC..SBendtrans52.345.8176.6-49.4107.6000113.7R530 D771 N772 V828 S829R530-H800 PolarHBondContact NH1-NE2 3.47Å; D771-H800 IonicContact OD1-CE1 3.17Å; D771-H800 IonicContact OD1-CG 3.4Å; D771-H800 IonicContact OD1-ND1 3.7Å; D771-H800 PolarHBondContact OD1-ND1 3.19Å; N772-H800 WeakPolarHBondContact CA-O 2.84Å; N772-H800 HydrophobicContact CB-CB 4.13Å; H800-V828 PolarHBondContact N-O 3.47Å; H800-S829 CarbonylContact C-O 3.28Å; H800-S829 WeakPolarHBondContact CA-O 3.43Å; H800-S829 PolarHBondContact N-O 2.79Å
801L86.9Confident90.6Very high8 Ų841.5 Ų41.54%0.04221%0.213CC..  trans-91.4140.9172.4-60.3-170.3000110.9I773 L798 T799 I804 S829 C830I773-L801 HydrophobicContact CB-CD2 4.15Å; I773-L801 VanDerWaalsContact O-CD2 3.29Å; I773-L801 WeakPolarHBondContact O-CD2 3.3Å; L798-L801 HydrophobicContact CD1-CD1 3.62Å; L798-L801 HydrophobicContact CD1-CD2 4.41Å; L798-L801 HydrophobicContact CD1-CG 4.21Å; L798-L801 HydrophobicContact CD2-CD1 3.54Å; L798-L801 HydrophobicContact CG-CD1 3.39Å; L798-L801 HydrophobicContact CG-CG 4.02Å; T799-L801 VanDerWaalsContact C-N 3.34Å; T799-L801 PolarHBondContact O-N 3.27Å; L801-I804 HydrophobicContact CB-CD1 4.5Å; L801-I804 HydrophobicContact CB-CG2 4.4Å; L801-I804 HydrophobicContact CD1-CD1 4.19Å; L801-I804 HydrophobicContact CD1-CG2 4.29Å; L801-S829 PolarHBondContact N-O 3.33Å; L801-S829 VanDerWaalsContact N-O 3.13Å; L801-C830 HydrophobicContact CB-CB 4.05Å; L801-C830 HydrophobicContact CG-CB 4.27Å
802S82.5Confident90.9Very high63 Ų6336.1 Ų36.144%0.44119%0.19SC..  trans-120.3160.3169.169.90000110.5I804S802-I804 VanDerWaalsContact C-N 3.28Å; S802-I804 PolarHBondContact O-N 3.08Å; S802-I804 VanDerWaalsContact O-N 3.16Å
803D81.2Confident91Very high128 Ų12836.8 Ų36.868%0.68419%0.193SC*.SBendtrans63.123165.4-46.9-53.1000116.4
804I86.4Confident91.1Very high0 Ų037 Ų370%020%0.195CC..  trans-88.33.3178.162.3166.2000114.7M775 E777 A780 L801 S802 E806 G807 M808 C830 C831M775-I804 HydrophobicContact CB-CG2 3.97Å; E777-I804 VanDerWaalsContact CA-O 3.31Å; E777-I804 WeakPolarHBondContact CA-O 3.34Å; E777-I804 WeakPolarHBondContact CB-O 3.18Å; A780-I804 HydrophobicContact CB-CB 4.34Å; L801-I804 HydrophobicContact CB-CD1 4.5Å; L801-I804 HydrophobicContact CB-CG2 4.4Å; L801-I804 HydrophobicContact CD1-CD1 4.19Å; L801-I804 HydrophobicContact CD1-CG2 4.29Å; S802-I804 VanDerWaalsContact C-N 3.28Å; S802-I804 PolarHBondContact O-N 3.08Å; S802-I804 VanDerWaalsContact O-N 3.16Å; I804-E806 PolarHBondContact O-N 3.12Å; I804-G807 WeakPolarHBondContact O-CA 3.49Å; I804-G807 PolarHBondContact O-N 2.99Å; I804-M808 HydrophobicContact CD1-CB 4.05Å; I804-M808 HydrophobicContact CD1-CE 3.46Å; I804-M808 VanDerWaalsContact CD1-CE 3.46Å; I804-C830 WeakPolarHBondContact CD1-O 3.2Å; I804-C831 HydrophobicContact CD1-CB 4.39Å; I804-C831 HydrophobicContact CG1-CB 3.98Å
805G86.1Confident91.2Very high48 Ų4836.2 Ų36.250%0.49519%0.189SC..THydrogen-bonded Turntrans54.2-134.3179.400000113G807G805-G807 PolarHBondContact O-N 2.9Å
806E88.2Confident91.2Very high123 Ų12335.9 Ų35.958%0.57519%0.187SC*.THydrogen-bonded Turntrans-80.95.9174.4-61.8-173.2171.200113.2I804 M808 D809 Y810I804-E806 PolarHBondContact O-N 3.12Å; E806-M808 PolarHBondContact O-N 3.18Å; E806-D809 VanDerWaalsContact O-CB 3.32Å; E806-D809 WeakPolarHBondContact O-CB 3.39Å; E806-D809 PolarHBondContact O-N 3.28Å; E806-Y810 WeakPolarHBondContact O-CD2 3.4Å
807G91.8Very high91Very high0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-56.6-28.4-176.500000114.3I804 G805 D809 Y810 I811I804-G807 WeakPolarHBondContact O-CA 3.49Å; I804-G807 PolarHBondContact O-N 2.99Å; G805-G807 PolarHBondContact O-N 2.9Å; G807-D809 VanDerWaalsContact C-N 3.29Å; G807-D809 PolarHBondContact O-N 3.12Å; G807-Y810 PolarHBondContact O-N 3.01Å; G807-I811 PolarHBondContact O-N 2.91Å
808M93.3Very high91Very high0 Ų041.6 Ų41.60%022%0.221CC..Hα-helixtrans-65.5-31.2177-167.756.762.100112.8L798 I804 E806 Y810 I811 V812 L827 C830 L832 A836L798-M808 HydrophobicContact CD2-CE 3.59Å; L798-M808 HydrophobicContact CD2-SD 4.31Å; I804-M808 HydrophobicContact CD1-CB 4.05Å; I804-M808 HydrophobicContact CD1-CE 3.46Å; I804-M808 VanDerWaalsContact CD1-CE 3.46Å; E806-M808 PolarHBondContact O-N 3.18Å; M808-Y810 VanDerWaalsContact C-N 3.28Å; M808-Y810 PolarHBondContact O-N 3.26Å; M808-I811 HydrophobicContact CE-CD1 4.39Å; M808-I811 PolarHBondContact O-N 3.48Å; M808-I811 HydrophobicContact SD-CB 4.17Å; M808-I811 HydrophobicContact SD-CD1 4.36Å; M808-I811 HydrophobicContact SD-CG2 4.18Å; M808-V812 HydrophobicContact CG-CG2 4.2Å; M808-V812 WeakPolarHBondContact O-CB 3.49Å; M808-V812 WeakPolarHBondContact O-CG2 3.35Å; M808-V812 PolarHBondContact O-N 2.96Å; M808-V812 HydrophobicContact SD-CG2 4.22Å; M808-L827 HydrophobicContact SD-CD1 4.24Å; M808-L827 HydrophobicContact SD-CD2 4.25Å; M808-C830 HydrophobicContact CE-CB 3.9Å; M808-C830 VanDerWaalsContact CE-O 3.26Å; M808-C830 WeakPolarHBondContact CE-O 3.38Å; M808-C830 VanDerWaalsContact CE-SG 3.56Å; M808-L832 HydrophobicContact CG-CD1 3.6Å; M808-L832 HydrophobicContact SD-CD1 4.48Å; M808-A836 HydrophobicContact CG-CB 4.42Å
809D94.4Very high90.9Very high15 Ų1546.7 Ų46.78%0.0826%0.255CS..Hα-helixtrans-62.1-41.1177.7-64.913.2000110.3E806 G807 K813 S833 N835 A836 I839E806-D809 VanDerWaalsContact O-CB 3.32Å; E806-D809 WeakPolarHBondContact O-CB 3.39Å; E806-D809 PolarHBondContact O-N 3.28Å; G807-D809 VanDerWaalsContact C-N 3.29Å; G807-D809 PolarHBondContact O-N 3.12Å; D809-K813 WeakPolarHBondContact O-CB 3.28Å; D809-K813 PolarHBondContact O-N 3.05Å; D809-S833 PolarHBondContact OD1-OG 3.16Å; D809-N835 WeakPolarHBondContact OD2-CB 3.21Å; D809-N835 PolarHBondContact OD2-ND2 2.96Å; D809-A836 WeakPolarHBondContact OD1-CB 3.14Å; D809-I839 HydrophobicContact CB-CD1 4.16Å
810Y95.8Very high90.8Very high107 Ų10747.9 Ų47.942%0.4226%0.262SS..Hα-helixtrans-67.3-42.5176.1-64.4-90.5000112I781 A784 E806 G807 M808 K813 S814I781-Y810 HydrophobicContact CD1-CD2 4.3Å; I781-Y810 HydrophobicContact CD1-CE2 4.08Å; I781-Y810 HydrophobicContact CG1-CD1 4.31Å; I781-Y810 HydrophobicContact CG1-CD2 3.72Å; I781-Y810 HydrophobicContact CG1-CE2 4.02Å; I781-Y810 HydrophobicContact CG1-CG 3.87Å; A784-Y810 VanDerWaalsContact CB-C 3.47Å; A784-Y810 WeakPolarHBondContact CB-O 3.42Å; E806-Y810 WeakPolarHBondContact O-CD2 3.4Å; G807-Y810 PolarHBondContact O-N 3.01Å; M808-Y810 VanDerWaalsContact C-N 3.28Å; M808-Y810 PolarHBondContact O-N 3.26Å; Y810-K813 PolarHBondContact O-N 2.94Å; Y810-S814 WeakPolarHBondContact O-CB 3.49Å; Y810-S814 PolarHBondContact O-N 3.21Å
811I95.7Very high90.9Very high0 Ų048.6 Ų48.60%027%0.269CS..Hα-helixtrans-61.2-52.3177.6-68.5170.4000110A780 L783 A784 L787 F796 L798 G807 M808 K813 S814 L815A780-I811 HydrophobicContact CB-CD1 4Å; L783-I811 HydrophobicContact CD2-CD1 3.99Å; A784-I811 HydrophobicContact CB-CG1 4.03Å; L787-I811 HydrophobicContact CD1-CG2 3.92Å; F796-I811 HydrophobicContact CE1-CG2 3.98Å; F796-I811 HydrophobicContact CZ-CG2 4.03Å; L798-I811 HydrophobicContact CD2-CD1 3.83Å; G807-I811 PolarHBondContact O-N 2.91Å; M808-I811 HydrophobicContact CE-CD1 4.39Å; M808-I811 PolarHBondContact O-N 3.48Å; M808-I811 HydrophobicContact SD-CB 4.17Å; M808-I811 HydrophobicContact SD-CD1 4.36Å; M808-I811 HydrophobicContact SD-CG2 4.18Å; I811-K813 VanDerWaalsContact C-N 3.33Å; I811-K813 PolarHBondContact O-N 3.27Å; I811-S814 WeakPolarHBondContact O-CB 3.43Å; I811-S814 PolarHBondContact O-N 3.37Å; I811-S814 VanDerWaalsContact O-N 3.11Å; I811-L815 HydrophobicContact CG2-CD1 3.94Å; I811-L815 HydrophobicContact CG2-CG 4.49Å; I811-L815 WeakPolarHBondContact O-CG 3.42Å; I811-L815 PolarHBondContact O-N 3.21Å
812V95.8Very high91.3Very high3 Ų348.5 Ų48.52%0.01827%0.268CS..Hα-helixtrans-63-41-179.9171.60000111.3M808 S814 L815 S816 L827 L832 A836 I839 L840M808-V812 HydrophobicContact CG-CG2 4.2Å; M808-V812 WeakPolarHBondContact O-CB 3.49Å; M808-V812 WeakPolarHBondContact O-CG2 3.35Å; M808-V812 PolarHBondContact O-N 2.96Å; M808-V812 HydrophobicContact SD-CG2 4.22Å; V812-S814 VanDerWaalsContact C-N 3.32Å; V812-S814 PolarHBondContact O-N 3.24Å; V812-L815 PolarHBondContact O-N 3.29Å; V812-S816 WeakPolarHBondContact O-CB 3.42Å; V812-S816 PolarHBondContact O-N 3.09Å; V812-S816 VanDerWaalsContact O-N 3.08Å; V812-S816 PolarHBondContact O-OG 3.19Å; V812-L827 HydrophobicContact CG2-CD1 3.7Å; V812-L832 HydrophobicContact CG2-CD1 4.23Å; V812-A836 HydrophobicContact CB-CB 4.37Å; V812-A836 WeakPolarHBondContact CG1-O 3.4Å; V812-A836 HydrophobicContact CG2-CB 4.15Å; V812-I839 HydrophobicContact CG1-CB 4.48Å; V812-I839 HydrophobicContact CG1-CG2 4.26Å; V812-L840 HydrophobicContact CG1-CB 3.71Å; V812-L840 HydrophobicContact CG1-CD1 4.27Å
813K95.6Very high91.8Very high126 Ų12649.9 Ų49.955%0.54827%0.268SS..Hα-helixtrans-59.2-43.5173-174.1171.7178172.70111.6D809 Y810 I811 S816 S817 I839D809-K813 WeakPolarHBondContact O-CB 3.28Å; D809-K813 PolarHBondContact O-N 3.05Å; Y810-K813 PolarHBondContact O-N 2.94Å; I811-K813 VanDerWaalsContact C-N 3.33Å; I811-K813 PolarHBondContact O-N 3.27Å; K813-S816 PolarHBondContact O-N 2.9Å; K813-S817 WeakPolarHBondContact O-CA 3.32Å; K813-S817 WeakPolarHBondContact O-CB 3.46Å; K813-S817 PolarHBondContact O-N 3.32Å; K813-S817 PolarHBondContact O-OG 3.24Å; K813-S817 VanDerWaalsContact O-OG 3.13Å; K813-I839 HydrophobicContact CB-CG2 3.95Å; K813-I839 HydrophobicContact CG-CG2 4.41Å
814S95.4Very high92.4Very high12 Ų1244.5 Ų44.58%0.08424%0.238CC..Hα-helixtrans-63.3-45.3178.5-171.60000112.5A784 K788 Y810 I811 V812 S816 S817A784-S814 VanDerWaalsContact O-CB 3.28Å; A784-S814 WeakPolarHBondContact O-CB 3.39Å; A784-S814 PolarHBondContact O-OG 3.29Å; K788-S814 WeakPolarHBondContact CG-OG 3.37Å; K788-S814 PolarHBondContact N-OG 3.46Å; Y810-S814 WeakPolarHBondContact O-CB 3.49Å; Y810-S814 PolarHBondContact O-N 3.21Å; I811-S814 WeakPolarHBondContact O-CB 3.43Å; I811-S814 PolarHBondContact O-N 3.37Å; I811-S814 VanDerWaalsContact O-N 3.11Å; V812-S814 VanDerWaalsContact C-N 3.32Å; V812-S814 PolarHBondContact O-N 3.24Å; S814-S816 VanDerWaalsContact C-N 3.3Å; S814-S816 PolarHBondContact O-N 3.19Å; S814-S817 PolarHBondContact O-OG 3.04Å
815L94.2Very high92.9Very high15 Ų1544.5 Ų44.58%0.07924%0.238CC..Hα-helixtrans-64.1-33.2179.4-67.8168.5000113.2L787 F796 I811 V812 L822L787-L815 HydrophobicContact CD1-CD2 3.98Å; L787-L815 HydrophobicContact CD1-CG 4.16Å; F796-L815 HydrophobicContact CB-CD2 4.37Å; F796-L815 HydrophobicContact CD1-CD1 3.52Å; F796-L815 HydrophobicContact CD1-CD2 4.12Å; F796-L815 HydrophobicContact CD1-CG 4.47Å; F796-L815 HydrophobicContact CD2-CD2 4.32Å; F796-L815 HydrophobicContact CE1-CD1 3.63Å; F796-L815 HydrophobicContact CG-CD1 4.24Å; F796-L815 HydrophobicContact CG-CD2 4Å; F796-L815 HydrophobicContact CZ-CD1 4.44Å; I811-L815 HydrophobicContact CG2-CD1 3.94Å; I811-L815 HydrophobicContact CG2-CG 4.49Å; I811-L815 WeakPolarHBondContact O-CG 3.42Å; I811-L815 PolarHBondContact O-N 3.21Å; V812-L815 PolarHBondContact O-N 3.29Å; L815-L822 HydrophobicContact CB-CD1 4.37Å; L815-L822 HydrophobicContact CD2-CD1 3.94Å
816S94.6Very high93.3Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-106.7-15.9-169.965.40000114.7V812 K813 S814 E818 N843 N846V812-S816 WeakPolarHBondContact O-CB 3.42Å; V812-S816 PolarHBondContact O-N 3.09Å; V812-S816 VanDerWaalsContact O-N 3.08Å; V812-S816 PolarHBondContact O-OG 3.19Å; K813-S816 PolarHBondContact O-N 2.9Å; S814-S816 VanDerWaalsContact C-N 3.3Å; S814-S816 PolarHBondContact O-N 3.19Å; S816-E818 VanDerWaalsContact C-N 3.26Å; S816-E818 PolarHBondContact O-N 2.82Å; S816-N843 VanDerWaalsContact CB-CB 3.44Å; S816-N843 WeakPolarHBondContact O-CB 3.29Å; S816-N843 WeakPolarHBondContact OG-CB 3.31Å; S816-N843 PolarHBondContact OG-ND2 3.2Å; S816-N843 VanDerWaalsContact OG-ND2 3.17Å; S816-N846 WeakPolarHBondContact O-CB 3.47Å; S816-N846 PolarHBondContact O-ND2 3.23Å
817S91.6Very high93.6Very high51 Ų5137.7 Ų37.736%0.35719%0.194SC..SBendtrans-62-24.9-173.555.70000116K813 S814 N846K813-S817 WeakPolarHBondContact O-CA 3.32Å; K813-S817 WeakPolarHBondContact O-CB 3.46Å; K813-S817 PolarHBondContact O-N 3.32Å; K813-S817 PolarHBondContact O-OG 3.24Å; K813-S817 VanDerWaalsContact O-OG 3.13Å; S814-S817 PolarHBondContact O-OG 3.04Å; S817-N846 PolarHBondContact O-ND2 3.24Å
818E91.8Very high93.5Very high105 Ų10537.8 Ų37.849%0.49119%0.194SC..SBendtrans-132.6151.9-179.3-68.1179.4-172.400110.3K791 S816 C820K791-E818 IonicContact NZ-OE2 3.75Å; K791-E818 PolarHBondContact NZ-OE2 3.47Å; S816-E818 VanDerWaalsContact C-N 3.26Å; S816-E818 PolarHBondContact O-N 2.82Å; E818-C820 PolarHBondContact O-N 2.85Å
819P90.6Very high93.3Very high108 Ų10839.8 Ų39.870%0.70121%0.208SC*.  trans-53.7129.1174.2-25.633.8000111.9N846P819-N846 WeakPolarHBondContact CA-O 3.37Å
820C86.8Confident93Very high32 Ų3239.1 Ų39.122%0.21620%0.204CC..  trans-141.2164.1-17973.80000113.2E818 L822 N846 L847E818-C820 PolarHBondContact O-N 2.85Å; C820-L822 PolarHBondContact O-N 3.12Å; C820-L822 VanDerWaalsContact SG-CD1 3.57Å; C820-L822 VanDerWaalsContact SG-CG 3.58Å; C820-N846 PolarHBondContact N-O 3.3Å; C820-N846 VanDerWaalsContact N-O 3.13Å; C820-L847 WeakPolarHBondContact SG-CD2 3.31Å
821D91.3Very high92.5Very high77 Ų7737 Ų3741%0.41221%0.205SC..  trans-91.325.3-179.4-68.8-26.7000112.6M793 E823 K849M793-D821 CarbonylContact O-C 3.52Å; D821-E823 PolarHBondContact O-N 3.04Å; D821-K849 HydrophobicContact CB-CD 4.4Å; D821-K849 WeakPolarHBondContact OD1-CE 3.04Å; D821-K849 IonicContact OD1-NZ 2.66Å; D821-K849 PolarHBondContact OD1-NZ 3.11Å; D821-K849 IonicContact OD2-NZ 3.87Å
822L93.7Very high92.3Very high5 Ų537.3 Ų37.33%0.02621%0.206CC..  trans-66.9122.4177.3-77.7173.1000110.4M793 F796 L815 C820 I825 L847 K849 L850M793-L822 HydrophobicContact CB-CD2 4Å; M793-L822 HydrophobicContact CG-CD2 3.65Å; M793-L822 HydrophobicContact SD-CD2 4.05Å; F796-L822 HydrophobicContact CB-CD2 4.28Å; L815-L822 HydrophobicContact CB-CD1 4.37Å; L815-L822 HydrophobicContact CD2-CD1 3.94Å; C820-L822 PolarHBondContact O-N 3.12Å; C820-L822 VanDerWaalsContact SG-CD1 3.57Å; C820-L822 VanDerWaalsContact SG-CG 3.58Å; L822-I825 HydrophobicContact CD1-CD1 4.09Å; L822-I825 HydrophobicContact CD1-CG1 4.26Å; L822-L847 HydrophobicContact CD1-CD2 4.35Å; L822-K849 CarbonylContact O-C 3.48Å; L822-L850 WeakPolarHBondContact O-CA 3.32Å; L822-L850 PolarHBondContact O-N 3.01Å
823E94.3Very high92.2Very high93 Ų9338.9 Ų38.944%0.43522%0.217SC..  trans-101-28.1176.8-64.5176.1-173.600111.3C794 D821 S851 I852C794-E823 HydrophobicContact CB-CG 4.5Å; C794-E823 PolarHBondContact O-N 3.13Å; D821-E823 PolarHBondContact O-N 3.04Å; E823-S851 PolarHBondContact O-N 3Å; E823-S851 PolarHBondContact O-OG 3.41Å; E823-I852 PolarHBondContact O-N 3.32Å
824E94Very high92.1Very high14 Ų1433.4 Ų33.47%0.06520%0.196CC..EExtended strand (participates in β ladder)trans-137.7126.5-177.6-55.5-172.5-168.800112.2N539 C794 L795 F796 I852N539-E824 PolarHBondContact ND2-OE1 3.12Å; N539-E824 PolarHBondContact OD1-OE1 3.16Å; C794-E824 PolarHBondContact O-N 3.46Å; L795-E824 HydrophobicContact CB-CB 4.34Å; L795-E824 WeakPolarHBondContact CD1-OE2 3.16Å; L795-E824 HydrophobicContact CG-CB 4.04Å; F796-E824 PolarHBondContact N-O 3.34Å; E824-I852 HydrophobicContact CB-CB 4.16Å; E824-I852 HydrophobicContact CG-CB 3.94Å; E824-I852 HydrophobicContact CG-CD1 3.97Å; E824-I852 HydrophobicContact CG-CG1 4.02Å
825I95.5Very high92Very high1 Ų136.9 Ų36.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-124.6123.7170.3-67.2172.2000108.3F796 L822 L827 L847 L850 I852 L853 D854F796-I825 WeakPolarHBondContact O-CA 3.49Å; L822-I825 HydrophobicContact CD1-CD1 4.09Å; L822-I825 HydrophobicContact CD1-CG1 4.26Å; I825-L827 HydrophobicContact CG2-CD1 4.15Å; I825-L827 HydrophobicContact CG2-CG 3.89Å; I825-L847 HydrophobicContact CD1-CD1 3.84Å; I825-L850 HydrophobicContact CB-CD1 4.06Å; I825-L850 HydrophobicContact CD1-CD1 3.85Å; I825-L850 HydrophobicContact CD1-CD2 4.3Å; I825-L850 HydrophobicContact CG1-CD1 3.69Å; I825-I852 PolarHBondContact N-O 2.89Å; I825-L853 HydrophobicContact CB-CD1 4.31Å; I825-L853 HydrophobicContact CG2-CD1 4.28Å; I825-D854 PolarHBondContact O-N 2.91Å
826Q94.4Very high92.1Very high27 Ų2736.2 Ų36.213%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-130.2108.3175.4-58.9-166-10.700110.3F796 R797 L798 I852 D854F796-Q826 PolarHBondContact O-N 2.97Å; R797-Q826 CarbonylContact C-O 3.52Å; R797-Q826 WeakPolarHBondContact CA-O 3.46Å; R797-Q826 HydrophobicContact CB-CB 4.25Å; R797-Q826 HydrophobicContact CG-CB 3.98Å; L798-Q826 PolarHBondContact N-O 3.35Å; Q826-I852 HydrophobicContact CG-CG2 4.44Å; Q826-D854 CarbonylContact C-O 3.58Å; Q826-D854 WeakPolarHBondContact CA-O 3.39Å; Q826-D854 HydrophobicContact CB-CB 4.17Å; Q826-D854 HydrophobicContact CG-CB 3.85Å
827L94.8Very high92.1Very high1 Ų136.2 Ų36.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-119.681179.3-58.4-180000107.6F796 L798 M808 V812 I825 L832 D854 L855 N858F796-L827 HydrophobicContact CD1-CD2 4.06Å; F796-L827 HydrophobicContact CE1-CD2 3.73Å; L798-L827 HydrophobicContact CB-CD2 3.79Å; L798-L827 WeakPolarHBondContact O-CA 3.44Å; M808-L827 HydrophobicContact SD-CD1 4.24Å; M808-L827 HydrophobicContact SD-CD2 4.25Å; V812-L827 HydrophobicContact CG2-CD1 3.7Å; I825-L827 HydrophobicContact CG2-CD1 4.15Å; I825-L827 HydrophobicContact CG2-CG 3.89Å; L827-L832 HydrophobicContact CD1-CD1 4.14Å; L827-D854 PolarHBondContact N-O 2.87Å; L827-L855 HydrophobicContact CB-CD2 3.9Å; L827-L855 HydrophobicContact CD1-CD2 4.02Å; L827-L855 HydrophobicContact CG-CD2 4.22Å; L827-L855 WeakPolarHBondContact O-CA 3.46Å; L827-N858 PolarHBondContact O-ND2 3.02Å
828V90.2Very high92.3Very high2 Ų235.5 Ų35.51%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-112.4124.9-168.7-177.20000110.7L798 T799 H800 C830 D854 S856 E857L798-V828 PolarHBondContact O-N 3.18Å; T799-V828 VanDerWaalsContact CA-O 3.23Å; T799-V828 WeakPolarHBondContact CA-O 3.14Å; T799-V828 HydrophobicContact CG2-CB 3.81Å; T799-V828 HydrophobicContact CG2-CG2 4.31Å; H800-V828 PolarHBondContact N-O 3.47Å; V828-C830 PolarHBondContact O-N 2.82Å; V828-D854 HydrophobicContact CG2-CB 4.21Å; V828-D854 VanDerWaalsContact CG2-CG 3.48Å; V828-D854 VanDerWaalsContact CG2-OD1 3.3Å; V828-D854 WeakPolarHBondContact CG2-OD1 3.28Å; V828-S856 WeakPolarHBondContact CA-O 3.3Å; V828-S856 WeakPolarHBondContact CG1-O 3.49Å; V828-E857 HydrophobicContact CG1-CB 3.98Å; V828-E857 HydrophobicContact CG1-CG 4.29Å
829S89.1Confident92.5Very high42 Ų4231.7 Ų31.729%0.29418%0.183SC..SBendtrans50.952.8-178.3-178.30000112.2H800 L801 S856H800-S829 CarbonylContact C-O 3.28Å; H800-S829 WeakPolarHBondContact CA-O 3.43Å; H800-S829 PolarHBondContact N-O 2.79Å; L801-S829 PolarHBondContact N-O 3.33Å; L801-S829 VanDerWaalsContact N-O 3.13Å; S829-S856 PolarHBondContact N-O 3.47Å
830C88.4Confident92.8Very high0 Ų026.8 Ų26.80%015%0.151CC..SBendtrans-131.936.3-172.165.20000112.9L801 I804 M808 V828 L832 N858L801-C830 HydrophobicContact CB-CB 4.05Å; L801-C830 HydrophobicContact CG-CB 4.27Å; I804-C830 WeakPolarHBondContact CD1-O 3.2Å; M808-C830 HydrophobicContact CE-CB 3.9Å; M808-C830 VanDerWaalsContact CE-O 3.26Å; M808-C830 WeakPolarHBondContact CE-O 3.38Å; M808-C830 VanDerWaalsContact CE-SG 3.56Å; V828-C830 PolarHBondContact O-N 2.82Å; C830-L832 VanDerWaalsContact C-N 3.28Å; C830-L832 PolarHBondContact O-N 3.17Å; C830-N858 PolarHBondContact N-OD1 2.87Å
831C85.9Confident93.3Very high64 Ų6425.4 Ų25.443%0.43214%0.142SC..  trans55.537.4-178.8-58.40000113.8I804 S833I804-C831 HydrophobicContact CD1-CB 4.39Å; I804-C831 HydrophobicContact CG1-CB 3.98Å; C831-S833 PolarHBondContact O-N 2.9Å
832L91.5Very high93.5Very high5 Ų526.8 Ų26.83%0.02615%0.146CC..  trans-64.5121.5178.1-171.369.3000110.9M808 V812 L827 C830 A836 V837 L855 N858M808-L832 HydrophobicContact CG-CD1 3.6Å; M808-L832 HydrophobicContact SD-CD1 4.48Å; V812-L832 HydrophobicContact CG2-CD1 4.23Å; L827-L832 HydrophobicContact CD1-CD1 4.14Å; C830-L832 VanDerWaalsContact C-N 3.28Å; C830-L832 PolarHBondContact O-N 3.17Å; L832-A836 HydrophobicContact CD1-CB 3.72Å; L832-A836 HydrophobicContact CG-CB 4.49Å; L832-V837 HydrophobicContact CD2-CG2 3.74Å; L832-V837 HydrophobicContact CG-CG2 4Å; L832-L855 HydrophobicContact CD2-CB 3.98Å; L832-L855 HydrophobicContact CD2-CD1 4.28Å; L832-L855 HydrophobicContact CD2-CD2 3.94Å; L832-L855 HydrophobicContact CD2-CG 4.28Å; L832-N858 HydrophobicContact CB-CB 3.69Å; L832-N858 WeakPolarHBondContact CB-OD1 3.38Å; L832-N858 HydrophobicContact CD2-CB 4.36Å; L832-N858 PolarHBondContact N-OD1 2.96Å
833S92.2Very high93.6Very high36 Ų3628.3 Ų28.325%0.25215%0.154SC..  trans-85.3160.7179.885.60000112.1D809 C831 N835 A836 V837D809-S833 PolarHBondContact OD1-OG 3.16Å; C831-S833 PolarHBondContact O-N 2.9Å; S833-N835 VanDerWaalsContact C-N 3.25Å; S833-N835 PolarHBondContact O-N 3.43Å; S833-N835 PolarHBondContact OG-N 3.45Å; S833-A836 PolarHBondContact O-N 3.1Å; S833-A836 PolarHBondContact OG-N 3.13Å; S833-V837 PolarHBondContact O-N 2.9Å
834A93.5Very high93.6Very high12 Ų1223.9 Ų23.910%0.09913%0.133CC..Hα-helixtrans-61.2-36.217100000111.7V837 K838 K862 A867A834-V837 PolarHBondContact O-N 2.72Å; A834-K838 WeakPolarHBondContact O-CG 3.44Å; A834-K838 PolarHBondContact O-N 3.4Å; A834-K862 WeakPolarHBondContact CB-O 3.46Å; A834-A867 HydrophobicContact CB-CB 4.04Å; A834-A867 VanDerWaalsContact O-CB 3.23Å; A834-A867 WeakPolarHBondContact O-CB 3.43Å
835N94.3Very high93.6Very high85 Ų8528.4 Ų28.446%0.45515%0.154SC..Hα-helixtrans-66.3-41177.9-172.852.9000112.1D809 S833 V837 K838 I839D809-N835 WeakPolarHBondContact OD2-CB 3.21Å; D809-N835 PolarHBondContact OD2-ND2 2.96Å; S833-N835 VanDerWaalsContact C-N 3.25Å; S833-N835 PolarHBondContact O-N 3.43Å; S833-N835 PolarHBondContact OG-N 3.45Å; N835-V837 VanDerWaalsContact C-N 3.29Å; N835-V837 PolarHBondContact O-N 3.15Å; N835-K838 PolarHBondContact O-N 3.49Å; N835-K838 VanDerWaalsContact O-N 3.16Å; N835-I839 VanDerWaalsContact O-CG1 3.32Å; N835-I839 WeakPolarHBondContact O-CG1 3.25Å; N835-I839 PolarHBondContact O-N 2.96Å
836A95.1Very high93.6Very high0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-57.6-42.9172.800000111.6M808 D809 V812 L832 S833 I839 L840M808-A836 HydrophobicContact CG-CB 4.42Å; D809-A836 WeakPolarHBondContact OD1-CB 3.14Å; V812-A836 HydrophobicContact CB-CB 4.37Å; V812-A836 WeakPolarHBondContact CG1-O 3.4Å; V812-A836 HydrophobicContact CG2-CB 4.15Å; L832-A836 HydrophobicContact CD1-CB 3.72Å; L832-A836 HydrophobicContact CG-CB 4.49Å; S833-A836 PolarHBondContact O-N 3.1Å; S833-A836 PolarHBondContact OG-N 3.13Å; A836-I839 PolarHBondContact O-N 3.39Å; A836-L840 PolarHBondContact O-N 3.02Å
837V96.2Very high93.7Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-63.9-41.5176176.90000111.5L832 S833 A834 N835 L840 A841 L860 A867 L871L832-V837 HydrophobicContact CD2-CG2 3.74Å; L832-V837 HydrophobicContact CG-CG2 4Å; S833-V837 PolarHBondContact O-N 2.9Å; A834-V837 PolarHBondContact O-N 2.72Å; N835-V837 VanDerWaalsContact C-N 3.29Å; N835-V837 PolarHBondContact O-N 3.15Å; V837-L840 WeakPolarHBondContact O-CB 3.48Å; V837-L840 PolarHBondContact O-N 3.39Å; V837-A841 WeakPolarHBondContact O-CB 3.41Å; V837-A841 PolarHBondContact O-N 3.15Å; V837-L860 HydrophobicContact CG2-CD1 4.26Å; V837-L860 HydrophobicContact CG2-CD2 3.89Å; V837-A867 HydrophobicContact CB-CB 4.06Å; V837-A867 HydrophobicContact CG1-CB 4.06Å; V837-A867 WeakPolarHBondContact CG1-O 3.49Å; V837-L871 HydrophobicContact CG1-CB 4.08Å; V837-L871 HydrophobicContact CG1-CD2 4.11Å
838K95.5Very high93.6Very high36 Ų3631.4 Ų31.416%0.15717%0.174CC..Hα-helixtrans-60.6-46.1173.8-67.8-172.6-179.3-171.90111.8A834 N835 L840 A841 Q842 E866 A867 E870A834-K838 WeakPolarHBondContact O-CG 3.44Å; A834-K838 PolarHBondContact O-N 3.4Å; N835-K838 PolarHBondContact O-N 3.49Å; N835-K838 VanDerWaalsContact O-N 3.16Å; K838-L840 VanDerWaalsContact C-N 3.32Å; K838-L840 PolarHBondContact O-N 3.4Å; K838-A841 WeakPolarHBondContact O-CB 3.23Å; K838-A841 PolarHBondContact O-N 3.5Å; K838-Q842 VanDerWaalsContact O-CG 3.3Å; K838-Q842 WeakPolarHBondContact O-CG 3.44Å; K838-Q842 PolarHBondContact O-N 2.87Å; K838-E866 IonicContact NZ-OE1 3.91Å; K838-E866 PolarHBondContact NZ-OE1 2.91Å; K838-E866 IonicContact NZ-OE2 3.81Å; K838-E866 PolarHBondContact NZ-OE2 3.15Å; K838-A867 HydrophobicContact CD-CB 4.38Å; K838-A867 HydrophobicContact CG-CB 3.58Å; K838-E870 WeakPolarHBondContact CG-OE2 3.34Å
839I96.3Very high93.8Very high25 Ų2535.2 Ų35.213%0.12819%0.19CC..Hα-helixtrans-58.5-44.8176.3-67.8165.6000110.7D809 V812 K813 N835 A836 Q842 N843D809-I839 HydrophobicContact CB-CD1 4.16Å; V812-I839 HydrophobicContact CG1-CB 4.48Å; V812-I839 HydrophobicContact CG1-CG2 4.26Å; K813-I839 HydrophobicContact CB-CG2 3.95Å; K813-I839 HydrophobicContact CG-CG2 4.41Å; N835-I839 VanDerWaalsContact O-CG1 3.32Å; N835-I839 WeakPolarHBondContact O-CG1 3.25Å; N835-I839 PolarHBondContact O-N 2.96Å; A836-I839 PolarHBondContact O-N 3.39Å; I839-Q842 PolarHBondContact O-N 3.01Å; I839-N843 WeakPolarHBondContact O-CB 3.31Å; I839-N843 PolarHBondContact O-N 2.96Å; I839-N843 VanDerWaalsContact O-N 3.16Å; I839-N843 PolarHBondContact O-ND2 2.98Å
840L96.6Very high94Very high6 Ų633.2 Ų33.23%0.03118%0.176CC..Hα-helixtrans-60.7-45.3177-175.862.3000111.4V812 A836 V837 K838 N843 L844 L847 L853 L855 L871V812-L840 HydrophobicContact CG1-CB 3.71Å; V812-L840 HydrophobicContact CG1-CD1 4.27Å; A836-L840 PolarHBondContact O-N 3.02Å; V837-L840 WeakPolarHBondContact O-CB 3.48Å; V837-L840 PolarHBondContact O-N 3.39Å; K838-L840 VanDerWaalsContact C-N 3.32Å; K838-L840 PolarHBondContact O-N 3.4Å; L840-N843 CarbonylContact O-C 3.59Å; L840-N843 PolarHBondContact O-N 3.09Å; L840-L844 HydrophobicContact CD1-CD1 4.43Å; L840-L844 HydrophobicContact CG-CD1 4.38Å; L840-L844 WeakPolarHBondContact O-CA 3.32Å; L840-L844 WeakPolarHBondContact O-CB 3.29Å; L840-L844 PolarHBondContact O-N 2.8Å; L840-L847 HydrophobicContact CD1-CD1 3.59Å; L840-L853 HydrophobicContact CD2-CD1 4.05Å; L840-L855 HydrophobicContact CD2-CD1 3.99Å; L840-L855 HydrophobicContact CD2-CD2 4.42Å; L840-L871 HydrophobicContact CD2-CD1 4.41Å; L840-L871 HydrophobicContact CG-CD1 4.45Å
841A95.8Very high94.2Very high2 Ų234.1 Ų34.12%0.01718%0.182CC..Hα-helixtrans-61.3-45.4179.300000112.2V837 K838 N843 L844 E870 L871V837-A841 WeakPolarHBondContact O-CB 3.41Å; V837-A841 PolarHBondContact O-N 3.15Å; K838-A841 WeakPolarHBondContact O-CB 3.23Å; K838-A841 PolarHBondContact O-N 3.5Å; A841-N843 VanDerWaalsContact C-N 3.25Å; A841-N843 PolarHBondContact O-N 2.81Å; A841-L844 PolarHBondContact O-N 2.89Å; A841-E870 HydrophobicContact CB-CB 4.28Å; A841-E870 HydrophobicContact CB-CG 3.88Å; A841-L871 HydrophobicContact CB-CB 4.07Å; A841-L871 HydrophobicContact CB-CD1 4.22Å
842Q95.6Very high94.6Very high107 Ų10731.5 Ų31.550%0.516%0.164SC..Hα-helixtrans-61.3-36.3178.8-71.3170.77.600112.1K838 I839 H845 E870K838-Q842 VanDerWaalsContact O-CG 3.3Å; K838-Q842 WeakPolarHBondContact O-CG 3.44Å; K838-Q842 PolarHBondContact O-N 2.87Å; I839-Q842 PolarHBondContact O-N 3.01Å; Q842-H845 PolarHBondContact O-CE1 2.87Å; Q842-H845 PolarHBondContact O-ND1 3.17Å; Q842-E870 WeakPolarHBondContact CG-OE1 3.16Å; Q842-E870 PolarHBondContact NE2-OE1 2.65Å
843N96.3Very high94.8Very high36 Ų3631.2 Ų31.219%0.19316%0.163CC..THydrogen-bonded Turntrans-100.76.7-175.4-68.6-22.4000114.1S816 I839 L840 A841 H845 N846S816-N843 VanDerWaalsContact CB-CB 3.44Å; S816-N843 WeakPolarHBondContact O-CB 3.29Å; S816-N843 WeakPolarHBondContact OG-CB 3.31Å; S816-N843 PolarHBondContact OG-ND2 3.2Å; S816-N843 VanDerWaalsContact OG-ND2 3.17Å; I839-N843 WeakPolarHBondContact O-CB 3.31Å; I839-N843 PolarHBondContact O-N 2.96Å; I839-N843 VanDerWaalsContact O-N 3.16Å; I839-N843 PolarHBondContact O-ND2 2.98Å; L840-N843 CarbonylContact O-C 3.59Å; L840-N843 PolarHBondContact O-N 3.09Å; A841-N843 VanDerWaalsContact C-N 3.25Å; A841-N843 PolarHBondContact O-N 2.81Å; N843-H845 PolarHBondContact O-N 3.11Å; N843-N846 WeakPolarHBondContact O-CB 3.44Å; N843-N846 PolarHBondContact O-N 2.95Å
844L95.3Very high94.9Very high1 Ų130.6 Ų30.61%0.00516%0.156CC..G310 helixtrans-60.6-25.4-173.6-159.864000113L840 A841 N846 L847 L871 R874 L878L840-L844 HydrophobicContact CD1-CD1 4.43Å; L840-L844 HydrophobicContact CG-CD1 4.38Å; L840-L844 WeakPolarHBondContact O-CA 3.32Å; L840-L844 WeakPolarHBondContact O-CB 3.29Å; L840-L844 PolarHBondContact O-N 2.8Å; A841-L844 PolarHBondContact O-N 2.89Å; L844-N846 PolarHBondContact O-N 3.27Å; L844-L847 HydrophobicContact CD1-CD1 4.29Å; L844-L847 PolarHBondContact O-N 2.8Å; L844-L871 HydrophobicContact CD2-CD1 4.19Å; L844-R874 HydrophobicContact CD2-CB 3.96Å; L844-R874 WeakPolarHBondContact CD2-O 3.08Å; L844-L878 HydrophobicContact CD1-CD1 4.12Å; L844-L878 HydrophobicContact CD1-CD2 4.2Å; L844-L878 HydrophobicContact CD1-CG 4.42Å; L844-L878 HydrophobicContact CD2-CD1 4.13Å; L844-L878 HydrophobicContact CD2-CD2 4.47Å; L844-L878 HydrophobicContact CD2-CG 4.06Å; L844-L878 HydrophobicContact CG-CD1 4.31Å; L844-L878 HydrophobicContact CG-CD2 3.99Å; L844-L878 HydrophobicContact CG-CG 4.13Å
845H93.8Very high95Very high109 Ų10930.1 Ų30.151%0.50515%0.152SC..G310 helixtrans-62.6-16.6174.466-87.3000114.9Q842 N843 V848 V877Q842-H845 PolarHBondContact O-CE1 2.87Å; Q842-H845 PolarHBondContact O-ND1 3.17Å; N843-H845 PolarHBondContact O-N 3.11Å; H845-V848 WeakPolarHBondContact O-CG1 3.43Å; H845-V877 HydrophobicContact CB-CG1 4.33Å
846N95.6Very high94.9Very high20 Ų2026.6 Ų26.611%0.10713%0.134CC..G310 helixtrans-86.3-10.9172.8-68.7-32.8000112.8S816 S817 P819 C820 N843 L844S816-N846 WeakPolarHBondContact O-CB 3.47Å; S816-N846 PolarHBondContact O-ND2 3.23Å; S817-N846 PolarHBondContact O-ND2 3.24Å; P819-N846 WeakPolarHBondContact CA-O 3.37Å; C820-N846 PolarHBondContact N-O 3.3Å; C820-N846 VanDerWaalsContact N-O 3.13Å; N843-N846 WeakPolarHBondContact O-CB 3.44Å; N843-N846 PolarHBondContact O-N 2.95Å; L844-N846 PolarHBondContact O-N 3.27Å
847L94.8Very high94.6Very high0 Ų028.9 Ų28.90%015%0.145CC..  trans-111.433.5-173-56.4-179.7000112.3C820 L822 I825 L840 L844 K849 L850 L878C820-L847 WeakPolarHBondContact SG-CD2 3.31Å; L822-L847 HydrophobicContact CD1-CD2 4.35Å; I825-L847 HydrophobicContact CD1-CD1 3.84Å; L840-L847 HydrophobicContact CD1-CD1 3.59Å; L844-L847 HydrophobicContact CD1-CD1 4.29Å; L844-L847 PolarHBondContact O-N 2.8Å; L847-K849 PolarHBondContact O-N 2.83Å; L847-L850 HydrophobicContact CB-CB 4.35Å; L847-L850 WeakPolarHBondContact O-CB 3.41Å; L847-L850 PolarHBondContact O-N 3.42Å; L847-L878 VanDerWaalsContact O-CD2 3.22Å; L847-L878 WeakPolarHBondContact O-CD2 3.29Å
848V93.4Very high94.4Very high72 Ų7229.1 Ų29.144%0.43615%0.146SC..THydrogen-bonded Turntrans-60.7-21.5-172.4-61.90000115H845 L850 V877H845-V848 WeakPolarHBondContact O-CG1 3.43Å; V848-L850 VanDerWaalsContact C-N 3.28Å; V848-V877 HydrophobicContact CG1-CG1 3.91Å
849K93.7Very high94.3Very high82 Ų8232.4 Ų32.436%0.35716%0.158SC..THydrogen-bonded Turntrans-83.5-2.8176.2-64.8-168.7-178172.60113.3D821 L822 L847 S851D821-K849 HydrophobicContact CB-CD 4.4Å; D821-K849 WeakPolarHBondContact OD1-CE 3.04Å; D821-K849 IonicContact OD1-NZ 2.66Å; D821-K849 PolarHBondContact OD1-NZ 3.11Å; D821-K849 IonicContact OD2-NZ 3.87Å; L822-K849 CarbonylContact O-C 3.48Å; L847-K849 PolarHBondContact O-N 2.83Å; K849-S851 PolarHBondContact O-N 2.85Å
850L94.6Very high94.1Very high0 Ų031.2 Ų31.20%015%0.152CC..  trans-65.7119.2-176.4-164.472.9000110.2L822 I825 L847 V848 I852 L853 L878L822-L850 WeakPolarHBondContact O-CA 3.32Å; L822-L850 PolarHBondContact O-N 3.01Å; I825-L850 HydrophobicContact CB-CD1 4.06Å; I825-L850 HydrophobicContact CD1-CD1 3.85Å; I825-L850 HydrophobicContact CD1-CD2 4.3Å; I825-L850 HydrophobicContact CG1-CD1 3.69Å; L847-L850 HydrophobicContact CB-CB 4.35Å; L847-L850 WeakPolarHBondContact O-CB 3.41Å; L847-L850 PolarHBondContact O-N 3.42Å; V848-L850 VanDerWaalsContact C-N 3.28Å; L850-I852 WeakPolarHBondContact CD1-O 3.1Å; L850-L853 HydrophobicContact CD2-CB 3.91Å; L850-L853 HydrophobicContact CD2-CD1 4.07Å; L850-L853 HydrophobicContact CD2-CD2 4.5Å; L850-L853 HydrophobicContact CD2-CG 4.37Å; L850-L878 HydrophobicContact CB-CD1 4.45Å; L850-L878 HydrophobicContact CB-CD2 3.98Å; L850-L878 HydrophobicContact CD2-CD1 4.05Å
851S93.1Very high93.4Very high19 Ų1938.2 Ų38.213%0.13319%0.185CC..  trans-105.7-24.7178.372.10000112.3E823 K849 Q880 T882 A883E823-S851 PolarHBondContact O-N 3Å; E823-S851 PolarHBondContact O-OG 3.41Å; K849-S851 PolarHBondContact O-N 2.85Å; S851-Q880 WeakPolarHBondContact CA-O 3.35Å; S851-Q880 WeakPolarHBondContact CB-O 3.36Å; S851-T882 PolarHBondContact O-N 3.33Å; S851-T882 PolarHBondContact O-OG1 3.42Å; S851-T882 VanDerWaalsContact O-OG1 3.08Å; S851-A883 PolarHBondContact O-N 3.16Å; S851-A883 VanDerWaalsContact O-N 3.09Å
852I93.3Very high92.8Very high8 Ų846.8 Ų46.84%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-129.3120.9177.8-56.9-170.4000109.4N539 E823 E824 I825 Q826 L850 A883N539-I852 VanDerWaalsContact OD1-CD1 3.28Å; N539-I852 WeakPolarHBondContact OD1-CD1 3.4Å; E823-I852 PolarHBondContact O-N 3.32Å; E824-I852 HydrophobicContact CB-CB 4.16Å; E824-I852 HydrophobicContact CG-CB 3.94Å; E824-I852 HydrophobicContact CG-CD1 3.97Å; E824-I852 HydrophobicContact CG-CG1 4.02Å; I825-I852 PolarHBondContact N-O 2.89Å; Q826-I852 HydrophobicContact CG-CG2 4.44Å; L850-I852 WeakPolarHBondContact CD1-O 3.1Å; I852-A883 HydrophobicContact CB-CB 4.33Å; I852-A883 HydrophobicContact CD1-CB 4.49Å; I852-A883 HydrophobicContact CG1-CB 4.01Å; I852-A883 HydrophobicContact CG2-CB 4.04Å
853L96Very high92.3Very high0 Ų046.7 Ų46.70%022%0.224CC..EExtended strand (participates in β ladder)trans-122.8107.8169.9-179.159.6000109.2I825 L840 L850 L855 L871 L881 A883 L884 M885I825-L853 HydrophobicContact CB-CD1 4.31Å; I825-L853 HydrophobicContact CG2-CD1 4.28Å; L840-L853 HydrophobicContact CD2-CD1 4.05Å; L850-L853 HydrophobicContact CD2-CB 3.91Å; L850-L853 HydrophobicContact CD2-CD1 4.07Å; L850-L853 HydrophobicContact CD2-CD2 4.5Å; L850-L853 HydrophobicContact CD2-CG 4.37Å; L853-L855 HydrophobicContact CD1-CD1 4.22Å; L853-L855 HydrophobicContact CD1-CD2 3.9Å; L853-L855 HydrophobicContact CD1-CG 3.88Å; L853-L855 HydrophobicContact CD2-CD1 4.49Å; L853-L855 HydrophobicContact CG-CD1 4.39Å; L853-L855 HydrophobicContact CG-CG 4.16Å; L853-L871 HydrophobicContact CD2-CD1 4.49Å; L853-L871 HydrophobicContact CD2-CD2 4.45Å; L853-L881 HydrophobicContact CB-CD1 4.3Å; L853-A883 PolarHBondContact N-O 3.23Å; L853-L884 HydrophobicContact CB-CD1 4.24Å; L853-L884 HydrophobicContact CD2-CD1 4.16Å; L853-L884 HydrophobicContact CG-CD1 4.4Å; L853-L884 WeakPolarHBondContact O-CA 3.36Å; L853-M885 PolarHBondContact O-N 2.95Å
854D94.9Very high91.9Very high23 Ų2345.1 Ų45.112%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-117.5108176-167.1-18.8000110.4I825 Q826 L827 V828 S856 M885I825-D854 PolarHBondContact O-N 2.91Å; Q826-D854 CarbonylContact C-O 3.58Å; Q826-D854 WeakPolarHBondContact CA-O 3.39Å; Q826-D854 HydrophobicContact CB-CB 4.17Å; Q826-D854 HydrophobicContact CG-CB 3.85Å; L827-D854 PolarHBondContact N-O 2.87Å; V828-D854 HydrophobicContact CG2-CB 4.21Å; V828-D854 VanDerWaalsContact CG2-CG 3.48Å; V828-D854 VanDerWaalsContact CG2-OD1 3.3Å; V828-D854 WeakPolarHBondContact CG2-OD1 3.28Å; D854-S856 WeakPolarHBondContact OD1-CB 3.4Å; D854-S856 PolarHBondContact OD1-N 3.22Å; D854-S856 PolarHBondContact OD1-OG 3.29Å; D854-M885 HydrophobicContact CB-CB 4.17Å; D854-M885 HydrophobicContact CB-CG 4.3Å; D854-M885 VanDerWaalsContact OD1-CB 3.26Å; D854-M885 WeakPolarHBondContact OD1-CB 3.29Å
855L95.8Very high91.6Very high1 Ų147.4 Ų47.41%0.00523%0.229CC..  trans-114.615.1176.1-57.8-178.6000111L827 L832 L840 L853 N858 L871 M885 P887L827-L855 HydrophobicContact CB-CD2 3.9Å; L827-L855 HydrophobicContact CD1-CD2 4.02Å; L827-L855 HydrophobicContact CG-CD2 4.22Å; L827-L855 WeakPolarHBondContact O-CA 3.46Å; L832-L855 HydrophobicContact CD2-CB 3.98Å; L832-L855 HydrophobicContact CD2-CD1 4.28Å; L832-L855 HydrophobicContact CD2-CD2 3.94Å; L832-L855 HydrophobicContact CD2-CG 4.28Å; L840-L855 HydrophobicContact CD2-CD1 3.99Å; L840-L855 HydrophobicContact CD2-CD2 4.42Å; L853-L855 HydrophobicContact CD1-CD1 4.22Å; L853-L855 HydrophobicContact CD1-CD2 3.9Å; L853-L855 HydrophobicContact CD1-CG 3.88Å; L853-L855 HydrophobicContact CD2-CD1 4.49Å; L853-L855 HydrophobicContact CG-CD1 4.39Å; L853-L855 HydrophobicContact CG-CG 4.16Å; L855-N858 PolarHBondContact O-ND2 2.98Å; L855-L871 HydrophobicContact CD1-CD2 3.84Å; L855-M885 PolarHBondContact N-O 3.04Å; L855-P887 HydrophobicContact CB-CB 4.46Å; L855-P887 HydrophobicContact CB-CG 4.34Å; L855-P887 WeakPolarHBondContact O-CA 3.28Å; L855-P887 WeakPolarHBondContact O-CB 3.27Å
856S90.9Very high91.6Very high11 Ų1147.4 Ų47.48%0.07723%0.229CC..THydrogen-bonded Turntrans-64.8164.5-17164.70000113.2V828 S829 D854 N858V828-S856 WeakPolarHBondContact CA-O 3.3Å; V828-S856 WeakPolarHBondContact CG1-O 3.49Å; S829-S856 PolarHBondContact N-O 3.47Å; D854-S856 WeakPolarHBondContact OD1-CB 3.4Å; D854-S856 PolarHBondContact OD1-N 3.22Å; D854-S856 PolarHBondContact OD1-OG 3.29Å; S856-N858 PolarHBondContact O-N 3.07Å; S856-N858 PolarHBondContact O-ND2 3.17Å
857E89.4Confident91.5Very high49 Ų4946.4 Ų46.423%0.22922%0.224CC..THydrogen-bonded Turntrans60.113.5179.2-60.3-178.3-171.200115.5R530 V828 K915R530-E857 IonicContact CZ-OE1 3.59Å; R530-E857 IonicContact CZ-OE2 3.74Å; R530-E857 IonicContact NH1-OE1 2.71Å; R530-E857 IonicContact NH1-OE2 3.67Å; R530-E857 PolarHBondContact NH1-OE2 3Å; R530-E857 IonicContact NH2-OE1 3.84Å; R530-E857 PolarHBondContact NH2-OE1 3.06Å; R530-E857 IonicContact NH2-OE2 3.53Å; R530-E857 PolarHBondContact NH2-OE2 3.26Å; V828-E857 HydrophobicContact CG1-CB 3.98Å; V828-E857 HydrophobicContact CG1-CG 4.29Å; E857-K915 HydrophobicContact CG-CD 4.04Å; E857-K915 IonicContact OE1-NZ 2.9Å; E857-K915 PolarHBondContact OE1-NZ 3.36Å
858N92.4Very high91.5Very high5 Ų546.4 Ų46.43%0.02722%0.224CC..  trans-96.3130.2165.9-62.7-73.6000110.3L827 C830 L832 L855 S856 P887 W888L827-N858 PolarHBondContact O-ND2 3.02Å; C830-N858 PolarHBondContact N-OD1 2.87Å; L832-N858 HydrophobicContact CB-CB 3.69Å; L832-N858 WeakPolarHBondContact CB-OD1 3.38Å; L832-N858 HydrophobicContact CD2-CB 4.36Å; L832-N858 PolarHBondContact N-OD1 2.96Å; L855-N858 PolarHBondContact O-ND2 2.98Å; S856-N858 PolarHBondContact O-N 3.07Å; S856-N858 PolarHBondContact O-ND2 3.17Å; N858-P887 HydrophobicContact CB-CB 4.2Å; N858-W888 PolarHBondContact O-N 2.9Å; N858-W888 PolarHBondContact O-NE1 3.14Å
859Y92.4Very high91.4Very high105 Ų10546.1 Ų46.141%0.41222%0.218SC..EExtended strand (participates in β ladder)trans-87.4115167.8178.3-112.5000108.8E861 W888Y859-E861 HydrophobicContact CD1-CG 4.26Å; Y859-E861 HydrophobicContact CE1-CG 4.26Å; Y859-W888 CarbonylContact C-O 3.59Å; Y859-W888 WeakPolarHBondContact CA-O 3.47Å; Y859-W888 AromaticContact CD2-CD2 3.98Å; Y859-W888 HydrophobicContact CD2-CD2 3.98Å; Y859-W888 AromaticContact CD2-CE3 3.57Å; Y859-W888 HydrophobicContact CD2-CE3 3.57Å; Y859-W888 AromaticContact CD2-CH2 3.35Å; Y859-W888 HydrophobicContact CD2-CH2 3.35Å; Y859-W888 AromaticContact CD2-CZ2 3.79Å; Y859-W888 HydrophobicContact CD2-CZ2 3.79Å; Y859-W888 AromaticContact CD2-CZ3 3.23Å; Y859-W888 HydrophobicContact CD2-CZ3 3.23Å; Y859-W888 HydrophobicContact CE2-CE3 4.12Å; Y859-W888 HydrophobicContact CE2-CH2 4.03Å; Y859-W888 AromaticContact CE2-CZ3 3.63Å; Y859-W888 HydrophobicContact CE2-CZ3 3.63Å; Y859-W888 AromaticContact CG-CH2 3.92Å; Y859-W888 HydrophobicContact CG-CH2 3.92Å; Y859-W888 HydrophobicContact CG-CZ2 4.05Å; Y859-W888 HydrophobicContact CG-CZ3 4.24Å
860L91.7Very high91.5Very high0 Ų044.6 Ų44.60%021%0.212CC..EExtended strand (participates in β ladder)trans-81.1123.6171.6-53.7-177.1000108.4V837 G864 P887 W888V837-L860 HydrophobicContact CG2-CD1 4.26Å; V837-L860 HydrophobicContact CG2-CD2 3.89Å; L860-G864 WeakPolarHBondContact CD1-O 3.34Å; L860-P887 HydrophobicContact CD1-CB 4.13Å; L860-P887 HydrophobicContact CD1-CG 3.69Å; L860-P887 HydrophobicContact CD2-CB 4.1Å; L860-P887 HydrophobicContact CD2-CG 4.31Å; L860-P887 HydrophobicContact CG-CB 3.95Å; L860-P887 HydrophobicContact CG-CG 4.09Å; L860-W888 PolarHBondContact N-O 3Å
861E83.6Confident91.5Very high153 Ų15344.6 Ų44.672%0.71521%0.212SC*.  trans-73.3-131.6179.2-58.7-171.7172.200111.7Y859 G864Y859-E861 HydrophobicContact CD1-CG 4.26Å; Y859-E861 HydrophobicContact CE1-CG 4.26Å; E861-G864 PolarHBondContact O-N 3.47Å
862K82.6Confident91.6Very high181 Ų18143.7 Ų43.779%0.78721%0.206SC*.THydrogen-bonded Turntrans-60.2143.6178.8-65.5-177.3-178.1175.90110.6A834 G864A834-K862 WeakPolarHBondContact CB-O 3.46Å; K862-G864 PolarHBondContact O-N 3.03Å; K862-G864 VanDerWaalsContact O-N 3.13Å
863D85.4Confident91.6Very high105 Ų10547.3 Ų47.356%0.56123%0.225SC*.THydrogen-bonded Turntrans60.417.5179.9-47.6-36000115N865 E866 A867D863-N865 PolarHBondContact O-N 3.34Å; D863-E866 PolarHBondContact O-N 3.37Å; D863-A867 PolarHBondContact O-N 3.46Å
864G87.6Confident91.4Very high4 Ų454.2 Ų54.24%0.04125%0.251CS..Hα-helixtrans-60.3-40-179.900000114.1L860 E861 K862 A867 L868L860-G864 WeakPolarHBondContact CD1-O 3.34Å; E861-G864 PolarHBondContact O-N 3.47Å; K862-G864 PolarHBondContact O-N 3.03Å; K862-G864 VanDerWaalsContact O-N 3.13Å; G864-A867 PolarHBondContact O-N 3.07Å; G864-L868 WeakPolarHBondContact O-CB 3.4Å; G864-L868 PolarHBondContact O-N 3.17Å
865N89.7Confident91.3Very high49 Ų4953.1 Ų53.126%0.26225%0.246SC..Hα-helixtrans-65.5-42177-17322000112D863 L868 H869 D891 S895D863-N865 PolarHBondContact O-N 3.34Å; N865-L868 PolarHBondContact O-N 2.93Å; N865-H869 WeakPolarHBondContact O-CB 3.29Å; N865-H869 PolarHBondContact O-N 2.82Å; N865-D891 PolarHBondContact ND2-O 3.31Å; N865-S895 PolarHBondContact OD1-OG 3.36Å
866E92.3Very high90.9Very high108 Ų10856.1 Ų56.151%0.50526%0.261SS..Hα-helixtrans-61.8-46.6177.2-170.8-161158.500111K838 D863 L868 H869 E870K838-E866 IonicContact NZ-OE1 3.91Å; K838-E866 PolarHBondContact NZ-OE1 2.91Å; K838-E866 IonicContact NZ-OE2 3.81Å; K838-E866 PolarHBondContact NZ-OE2 3.15Å; D863-E866 PolarHBondContact O-N 3.37Å; E866-L868 VanDerWaalsContact C-N 3.32Å; E866-L868 PolarHBondContact O-N 2.95Å; E866-H869 WeakPolarHBondContact O-CB 3Å; E866-H869 PolarHBondContact O-N 3.03Å; E866-E870 PolarHBondContact O-N 3.07Å
867A94Very high90.9Very high0 Ų058.1 Ų58.10%027%0.273CS..Hα-helixtrans-60.2-42.4177.100000112.4A834 V837 K838 D863 G864 E870 L871A834-A867 HydrophobicContact CB-CB 4.04Å; A834-A867 VanDerWaalsContact O-CB 3.23Å; A834-A867 WeakPolarHBondContact O-CB 3.43Å; V837-A867 HydrophobicContact CB-CB 4.06Å; V837-A867 HydrophobicContact CG1-CB 4.06Å; V837-A867 WeakPolarHBondContact CG1-O 3.49Å; K838-A867 HydrophobicContact CD-CB 4.38Å; K838-A867 HydrophobicContact CG-CB 3.58Å; D863-A867 PolarHBondContact O-N 3.46Å; G864-A867 PolarHBondContact O-N 3.07Å; A867-E870 PolarHBondContact O-N 3.4Å; A867-L871 PolarHBondContact O-N 2.88Å
868L94.5Very high91Very high0 Ų055.8 Ų55.80%026%0.262CS..Hα-helixtrans-65.6-39.6176.5-176.964.3000111.7G864 N865 E866 L871 I872 L886 P887 V892 W917G864-L868 WeakPolarHBondContact O-CB 3.4Å; G864-L868 PolarHBondContact O-N 3.17Å; N865-L868 PolarHBondContact O-N 2.93Å; E866-L868 VanDerWaalsContact C-N 3.32Å; E866-L868 PolarHBondContact O-N 2.95Å; L868-L871 PolarHBondContact O-N 3.01Å; L868-I872 HydrophobicContact CD1-CD1 4.34Å; L868-I872 HydrophobicContact CG-CD1 3.89Å; L868-I872 WeakPolarHBondContact O-CB 3.44Å; L868-I872 WeakPolarHBondContact O-CD1 3.42Å; L868-I872 VanDerWaalsContact O-CG1 3.24Å; L868-I872 WeakPolarHBondContact O-CG1 3.36Å; L868-I872 PolarHBondContact O-N 3.48Å; L868-L886 HydrophobicContact CD1-CB 4.37Å; L868-L886 HydrophobicContact CD1-CD1 4.33Å; L868-L886 HydrophobicContact CD1-CD2 3.97Å; L868-L886 HydrophobicContact CD1-CG 4.45Å; L868-P887 HydrophobicContact CD1-CG 4.19Å; L868-V892 HydrophobicContact CD2-CB 3.74Å; L868-V892 HydrophobicContact CD2-CG1 3.7Å; L868-W917 HydrophobicContact CD1-CZ2 4.44Å; L868-W917 HydrophobicContact CD2-CH2 3.76Å; L868-W917 HydrophobicContact CD2-CZ2 3.57Å
869H92.2Very high90.8Very high65 Ų6563.2 Ų63.230%0.30130%0.297SS..Hα-helixtrans-62.8-43.7176.3-134.5-62.4000111.4N865 E866 L871 I872 D873 S895N865-H869 WeakPolarHBondContact O-CB 3.29Å; N865-H869 PolarHBondContact O-N 2.82Å; E866-H869 WeakPolarHBondContact O-CB 3Å; E866-H869 PolarHBondContact O-N 3.03Å; H869-L871 VanDerWaalsContact C-N 3.32Å; H869-L871 PolarHBondContact O-N 3.34Å; H869-I872 PolarHBondContact O-N 2.75Å; H869-D873 IonicContact ND1-OD1 3.07Å; H869-D873 IonicContact ND1-OD2 3.97Å; H869-D873 VanDerWaalsContact O-CG 3.3Å; H869-D873 PolarHBondContact O-N 2.77Å; H869-S895 PolarHBondContact CD2-OG 3.4Å
870E94.8Very high90.6Very high51 Ų5163.5 Ų63.524%0.23830%0.302CS..Hα-helixtrans-60.9-40.1175.7-169.4177.1174.400111.8K838 A841 Q842 E866 A867 R874K838-E870 WeakPolarHBondContact CG-OE2 3.34Å; A841-E870 HydrophobicContact CB-CB 4.28Å; A841-E870 HydrophobicContact CB-CG 3.88Å; Q842-E870 WeakPolarHBondContact CG-OE1 3.16Å; Q842-E870 PolarHBondContact NE2-OE1 2.65Å; E866-E870 PolarHBondContact O-N 3.07Å; A867-E870 PolarHBondContact O-N 3.4Å; E870-R874 WeakPolarHBondContact O-CG 3.5Å
871L95.9Very high90.7Very high0 Ų063.5 Ų63.50%030%0.302CS..Hα-helixtrans-64.5-46.6174-179.965.4000111.7V837 L840 A841 L844 L853 L855 A867 L868 H869 D873 R874 L875 L886V837-L871 HydrophobicContact CG1-CB 4.08Å; V837-L871 HydrophobicContact CG1-CD2 4.11Å; L840-L871 HydrophobicContact CD2-CD1 4.41Å; L840-L871 HydrophobicContact CG-CD1 4.45Å; A841-L871 HydrophobicContact CB-CB 4.07Å; A841-L871 HydrophobicContact CB-CD1 4.22Å; L844-L871 HydrophobicContact CD2-CD1 4.19Å; L853-L871 HydrophobicContact CD2-CD1 4.49Å; L853-L871 HydrophobicContact CD2-CD2 4.45Å; L855-L871 HydrophobicContact CD1-CD2 3.84Å; A867-L871 PolarHBondContact O-N 2.88Å; L868-L871 PolarHBondContact O-N 3.01Å; H869-L871 VanDerWaalsContact C-N 3.32Å; H869-L871 PolarHBondContact O-N 3.34Å; L871-D873 VanDerWaalsContact C-N 3.34Å; L871-D873 PolarHBondContact O-N 3.26Å; L871-R874 PolarHBondContact O-N 3.15Å; L871-R874 VanDerWaalsContact O-N 3.13Å; L871-L875 PolarHBondContact O-N 3.46Å; L871-L886 HydrophobicContact CD2-CD2 4.23Å
872I94.4Very high91Very high0 Ų058.4 Ų58.40%028%0.281CS..Hα-helixtrans-59.1-45.4-179.1-73.1164.6000111L868 H869 R874 L875 L899L868-I872 HydrophobicContact CD1-CD1 4.34Å; L868-I872 HydrophobicContact CG-CD1 3.89Å; L868-I872 WeakPolarHBondContact O-CB 3.44Å; L868-I872 WeakPolarHBondContact O-CD1 3.42Å; L868-I872 VanDerWaalsContact O-CG1 3.24Å; L868-I872 WeakPolarHBondContact O-CG1 3.36Å; L868-I872 PolarHBondContact O-N 3.48Å; H869-I872 PolarHBondContact O-N 2.75Å; I872-R874 PolarHBondContact O-N 3.07Å; I872-L875 HydrophobicContact CB-CD1 4.5Å; I872-L875 HydrophobicContact CG1-CD1 4.37Å; I872-L875 WeakPolarHBondContact O-CB 3.22Å; I872-L875 PolarHBondContact O-N 3.5Å; I872-L875 VanDerWaalsContact O-N 3.1Å; I872-L899 HydrophobicContact CD1-CB 4.12Å; I872-L899 HydrophobicContact CG1-CB 4.44Å; I872-L899 HydrophobicContact CG1-CD1 4.27Å; I872-L899 HydrophobicContact CG2-CB 4.2Å
873D92.4Very high91.5Very high83 Ų8350 Ų5044%0.44425%0.245SC..THydrogen-bonded Turntrans-65.2-10.6-179-69.1-11.1000113.3H869 L871 S898 H902H869-D873 IonicContact ND1-OD1 3.07Å; H869-D873 IonicContact ND1-OD2 3.97Å; H869-D873 VanDerWaalsContact O-CG 3.3Å; H869-D873 PolarHBondContact O-N 2.77Å; L871-D873 VanDerWaalsContact C-N 3.34Å; L871-D873 PolarHBondContact O-N 3.26Å; D873-S898 PolarHBondContact OD1-OG 3.06Å; D873-H902 IonicContact OD1-CE1 3.12Å
874R92.5Very high92Very high145 Ų14545 Ų4555%0.54722%0.218SC..THydrogen-bonded Turntrans-108.8-4.1178.3-61.4-63.3-173.6-175.6-0.2113.9L844 E870 L871 I872 N876 V877L844-R874 HydrophobicContact CD2-CB 3.96Å; L844-R874 WeakPolarHBondContact CD2-O 3.08Å; E870-R874 WeakPolarHBondContact O-CG 3.5Å; L871-R874 PolarHBondContact O-N 3.15Å; L871-R874 VanDerWaalsContact O-N 3.13Å; I872-R874 PolarHBondContact O-N 3.07Å; R874-N876 PolarHBondContact O-N 3.33Å; R874-N876 VanDerWaalsContact O-N 3.1Å; R874-V877 WeakPolarHBondContact O-CG2 3.27Å; R874-V877 PolarHBondContact O-N 3Å; R874-V877 VanDerWaalsContact O-N 3.12Å
875L91.9Very high92.3Very high1 Ų146 Ų461%0.00522%0.223CC..G310 helixtrans-59-27-175.9-74.5174.9000113.9L871 I872 V877 L878 L881 L884 L899L871-L875 PolarHBondContact O-N 3.46Å; I872-L875 HydrophobicContact CB-CD1 4.5Å; I872-L875 HydrophobicContact CG1-CD1 4.37Å; I872-L875 WeakPolarHBondContact O-CB 3.22Å; I872-L875 PolarHBondContact O-N 3.5Å; I872-L875 VanDerWaalsContact O-N 3.1Å; L875-V877 PolarHBondContact O-N 3.03Å; L875-L878 HydrophobicContact CD2-CD1 4.46Å; L875-L878 WeakPolarHBondContact O-CB 3.36Å; L875-L878 PolarHBondContact O-N 3.46Å; L875-L881 HydrophobicContact CD2-CD2 4.42Å; L875-L884 HydrophobicContact CD1-CD2 3.83Å; L875-L884 HydrophobicContact CD2-CD1 4.22Å; L875-L884 HydrophobicContact CD2-CD2 4.46Å; L875-L899 HydrophobicContact CD1-CD1 3.65Å
876N88.3Confident92.6Very high63 Ų6343.7 Ų43.734%0.33721%0.21SC..G310 helixtrans-59.1-18.2178.1-754.9000114.2R874 L878 H902 E905R874-N876 PolarHBondContact O-N 3.33Å; R874-N876 VanDerWaalsContact O-N 3.1Å; N876-L878 PolarHBondContact O-N 3.19Å; N876-H902 PolarHBondContact OD1-CD2 2.92Å; N876-H902 VanDerWaalsContact OD1-CD2 3.26Å; N876-E905 VanDerWaalsContact CG-OE2 3.29Å; N876-E905 PolarHBondContact ND2-OE2 3.02Å; N876-E905 PolarHBondContact OD1-OE2 2.9Å
877V91.1Very high92.7Very high53 Ų5338.6 Ų38.632%0.32119%0.186SC..G310 helixtrans-72.9-19.3175.8-174.80000111.9H845 V848 R874 L875 E879H845-V877 HydrophobicContact CB-CG1 4.33Å; V848-V877 HydrophobicContact CG1-CG1 3.91Å; R874-V877 WeakPolarHBondContact O-CG2 3.27Å; R874-V877 PolarHBondContact O-N 3Å; R874-V877 VanDerWaalsContact O-N 3.12Å; L875-V877 PolarHBondContact O-N 3.03Å; V877-E879 PolarHBondContact O-N 3.38Å
878L92Very high92.7Very high1 Ų141 Ų411%0.00520%0.196CC..  trans-94.271.4-178.5-56-173.6000111.6L844 L847 L850 L875 N876 Q880 L881L844-L878 HydrophobicContact CD1-CD1 4.12Å; L844-L878 HydrophobicContact CD1-CD2 4.2Å; L844-L878 HydrophobicContact CD1-CG 4.42Å; L844-L878 HydrophobicContact CD2-CD1 4.13Å; L844-L878 HydrophobicContact CD2-CD2 4.47Å; L844-L878 HydrophobicContact CD2-CG 4.06Å; L844-L878 HydrophobicContact CG-CD1 4.31Å; L844-L878 HydrophobicContact CG-CD2 3.99Å; L844-L878 HydrophobicContact CG-CG 4.13Å; L847-L878 VanDerWaalsContact O-CD2 3.22Å; L847-L878 WeakPolarHBondContact O-CD2 3.29Å; L850-L878 HydrophobicContact CB-CD1 4.45Å; L850-L878 HydrophobicContact CB-CD2 3.98Å; L850-L878 HydrophobicContact CD2-CD1 4.05Å; L875-L878 HydrophobicContact CD2-CD1 4.46Å; L875-L878 WeakPolarHBondContact O-CB 3.36Å; L875-L878 PolarHBondContact O-N 3.46Å; N876-L878 PolarHBondContact O-N 3.19Å; L878-Q880 PolarHBondContact O-N 3.17Å; L878-L881 HydrophobicContact CB-CB 4.02Å; L878-L881 HydrophobicContact CD1-CD1 4.12Å; L878-L881 VanDerWaalsContact O-CB 3.3Å; L878-L881 WeakPolarHBondContact O-CB 3.42Å; L878-L881 PolarHBondContact O-N 3.2Å; L878-L881 VanDerWaalsContact O-N 3.13Å
879E87.1Confident92.5Very high160 Ų16041.5 Ų41.575%0.74820%0.201SC*.THydrogen-bonded Turntrans-62.9-14.5-179.2-63.4-178-175.900114.1V877 Q908V877-E879 PolarHBondContact O-N 3.38Å; E879-Q908 PolarHBondContact O-NE2 2.93Å
880Q89.3Confident92.2Very high111 Ų11142.2 Ų42.252%0.51921%0.212SC..THydrogen-bonded Turntrans-103.97.4-179.8-59.6-173.69.100113.1S851 L878 T882S851-Q880 WeakPolarHBondContact CA-O 3.35Å; S851-Q880 WeakPolarHBondContact CB-O 3.36Å; L878-Q880 PolarHBondContact O-N 3.17Å; Q880-T882 PolarHBondContact O-N 2.98Å; Q880-T882 VanDerWaalsContact O-N 3.15Å
881L92.2Very high91.7Very high0 Ų045 Ų450%023%0.229CC..  trans-63.2116.2-174.1-169.169.1000111.9L853 L875 L878 A883 L884 V906 L909L853-L881 HydrophobicContact CB-CD1 4.3Å; L875-L881 HydrophobicContact CD2-CD2 4.42Å; L878-L881 HydrophobicContact CB-CB 4.02Å; L878-L881 HydrophobicContact CD1-CD1 4.12Å; L878-L881 VanDerWaalsContact O-CB 3.3Å; L878-L881 WeakPolarHBondContact O-CB 3.42Å; L878-L881 PolarHBondContact O-N 3.2Å; L878-L881 VanDerWaalsContact O-N 3.13Å; L881-A883 WeakPolarHBondContact CD1-O 3.5Å; L881-L884 HydrophobicContact CD2-CB 4.15Å; L881-L884 HydrophobicContact CD2-CD1 4.32Å; L881-L884 HydrophobicContact CD2-CD2 4.3Å; L881-L884 HydrophobicContact CD2-CG 4.49Å; L881-V906 HydrophobicContact CB-CG1 4.07Å; L881-V906 WeakPolarHBondContact O-CG1 3.26Å; L881-L909 HydrophobicContact CD2-CD1 4.26Å; L881-L909 HydrophobicContact CG-CD1 4.04Å
882T91.4Very high91.4Very high46 Ų4645 Ų4528%0.28223%0.229SC..  trans-111.1-23.7176.862.80000112.6S851 Q880 V910 K911S851-T882 PolarHBondContact O-N 3.33Å; S851-T882 PolarHBondContact O-OG1 3.42Å; S851-T882 VanDerWaalsContact O-OG1 3.08Å; Q880-T882 PolarHBondContact O-N 2.98Å; Q880-T882 VanDerWaalsContact O-N 3.15Å; T882-V910 WeakPolarHBondContact O-CA 3.3Å; T882-V910 WeakPolarHBondContact O-CB 3.43Å; T882-V910 PolarHBondContact O-N 3.48Å; T882-K911 PolarHBondContact O-N 3Å
883A92.6Very high91.1Very high4 Ų447.5 Ų47.53%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-138.1126.2178.100000111.5S851 I852 L853 L881 K911S851-A883 PolarHBondContact O-N 3.16Å; S851-A883 VanDerWaalsContact O-N 3.09Å; I852-A883 HydrophobicContact CB-CB 4.33Å; I852-A883 HydrophobicContact CD1-CB 4.49Å; I852-A883 HydrophobicContact CG1-CB 4.01Å; I852-A883 HydrophobicContact CG2-CB 4.04Å; L853-A883 PolarHBondContact N-O 3.23Å; L881-A883 WeakPolarHBondContact CD1-O 3.5Å; A883-K911 HydrophobicContact CB-CB 3.84Å; A883-K911 HydrophobicContact CB-CD 3.97Å; A883-K911 HydrophobicContact CB-CG 4.14Å
884L95.9Very high90.9Very high0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-129.2115.7177.9-175.863.1000110L853 L875 L881 L886 L899 L903 L909 K911 L912 G913L853-L884 HydrophobicContact CB-CD1 4.24Å; L853-L884 HydrophobicContact CD2-CD1 4.16Å; L853-L884 HydrophobicContact CG-CD1 4.4Å; L853-L884 WeakPolarHBondContact O-CA 3.36Å; L875-L884 HydrophobicContact CD1-CD2 3.83Å; L875-L884 HydrophobicContact CD2-CD1 4.22Å; L875-L884 HydrophobicContact CD2-CD2 4.46Å; L881-L884 HydrophobicContact CD2-CB 4.15Å; L881-L884 HydrophobicContact CD2-CD1 4.32Å; L881-L884 HydrophobicContact CD2-CD2 4.3Å; L881-L884 HydrophobicContact CD2-CG 4.49Å; L884-L886 HydrophobicContact CD1-CD2 3.84Å; L884-L886 HydrophobicContact CD1-CG 4.33Å; L884-L886 HydrophobicContact CD2-CD1 4.4Å; L884-L886 HydrophobicContact CD2-CD2 4.5Å; L884-L886 HydrophobicContact CD2-CG 4.43Å; L884-L886 HydrophobicContact CG-CD2 4.18Å; L884-L886 HydrophobicContact CG-CG 4.12Å; L884-L899 HydrophobicContact CD2-CD1 3.89Å; L884-L903 HydrophobicContact CD2-CD2 4.17Å; L884-L909 HydrophobicContact CB-CD1 4.09Å; L884-K911 PolarHBondContact N-O 3.03Å; L884-L912 CarbonylContact O-C 3.58Å; L884-L912 WeakPolarHBondContact O-CA 3.47Å; L884-G913 PolarHBondContact O-N 3.39Å
885M94.2Very high90.8Very high27 Ų2739.3 Ų39.313%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-124.1116.3173.8-50.8-72.5-168.300108.2L853 D854 L855 K911 G913L853-M885 PolarHBondContact O-N 2.95Å; D854-M885 HydrophobicContact CB-CB 4.17Å; D854-M885 HydrophobicContact CB-CG 4.3Å; D854-M885 VanDerWaalsContact OD1-CB 3.26Å; D854-M885 WeakPolarHBondContact OD1-CB 3.29Å; L855-M885 PolarHBondContact N-O 3.04Å; M885-K911 HydrophobicContact CE-CB 4Å; M885-K911 HydrophobicContact CE-CD 4.44Å; M885-G913 WeakPolarHBondContact SD-CA 3.32Å; M885-G913 PolarHBondContact SD-N 3.47Å; M885-G913 VanDerWaalsContact SD-N 3.36Å
886L95.6Very high90.9Very high0 Ų039.3 Ų39.30%022%0.22CC..  trans-96.6153.4-170.5-69.2174.6000112.4L868 L871 L884 L899 G913 L914 W917L868-L886 HydrophobicContact CD1-CB 4.37Å; L868-L886 HydrophobicContact CD1-CD1 4.33Å; L868-L886 HydrophobicContact CD1-CD2 3.97Å; L868-L886 HydrophobicContact CD1-CG 4.45Å; L871-L886 HydrophobicContact CD2-CD2 4.23Å; L884-L886 HydrophobicContact CD1-CD2 3.84Å; L884-L886 HydrophobicContact CD1-CG 4.33Å; L884-L886 HydrophobicContact CD2-CD1 4.4Å; L884-L886 HydrophobicContact CD2-CD2 4.5Å; L884-L886 HydrophobicContact CD2-CG 4.43Å; L884-L886 HydrophobicContact CG-CD2 4.18Å; L884-L886 HydrophobicContact CG-CG 4.12Å; L886-L899 HydrophobicContact CD1-CD1 4.12Å; L886-L899 HydrophobicContact CD1-CD2 3.64Å; L886-G913 PolarHBondContact N-O 3.33Å; L886-L914 HydrophobicContact CB-CD2 4.46Å; L886-L914 HydrophobicContact CD1-CD2 3.97Å; L886-W917 HydrophobicContact CB-CZ2 3.61Å; L886-W917 HydrophobicContact CD1-CH2 3.77Å; L886-W917 HydrophobicContact CD1-CZ2 3.5Å; L886-W917 HydrophobicContact CG-CZ2 4.2Å
887P95.4Very high91.1Very high0 Ų040.3 Ų40.30%023%0.229CC..  trans-71174.317234.6-34.7000110.1L855 N858 L860 L868 W917L855-P887 HydrophobicContact CB-CB 4.46Å; L855-P887 HydrophobicContact CB-CG 4.34Å; L855-P887 WeakPolarHBondContact O-CA 3.28Å; L855-P887 WeakPolarHBondContact O-CB 3.27Å; N858-P887 HydrophobicContact CB-CB 4.2Å; L860-P887 HydrophobicContact CD1-CB 4.13Å; L860-P887 HydrophobicContact CD1-CG 3.69Å; L860-P887 HydrophobicContact CD2-CB 4.1Å; L860-P887 HydrophobicContact CD2-CG 4.31Å; L860-P887 HydrophobicContact CG-CB 3.95Å; L860-P887 HydrophobicContact CG-CG 4.09Å; L868-P887 HydrophobicContact CD1-CG 4.19Å; P887-W917 PolarHBondContact O-NE1 2.87Å
888W93.3Very high91.2Very high52 Ų5239.1 Ų39.120%0.19722%0.223CC..EExtended strand (participates in β ladder)trans-126.5161.4178.866.1-77.8000111.2N858 Y859 L860 N916N858-W888 PolarHBondContact O-N 2.9Å; N858-W888 PolarHBondContact O-NE1 3.14Å; Y859-W888 CarbonylContact C-O 3.59Å; Y859-W888 WeakPolarHBondContact CA-O 3.47Å; Y859-W888 AromaticContact CD2-CD2 3.98Å; Y859-W888 HydrophobicContact CD2-CD2 3.98Å; Y859-W888 AromaticContact CD2-CE3 3.57Å; Y859-W888 HydrophobicContact CD2-CE3 3.57Å; Y859-W888 AromaticContact CD2-CH2 3.35Å; Y859-W888 HydrophobicContact CD2-CH2 3.35Å; Y859-W888 AromaticContact CD2-CZ2 3.79Å; Y859-W888 HydrophobicContact CD2-CZ2 3.79Å; Y859-W888 AromaticContact CD2-CZ3 3.23Å; Y859-W888 HydrophobicContact CD2-CZ3 3.23Å; Y859-W888 HydrophobicContact CE2-CE3 4.12Å; Y859-W888 HydrophobicContact CE2-CH2 4.03Å; Y859-W888 AromaticContact CE2-CZ3 3.63Å; Y859-W888 HydrophobicContact CE2-CZ3 3.63Å; Y859-W888 AromaticContact CG-CH2 3.92Å; Y859-W888 HydrophobicContact CG-CH2 3.92Å; Y859-W888 HydrophobicContact CG-CZ2 4.05Å; Y859-W888 HydrophobicContact CG-CZ3 4.24Å; L860-W888 PolarHBondContact N-O 3Å; W888-N916 HydrophobicContact CB-CB 3.98Å; W888-N916 HydrophobicContact CD2-CB 3.61Å; W888-N916 HydrophobicContact CE3-CB 4.06Å; W888-N916 HydrophobicContact CG-CB 3.56Å
889G90.8Very high91.3Very high10 Ų1039 Ų3910%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-172.8-172.9-177.700000110.7
890C85.8Confident91.6Very high79 Ų7931.8 Ų31.853%0.53419%0.189SC..THydrogen-bonded Turntrans-68.1135.7172.5-65.40000110.7V892C890-V892 PolarHBondContact O-N 3.45Å
891D84.6Confident91.7Very high111 Ų11133.4 Ų33.459%0.59419%0.194SC*.THydrogen-bonded Turntrans58.617.2173.1-52.8-42.4000116.7N865 Q893 G894N865-D891 PolarHBondContact ND2-O 3.31Å; D891-Q893 PolarHBondContact O-N 3.13Å; D891-G894 PolarHBondContact O-N 3.38Å
892V89.1Confident91.6Very high0 Ų034.8 Ų34.80%020%0.2CC..G310 helixtrans-63-23.3178.7-64.40000113.3L868 C890 G894 S895 W917L868-V892 HydrophobicContact CD2-CB 3.74Å; L868-V892 HydrophobicContact CD2-CG1 3.7Å; C890-V892 PolarHBondContact O-N 3.45Å; V892-G894 PolarHBondContact O-N 3.33Å; V892-S895 WeakPolarHBondContact O-CB 3.19Å; V892-S895 PolarHBondContact O-N 3.03Å; V892-W917 HydrophobicContact CB-CD2 4.45Å; V892-W917 HydrophobicContact CG2-CB 4.27Å; V892-W917 HydrophobicContact CG2-CD2 3.89Å; V892-W917 HydrophobicContact CG2-CE3 4.3Å; V892-W917 HydrophobicContact CG2-CG 3.88Å; V892-W917 WeakPolarHBondContact O-CZ3 3.41Å
893Q88.4Confident91.6Very high51 Ų5132.6 Ų32.624%0.23819%0.187CC..G310 helixtrans-62.6-22.8177.571.5-95.315.800113.4D891 S895 L896 W917 L919 E923D891-Q893 PolarHBondContact O-N 3.13Å; Q893-S895 PolarHBondContact O-N 3.12Å; Q893-L896 VanDerWaalsContact O-CB 3.3Å; Q893-L896 WeakPolarHBondContact O-CB 3.42Å; Q893-L896 PolarHBondContact O-N 3.45Å; Q893-W917 PolarHBondContact OE1-O 2.91Å; Q893-L919 HydrophobicContact CB-CD2 4.08Å; Q893-E923 HydrophobicContact CB-CG 4.12Å; Q893-E923 HydrophobicContact CG-CG 4.49Å
894G87.4Confident91.5Very high56 Ų5636.3 Ų36.358%0.57720%0.204SC*.G310 helixtrans-62.2-25.6174.100000113.4D891 V892 L896D891-G894 PolarHBondContact O-N 3.38Å; V892-G894 PolarHBondContact O-N 3.33Å; G894-L896 VanDerWaalsContact C-N 3.32Å; G894-L896 PolarHBondContact O-N 3.3Å
895S90.6Very high91Very high0 Ų042.3 Ų42.30%023%0.232CC..G310 helixtrans-83.2-5.7-179-58.90000113.4N865 H869 V892 Q893 T897 S898 L899N865-S895 PolarHBondContact OD1-OG 3.36Å; H869-S895 PolarHBondContact CD2-OG 3.4Å; V892-S895 WeakPolarHBondContact O-CB 3.19Å; V892-S895 PolarHBondContact O-N 3.03Å; Q893-S895 PolarHBondContact O-N 3.12Å; S895-T897 PolarHBondContact O-N 2.97Å; S895-S898 PolarHBondContact O-N 3.43Å; S895-L899 PolarHBondContact O-N 3.46Å
896L94.4Very high90.6Very high1 Ų141.3 Ų41.31%0.00523%0.227CC..Hα-helixtrans-58.5-44.3-176.9-179.963.5000112.4Q893 G894 S898 L899 L900 L914 L919 E923Q893-L896 VanDerWaalsContact O-CB 3.3Å; Q893-L896 WeakPolarHBondContact O-CB 3.42Å; Q893-L896 PolarHBondContact O-N 3.45Å; G894-L896 VanDerWaalsContact C-N 3.32Å; G894-L896 PolarHBondContact O-N 3.3Å; L896-S898 VanDerWaalsContact C-N 3.32Å; L896-S898 PolarHBondContact O-N 2.82Å; L896-L899 WeakPolarHBondContact O-CB 3.26Å; L896-L899 PolarHBondContact O-N 3.46Å; L896-L900 HydrophobicContact CD1-CD1 4.01Å; L896-L900 HydrophobicContact CD1-CD2 4.28Å; L896-L900 HydrophobicContact CD1-CG 3.96Å; L896-L900 HydrophobicContact CG-CD1 3.92Å; L896-L900 HydrophobicContact CG-CG 4.26Å; L896-L900 VanDerWaalsContact O-CG 3.3Å; L896-L900 WeakPolarHBondContact O-CG 3.19Å; L896-L900 PolarHBondContact O-N 3.41Å; L896-L914 HydrophobicContact CD1-CD1 3.71Å; L896-L919 HydrophobicContact CD2-CD2 4.34Å; L896-E923 HydrophobicContact CD2-CB 3.55Å; L896-E923 HydrophobicContact CD2-CG 3.88Å
897T92.4Very high90.2Very high85 Ų8543.8 Ų43.852%0.52124%0.243SC..Hα-helixtrans-64.1-39.4-178.7-54.20000111.6S895 K901S895-T897 PolarHBondContact O-N 2.97Å; T897-K901 PolarHBondContact O-N 3.12Å
898S92.4Very high89.8Confident27 Ų2746.7 Ų46.719%0.18926%0.257CS..Hα-helixtrans-64.8-46.4174.7-1690000110.7D873 S895 L896 L900 K901 H902D873-S898 PolarHBondContact OD1-OG 3.06Å; S895-S898 PolarHBondContact O-N 3.43Å; L896-S898 VanDerWaalsContact C-N 3.32Å; L896-S898 PolarHBondContact O-N 2.82Å; S898-L900 PolarHBondContact O-N 2.92Å; S898-K901 WeakPolarHBondContact O-CB 3.2Å; S898-K901 PolarHBondContact O-N 3.32Å; S898-H902 PolarHBondContact O-N 3.39Å; S898-H902 PolarHBondContact O-ND1 3.02Å
899L95.3Very high89.6Confident0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-55.8-52.3177.7173.963.4000111.7I872 L875 L884 L886 S895 L896 K901 H902 L903 L914 W917I872-L899 HydrophobicContact CD1-CB 4.12Å; I872-L899 HydrophobicContact CG1-CB 4.44Å; I872-L899 HydrophobicContact CG1-CD1 4.27Å; I872-L899 HydrophobicContact CG2-CB 4.2Å; L875-L899 HydrophobicContact CD1-CD1 3.65Å; L884-L899 HydrophobicContact CD2-CD1 3.89Å; L886-L899 HydrophobicContact CD1-CD1 4.12Å; L886-L899 HydrophobicContact CD1-CD2 3.64Å; S895-L899 PolarHBondContact O-N 3.46Å; L896-L899 WeakPolarHBondContact O-CB 3.26Å; L896-L899 PolarHBondContact O-N 3.46Å; L899-K901 PolarHBondContact O-N 3.33Å; L899-H902 PolarHBondContact O-N 3.46Å; L899-H902 VanDerWaalsContact O-N 3.09Å; L899-L903 HydrophobicContact CD1-CD1 4.14Å; L899-L903 HydrophobicContact CD1-CD2 4.31Å; L899-L903 HydrophobicContact CD1-CG 4.02Å; L899-L903 HydrophobicContact CG-CD1 4.05Å; L899-L903 HydrophobicContact CG-CG 4.27Å; L899-L903 WeakPolarHBondContact O-CG 3.31Å; L899-L903 PolarHBondContact O-N 3.05Å; L899-L914 HydrophobicContact CD2-CD2 3.76Å; L899-W917 HydrophobicContact CD2-CH2 4.2Å
900L93.6Very high89.5Confident8 Ų845.1 Ų45.14%0.04225%0.251CS..Hα-helixtrans-62.6-33.3-176.6-65176.9000112.4L896 S898 L903 E904 I926 L927 F930L896-L900 HydrophobicContact CD1-CD1 4.01Å; L896-L900 HydrophobicContact CD1-CD2 4.28Å; L896-L900 HydrophobicContact CD1-CG 3.96Å; L896-L900 HydrophobicContact CG-CD1 3.92Å; L896-L900 HydrophobicContact CG-CG 4.26Å; L896-L900 VanDerWaalsContact O-CG 3.3Å; L896-L900 WeakPolarHBondContact O-CG 3.19Å; L896-L900 PolarHBondContact O-N 3.41Å; S898-L900 PolarHBondContact O-N 2.92Å; L900-L903 HydrophobicContact CD2-CD1 4.37Å; L900-L903 PolarHBondContact O-N 2.82Å; L900-E904 PolarHBondContact O-N 3.13Å; L900-E904 VanDerWaalsContact O-N 3.15Å; L900-I926 HydrophobicContact CD1-CG2 3.77Å; L900-L927 HydrophobicContact CD1-CD1 4.18Å; L900-L927 HydrophobicContact CD2-CD1 3.68Å; L900-F930 HydrophobicContact CB-CB 4.43Å; L900-F930 HydrophobicContact CB-CD2 3.92Å; L900-F930 HydrophobicContact CB-CE2 4.43Å; L900-F930 HydrophobicContact CB-CG 4.25Å; L900-F930 HydrophobicContact CD1-CB 3.94Å; L900-F930 HydrophobicContact CD1-CG 4.39Å; L900-F930 HydrophobicContact CD2-CB 4.26Å; L900-F930 HydrophobicContact CD2-CD1 3.86Å; L900-F930 HydrophobicContact CD2-CD2 4.15Å; L900-F930 HydrophobicContact CD2-CE1 4.2Å; L900-F930 HydrophobicContact CD2-CE2 4.45Å; L900-F930 HydrophobicContact CD2-CG 3.83Å; L900-F930 HydrophobicContact CD2-CZ 4.47Å; L900-F930 HydrophobicContact CG-CB 4.43Å; L900-F930 HydrophobicContact CG-CD2 4.5Å; L900-F930 HydrophobicContact CG-CG 4.36Å; L900-F930 WeakPolarHBondContact O-CE2 3.27Å
901K91.3Very high89.8Confident145 Ų14543.7 Ų43.763%0.6324%0.236SC*.Hα-helixtrans-61.3-43.7174.1-173-174.5175.3-1690111.9T897 S898 L899 E904T897-K901 PolarHBondContact O-N 3.12Å; S898-K901 WeakPolarHBondContact O-CB 3.2Å; S898-K901 PolarHBondContact O-N 3.32Å; L899-K901 PolarHBondContact O-N 3.33Å; K901-E904 PolarHBondContact O-N 3.16Å
902H90.3Very high90.3Very high28 Ų2838.4 Ų38.413%0.1321%0.207CC..Hα-helixtrans-69.6-37176.5-64.489.2000111.5D873 N876 S898 L899 E904 E905D873-H902 IonicContact OD1-CE1 3.12Å; N876-H902 PolarHBondContact OD1-CD2 2.92Å; N876-H902 VanDerWaalsContact OD1-CD2 3.26Å; S898-H902 PolarHBondContact O-N 3.39Å; S898-H902 PolarHBondContact O-ND1 3.02Å; L899-H902 PolarHBondContact O-N 3.46Å; L899-H902 VanDerWaalsContact O-N 3.09Å; H902-E904 PolarHBondContact O-N 3.19Å; H902-E905 WeakPolarHBondContact O-CB 3.45Å; H902-E905 PolarHBondContact O-N 3.03Å
903L91Very high90.5Very high1 Ų138.5 Ų38.51%0.00521%0.208CC..Hα-helixtrans-66.8-18.8177.3-64.3-173.6000113.9L884 L899 L900 E905 V906 L909 L912 F930L884-L903 HydrophobicContact CD2-CD2 4.17Å; L899-L903 HydrophobicContact CD1-CD1 4.14Å; L899-L903 HydrophobicContact CD1-CD2 4.31Å; L899-L903 HydrophobicContact CD1-CG 4.02Å; L899-L903 HydrophobicContact CG-CD1 4.05Å; L899-L903 HydrophobicContact CG-CG 4.27Å; L899-L903 WeakPolarHBondContact O-CG 3.31Å; L899-L903 PolarHBondContact O-N 3.05Å; L900-L903 HydrophobicContact CD2-CD1 4.37Å; L900-L903 PolarHBondContact O-N 2.82Å; L903-E905 PolarHBondContact O-N 3.22Å; L903-V906 PolarHBondContact O-N 2.68Å; L903-L909 HydrophobicContact CD1-CD2 4.07Å; L903-L909 HydrophobicContact CD2-CD2 4.02Å; L903-L912 HydrophobicContact CD1-CD1 3.99Å; L903-L912 HydrophobicContact CD1-CD2 4.09Å; L903-F930 HydrophobicContact CB-CE2 3.99Å; L903-F930 HydrophobicContact CB-CZ 3.76Å
904E89.2Confident90.9Very high81 Ų8136.1 Ų36.138%0.37920%0.197SC..THydrogen-bonded Turntrans-63.4-25.4169.7-69.9-175.8175.400111.9L900 K901 H902 F930 K933L900-E904 PolarHBondContact O-N 3.13Å; L900-E904 VanDerWaalsContact O-N 3.15Å; K901-E904 PolarHBondContact O-N 3.16Å; H902-E904 PolarHBondContact O-N 3.19Å; E904-F930 HydrophobicContact CG-CD2 3.96Å; E904-F930 HydrophobicContact CG-CE2 3.71Å; E904-K933 IonicContact OE1-NZ 3.74Å; E904-K933 PolarHBondContact OE1-NZ 3.13Å; E904-K933 IonicContact OE2-NZ 2.97Å
905E86.1Confident91.2Very high127 Ų12735.9 Ų35.959%0.59318%0.18SC*.THydrogen-bonded Turntrans-90.1-1.9178.2-58.9179.8178.900112.8N876 H902 L903 P907N876-E905 VanDerWaalsContact CG-OE2 3.29Å; N876-E905 PolarHBondContact ND2-OE2 3.02Å; N876-E905 PolarHBondContact OD1-OE2 2.9Å; H902-E905 WeakPolarHBondContact O-CB 3.45Å; H902-E905 PolarHBondContact O-N 3.03Å; L903-E905 PolarHBondContact O-N 3.22Å; E905-P907 VanDerWaalsContact O-CD 3.25Å; E905-P907 WeakPolarHBondContact O-CD 3.48Å
906V86.8Confident91.3Very high5 Ų538.1 Ų38.13%0.0319%0.192CC..  trans-120.963.3-177.6-168.30000110.9L881 L903 Q908 L909 L936L881-V906 HydrophobicContact CB-CG1 4.07Å; L881-V906 WeakPolarHBondContact O-CG1 3.26Å; L903-V906 PolarHBondContact O-N 2.68Å; V906-Q908 HydrophobicContact CG1-CG 4.46Å; V906-Q908 VanDerWaalsContact CG1-NE2 3.33Å; V906-Q908 PolarHBondContact O-N 2.89Å; V906-L909 HydrophobicContact CG1-CB 4.39Å; V906-L909 PolarHBondContact O-N 3.17Å; V906-L909 VanDerWaalsContact O-N 3.15Å; V906-L936 VanDerWaalsContact O-CD2 3.28Å; V906-L936 WeakPolarHBondContact O-CD2 3.49Å
907P85.5Confident91.3Very high53 Ų5338.1 Ų38.134%0.34419%0.192SC..THydrogen-bonded Turntrans-65.3-14.6-17227.8-37.6000115.3E905 L909 P935 K937E905-P907 VanDerWaalsContact O-CD 3.25Å; E905-P907 WeakPolarHBondContact O-CD 3.48Å; P907-L909 VanDerWaalsContact C-N 3.34Å; P907-P935 WeakPolarHBondContact CA-O 3.37Å; P907-P935 WeakPolarHBondContact CB-O 3.33Å; P907-K937 PolarHBondContact O-N 3.37Å
908Q86.9Confident91.3Very high61 Ų6141.5 Ų41.529%0.28520%0.195SC..THydrogen-bonded Turntrans-83.6-4178.667.9-77.4400113.6E879 V906 V910E879-Q908 PolarHBondContact O-NE2 2.93Å; V906-Q908 HydrophobicContact CG1-CG 4.46Å; V906-Q908 VanDerWaalsContact CG1-NE2 3.33Å; V906-Q908 PolarHBondContact O-N 2.89Å; Q908-V910 WeakPolarHBondContact O-CG2 3.49Å; Q908-V910 PolarHBondContact O-N 2.94Å
909L89.9Confident91.5Very high0 Ų040.3 Ų40.30%019%0.187CC..  trans-60126.3179-165.179.7000111L881 L884 L903 V906 P907 L912 L936L881-L909 HydrophobicContact CD2-CD1 4.26Å; L881-L909 HydrophobicContact CG-CD1 4.04Å; L884-L909 HydrophobicContact CB-CD1 4.09Å; L903-L909 HydrophobicContact CD1-CD2 4.07Å; L903-L909 HydrophobicContact CD2-CD2 4.02Å; V906-L909 HydrophobicContact CG1-CB 4.39Å; V906-L909 PolarHBondContact O-N 3.17Å; V906-L909 VanDerWaalsContact O-N 3.15Å; P907-L909 VanDerWaalsContact C-N 3.34Å; L909-L912 HydrophobicContact CD2-CB 4.19Å; L909-L912 HydrophobicContact CD2-CD1 4.45Å; L909-L936 HydrophobicContact CB-CD1 4.28Å; L909-L936 HydrophobicContact CB-CD2 3.99Å; L909-L936 HydrophobicContact CD2-CD1 4.19Å
910V89Confident91.5Very high28 Ų2842.6 Ų42.617%0.1720%0.201CC..  trans-104.7-33.7-178-178.90000111.3T882 Q908 Q940 Q941T882-V910 WeakPolarHBondContact O-CA 3.3Å; T882-V910 WeakPolarHBondContact O-CB 3.43Å; T882-V910 PolarHBondContact O-N 3.48Å; Q908-V910 WeakPolarHBondContact O-CG2 3.49Å; Q908-V910 PolarHBondContact O-N 2.94Å; V910-Q940 HydrophobicContact CG1-CB 3.62Å; V910-Q940 HydrophobicContact CG1-CG 3.7Å; V910-Q940 PolarHBondContact O-N 3.49Å; V910-Q941 PolarHBondContact O-N 3.47Å
911K90.7Very high91.6Very high49 Ų4944.3 Ų44.321%0.21321%0.21CC..EExtended strand (participates in β ladder)trans-130.8131.7-175.1-48.7-177.9178.5175.50111.3T882 A883 L884 M885 Q941T882-K911 PolarHBondContact O-N 3Å; A883-K911 HydrophobicContact CB-CB 3.84Å; A883-K911 HydrophobicContact CB-CD 3.97Å; A883-K911 HydrophobicContact CB-CG 4.14Å; L884-K911 PolarHBondContact N-O 3.03Å; M885-K911 HydrophobicContact CE-CB 4Å; M885-K911 HydrophobicContact CE-CD 4.44Å; K911-Q941 WeakPolarHBondContact CA-O 3.14Å; K911-Q941 HydrophobicContact CB-CB 4.06Å; K911-Q941 HydrophobicContact CD-CB 4.5Å; K911-Q941 HydrophobicContact CD-CG 4.28Å; K911-Q941 VanDerWaalsContact CD-OE1 3.31Å; K911-Q941 HydrophobicContact CG-CB 3.89Å; K911-Q941 HydrophobicContact CG-CG 3.92Å
912L95.2Very high91.8Very high0 Ų041.6 Ų41.60%021%0.206CC..EExtended strand (participates in β ladder)trans-130.9129.4173.3-179.463.9000110.5L884 L903 L909 L914 F939 Q941 L942 N943L884-L912 CarbonylContact O-C 3.58Å; L884-L912 WeakPolarHBondContact O-CA 3.47Å; L903-L912 HydrophobicContact CD1-CD1 3.99Å; L903-L912 HydrophobicContact CD1-CD2 4.09Å; L909-L912 HydrophobicContact CD2-CB 4.19Å; L909-L912 HydrophobicContact CD2-CD1 4.45Å; L912-L914 HydrophobicContact CD1-CD2 4.33Å; L912-L914 HydrophobicContact CG-CG 4.46Å; L912-F939 HydrophobicContact CB-CE2 3.73Å; L912-F939 HydrophobicContact CB-CZ 3.85Å; L912-Q941 PolarHBondContact N-O 3.49Å; L912-L942 HydrophobicContact CB-CD1 4.46Å; L912-L942 HydrophobicContact CD2-CD1 4.46Å; L912-L942 WeakPolarHBondContact O-CA 3.46Å; L912-N943 PolarHBondContact O-N 2.94Å
913G95.1Very high92.1Very high2 Ų241.6 Ų41.62%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-131124.5175.400000113.2L884 M885 L886 N943L884-G913 PolarHBondContact O-N 3.39Å; M885-G913 WeakPolarHBondContact SD-CA 3.32Å; M885-G913 PolarHBondContact SD-N 3.47Å; M885-G913 VanDerWaalsContact SD-N 3.36Å; L886-G913 PolarHBondContact N-O 3.33Å; G913-N943 CarbonylContact C-O 3.57Å; G913-N943 WeakPolarHBondContact CA-O 3.27Å
914L96.1Very high92.3Very high1 Ų141.5 Ų41.51%0.00521%0.206CC..  trans-123.947.5176.8-54.3178.3000109.4L886 L896 L899 L912 N916 W917 L919 N943 L944L886-L914 HydrophobicContact CB-CD2 4.46Å; L886-L914 HydrophobicContact CD1-CD2 3.97Å; L896-L914 HydrophobicContact CD1-CD1 3.71Å; L899-L914 HydrophobicContact CD2-CD2 3.76Å; L912-L914 HydrophobicContact CD1-CD2 4.33Å; L912-L914 HydrophobicContact CG-CG 4.46Å; L914-N916 PolarHBondContact O-N 2.97Å; L914-W917 VanDerWaalsContact C-CD1 3.46Å; L914-W917 HydrophobicContact CB-CB 4.24Å; L914-W917 HydrophobicContact CB-CD2 3.89Å; L914-W917 HydrophobicContact CB-CE3 4.41Å; L914-W917 HydrophobicContact CB-CG 3.8Å; L914-W917 HydrophobicContact CD1-CE3 4.43Å; L914-W917 HydrophobicContact CD2-CD2 3.95Å; L914-W917 HydrophobicContact CD2-CE3 4.13Å; L914-W917 HydrophobicContact CD2-CH2 3.87Å; L914-W917 HydrophobicContact CD2-CZ2 3.69Å; L914-W917 HydrophobicContact CD2-CZ3 4.09Å; L914-W917 HydrophobicContact CG-CD2 4.39Å; L914-W917 WeakPolarHBondContact O-CB 3.42Å; L914-W917 PolarHBondContact O-N 3.29Å; L914-L919 HydrophobicContact CD1-CD1 4.29Å; L914-N943 PolarHBondContact N-O 3.17Å; L914-L944 HydrophobicContact CB-CD2 3.99Å; L914-L944 HydrophobicContact CD1-CD2 4.17Å; L914-L944 HydrophobicContact CG-CD2 4.31Å
915K92.7Very high92.6Very high51 Ų5144.2 Ų44.222%0.22221%0.212CC..THydrogen-bonded Turntrans-64.9133.4-175.7178.7169.1178.7178.60110.4E857 W917 A945E857-K915 HydrophobicContact CG-CD 4.04Å; E857-K915 IonicContact OE1-NZ 2.9Å; E857-K915 PolarHBondContact OE1-NZ 3.36Å; K915-W917 PolarHBondContact O-N 2.9Å; K915-A945 CarbonylContact C-O 3.6Å; K915-A945 WeakPolarHBondContact CA-O 3.46Å; K915-A945 HydrophobicContact CD-CB 4.4Å; K915-A945 HydrophobicContact CG-CB 4.13Å
916N93.4Very high93.1Very high47 Ų4741.1 Ų41.125%0.25120%0.199SC..THydrogen-bonded Turntrans62.219.1-178.2-60-29.7000115.1W888 L914 R918 A945W888-N916 HydrophobicContact CB-CB 3.98Å; W888-N916 HydrophobicContact CD2-CB 3.61Å; W888-N916 HydrophobicContact CE3-CB 4.06Å; W888-N916 HydrophobicContact CG-CB 3.56Å; L914-N916 PolarHBondContact O-N 2.97Å; N916-R918 PolarHBondContact O-N 2.95Å; N916-A945 PolarHBondContact N-O 3.41Å
917W94.6Very high93.5Very high2 Ų240.9 Ų40.91%0.00820%0.198CC..  trans-71.9-4.4173.7-79.340.5000113.7L868 L886 P887 V892 Q893 L899 L914 K915 L919L868-W917 HydrophobicContact CD1-CZ2 4.44Å; L868-W917 HydrophobicContact CD2-CH2 3.76Å; L868-W917 HydrophobicContact CD2-CZ2 3.57Å; L886-W917 HydrophobicContact CB-CZ2 3.61Å; L886-W917 HydrophobicContact CD1-CH2 3.77Å; L886-W917 HydrophobicContact CD1-CZ2 3.5Å; L886-W917 HydrophobicContact CG-CZ2 4.2Å; P887-W917 PolarHBondContact O-NE1 2.87Å; V892-W917 HydrophobicContact CB-CD2 4.45Å; V892-W917 HydrophobicContact CG2-CB 4.27Å; V892-W917 HydrophobicContact CG2-CD2 3.89Å; V892-W917 HydrophobicContact CG2-CE3 4.3Å; V892-W917 HydrophobicContact CG2-CG 3.88Å; V892-W917 WeakPolarHBondContact O-CZ3 3.41Å; Q893-W917 PolarHBondContact OE1-O 2.91Å; L899-W917 HydrophobicContact CD2-CH2 4.2Å; L914-W917 VanDerWaalsContact C-CD1 3.46Å; L914-W917 HydrophobicContact CB-CB 4.24Å; L914-W917 HydrophobicContact CB-CD2 3.89Å; L914-W917 HydrophobicContact CB-CE3 4.41Å; L914-W917 HydrophobicContact CB-CG 3.8Å; L914-W917 HydrophobicContact CD1-CE3 4.43Å; L914-W917 HydrophobicContact CD2-CD2 3.95Å; L914-W917 HydrophobicContact CD2-CE3 4.13Å; L914-W917 HydrophobicContact CD2-CH2 3.87Å; L914-W917 HydrophobicContact CD2-CZ2 3.69Å; L914-W917 HydrophobicContact CD2-CZ3 4.09Å; L914-W917 HydrophobicContact CG-CD2 4.39Å; L914-W917 WeakPolarHBondContact O-CB 3.42Å; L914-W917 PolarHBondContact O-N 3.29Å; K915-W917 PolarHBondContact O-N 2.9Å; W917-L919 HydrophobicContact CB-CD2 3.82Å; W917-L919 HydrophobicContact CB-CG 4.08Å; W917-L919 HydrophobicContact CE3-CD2 4.3Å; W917-L919 PolarHBondContact O-N 3.42Å; W917-L919 VanDerWaalsContact O-N 3.16Å
918R92.6Very high93.9Very high155 Ų15538.7 Ų38.759%0.58519%0.185SC*.  trans52.537.3179.2-57.3-175.3-178-1762.6113.3N916 T920 G946N916-R918 PolarHBondContact O-N 2.95Å; R918-T920 PolarHBondContact O-N 2.88Å; R918-G946 WeakPolarHBondContact CA-O 3.46Å; R918-G946 PolarHBondContact N-O 2.61Å
919L95.5Very high94.2Very high2 Ų237.8 Ų37.81%0.0119%0.192CC..  trans-53.6137.5178.9-56.3-176.7000110.6Q893 L896 L914 W917 E923 L944 C948 V949Q893-L919 HydrophobicContact CB-CD2 4.08Å; L896-L919 HydrophobicContact CD2-CD2 4.34Å; L914-L919 HydrophobicContact CD1-CD1 4.29Å; W917-L919 HydrophobicContact CB-CD2 3.82Å; W917-L919 HydrophobicContact CB-CG 4.08Å; W917-L919 HydrophobicContact CE3-CD2 4.3Å; W917-L919 PolarHBondContact O-N 3.42Å; W917-L919 VanDerWaalsContact O-N 3.16Å; L919-E923 HydrophobicContact CB-CB 4.08Å; L919-E923 HydrophobicContact CD2-CB 3.92Å; L919-E923 HydrophobicContact CD2-CG 4.14Å; L919-E923 HydrophobicContact CG-CB 4.48Å; L919-L944 HydrophobicContact CD1-CD2 3.91Å; L919-C948 CarbonylContact O-C 3.48Å; L919-C948 VanDerWaalsContact O-C 3.29Å; L919-C948 WeakPolarHBondContact O-CA 3.46Å; L919-C948 PolarHBondContact O-N 2.75Å; L919-V949 HydrophobicContact CB-CG2 4.45Å; L919-V949 VanDerWaalsContact O-CG2 3.32Å; L919-V949 WeakPolarHBondContact O-CG2 3.18Å; L919-V949 PolarHBondContact O-N 3.37Å
920T95.2Very high94.4Very high49 Ų4938.1 Ų38.130%0.30119%0.193SC..  trans-106.9-175.6176.576.50000110.7R918 T922 E923 I924R918-T920 PolarHBondContact O-N 2.88Å; T920-T922 PolarHBondContact O-N 3.35Å; T920-T922 PolarHBondContact OG1-N 2.95Å; T920-E923 WeakPolarHBondContact CA-OE2 3.31Å; T920-E923 WeakPolarHBondContact CB-OE2 3.3Å; T920-E923 PolarHBondContact N-OE2 3.45Å; T920-E923 PolarHBondContact O-N 3.33Å; T920-E923 PolarHBondContact OG1-OE2 3.34Å; T920-I924 PolarHBondContact O-N 2.96Å
921D95.8Very high94.6Very high44 Ų4437.1 Ų37.124%0.23519%0.187CC..Hα-helixtrans-57.5-29.2175.9-69.39000113.3I924 R925 S950D921-I924 WeakPolarHBondContact O-CG2 3.46Å; D921-R925 WeakPolarHBondContact O-CD 3.44Å; D921-R925 WeakPolarHBondContact O-CG 3.37Å; D921-R925 PolarHBondContact O-N 3.4Å; D921-S950 VanDerWaalsContact CG-OG 3.22Å; D921-S950 WeakPolarHBondContact OD1-CB 3.5Å; D921-S950 PolarHBondContact OD1-N 3.02Å; D921-S950 PolarHBondContact OD1-OG 3.19Å; D921-S950 WeakPolarHBondContact OD2-CB 3.37Å; D921-S950 PolarHBondContact OD2-OG 3.19Å
922T95.4Very high94.5Very high87 Ų8737.2 Ų37.253%0.53420%0.202SC..Hα-helixtrans-66.9-52.2176.7-56.60000110.2T920 R925 I926T920-T922 PolarHBondContact O-N 3.35Å; T920-T922 PolarHBondContact OG1-N 2.95Å; T922-R925 PolarHBondContact O-N 3.01Å; T922-I926 HydrophobicContact CG2-CD1 4.31Å; T922-I926 WeakPolarHBondContact O-CG1 3.26Å; T922-I926 PolarHBondContact O-N 3.5Å
923E96.5Very high94.1Very high28 Ų2843.9 Ų43.913%0.13123%0.231CC..Hα-helixtrans-68.1-38.3-177.5-72.476.8-139.900112.7Q893 L896 L919 T920 R925 I926 L927Q893-E923 HydrophobicContact CB-CG 4.12Å; Q893-E923 HydrophobicContact CG-CG 4.49Å; L896-E923 HydrophobicContact CD2-CB 3.55Å; L896-E923 HydrophobicContact CD2-CG 3.88Å; L919-E923 HydrophobicContact CB-CB 4.08Å; L919-E923 HydrophobicContact CD2-CB 3.92Å; L919-E923 HydrophobicContact CD2-CG 4.14Å; L919-E923 HydrophobicContact CG-CB 4.48Å; T920-E923 WeakPolarHBondContact CA-OE2 3.31Å; T920-E923 WeakPolarHBondContact CB-OE2 3.3Å; T920-E923 PolarHBondContact N-OE2 3.45Å; T920-E923 PolarHBondContact O-N 3.33Å; T920-E923 PolarHBondContact OG1-OE2 3.34Å; E923-R925 VanDerWaalsContact C-N 3.26Å; E923-R925 PolarHBondContact O-N 3.31Å; E923-I926 WeakPolarHBondContact O-CB 3.26Å; E923-I926 PolarHBondContact O-N 3.47Å; E923-L927 WeakPolarHBondContact O-CB 3.46Å; E923-L927 PolarHBondContact O-N 3.1Å
924I96.2Very high93.3Very high0 Ų048.6 Ų48.60%026%0.256CS..Hα-helixtrans-66.1-31.4178.7-156.369.2000111.7T920 D921 L927 G928 L944 V949 W954 F957T920-I924 PolarHBondContact O-N 2.96Å; D921-I924 WeakPolarHBondContact O-CG2 3.46Å; I924-L927 HydrophobicContact CD1-CD2 4.12Å; I924-L927 PolarHBondContact O-N 3.43Å; I924-G928 PolarHBondContact O-N 2.92Å; I924-L944 HydrophobicContact CD1-CD1 3.79Å; I924-V949 HydrophobicContact CB-CG1 4.25Å; I924-V949 HydrophobicContact CB-CG2 4.05Å; I924-V949 HydrophobicContact CD1-CG2 4.46Å; I924-V949 HydrophobicContact CG1-CG1 4.37Å; I924-V949 HydrophobicContact CG1-CG2 4.37Å; I924-V949 HydrophobicContact CG2-CG1 3.87Å; I924-V949 HydrophobicContact CG2-CG2 4.44Å; I924-W954 HydrophobicContact CD1-CE3 4.34Å; I924-W954 HydrophobicContact CD1-CH2 3.9Å; I924-W954 HydrophobicContact CD1-CZ3 3.63Å; I924-W954 HydrophobicContact CG1-CE3 4.28Å; I924-W954 HydrophobicContact CG1-CZ3 4.06Å; I924-F957 HydrophobicContact CD1-CD2 4.14Å; I924-F957 HydrophobicContact CD1-CE2 4.39Å; I924-F957 HydrophobicContact CD1-CG 4.2Å; I924-F957 HydrophobicContact CG1-CB 3.84Å; I924-F957 HydrophobicContact CG1-CD1 4.5Å; I924-F957 HydrophobicContact CG1-CD2 3.88Å; I924-F957 HydrophobicContact CG1-CG 3.83Å
925R95.3Very high92.4Very high137 Ų13749.8 Ų49.852%0.51726%0.263SS..Hα-helixtrans-69.4-39.8173.3-73171.3-172.3-81.5-2.2111.6D921 T922 E923 G928 G929D921-R925 WeakPolarHBondContact O-CD 3.44Å; D921-R925 WeakPolarHBondContact O-CG 3.37Å; D921-R925 PolarHBondContact O-N 3.4Å; T922-R925 PolarHBondContact O-N 3.01Å; E923-R925 VanDerWaalsContact C-N 3.26Å; E923-R925 PolarHBondContact O-N 3.31Å; R925-G928 PolarHBondContact O-N 2.88Å; R925-G929 PolarHBondContact O-N 3.4Å
926I95.8Very high92.1Very high62 Ų6247.6 Ų47.632%0.31825%0.254SS..Hα-helixtrans-61.4-47.2173.7-65.8167.6000109.9L900 T922 E923 G928 G929 F930L900-I926 HydrophobicContact CD1-CG2 3.77Å; T922-I926 HydrophobicContact CG2-CD1 4.31Å; T922-I926 WeakPolarHBondContact O-CG1 3.26Å; T922-I926 PolarHBondContact O-N 3.5Å; E923-I926 WeakPolarHBondContact O-CB 3.26Å; E923-I926 PolarHBondContact O-N 3.47Å; I926-G928 VanDerWaalsContact C-N 3.34Å; I926-G928 PolarHBondContact O-N 3.08Å; I926-G929 PolarHBondContact O-N 3.41Å; I926-G929 VanDerWaalsContact O-N 3.15Å; I926-F930 PolarHBondContact O-N 3.47Å
927L95.4Very high91.2Very high0 Ų053.2 Ų53.20%028%0.276CS..Hα-helixtrans-61.8-40.8176.3-171.166.8000112L900 E923 I924 G929 F930 F931 L944 F957L900-L927 HydrophobicContact CD1-CD1 4.18Å; L900-L927 HydrophobicContact CD2-CD1 3.68Å; E923-L927 WeakPolarHBondContact O-CB 3.46Å; E923-L927 PolarHBondContact O-N 3.1Å; I924-L927 HydrophobicContact CD1-CD2 4.12Å; I924-L927 PolarHBondContact O-N 3.43Å; L927-G929 VanDerWaalsContact C-N 3.35Å; L927-F930 WeakPolarHBondContact O-CB 3.4Å; L927-F930 PolarHBondContact O-N 2.81Å; L927-F931 HydrophobicContact CD1-CD2 4.16Å; L927-F931 HydrophobicContact CD1-CE2 3.68Å; L927-F931 HydrophobicContact CD2-CE2 4.11Å; L927-F931 HydrophobicContact CG-CD2 3.9Å; L927-F931 HydrophobicContact CG-CE2 3.67Å; L927-F931 WeakPolarHBondContact O-CD2 3.39Å; L927-F931 PolarHBondContact O-N 3.18Å; L927-L944 HydrophobicContact CD2-CD1 3.73Å; L927-L944 HydrophobicContact CD2-CD2 4.2Å; L927-F957 HydrophobicContact CD2-CE2 4.21Å; L927-F957 HydrophobicContact CD2-CZ 4.42Å; L927-F957 HydrophobicContact CG-CE2 4.21Å
928G93.9Very high90.5Very high7 Ų757.8 Ų57.87%0.07230%0.301CS..Hα-helixtrans-60.5-42.1172.700000112.4I924 R925 I926 F930 F931 G932 V960I924-G928 PolarHBondContact O-N 2.92Å; R925-G928 PolarHBondContact O-N 2.88Å; I926-G928 VanDerWaalsContact C-N 3.34Å; I926-G928 PolarHBondContact O-N 3.08Å; G928-F930 VanDerWaalsContact C-N 3.33Å; G928-F930 PolarHBondContact O-N 3.33Å; G928-F931 PolarHBondContact O-N 2.89Å; G928-G932 PolarHBondContact O-N 3.5Å; G928-V960 WeakPolarHBondContact O-CG1 3.25Å
929G93.8Very high90.4Very high43 Ų4350.6 Ų50.644%0.44327%0.274SS..Hα-helixtrans-59.8-41.5173.900000112.8R925 I926 L927 G932 K933R925-G929 PolarHBondContact O-N 3.4Å; I926-G929 PolarHBondContact O-N 3.41Å; I926-G929 VanDerWaalsContact O-N 3.15Å; L927-G929 VanDerWaalsContact C-N 3.35Å; G929-G932 PolarHBondContact O-N 2.96Å; G929-K933 PolarHBondContact O-N 3.46Å
930F94.5Very high89.9Confident6 Ų653.7 Ų53.73%0.02629%0.288CS..Hα-helixtrans-62.4-53.8174.9169.4-96.5000112.1L900 L903 E904 I926 L927 G928 G932 K933 P935 L936L900-F930 HydrophobicContact CB-CB 4.43Å; L900-F930 HydrophobicContact CB-CD2 3.92Å; L900-F930 HydrophobicContact CB-CE2 4.43Å; L900-F930 HydrophobicContact CB-CG 4.25Å; L900-F930 HydrophobicContact CD1-CB 3.94Å; L900-F930 HydrophobicContact CD1-CG 4.39Å; L900-F930 HydrophobicContact CD2-CB 4.26Å; L900-F930 HydrophobicContact CD2-CD1 3.86Å; L900-F930 HydrophobicContact CD2-CD2 4.15Å; L900-F930 HydrophobicContact CD2-CE1 4.2Å; L900-F930 HydrophobicContact CD2-CE2 4.45Å; L900-F930 HydrophobicContact CD2-CG 3.83Å; L900-F930 HydrophobicContact CD2-CZ 4.47Å; L900-F930 HydrophobicContact CG-CB 4.43Å; L900-F930 HydrophobicContact CG-CD2 4.5Å; L900-F930 HydrophobicContact CG-CG 4.36Å; L900-F930 WeakPolarHBondContact O-CE2 3.27Å; L903-F930 HydrophobicContact CB-CE2 3.99Å; L903-F930 HydrophobicContact CB-CZ 3.76Å; E904-F930 HydrophobicContact CG-CD2 3.96Å; E904-F930 HydrophobicContact CG-CE2 3.71Å; I926-F930 PolarHBondContact O-N 3.47Å; L927-F930 WeakPolarHBondContact O-CB 3.4Å; L927-F930 PolarHBondContact O-N 2.81Å; G928-F930 VanDerWaalsContact C-N 3.33Å; G928-F930 PolarHBondContact O-N 3.33Å; F930-G932 PolarHBondContact O-N 2.95Å; F930-K933 PolarHBondContact O-N 3.3Å; F930-K933 VanDerWaalsContact O-N 3.14Å; F930-P935 HydrophobicContact CD1-CG 4.26Å; F930-P935 HydrophobicContact CD2-CG 3.9Å; F930-P935 HydrophobicContact CE1-CG 3.84Å; F930-P935 HydrophobicContact CE2-CB 4.27Å; F930-P935 HydrophobicContact CE2-CG 3.45Å; F930-P935 VanDerWaalsContact CE2-CG 3.45Å; F930-P935 HydrophobicContact CG-CG 4.29Å; F930-P935 HydrophobicContact CZ-CB 4.35Å; F930-P935 HydrophobicContact CZ-CG 3.42Å; F930-P935 VanDerWaalsContact CZ-CG 3.42Å; F930-P935 WeakPolarHBondContact O-CD 3.39Å; F930-L936 HydrophobicContact CE1-CD1 3.91Å; F930-L936 HydrophobicContact CE1-CG 4.15Å; F930-L936 HydrophobicContact CZ-CD1 4.1Å; F930-L936 HydrophobicContact CZ-CD2 4.3Å; F930-L936 HydrophobicContact CZ-CG 4.04Å
931F92.4Very high89.6Confident8 Ų852.5 Ų52.54%0.03528%0.279CS..Hα-helixtrans-64.2-26.7178.2-76-64.7000112.8L927 G928 K933 N934 L936 F939 L942 F957 V960 L964L927-F931 HydrophobicContact CD1-CD2 4.16Å; L927-F931 HydrophobicContact CD1-CE2 3.68Å; L927-F931 HydrophobicContact CD2-CE2 4.11Å; L927-F931 HydrophobicContact CG-CD2 3.9Å; L927-F931 HydrophobicContact CG-CE2 3.67Å; L927-F931 WeakPolarHBondContact O-CD2 3.39Å; L927-F931 PolarHBondContact O-N 3.18Å; G928-F931 PolarHBondContact O-N 2.89Å; F931-K933 VanDerWaalsContact C-N 3.25Å; F931-K933 PolarHBondContact O-N 3.09Å; F931-N934 WeakPolarHBondContact O-CA 3.36Å; F931-N934 PolarHBondContact O-N 3.09Å; F931-L936 HydrophobicContact CE1-CD1 4.18Å; F931-F939 AromaticContact CE1-CD1 3.76Å; F931-F939 HydrophobicContact CE1-CD1 3.76Å; F931-F939 AromaticContact CE1-CE1 3.68Å; F931-F939 HydrophobicContact CE1-CE1 3.68Å; F931-F939 HydrophobicContact CE1-CG 4.2Å; F931-F939 HydrophobicContact CE1-CZ 4.1Å; F931-F939 HydrophobicContact CZ-CD1 4.19Å; F931-F939 AromaticContact CZ-CE1 3.62Å; F931-F939 HydrophobicContact CZ-CE1 3.62Å; F931-F939 HydrophobicContact CZ-CE2 4.5Å; F931-F939 AromaticContact CZ-CZ 3.81Å; F931-F939 HydrophobicContact CZ-CZ 3.81Å; F931-L942 HydrophobicContact CE2-CD1 4.44Å; F931-L942 HydrophobicContact CE2-CD2 4.26Å; F931-L942 HydrophobicContact CZ-CD1 4.34Å; F931-F957 HydrophobicContact CD2-CE2 4.11Å; F931-F957 HydrophobicContact CD2-CZ 4.23Å; F931-F957 HydrophobicContact CE2-CZ 4.46Å; F931-V960 VanDerWaalsContact C-CG1 3.49Å; F931-V960 HydrophobicContact CB-CG1 3.54Å; F931-L964 HydrophobicContact CB-CD2 4.42Å; F931-L964 HydrophobicContact CD1-CD1 4.24Å; F931-L964 HydrophobicContact CD1-CD2 3.63Å; F931-L964 HydrophobicContact CE1-CD1 4.35Å; F931-L964 HydrophobicContact CE1-CD2 4.17Å; F931-L964 HydrophobicContact CG-CD1 4.43Å; F931-L964 HydrophobicContact CG-CD2 4.22Å
932G88.3Confident89.6Confident51 Ų5150.4 Ų50.453%0.52627%0.268SS..Hα-helixtrans-64.3-28.3176.200000113.4G928 G929 F930 N934 V960G928-G932 PolarHBondContact O-N 3.5Å; G929-G932 PolarHBondContact O-N 2.96Å; F930-G932 PolarHBondContact O-N 2.95Å; G932-N934 PolarHBondContact O-N 3.4Å; G932-V960 VanDerWaalsContact N-CG1 3.31Å
933K87.4Confident89.5Confident140 Ų14047.6 Ų47.661%0.60925%0.249SC*.THydrogen-bonded Turntrans-75.6-10.5172.1-60.5177.5-171.9176.80113E904 G929 F930 F931 P935E904-K933 IonicContact OE1-NZ 3.74Å; E904-K933 PolarHBondContact OE1-NZ 3.13Å; E904-K933 IonicContact OE2-NZ 2.97Å; G929-K933 PolarHBondContact O-N 3.46Å; F930-K933 PolarHBondContact O-N 3.3Å; F930-K933 VanDerWaalsContact O-N 3.14Å; F931-K933 VanDerWaalsContact C-N 3.25Å; F931-K933 PolarHBondContact O-N 3.09Å; K933-P935 VanDerWaalsContact C-CD 3.5Å
934N78.9Confident89.5Confident101 Ų10146.3 Ų46.354%0.5424%0.244SC..  trans48.652.4-174.2-161.620.8000114.9F931 G932 L936F931-N934 WeakPolarHBondContact O-CA 3.36Å; F931-N934 PolarHBondContact O-N 3.09Å; G932-N934 PolarHBondContact O-N 3.4Å; N934-L936 VanDerWaalsContact C-N 3.32Å; N934-L936 PolarHBondContact O-N 3.38Å
935P77.2Confident89.4Confident25 Ų2546.6 Ų46.616%0.16225%0.246CC..  trans-71.1-25.9-178.827.7-31.8000113P907 F930 K933P907-P935 WeakPolarHBondContact CA-O 3.37Å; P907-P935 WeakPolarHBondContact CB-O 3.33Å; F930-P935 HydrophobicContact CD1-CG 4.26Å; F930-P935 HydrophobicContact CD2-CG 3.9Å; F930-P935 HydrophobicContact CE1-CG 3.84Å; F930-P935 HydrophobicContact CE2-CB 4.27Å; F930-P935 HydrophobicContact CE2-CG 3.45Å; F930-P935 VanDerWaalsContact CE2-CG 3.45Å; F930-P935 HydrophobicContact CG-CG 4.29Å; F930-P935 HydrophobicContact CZ-CB 4.35Å; F930-P935 HydrophobicContact CZ-CG 3.42Å; F930-P935 VanDerWaalsContact CZ-CG 3.42Å; F930-P935 WeakPolarHBondContact O-CD 3.39Å; K933-P935 VanDerWaalsContact C-CD 3.5Å
936L85.9Confident89.3Confident5 Ų541.2 Ų41.23%0.02623%0.233CC..  trans-104.5108.3-173.6-53.2-176.5000111.5V906 L909 F930 F931 N934 F939V906-L936 VanDerWaalsContact O-CD2 3.28Å; V906-L936 WeakPolarHBondContact O-CD2 3.49Å; L909-L936 HydrophobicContact CB-CD1 4.28Å; L909-L936 HydrophobicContact CB-CD2 3.99Å; L909-L936 HydrophobicContact CD2-CD1 4.19Å; F930-L936 HydrophobicContact CE1-CD1 3.91Å; F930-L936 HydrophobicContact CE1-CG 4.15Å; F930-L936 HydrophobicContact CZ-CD1 4.1Å; F930-L936 HydrophobicContact CZ-CD2 4.3Å; F930-L936 HydrophobicContact CZ-CG 4.04Å; F931-L936 HydrophobicContact CE1-CD1 4.18Å; N934-L936 VanDerWaalsContact C-N 3.32Å; N934-L936 PolarHBondContact O-N 3.38Å; L936-F939 HydrophobicContact CB-CB 3.92Å; L936-F939 HydrophobicContact CB-CD2 4.48Å; L936-F939 HydrophobicContact CB-CG 4.46Å; L936-F939 HydrophobicContact CD1-CB 4.48Å; L936-F939 HydrophobicContact CD1-CD2 3.57Å; L936-F939 HydrophobicContact CD1-CE2 4.04Å; L936-F939 HydrophobicContact CD1-CG 4.15Å
937K74.9Confident89.2Confident165 Ų16538.5 Ų38.572%0.71722%0.219SC*.THydrogen-bonded Turntrans-74.7-32.9-169.7-67.7-178.7-178.7174.40114.3P907P907-K937 PolarHBondContact O-N 3.37Å
938N80.6Confident89.1Confident98 Ų9842.3 Ų42.352%0.52425%0.245SC..THydrogen-bonded Turntrans-122.833.2-172-66.9-30.7000112.1Q940N938-Q940 WeakPolarHBondContact O-CG 3.35Å; N938-Q940 PolarHBondContact O-N 3.12Å
939F88.6Confident89.2Confident5 Ų542.2 Ų42.22%0.02224%0.243CC..  trans-69.6125.5-175.5-169.8-107.6000111.9L912 F931 L936 Q941 L942 L964 Q966 L967L912-F939 HydrophobicContact CB-CE2 3.73Å; L912-F939 HydrophobicContact CB-CZ 3.85Å; F931-F939 AromaticContact CE1-CD1 3.76Å; F931-F939 HydrophobicContact CE1-CD1 3.76Å; F931-F939 AromaticContact CE1-CE1 3.68Å; F931-F939 HydrophobicContact CE1-CE1 3.68Å; F931-F939 HydrophobicContact CE1-CG 4.2Å; F931-F939 HydrophobicContact CE1-CZ 4.1Å; F931-F939 HydrophobicContact CZ-CD1 4.19Å; F931-F939 AromaticContact CZ-CE1 3.62Å; F931-F939 HydrophobicContact CZ-CE1 3.62Å; F931-F939 HydrophobicContact CZ-CE2 4.5Å; F931-F939 AromaticContact CZ-CZ 3.81Å; F931-F939 HydrophobicContact CZ-CZ 3.81Å; L936-F939 HydrophobicContact CB-CB 3.92Å; L936-F939 HydrophobicContact CB-CD2 4.48Å; L936-F939 HydrophobicContact CB-CG 4.46Å; L936-F939 HydrophobicContact CD1-CB 4.48Å; L936-F939 HydrophobicContact CD1-CD2 3.57Å; L936-F939 HydrophobicContact CD1-CE2 4.04Å; L936-F939 HydrophobicContact CD1-CG 4.15Å; F939-Q941 WeakPolarHBondContact CE2-O 3.32Å; F939-Q941 WeakPolarHBondContact CZ-O 3.4Å; F939-L942 HydrophobicContact CE1-CB 3.87Å; F939-L942 HydrophobicContact CE1-CD1 4.38Å; F939-L942 HydrophobicContact CZ-CB 4.02Å; F939-L942 HydrophobicContact CZ-CD1 4.02Å; F939-L964 HydrophobicContact CD1-CD1 4.37Å; F939-L964 HydrophobicContact CE1-CD1 4.5Å; F939-Q966 CarbonylContact O-C 3.55Å; F939-L967 HydrophobicContact CD1-CD1 4.08Å; F939-L967 HydrophobicContact CE1-CD1 4.05Å
940Q85.8Confident89.2Confident67 Ų6742.1 Ų42.131%0.31324%0.236SC..  trans-121.8-26.5-171.8-66.1175.218.200114.4V910 N938 Q966 L967 V968 F969V910-Q940 HydrophobicContact CG1-CB 3.62Å; V910-Q940 HydrophobicContact CG1-CG 3.7Å; V910-Q940 PolarHBondContact O-N 3.49Å; N938-Q940 WeakPolarHBondContact O-CG 3.35Å; N938-Q940 PolarHBondContact O-N 3.12Å; Q940-Q966 WeakPolarHBondContact CG-O 3.33Å; Q940-L967 WeakPolarHBondContact O-CD1 3.3Å; Q940-V968 HydrophobicContact CB-CB 4.37Å; Q940-V968 HydrophobicContact CB-CG2 4.07Å; Q940-V968 HydrophobicContact CG-CG2 4.14Å; Q940-V968 PolarHBondContact O-N 3.18Å; Q940-F969 PolarHBondContact O-N 3.46Å; Q940-F969 VanDerWaalsContact O-N 3.12Å
941Q89.3Confident89.1Confident23 Ų2342.5 Ų42.511%0.10724%0.239CC..EExtended strand (participates in β ladder)trans-136.6129.1-173.3-52-167.7-7.200113.4V910 K911 L912 F939 F969V910-Q941 PolarHBondContact O-N 3.47Å; K911-Q941 WeakPolarHBondContact CA-O 3.14Å; K911-Q941 HydrophobicContact CB-CB 4.06Å; K911-Q941 HydrophobicContact CD-CB 4.5Å; K911-Q941 HydrophobicContact CD-CG 4.28Å; K911-Q941 VanDerWaalsContact CD-OE1 3.31Å; K911-Q941 HydrophobicContact CG-CB 3.89Å; K911-Q941 HydrophobicContact CG-CG 3.92Å; L912-Q941 PolarHBondContact N-O 3.49Å; F939-Q941 WeakPolarHBondContact CE2-O 3.32Å; F939-Q941 WeakPolarHBondContact CZ-O 3.4Å; Q941-F969 WeakPolarHBondContact CA-O 3.43Å; Q941-F969 HydrophobicContact CB-CB 4.41Å; Q941-F969 HydrophobicContact CB-CD1 4.42Å; Q941-F969 HydrophobicContact CG-CB 4.03Å
942L94.8Very high89.1Confident0 Ų046.8 Ų46.80%026%0.262CS..EExtended strand (participates in β ladder)trans-128.9114.5177.9-174.858.3000111.5L912 F931 F939 L944 F957 F961 L967 F969 F970 D971 F972L912-L942 HydrophobicContact CB-CD1 4.46Å; L912-L942 HydrophobicContact CD2-CD1 4.46Å; L912-L942 WeakPolarHBondContact O-CA 3.46Å; F931-L942 HydrophobicContact CE2-CD1 4.44Å; F931-L942 HydrophobicContact CE2-CD2 4.26Å; F931-L942 HydrophobicContact CZ-CD1 4.34Å; F939-L942 HydrophobicContact CE1-CB 3.87Å; F939-L942 HydrophobicContact CE1-CD1 4.38Å; F939-L942 HydrophobicContact CZ-CB 4.02Å; F939-L942 HydrophobicContact CZ-CD1 4.02Å; L942-L944 HydrophobicContact CD1-CD1 4.33Å; L942-L944 HydrophobicContact CD1-CD2 3.94Å; L942-L944 HydrophobicContact CD1-CG 4.03Å; L942-L944 HydrophobicContact CD2-CD1 4.09Å; L942-L944 HydrophobicContact CD2-CG 4.46Å; L942-L944 HydrophobicContact CG-CD1 4.16Å; L942-L944 HydrophobicContact CG-CD2 4.45Å; L942-L944 HydrophobicContact CG-CG 3.98Å; L942-F957 HydrophobicContact CD2-CE1 4.35Å; L942-F957 HydrophobicContact CD2-CZ 4.02Å; L942-F961 HydrophobicContact CD2-CE2 4.47Å; L942-L967 HydrophobicContact CB-CD1 4.37Å; L942-F969 PolarHBondContact N-O 3.01Å; L942-F969 VanDerWaalsContact N-O 3.14Å; L942-F970 HydrophobicContact CB-CB 4.49Å; L942-F970 CarbonylContact O-C 3.58Å; L942-F970 WeakPolarHBondContact O-CA 3.45Å; L942-D971 PolarHBondContact O-N 3.48Å; L942-F972 HydrophobicContact CD2-CE1 3.97Å; L942-F972 HydrophobicContact CD2-CZ 4.25Å; L942-F972 HydrophobicContact CG-CE1 4.26Å
943N94.8Very high89.4Confident28 Ų2844.3 Ų44.315%0.1524%0.237CC..EExtended strand (participates in β ladder)trans-113.2108.9176.8-174.6-12.7000111L912 G913 L914 A945 D971L912-N943 PolarHBondContact O-N 2.94Å; G913-N943 CarbonylContact C-O 3.57Å; G913-N943 WeakPolarHBondContact CA-O 3.27Å; L914-N943 PolarHBondContact N-O 3.17Å; N943-A945 WeakPolarHBondContact OD1-CB 3.43Å; N943-A945 PolarHBondContact OD1-N 2.95Å; N943-A945 VanDerWaalsContact OD1-N 3.07Å; N943-D971 HydrophobicContact CB-CB 4.49Å
944L96.8Very high89.8Confident2 Ų237.7 Ų37.71%0.0121%0.208CC..  trans-12129.9176.4-52.1177.7000110.8L914 L919 I924 L927 L942 N947 W954 D971 F972L914-L944 HydrophobicContact CB-CD2 3.99Å; L914-L944 HydrophobicContact CD1-CD2 4.17Å; L914-L944 HydrophobicContact CG-CD2 4.31Å; L919-L944 HydrophobicContact CD1-CD2 3.91Å; I924-L944 HydrophobicContact CD1-CD1 3.79Å; L927-L944 HydrophobicContact CD2-CD1 3.73Å; L927-L944 HydrophobicContact CD2-CD2 4.2Å; L942-L944 HydrophobicContact CD1-CD1 4.33Å; L942-L944 HydrophobicContact CD1-CD2 3.94Å; L942-L944 HydrophobicContact CD1-CG 4.03Å; L942-L944 HydrophobicContact CD2-CD1 4.09Å; L942-L944 HydrophobicContact CD2-CG 4.46Å; L942-L944 HydrophobicContact CG-CD1 4.16Å; L942-L944 HydrophobicContact CG-CD2 4.45Å; L942-L944 HydrophobicContact CG-CG 3.98Å; L944-N947 WeakPolarHBondContact O-CB 3.42Å; L944-N947 PolarHBondContact O-ND2 3.18Å; L944-W954 HydrophobicContact CD1-CH2 4.06Å; L944-W954 HydrophobicContact CD1-CZ3 4.43Å; L944-D971 CarbonylContact C-O 3.57Å; L944-D971 WeakPolarHBondContact CA-O 3.46Å; L944-D971 PolarHBondContact N-O 2.98Å; L944-F972 HydrophobicContact CB-CD1 4.12Å; L944-F972 HydrophobicContact CD1-CD1 4.23Å; L944-F972 HydrophobicContact CD1-CE1 3.93Å; L944-F972 HydrophobicContact CG-CD1 4.39Å; L944-F972 HydrophobicContact CG-CE1 4.3Å
945A93.7Very high90.6Very high6 Ų635.8 Ų35.85%0.0520%0.198CC..  trans-59.6148.817800000111.3K915 N916 N943 D971 S973K915-A945 CarbonylContact C-O 3.6Å; K915-A945 WeakPolarHBondContact CA-O 3.46Å; K915-A945 HydrophobicContact CD-CB 4.4Å; K915-A945 HydrophobicContact CG-CB 4.13Å; N916-A945 PolarHBondContact N-O 3.41Å; N943-A945 WeakPolarHBondContact OD1-CB 3.43Å; N943-A945 PolarHBondContact OD1-N 2.95Å; N943-A945 VanDerWaalsContact OD1-N 3.07Å; A945-D971 PolarHBondContact N-O 3.47Å; A945-S973 CarbonylContact C-O 3.59Å; A945-S973 WeakPolarHBondContact CA-O 3.48Å
946G92.3Very high91.4Very high23 Ų2336.6 Ų36.624%0.23721%0.206CC..SBendtrans71.535.5-177.500000113.4R918 S973R918-G946 WeakPolarHBondContact CA-O 3.46Å; R918-G946 PolarHBondContact N-O 2.61Å; G946-S973 PolarHBondContact N-O 2.69Å
947N94.3Very high91.9Very high5 Ų536.5 Ų36.53%0.02721%0.206CC..  trans-89.6169.1175.46881.3000112.6L944 V949 F972 S973 T974L944-N947 WeakPolarHBondContact O-CB 3.42Å; L944-N947 PolarHBondContact O-ND2 3.18Å; N947-V949 HydrophobicContact CB-CG2 4.15Å; N947-V949 PolarHBondContact OD1-N 3.15Å; N947-F972 PolarHBondContact ND2-O 2.87Å; N947-S973 PolarHBondContact ND2-O 3.09Å; N947-T974 PolarHBondContact O-OG1 3.28Å
948C93.8Very high92.8Very high80 Ų8028.7 Ų28.754%0.54117%0.172SC..  trans-124.434177-620000111.1L919L919-C948 CarbonylContact O-C 3.48Å; L919-C948 VanDerWaalsContact O-C 3.29Å; L919-C948 WeakPolarHBondContact O-CA 3.46Å; L919-C948 PolarHBondContact O-N 2.75Å
949V95.4Very high93.1Very high6 Ų625.6 Ų25.64%0.03616%0.163CC..  trans-82.7135.8-176.8-179.40000110.3L919 I924 N947 W954L919-V949 HydrophobicContact CB-CG2 4.45Å; L919-V949 VanDerWaalsContact O-CG2 3.32Å; L919-V949 WeakPolarHBondContact O-CG2 3.18Å; L919-V949 PolarHBondContact O-N 3.37Å; I924-V949 HydrophobicContact CB-CG1 4.25Å; I924-V949 HydrophobicContact CB-CG2 4.05Å; I924-V949 HydrophobicContact CD1-CG2 4.46Å; I924-V949 HydrophobicContact CG1-CG1 4.37Å; I924-V949 HydrophobicContact CG1-CG2 4.37Å; I924-V949 HydrophobicContact CG2-CG1 3.87Å; I924-V949 HydrophobicContact CG2-CG2 4.44Å; N947-V949 HydrophobicContact CB-CG2 4.15Å; N947-V949 PolarHBondContact OD1-N 3.15Å; V949-W954 HydrophobicContact CB-CD2 4.27Å; V949-W954 HydrophobicContact CB-CG 4.48Å; V949-W954 HydrophobicContact CB-CZ2 3.95Å; V949-W954 HydrophobicContact CG1-CB 4.5Å; V949-W954 HydrophobicContact CG1-CD2 3.78Å; V949-W954 HydrophobicContact CG1-CE3 4.48Å; V949-W954 HydrophobicContact CG1-CG 3.77Å; V949-W954 HydrophobicContact CG1-CZ2 4.31Å; V949-W954 HydrophobicContact CG2-CZ2 4.11Å
950S94Very high93.2Very high41 Ų4126.8 Ų26.829%0.28717%0.171SC..  trans-81.7172.3178.5870000112.7D921 D952 G953 W954D921-S950 VanDerWaalsContact CG-OG 3.22Å; D921-S950 WeakPolarHBondContact OD1-CB 3.5Å; D921-S950 PolarHBondContact OD1-N 3.02Å; D921-S950 PolarHBondContact OD1-OG 3.19Å; D921-S950 WeakPolarHBondContact OD2-CB 3.37Å; D921-S950 PolarHBondContact OD2-OG 3.19Å; S950-D952 VanDerWaalsContact C-N 3.26Å; S950-D952 PolarHBondContact O-N 3.47Å; S950-D952 PolarHBondContact OG-N 2.94Å; S950-G953 PolarHBondContact O-N 3.37Å; S950-G953 PolarHBondContact OG-N 2.94Å; S950-W954 PolarHBondContact O-N 2.88Å
951S91.7Very high93.5Very high13 Ų1323.6 Ų23.69%0.09116%0.156CC..Hα-helixtrans-54.1-41.9171.6-69.40000112.5L955 D980S951-L955 VanDerWaalsContact O-CB 3.24Å; S951-L955 WeakPolarHBondContact O-CB 3.38Å; S951-L955 PolarHBondContact O-N 2.94Å; S951-D980 WeakPolarHBondContact CB-OD1 3.43Å; S951-D980 WeakPolarHBondContact CB-OD2 3.33Å; S951-D980 VanDerWaalsContact OG-CG 3.24Å; S951-D980 PolarHBondContact OG-N 3.43Å; S951-D980 PolarHBondContact OG-OD1 2.74Å
952D92.1Very high93.6Very high98 Ų9824 Ų2452%0.52416%0.158SC..Hα-helixtrans-69.8-39.2-179.7-73.9-31.6000112.1S950 L955 A956S950-D952 VanDerWaalsContact C-N 3.26Å; S950-D952 PolarHBondContact O-N 3.47Å; S950-D952 PolarHBondContact OG-N 2.94Å; D952-L955 PolarHBondContact O-N 3.4Å; D952-A956 WeakPolarHBondContact O-CB 3.35Å; D952-A956 PolarHBondContact O-N 3.41Å
953G95.2Very high93.3Very high0 Ų028.6 Ų28.60%018%0.182CC..Hα-helixtrans-60.5-49.7174.900000111.7S950 A956 F957S950-G953 PolarHBondContact O-N 3.37Å; S950-G953 PolarHBondContact OG-N 2.94Å; G953-A956 PolarHBondContact O-N 2.95Å; G953-F957 PolarHBondContact O-N 3.39Å; G953-F957 VanDerWaalsContact O-N 3.09Å
954W96.7Very high93Very high1 Ų127.8 Ų27.80%0.00418%0.178CC..Hα-helixtrans-64-43.4176.3-76.2124.1000112.3I924 L944 V949 S950 A956 F957 M958 F972 F977 L983 W1005I924-W954 HydrophobicContact CD1-CE3 4.34Å; I924-W954 HydrophobicContact CD1-CH2 3.9Å; I924-W954 HydrophobicContact CD1-CZ3 3.63Å; I924-W954 HydrophobicContact CG1-CE3 4.28Å; I924-W954 HydrophobicContact CG1-CZ3 4.06Å; L944-W954 HydrophobicContact CD1-CH2 4.06Å; L944-W954 HydrophobicContact CD1-CZ3 4.43Å; V949-W954 HydrophobicContact CB-CD2 4.27Å; V949-W954 HydrophobicContact CB-CG 4.48Å; V949-W954 HydrophobicContact CB-CZ2 3.95Å; V949-W954 HydrophobicContact CG1-CB 4.5Å; V949-W954 HydrophobicContact CG1-CD2 3.78Å; V949-W954 HydrophobicContact CG1-CE3 4.48Å; V949-W954 HydrophobicContact CG1-CG 3.77Å; V949-W954 HydrophobicContact CG1-CZ2 4.31Å; V949-W954 HydrophobicContact CG2-CZ2 4.11Å; S950-W954 PolarHBondContact O-N 2.88Å; W954-A956 VanDerWaalsContact C-N 3.28Å; W954-A956 PolarHBondContact O-N 2.68Å; W954-F957 HydrophobicContact CE3-CB 4.37Å; W954-F957 AromaticContact CE3-CD1 3.99Å; W954-F957 HydrophobicContact CE3-CD1 3.99Å; W954-F957 HydrophobicContact CE3-CG 4.48Å; W954-F957 AromaticContact CZ3-CD1 3.87Å; W954-F957 HydrophobicContact CZ3-CD1 3.87Å; W954-F957 HydrophobicContact CZ3-CE1 4.29Å; W954-F957 WeakPolarHBondContact O-CB 3.38Å; W954-F957 PolarHBondContact O-N 3.09Å; W954-M958 HydrophobicContact CE3-CE 4.25Å; W954-M958 VanDerWaalsContact O-CG 3.3Å; W954-M958 WeakPolarHBondContact O-CG 3.45Å; W954-M958 PolarHBondContact O-N 3.18Å; W954-F972 HydrophobicContact CE3-CD2 4.37Å; W954-F972 HydrophobicContact CE3-CE2 4.49Å; W954-F972 HydrophobicContact CH2-CB 3.91Å; W954-F972 AromaticContact CH2-CD1 3.56Å; W954-F972 HydrophobicContact CH2-CD1 3.56Å; W954-F972 HydrophobicContact CH2-CD2 4.06Å; W954-F972 HydrophobicContact CH2-CE1 4.06Å; W954-F972 HydrophobicContact CH2-CE2 4.49Å; W954-F972 AromaticContact CH2-CG 3.58Å; W954-F972 HydrophobicContact CH2-CG 3.58Å; W954-F972 HydrophobicContact CH2-CZ 4.5Å; W954-F972 HydrophobicContact CZ2-CB 3.86Å; W954-F972 HydrophobicContact CZ2-CD1 4.36Å; W954-F972 HydrophobicContact CZ2-CG 4.04Å; W954-F972 AromaticContact CZ3-CD1 3.97Å; W954-F972 HydrophobicContact CZ3-CD1 3.97Å; W954-F972 AromaticContact CZ3-CD2 3.94Å; W954-F972 HydrophobicContact CZ3-CD2 3.94Å; W954-F972 HydrophobicContact CZ3-CE1 4.06Å; W954-F972 HydrophobicContact CZ3-CE2 4.02Å; W954-F972 AromaticContact CZ3-CG 3.93Å; W954-F972 HydrophobicContact CZ3-CG 3.93Å; W954-F972 HydrophobicContact CZ3-CZ 4.08Å; W954-F977 AromaticContact CD1-CZ 3.85Å; W954-L983 HydrophobicContact CB-CD1 3.67Å; W954-L983 HydrophobicContact CB-CD2 3.71Å; W954-L983 HydrophobicContact CB-CG 4.36Å; W954-L983 HydrophobicContact CG-CD2 4.38Å; W954-W1005 HydrophobicContact CB-CH2 4.46Å; W954-W1005 AromaticContact CD1-CH2 3.78Å; W954-W1005 AromaticContact CD1-CZ2 3.78Å; W954-W1005 HydrophobicContact CD2-CH2 4.32Å; W954-W1005 HydrophobicContact CD2-CZ2 4.25Å; W954-W1005 AromaticContact CE2-CZ2 3.9Å; W954-W1005 AromaticContact CG-CH2 3.94Å; W954-W1005 HydrophobicContact CG-CH2 3.94Å; W954-W1005 HydrophobicContact CG-CZ2 4.19Å; W954-W1005 AromaticContact NE1-CZ2 3.56Å
955L94.8Very high92.4Very high61 Ų6133.8 Ų33.832%0.31920%0.204SC..Hα-helixtrans-59-41.6179.6-177.265.1000111.3S951 D952 M958 A982 L983 K986S951-L955 VanDerWaalsContact O-CB 3.24Å; S951-L955 WeakPolarHBondContact O-CB 3.38Å; S951-L955 PolarHBondContact O-N 2.94Å; D952-L955 PolarHBondContact O-N 3.4Å; L955-M958 PolarHBondContact O-N 3.18Å; L955-A982 HydrophobicContact CD2-CB 4.28Å; L955-L983 HydrophobicContact CB-CD1 4.48Å; L955-K986 HydrophobicContact CD1-CB 3.89Å; L955-K986 HydrophobicContact CD1-CG 4.16Å
956A93.7Very high92Very high42 Ų4237.2 Ų37.235%0.34722%0.219SC..Hα-helixtrans-63.3-41.6173.900000112.1D952 G953 W954D952-A956 WeakPolarHBondContact O-CB 3.35Å; D952-A956 PolarHBondContact O-N 3.41Å; G953-A956 PolarHBondContact O-N 2.95Å; W954-A956 VanDerWaalsContact C-N 3.28Å; W954-A956 PolarHBondContact O-N 2.68Å
957F96.3Very high91.6Very high3 Ų336.1 Ų36.11%0.01321%0.208CC..Hα-helixtrans-66.5-35.5178.4-174.4-108000113.1I924 L927 F931 L942 G953 W954 G959 V960 F961 F972I924-F957 HydrophobicContact CD1-CD2 4.14Å; I924-F957 HydrophobicContact CD1-CE2 4.39Å; I924-F957 HydrophobicContact CD1-CG 4.2Å; I924-F957 HydrophobicContact CG1-CB 3.84Å; I924-F957 HydrophobicContact CG1-CD1 4.5Å; I924-F957 HydrophobicContact CG1-CD2 3.88Å; I924-F957 HydrophobicContact CG1-CG 3.83Å; L927-F957 HydrophobicContact CD2-CE2 4.21Å; L927-F957 HydrophobicContact CD2-CZ 4.42Å; L927-F957 HydrophobicContact CG-CE2 4.21Å; F931-F957 HydrophobicContact CD2-CE2 4.11Å; F931-F957 HydrophobicContact CD2-CZ 4.23Å; F931-F957 HydrophobicContact CE2-CZ 4.46Å; L942-F957 HydrophobicContact CD2-CE1 4.35Å; L942-F957 HydrophobicContact CD2-CZ 4.02Å; G953-F957 PolarHBondContact O-N 3.39Å; G953-F957 VanDerWaalsContact O-N 3.09Å; W954-F957 HydrophobicContact CE3-CB 4.37Å; W954-F957 AromaticContact CE3-CD1 3.99Å; W954-F957 HydrophobicContact CE3-CD1 3.99Å; W954-F957 HydrophobicContact CE3-CG 4.48Å; W954-F957 AromaticContact CZ3-CD1 3.87Å; W954-F957 HydrophobicContact CZ3-CD1 3.87Å; W954-F957 HydrophobicContact CZ3-CE1 4.29Å; W954-F957 WeakPolarHBondContact O-CB 3.38Å; W954-F957 PolarHBondContact O-N 3.09Å; F957-G959 PolarHBondContact O-N 2.95Å; F957-G959 VanDerWaalsContact O-N 3.1Å; F957-V960 PolarHBondContact O-N 3.36Å; F957-F961 HydrophobicContact CD1-CB 4.02Å; F957-F961 HydrophobicContact CD1-CD2 4.4Å; F957-F961 HydrophobicContact CD1-CG 4.32Å; F957-F961 HydrophobicContact CE1-CB 3.9Å; F957-F961 AromaticContact CE1-CD2 3.56Å; F957-F961 HydrophobicContact CE1-CD2 3.56Å; F957-F961 HydrophobicContact CE1-CE2 4.35Å; F957-F961 AromaticContact CE1-CG 3.91Å; F957-F961 HydrophobicContact CE1-CG 3.91Å; F957-F961 HydrophobicContact CZ-CD2 4.16Å; F957-F961 WeakPolarHBondContact O-CB 3.42Å; F957-F961 PolarHBondContact O-N 3.47Å; F957-F972 HydrophobicContact CE1-CZ 4.07Å
958M94.6Very high90.9Very high0 Ų037 Ų370%021%0.213CC..Hα-helixtrans-58.1-28.3-177.9-71-57.4145.500113.6W954 L955 V960 F961 E962 F972 L983 K986 L987 V990W954-M958 HydrophobicContact CE3-CE 4.25Å; W954-M958 VanDerWaalsContact O-CG 3.3Å; W954-M958 WeakPolarHBondContact O-CG 3.45Å; W954-M958 PolarHBondContact O-N 3.18Å; L955-M958 PolarHBondContact O-N 3.18Å; M958-V960 VanDerWaalsContact C-N 3.27Å; M958-V960 PolarHBondContact O-N 3.18Å; M958-F961 HydrophobicContact CE-CD1 4.46Å; M958-F961 HydrophobicContact SD-CB 4.45Å; M958-F961 HydrophobicContact SD-CD1 3.75Å; M958-F961 HydrophobicContact SD-CG 4.47Å; M958-E962 PolarHBondContact O-N 3.19Å; M958-F972 HydrophobicContact CE-CE2 4.23Å; M958-L983 HydrophobicContact CE-CD1 4.26Å; M958-L983 HydrophobicContact CG-CD1 3.91Å; M958-K986 HydrophobicContact CB-CG 3.61Å; M958-K986 HydrophobicContact CG-CG 4.21Å; M958-L987 HydrophobicContact CE-CD1 3.96Å; M958-L987 HydrophobicContact SD-CD1 3.9Å; M958-V990 HydrophobicContact CB-CG2 4.16Å; M958-V990 HydrophobicContact SD-CG2 4.34Å
959G86.9Confident90.5Very high34 Ų3434.2 Ų34.235%0.35119%0.192SC..Hα-helixtrans-63-32.4176.500000113.6F957 E962F957-G959 PolarHBondContact O-N 2.95Å; F957-G959 VanDerWaalsContact O-N 3.1Å; G959-E962 WeakPolarHBondContact O-CG 3.18Å
960V90.7Very high90.4Very high30 Ų3034 Ų3418%0.18219%0.19CC..Hα-helixtrans-92.9-37176.7-179.70000110.9G928 F931 G932 F957 M958 E962 N963G928-V960 WeakPolarHBondContact O-CG1 3.25Å; F931-V960 VanDerWaalsContact C-CG1 3.49Å; F931-V960 HydrophobicContact CB-CG1 3.54Å; G932-V960 VanDerWaalsContact N-CG1 3.31Å; F957-V960 PolarHBondContact O-N 3.36Å; M958-V960 VanDerWaalsContact C-N 3.27Å; M958-V960 PolarHBondContact O-N 3.18Å; V960-E962 PolarHBondContact O-N 3.33Å; V960-N963 WeakPolarHBondContact O-CB 3.39Å; V960-N963 PolarHBondContact O-N 3.35Å
961F92.6Very high90.4Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-55.3-34.9-179.2-170.7-122000113L942 F957 M958 N963 L964 L967 F970 F972 V990 L994L942-F961 HydrophobicContact CD2-CE2 4.47Å; F957-F961 HydrophobicContact CD1-CB 4.02Å; F957-F961 HydrophobicContact CD1-CD2 4.4Å; F957-F961 HydrophobicContact CD1-CG 4.32Å; F957-F961 HydrophobicContact CE1-CB 3.9Å; F957-F961 AromaticContact CE1-CD2 3.56Å; F957-F961 HydrophobicContact CE1-CD2 3.56Å; F957-F961 HydrophobicContact CE1-CE2 4.35Å; F957-F961 AromaticContact CE1-CG 3.91Å; F957-F961 HydrophobicContact CE1-CG 3.91Å; F957-F961 HydrophobicContact CZ-CD2 4.16Å; F957-F961 WeakPolarHBondContact O-CB 3.42Å; F957-F961 PolarHBondContact O-N 3.47Å; M958-F961 HydrophobicContact CE-CD1 4.46Å; M958-F961 HydrophobicContact SD-CB 4.45Å; M958-F961 HydrophobicContact SD-CD1 3.75Å; M958-F961 HydrophobicContact SD-CG 4.47Å; F961-N963 PolarHBondContact O-N 2.99Å; F961-L964 HydrophobicContact CD2-CD1 3.73Å; F961-L964 HydrophobicContact CE2-CD1 4.11Å; F961-L964 PolarHBondContact O-N 3.36Å; F961-L964 VanDerWaalsContact O-N 3.09Å; F961-L967 HydrophobicContact CE1-CD2 4.47Å; F961-L967 HydrophobicContact CE2-CD2 3.38Å; F961-L967 HydrophobicContact CZ-CD2 3.33Å; F961-F970 HydrophobicContact CE1-CD1 4.43Å; F961-F970 HydrophobicContact CE1-CE1 4.39Å; F961-F970 HydrophobicContact CZ-CB 4.34Å; F961-F970 AromaticContact CZ-CD1 3.77Å; F961-F970 HydrophobicContact CZ-CD1 3.77Å; F961-F970 HydrophobicContact CZ-CD2 4.49Å; F961-F970 HydrophobicContact CZ-CE1 4.17Å; F961-F970 AromaticContact CZ-CG 3.94Å; F961-F970 HydrophobicContact CZ-CG 3.94Å; F961-F972 HydrophobicContact CD2-CZ 4.26Å; F961-F972 HydrophobicContact CE1-CE2 4.1Å; F961-F972 HydrophobicContact CE1-CZ 4.35Å; F961-F972 HydrophobicContact CE2-CE2 4.27Å; F961-F972 AromaticContact CE2-CZ 3.69Å; F961-F972 HydrophobicContact CE2-CZ 3.69Å; F961-F972 AromaticContact CZ-CE2 3.91Å; F961-F972 HydrophobicContact CZ-CE2 3.91Å; F961-F972 AromaticContact CZ-CZ 3.75Å; F961-F972 HydrophobicContact CZ-CZ 3.75Å; F961-V990 HydrophobicContact CD1-CG1 3.53Å; F961-V990 HydrophobicContact CE1-CG1 4.06Å; F961-V990 HydrophobicContact CG-CG1 4.4Å; F961-L994 HydrophobicContact CE1-CD1 3.91Å; F961-L994 HydrophobicContact CZ-CD1 4.12Å
962E89.8Confident90.7Very high32 Ų3231.8 Ų31.815%0.1518%0.175CC..THydrogen-bonded Turntrans-62.1-14.2176.360.5169.8-122.400115.3M958 G959 V960 K986 H989 V990 K993M958-E962 PolarHBondContact O-N 3.19Å; G959-E962 WeakPolarHBondContact O-CG 3.18Å; V960-E962 PolarHBondContact O-N 3.33Å; E962-K986 IonicContact OE2-NZ 2.8Å; E962-K986 PolarHBondContact OE2-NZ 2.87Å; E962-H989 IonicContact OE2-CD2 3.27Å; E962-V990 HydrophobicContact CB-CB 4.27Å; E962-V990 HydrophobicContact CB-CG1 3.89Å; E962-V990 HydrophobicContact CB-CG2 3.79Å; E962-K993 HydrophobicContact CB-CD 4.08Å; E962-K993 IonicContact OE1-NZ 3.19Å; E962-K993 PolarHBondContact OE1-NZ 2.81Å; E962-K993 IonicContact OE2-NZ 3.7Å; E962-K993 PolarHBondContact OE2-NZ 2.91Å
963N88.8Confident90.7Very high96 Ų9627.8 Ų27.851%0.51315%0.154SC..THydrogen-bonded Turntrans-87.6-11.5177.7-62-43.6000113.3V960 F961 K965V960-N963 WeakPolarHBondContact O-CB 3.39Å; V960-N963 PolarHBondContact O-N 3.35Å; F961-N963 PolarHBondContact O-N 2.99Å; N963-K965 PolarHBondContact O-N 2.75Å
964L89.3Confident90.6Very high11 Ų1129.3 Ų29.36%0.05816%0.163CC..  trans-8059.7179.4-54.5178.7000111.1F931 F939 F961 Q966 L967 L994F931-L964 HydrophobicContact CB-CD2 4.42Å; F931-L964 HydrophobicContact CD1-CD1 4.24Å; F931-L964 HydrophobicContact CD1-CD2 3.63Å; F931-L964 HydrophobicContact CE1-CD1 4.35Å; F931-L964 HydrophobicContact CE1-CD2 4.17Å; F931-L964 HydrophobicContact CG-CD1 4.43Å; F931-L964 HydrophobicContact CG-CD2 4.22Å; F939-L964 HydrophobicContact CD1-CD1 4.37Å; F939-L964 HydrophobicContact CE1-CD1 4.5Å; F961-L964 HydrophobicContact CD2-CD1 3.73Å; F961-L964 HydrophobicContact CE2-CD1 4.11Å; F961-L964 PolarHBondContact O-N 3.36Å; F961-L964 VanDerWaalsContact O-N 3.09Å; L964-Q966 PolarHBondContact O-N 2.81Å; L964-Q966 VanDerWaalsContact O-N 3.1Å; L964-L967 HydrophobicContact CB-CB 4.32Å; L964-L967 WeakPolarHBondContact O-CB 3.49Å; L964-L967 PolarHBondContact O-N 2.94Å; L964-L994 VanDerWaalsContact O-CD2 3.29Å; L964-L994 WeakPolarHBondContact O-CD2 3.41Å
965K84.8Confident90.1Very high127 Ų12738.7 Ų38.755%0.55220%0.204SC*.THydrogen-bonded Turntrans-61.2-25.8-170.6-63.7-176.7-178.4-179.90114.1N963 L967 F996N963-K965 PolarHBondContact O-N 2.75Å; K965-L967 PolarHBondContact O-N 3.18Å; K965-F996 VanDerWaalsContact O-CD2 3.29Å; K965-F996 WeakPolarHBondContact O-CD2 3.26Å
966Q83.9Confident89.6Confident79 Ų7943.4 Ų43.437%0.36923%0.225SC..THydrogen-bonded Turntrans-82.92.5179-61-59.9-35.300113.2F939 Q940 L964 V968F939-Q966 CarbonylContact O-C 3.55Å; Q940-Q966 WeakPolarHBondContact CG-O 3.33Å; L964-Q966 PolarHBondContact O-N 2.81Å; L964-Q966 VanDerWaalsContact O-N 3.1Å; Q966-V968 PolarHBondContact O-N 3.11Å
967L84.4Confident89.3Confident0 Ų042.6 Ų42.60%021%0.214CC..  trans-65.6125.1-177.4-159.478000111.3F939 Q940 L942 F961 L964 K965 F970 L994 F996 L997F939-L967 HydrophobicContact CD1-CD1 4.08Å; F939-L967 HydrophobicContact CE1-CD1 4.05Å; Q940-L967 WeakPolarHBondContact O-CD1 3.3Å; L942-L967 HydrophobicContact CB-CD1 4.37Å; F961-L967 HydrophobicContact CE1-CD2 4.47Å; F961-L967 HydrophobicContact CE2-CD2 3.38Å; F961-L967 HydrophobicContact CZ-CD2 3.33Å; L964-L967 HydrophobicContact CB-CB 4.32Å; L964-L967 WeakPolarHBondContact O-CB 3.49Å; L964-L967 PolarHBondContact O-N 2.94Å; K965-L967 PolarHBondContact O-N 3.18Å; L967-F970 HydrophobicContact CD2-CB 4.07Å; L967-F970 HydrophobicContact CD2-CD1 3.91Å; L967-F970 HydrophobicContact CD2-CG 4.38Å; L967-L994 HydrophobicContact CB-CD2 4.5Å; L967-L994 HydrophobicContact CD2-CD1 4.13Å; L967-F996 CarbonylContact O-C 3.56Å; L967-L997 WeakPolarHBondContact O-CA 3.34Å; L967-L997 PolarHBondContact O-N 2.99Å
968V79.6Confident88.7Confident24 Ų2445.1 Ų45.115%0.14523%0.227CC..  trans-103.5-32.8179.4179.30000111Q940 Q966 Q998 E999Q940-V968 HydrophobicContact CB-CB 4.37Å; Q940-V968 HydrophobicContact CB-CG2 4.07Å; Q940-V968 HydrophobicContact CG-CG2 4.14Å; Q940-V968 PolarHBondContact O-N 3.18Å; Q966-V968 PolarHBondContact O-N 3.11Å; V968-Q998 HydrophobicContact CG1-CB 3.92Å; V968-Q998 HydrophobicContact CG1-CG 3.79Å; V968-Q998 PolarHBondContact O-N 2.85Å; V968-E999 PolarHBondContact O-N 3.19Å
969F86.5Confident88.3Confident21 Ų2145.2 Ų45.29%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-143.1140.1-176.8175.2-92.2000111.5Q940 Q941 L942 D971 E999 R1001Q940-F969 PolarHBondContact O-N 3.46Å; Q940-F969 VanDerWaalsContact O-N 3.12Å; Q941-F969 WeakPolarHBondContact CA-O 3.43Å; Q941-F969 HydrophobicContact CB-CB 4.41Å; Q941-F969 HydrophobicContact CB-CD1 4.42Å; Q941-F969 HydrophobicContact CG-CB 4.03Å; L942-F969 PolarHBondContact N-O 3.01Å; L942-F969 VanDerWaalsContact N-O 3.14Å; F969-D971 HydrophobicContact CE1-CB 3.85Å; F969-D971 HydrophobicContact CZ-CB 3.84Å; F969-E999 WeakPolarHBondContact CA-O 3.38Å; F969-E999 HydrophobicContact CD2-CB 3.98Å; F969-E999 HydrophobicContact CD2-CG 4.06Å; F969-E999 HydrophobicContact CE2-CB 4.48Å; F969-E999 HydrophobicContact CE2-CG 4.05Å; F969-R1001 HydrophobicContact CE2-CG 4Å; F969-R1001 HydrophobicContact CZ-CG 4.22Å
970F93.2Very high88.3Confident0 Ų046.7 Ų46.70%023%0.227CC..EExtended strand (participates in β ladder)trans-142.9154.2160.470.6-91.2000112.7L942 F961 L967 F972 L991 L997 E999 A1000 R1001 L1002L942-F970 HydrophobicContact CB-CB 4.49Å; L942-F970 CarbonylContact O-C 3.58Å; L942-F970 WeakPolarHBondContact O-CA 3.45Å; F961-F970 HydrophobicContact CE1-CD1 4.43Å; F961-F970 HydrophobicContact CE1-CE1 4.39Å; F961-F970 HydrophobicContact CZ-CB 4.34Å; F961-F970 AromaticContact CZ-CD1 3.77Å; F961-F970 HydrophobicContact CZ-CD1 3.77Å; F961-F970 HydrophobicContact CZ-CD2 4.49Å; F961-F970 HydrophobicContact CZ-CE1 4.17Å; F961-F970 AromaticContact CZ-CG 3.94Å; F961-F970 HydrophobicContact CZ-CG 3.94Å; L967-F970 HydrophobicContact CD2-CB 4.07Å; L967-F970 HydrophobicContact CD2-CD1 3.91Å; L967-F970 HydrophobicContact CD2-CG 4.38Å; F970-F972 HydrophobicContact CB-CE1 4.24Å; F970-F972 HydrophobicContact CB-CZ 4.21Å; F970-F972 HydrophobicContact CD2-CD1 4.15Å; F970-F972 AromaticContact CD2-CD2 3.57Å; F970-F972 HydrophobicContact CD2-CD2 3.57Å; F970-F972 HydrophobicContact CD2-CE1 4.12Å; F970-F972 AromaticContact CD2-CE2 3.55Å; F970-F972 HydrophobicContact CD2-CE2 3.55Å; F970-F972 AromaticContact CD2-CG 3.88Å; F970-F972 HydrophobicContact CD2-CG 3.88Å; F970-F972 AromaticContact CD2-CZ 3.83Å; F970-F972 HydrophobicContact CD2-CZ 3.83Å; F970-F972 AromaticContact CE2-CD2 3.69Å; F970-F972 HydrophobicContact CE2-CD2 3.69Å; F970-F972 AromaticContact CE2-CE2 3.84Å; F970-F972 HydrophobicContact CE2-CE2 3.84Å; F970-F972 HydrophobicContact CE2-CG 4.3Å; F970-F972 HydrophobicContact CG-CE2 4.23Å; F970-F972 HydrophobicContact CG-CZ 4.18Å; F970-L991 HydrophobicContact CE1-CD2 3.69Å; F970-L991 HydrophobicContact CZ-CD2 3.83Å; F970-L997 HydrophobicContact CD1-CD1 3.77Å; F970-L997 HydrophobicContact CE1-CD1 3.91Å; F970-L997 HydrophobicContact CE1-CD2 3.96Å; F970-E999 PolarHBondContact N-O 3.41Å; F970-A1000 HydrophobicContact CD1-CB 4.39Å; F970-A1000 HydrophobicContact CE1-CB 3.57Å; F970-A1000 HydrophobicContact CE2-CB 4.15Å; F970-A1000 HydrophobicContact CZ-CB 3.42Å; F970-A1000 VanDerWaalsContact CZ-CB 3.42Å; F970-R1001 PolarHBondContact O-N 3.38Å; F970-L1002 HydrophobicContact CE2-CD2 3.85Å; F970-L1002 HydrophobicContact CE2-CG 4.21Å
971D93.6Very high87.7Confident9 Ų946 Ų465%0.04823%0.225CC..EExtended strand (participates in β ladder)trans-133.2110.8175.3-167.9-15.7000110.7L942 N943 L944 A945 F969 S973 R1001L942-D971 PolarHBondContact O-N 3.48Å; N943-D971 HydrophobicContact CB-CB 4.49Å; L944-D971 CarbonylContact C-O 3.57Å; L944-D971 WeakPolarHBondContact CA-O 3.46Å; L944-D971 PolarHBondContact N-O 2.98Å; A945-D971 PolarHBondContact N-O 3.47Å; F969-D971 HydrophobicContact CE1-CB 3.85Å; F969-D971 HydrophobicContact CZ-CB 3.84Å; D971-S973 WeakPolarHBondContact OD1-CB 3.46Å; D971-S973 PolarHBondContact OD1-N 3.21Å; D971-S973 PolarHBondContact OD1-OG 3.06Å; D971-R1001 HydrophobicContact CB-CB 4.01Å; D971-R1001 WeakPolarHBondContact OD2-CD 3.45Å
972F96.8Very high87.4Confident0 Ų048.2 Ų48.20%024%0.243CC..  trans-112.624.7175.5-56.8-28000111.9L942 L944 N947 W954 F957 M958 F961 F970 R1001 L1002 W1005L942-F972 HydrophobicContact CD2-CE1 3.97Å; L942-F972 HydrophobicContact CD2-CZ 4.25Å; L942-F972 HydrophobicContact CG-CE1 4.26Å; L944-F972 HydrophobicContact CB-CD1 4.12Å; L944-F972 HydrophobicContact CD1-CD1 4.23Å; L944-F972 HydrophobicContact CD1-CE1 3.93Å; L944-F972 HydrophobicContact CG-CD1 4.39Å; L944-F972 HydrophobicContact CG-CE1 4.3Å; N947-F972 PolarHBondContact ND2-O 2.87Å; W954-F972 HydrophobicContact CE3-CD2 4.37Å; W954-F972 HydrophobicContact CE3-CE2 4.49Å; W954-F972 HydrophobicContact CH2-CB 3.91Å; W954-F972 AromaticContact CH2-CD1 3.56Å; W954-F972 HydrophobicContact CH2-CD1 3.56Å; W954-F972 HydrophobicContact CH2-CD2 4.06Å; W954-F972 HydrophobicContact CH2-CE1 4.06Å; W954-F972 HydrophobicContact CH2-CE2 4.49Å; W954-F972 AromaticContact CH2-CG 3.58Å; W954-F972 HydrophobicContact CH2-CG 3.58Å; W954-F972 HydrophobicContact CH2-CZ 4.5Å; W954-F972 HydrophobicContact CZ2-CB 3.86Å; W954-F972 HydrophobicContact CZ2-CD1 4.36Å; W954-F972 HydrophobicContact CZ2-CG 4.04Å; W954-F972 AromaticContact CZ3-CD1 3.97Å; W954-F972 HydrophobicContact CZ3-CD1 3.97Å; W954-F972 AromaticContact CZ3-CD2 3.94Å; W954-F972 HydrophobicContact CZ3-CD2 3.94Å; W954-F972 HydrophobicContact CZ3-CE1 4.06Å; W954-F972 HydrophobicContact CZ3-CE2 4.02Å; W954-F972 AromaticContact CZ3-CG 3.93Å; W954-F972 HydrophobicContact CZ3-CG 3.93Å; W954-F972 HydrophobicContact CZ3-CZ 4.08Å; F957-F972 HydrophobicContact CE1-CZ 4.07Å; M958-F972 HydrophobicContact CE-CE2 4.23Å; F961-F972 HydrophobicContact CD2-CZ 4.26Å; F961-F972 HydrophobicContact CE1-CE2 4.1Å; F961-F972 HydrophobicContact CE1-CZ 4.35Å; F961-F972 HydrophobicContact CE2-CE2 4.27Å; F961-F972 AromaticContact CE2-CZ 3.69Å; F961-F972 HydrophobicContact CE2-CZ 3.69Å; F961-F972 AromaticContact CZ-CE2 3.91Å; F961-F972 HydrophobicContact CZ-CE2 3.91Å; F961-F972 AromaticContact CZ-CZ 3.75Å; F961-F972 HydrophobicContact CZ-CZ 3.75Å; F970-F972 HydrophobicContact CB-CE1 4.24Å; F970-F972 HydrophobicContact CB-CZ 4.21Å; F970-F972 HydrophobicContact CD2-CD1 4.15Å; F970-F972 AromaticContact CD2-CD2 3.57Å; F970-F972 HydrophobicContact CD2-CD2 3.57Å; F970-F972 HydrophobicContact CD2-CE1 4.12Å; F970-F972 AromaticContact CD2-CE2 3.55Å; F970-F972 HydrophobicContact CD2-CE2 3.55Å; F970-F972 AromaticContact CD2-CG 3.88Å; F970-F972 HydrophobicContact CD2-CG 3.88Å; F970-F972 AromaticContact CD2-CZ 3.83Å; F970-F972 HydrophobicContact CD2-CZ 3.83Å; F970-F972 AromaticContact CE2-CD2 3.69Å; F970-F972 HydrophobicContact CE2-CD2 3.69Å; F970-F972 AromaticContact CE2-CE2 3.84Å; F970-F972 HydrophobicContact CE2-CE2 3.84Å; F970-F972 HydrophobicContact CE2-CG 4.3Å; F970-F972 HydrophobicContact CG-CE2 4.23Å; F970-F972 HydrophobicContact CG-CZ 4.18Å; F972-R1001 PolarHBondContact N-O 3.08Å; F972-L1002 HydrophobicContact CB-CD2 4.09Å; F972-L1002 HydrophobicContact CD2-CD2 4.27Å; F972-W1005 HydrophobicContact CB-CZ2 4.05Å; F972-W1005 PolarHBondContact O-NE1 2.87Å
973S92.9Very high87.6Confident14 Ų1446.7 Ų46.710%0.09824%0.236CC..  trans-58.6145.2-175.7-58.30000112.4A945 G946 N947 D971 V1003A945-S973 CarbonylContact C-O 3.59Å; A945-S973 WeakPolarHBondContact CA-O 3.48Å; G946-S973 PolarHBondContact N-O 2.69Å; N947-S973 PolarHBondContact ND2-O 3.09Å; D971-S973 WeakPolarHBondContact OD1-CB 3.46Å; D971-S973 PolarHBondContact OD1-N 3.21Å; D971-S973 PolarHBondContact OD1-OG 3.06Å; S973-V1003 CarbonylContact C-O 3.52Å; S973-V1003 WeakPolarHBondContact CA-O 3.3Å; S973-V1003 WeakPolarHBondContact CB-O 3.26Å; S973-V1003 WeakPolarHBondContact OG-CB 3.3Å; S973-V1003 PolarHBondContact OG-N 3.2Å; S973-V1003 VanDerWaalsContact OG-N 3.15Å
974T92.8Very high87.6Confident31 Ų3142.2 Ų42.219%0.1921%0.212CC..  trans-146.4176.6175.2-172.50000109.4N947 F977 V1003 G1004N947-T974 PolarHBondContact O-OG1 3.28Å; T974-F977 HydrophobicContact CG2-CB 3.39Å; T974-F977 HydrophobicContact CG2-CG 4.27Å; T974-V1003 PolarHBondContact N-O 3.03Å; T974-V1003 VanDerWaalsContact O-O 3.07Å; T974-G1004 WeakPolarHBondContact O-CA 3.3Å
975K85.4Confident87.4Confident198 Ų19847.3 Ų47.386%0.86123%0.23SC*.SBendtrans-69.9-55.1-175.8-71.7-173.1-178.1-1750111.9
976E84.8Confident87.7Confident161 Ų16144.1 Ų44.175%0.75222%0.216SC*.SBendtrans-147.8123.3178.3-68.9-175.7174.100108.7
977F87.2Confident88.2Confident25 Ų2540.3 Ų40.311%0.1120%0.199CC..BIsolated β-bridgetrans-147.4126.2178.9178.5-109.1000111.1W954 T974 P979 L983 G1004 W1005 Q1006W954-F977 AromaticContact CD1-CZ 3.85Å; T974-F977 HydrophobicContact CG2-CB 3.39Å; T974-F977 HydrophobicContact CG2-CG 4.27Å; F977-P979 HydrophobicContact CD1-CB 4.33Å; F977-P979 HydrophobicContact CE1-CB 3.73Å; F977-P979 HydrophobicContact CZ-CB 4.42Å; F977-P979 WeakPolarHBondContact O-CD 3.46Å; F977-L983 HydrophobicContact CE1-CD2 3.92Å; F977-L983 HydrophobicContact CZ-CD2 3.87Å; F977-G1004 PolarHBondContact N-O 3.43Å; F977-W1005 HydrophobicContact CD1-CB 4.5Å; F977-W1005 AromaticContact CD1-CD2 3.48Å; F977-W1005 HydrophobicContact CD1-CD2 3.48Å; F977-W1005 VanDerWaalsContact CD1-CD2 3.48Å; F977-W1005 AromaticContact CD1-CE2 3.72Å; F977-W1005 AromaticContact CD1-CE3 3.73Å; F977-W1005 HydrophobicContact CD1-CE3 3.73Å; F977-W1005 AromaticContact CD1-CG 3.84Å; F977-W1005 HydrophobicContact CD1-CG 3.84Å; F977-W1005 HydrophobicContact CD1-CH2 4.41Å; F977-W1005 HydrophobicContact CD1-CZ2 4.18Å; F977-W1005 HydrophobicContact CD1-CZ3 4.2Å; F977-W1005 AromaticContact CE1-CD2 3.82Å; F977-W1005 HydrophobicContact CE1-CD2 3.82Å; F977-W1005 AromaticContact CE1-CE2 3.96Å; F977-W1005 AromaticContact CE1-CE3 3.62Å; F977-W1005 HydrophobicContact CE1-CE3 3.62Å; F977-W1005 AromaticContact CE1-CH2 3.81Å; F977-W1005 HydrophobicContact CE1-CH2 3.81Å; F977-W1005 AromaticContact CE1-CZ2 3.96Å; F977-W1005 HydrophobicContact CE1-CZ2 3.96Å; F977-W1005 AromaticContact CE1-CZ3 3.64Å; F977-W1005 HydrophobicContact CE1-CZ3 3.64Å; F977-W1005 CarbonylContact O-C 3.54Å; F977-W1005 WeakPolarHBondContact O-CA 3.25Å; F977-Q1006 PolarHBondContact O-N 3.22Å
978L83.8Confident88.2Confident56 Ų5641.7 Ų41.729%0.29321%0.208SC..  trans-104.4105.5174.7-176.766.6000108.2Q1006L978-Q1006 HydrophobicContact CD1-CB 3.91Å
979P87.9Confident88.6Confident2 Ų244.7 Ų44.71%0.01322%0.22CC..  trans-73140.9-177.228.6-33.7000112.1F977 L983 V984 W1005 Q1006 F1007F977-P979 HydrophobicContact CD1-CB 4.33Å; F977-P979 HydrophobicContact CE1-CB 3.73Å; F977-P979 HydrophobicContact CZ-CB 4.42Å; F977-P979 WeakPolarHBondContact O-CD 3.46Å; P979-L983 HydrophobicContact CB-CD2 4.01Å; P979-L983 HydrophobicContact CB-CG 4.49Å; P979-V984 HydrophobicContact CB-CG2 3.85Å; P979-V984 HydrophobicContact CG-CG2 3.81Å; P979-W1005 HydrophobicContact CB-CE3 4.01Å; P979-W1005 HydrophobicContact CB-CZ3 4.17Å; P979-W1005 HydrophobicContact CG-CE3 4.2Å; P979-Q1006 WeakPolarHBondContact CD-O 3.11Å; P979-F1007 HydrophobicContact CG-CD1 3.94Å; P979-F1007 HydrophobicContact CG-CE1 3.68Å
980D85.6Confident88.8Confident65 Ų6543.7 Ų43.735%0.34822%0.216SC..  trans-68.4148.9172.8-66.59.4000111S951 A982 L983 V984S951-D980 WeakPolarHBondContact CB-OD1 3.43Å; S951-D980 WeakPolarHBondContact CB-OD2 3.33Å; S951-D980 VanDerWaalsContact OG-CG 3.24Å; S951-D980 PolarHBondContact OG-N 3.43Å; S951-D980 PolarHBondContact OG-OD1 2.74Å; D980-A982 PolarHBondContact O-N 3Å; D980-A982 VanDerWaalsContact O-N 3.09Å; D980-L983 WeakPolarHBondContact O-CA 3.42Å; D980-L983 WeakPolarHBondContact O-CB 3.39Å; D980-L983 PolarHBondContact O-N 3.03Å; D980-V984 PolarHBondContact O-N 3.11Å
981A78.9Confident88.4Confident15 Ų1544 Ų4412%0.12422%0.218CC..Hα-helixtrans-52.3-37.1177.700000113.8D49 V984 R985D49-A981 HydrophobicContact CB-CB 4.39Å; D49-A981 WeakPolarHBondContact OD1-CB 3.39Å; A981-V984 PolarHBondContact O-N 3.31Å; A981-R985 WeakPolarHBondContact O-CG 3.44Å; A981-R985 PolarHBondContact O-N 3.33Å; A981-R985 VanDerWaalsContact O-N 3.11Å; A981-R985 PolarHBondContact O-NH1 2.69Å
982A86.1Confident87.8Confident46 Ų4647.8 Ų47.838%0.3825%0.245SC..Hα-helixtrans-64.4-41177.300000111.8L955 D980 K986L955-A982 HydrophobicContact CD2-CB 4.28Å; D980-A982 PolarHBondContact O-N 3Å; D980-A982 VanDerWaalsContact O-N 3.09Å; A982-K986 WeakPolarHBondContact O-CB 3.08Å; A982-K986 PolarHBondContact O-N 2.83Å
983L93.1Very high87.2Confident1 Ų151.3 Ų51.31%0.00526%0.26CS..Hα-helixtrans-65.2-46.9176.2173.959.3000111.1W954 L955 M958 F977 P979 D980 R985 K986 L987 W1005W954-L983 HydrophobicContact CB-CD1 3.67Å; W954-L983 HydrophobicContact CB-CD2 3.71Å; W954-L983 HydrophobicContact CB-CG 4.36Å; W954-L983 HydrophobicContact CG-CD2 4.38Å; L955-L983 HydrophobicContact CB-CD1 4.48Å; M958-L983 HydrophobicContact CE-CD1 4.26Å; M958-L983 HydrophobicContact CG-CD1 3.91Å; F977-L983 HydrophobicContact CE1-CD2 3.92Å; F977-L983 HydrophobicContact CZ-CD2 3.87Å; P979-L983 HydrophobicContact CB-CD2 4.01Å; P979-L983 HydrophobicContact CB-CG 4.49Å; D980-L983 WeakPolarHBondContact O-CA 3.42Å; D980-L983 WeakPolarHBondContact O-CB 3.39Å; D980-L983 PolarHBondContact O-N 3.03Å; L983-R985 PolarHBondContact O-N 3.27Å; L983-K986 PolarHBondContact O-N 2.93Å; L983-L987 VanDerWaalsContact O-CB 3.25Å; L983-L987 WeakPolarHBondContact O-CB 3.47Å; L983-L987 PolarHBondContact O-N 2.88Å; L983-W1005 HydrophobicContact CD2-CH2 3.98Å; L983-W1005 HydrophobicContact CD2-CZ3 3.78Å; L983-W1005 HydrophobicContact CG-CZ3 4.28Å
984V88.5Confident86.6Confident1 Ų151 Ų511%0.00626%0.257CS..Hα-helixtrans-60.5-46.1-179.9-174.60000111.3P979 D980 A981 K986 L987 S988 F1007 D1011 I1014 I1015P979-V984 HydrophobicContact CB-CG2 3.85Å; P979-V984 HydrophobicContact CG-CG2 3.81Å; D980-V984 PolarHBondContact O-N 3.11Å; A981-V984 PolarHBondContact O-N 3.31Å; V984-K986 VanDerWaalsContact C-N 3.35Å; V984-K986 PolarHBondContact O-N 2.95Å; V984-L987 PolarHBondContact O-N 3.23Å; V984-S988 WeakPolarHBondContact O-CB 3.39Å; V984-S988 PolarHBondContact O-N 3Å; V984-F1007 HydrophobicContact CG2-CD1 4.47Å; V984-F1007 HydrophobicContact CG2-CE1 4.28Å; V984-D1011 HydrophobicContact CG1-CB 3.86Å; V984-I1014 HydrophobicContact CG1-CD1 3.91Å; V984-I1014 HydrophobicContact CG1-CG1 4.38Å; V984-I1015 HydrophobicContact CG1-CG2 4Å
985R85.5Confident86Confident118 Ų11854.8 Ų54.845%0.44528%0.28SS..Hα-helixtrans-62-42.7177.5-68.1-168.7-143.8100.8-17.4112D49 A981 L983 H989D49-R985 IonicContact OD1-NH2 3.42Å; D49-R985 IonicContact OD2-CZ 3.58Å; D49-R985 IonicContact OD2-NE 2.73Å; D49-R985 IonicContact OD2-NH2 3.57Å; D49-R985 PolarHBondContact OD2-NH2 2.61Å; A981-R985 WeakPolarHBondContact O-CG 3.44Å; A981-R985 PolarHBondContact O-N 3.33Å; A981-R985 VanDerWaalsContact O-N 3.11Å; A981-R985 PolarHBondContact O-NH1 2.69Å; L983-R985 PolarHBondContact O-N 3.27Å; R985-H989 PolarHBondContact O-N 2.87Å; R985-H989 VanDerWaalsContact O-N 3.12Å
986K92.1Very high85.4Confident60 Ų6050.4 Ų50.426%0.26126%0.262SS..Hα-helixtrans-67.1-40.8177.5-175.861.1174.31720111.2L955 M958 E962 A982 L983 V984 H989 V990L955-K986 HydrophobicContact CD1-CB 3.89Å; L955-K986 HydrophobicContact CD1-CG 4.16Å; M958-K986 HydrophobicContact CB-CG 3.61Å; M958-K986 HydrophobicContact CG-CG 4.21Å; E962-K986 IonicContact OE2-NZ 2.8Å; E962-K986 PolarHBondContact OE2-NZ 2.87Å; A982-K986 WeakPolarHBondContact O-CB 3.08Å; A982-K986 PolarHBondContact O-N 2.83Å; L983-K986 PolarHBondContact O-N 2.93Å; V984-K986 VanDerWaalsContact C-N 3.35Å; V984-K986 PolarHBondContact O-N 2.95Å; K986-H989 WeakPolarHBondContact O-CB 3.31Å; K986-H989 PolarHBondContact O-N 3.31Å; K986-V990 HydrophobicContact CD-CG2 4.48Å; K986-V990 HydrophobicContact CG-CG2 4.47Å; K986-V990 WeakPolarHBondContact O-CG2 3.48Å; K986-V990 PolarHBondContact O-N 3.47Å
987L92.9Very high85Confident0 Ų043.2 Ų43.20%023%0.228CC..Hα-helixtrans-61-48.4175.9177.563.9000111.3M958 L983 V984 H989 V990 L991 L1002 W1005 F1007M958-L987 HydrophobicContact CE-CD1 3.96Å; M958-L987 HydrophobicContact SD-CD1 3.9Å; L983-L987 VanDerWaalsContact O-CB 3.25Å; L983-L987 WeakPolarHBondContact O-CB 3.47Å; L983-L987 PolarHBondContact O-N 2.88Å; V984-L987 PolarHBondContact O-N 3.23Å; L987-H989 VanDerWaalsContact C-N 3.3Å; L987-H989 PolarHBondContact O-N 3.5Å; L987-V990 PolarHBondContact O-N 3.16Å; L987-V990 VanDerWaalsContact O-N 3.09Å; L987-L991 HydrophobicContact CD1-CD1 4.03Å; L987-L991 HydrophobicContact CD1-CD2 4.39Å; L987-L991 HydrophobicContact CD1-CG 3.99Å; L987-L991 HydrophobicContact CD2-CD1 4.47Å; L987-L991 HydrophobicContact CG-CD1 3.82Å; L987-L991 HydrophobicContact CG-CG 4.23Å; L987-L991 WeakPolarHBondContact O-CB 3.33Å; L987-L991 VanDerWaalsContact O-CG 3.26Å; L987-L991 WeakPolarHBondContact O-CG 3.42Å; L987-L991 PolarHBondContact O-N 3.47Å; L987-L1002 HydrophobicContact CD2-CD1 3.91Å; L987-W1005 HydrophobicContact CD2-CZ3 4.22Å; L987-F1007 HydrophobicContact CD2-CZ 4.39Å
988S85.3Confident84.4Confident28 Ų2845.9 Ų45.920%0.19624%0.241CC..Hα-helixtrans-53.1-48174.1169.80000111.5V984 V990 L991 S992 I1014V984-S988 WeakPolarHBondContact O-CB 3.39Å; V984-S988 PolarHBondContact O-N 3Å; S988-V990 PolarHBondContact O-N 3.5Å; S988-L991 PolarHBondContact O-N 3.38Å; S988-S992 PolarHBondContact O-N 3.2Å; S988-I1014 WeakPolarHBondContact CB-O 3.39Å; S988-I1014 PolarHBondContact OG-O 3.2Å
989H87.1Confident84.1Confident87 Ų8743.6 Ų43.640%0.40323%0.229SC..Hα-helixtrans-60.6-43.8175.8-179.574.3000112.5E962 R985 K986 L987 S992 K993E962-H989 IonicContact OE2-CD2 3.27Å; R985-H989 PolarHBondContact O-N 2.87Å; R985-H989 VanDerWaalsContact O-N 3.12Å; K986-H989 WeakPolarHBondContact O-CB 3.31Å; K986-H989 PolarHBondContact O-N 3.31Å; L987-H989 VanDerWaalsContact C-N 3.3Å; L987-H989 PolarHBondContact O-N 3.5Å; H989-S992 PolarHBondContact O-N 3.03Å; H989-S992 PolarHBondContact O-OG 3.34Å; H989-K993 WeakPolarHBondContact NE2-CE 3.43Å; H989-K993 PolarHBondContact NE2-NZ 3.3Å; H989-K993 PolarHBondContact O-N 3.45Å
990V90.7Very high83.9Confident0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-64.1-47.6177.2175.30000111.3M958 F961 E962 K986 L987 S988 S992 K993 L994M958-V990 HydrophobicContact CB-CG2 4.16Å; M958-V990 HydrophobicContact SD-CG2 4.34Å; F961-V990 HydrophobicContact CD1-CG1 3.53Å; F961-V990 HydrophobicContact CE1-CG1 4.06Å; F961-V990 HydrophobicContact CG-CG1 4.4Å; E962-V990 HydrophobicContact CB-CB 4.27Å; E962-V990 HydrophobicContact CB-CG1 3.89Å; E962-V990 HydrophobicContact CB-CG2 3.79Å; K986-V990 HydrophobicContact CD-CG2 4.48Å; K986-V990 HydrophobicContact CG-CG2 4.47Å; K986-V990 WeakPolarHBondContact O-CG2 3.48Å; K986-V990 PolarHBondContact O-N 3.47Å; L987-V990 PolarHBondContact O-N 3.16Å; L987-V990 VanDerWaalsContact O-N 3.09Å; S988-V990 PolarHBondContact O-N 3.5Å; V990-S992 PolarHBondContact O-N 2.77Å; V990-K993 WeakPolarHBondContact O-CA 3.42Å; V990-K993 WeakPolarHBondContact O-CB 3.43Å; V990-K993 PolarHBondContact O-N 2.91Å; V990-L994 HydrophobicContact CG1-CD1 4.23Å; V990-L994 HydrophobicContact CG1-CG 4.3Å; V990-L994 PolarHBondContact O-N 3.31Å
991L86.1Confident84.1Confident7 Ų743.1 Ų43.14%0.03722%0.222CC..Hα-helixtrans-58.4-36.9179.4-68.4171.6000111.8F970 L987 S988 K993 L994 L997 I1015 F1019F970-L991 HydrophobicContact CE1-CD2 3.69Å; F970-L991 HydrophobicContact CZ-CD2 3.83Å; L987-L991 HydrophobicContact CD1-CD1 4.03Å; L987-L991 HydrophobicContact CD1-CD2 4.39Å; L987-L991 HydrophobicContact CD1-CG 3.99Å; L987-L991 HydrophobicContact CD2-CD1 4.47Å; L987-L991 HydrophobicContact CG-CD1 3.82Å; L987-L991 HydrophobicContact CG-CG 4.23Å; L987-L991 WeakPolarHBondContact O-CB 3.33Å; L987-L991 VanDerWaalsContact O-CG 3.26Å; L987-L991 WeakPolarHBondContact O-CG 3.42Å; L987-L991 PolarHBondContact O-N 3.47Å; S988-L991 PolarHBondContact O-N 3.38Å; L991-K993 PolarHBondContact O-N 2.91Å; L991-L994 HydrophobicContact CD2-CD1 4.44Å; L991-L994 PolarHBondContact O-N 2.92Å; L991-L997 HydrophobicContact CD2-CD2 3.53Å; L991-I1015 HydrophobicContact CD1-CB 4.02Å; L991-I1015 HydrophobicContact CD1-CG2 4.47Å; L991-F1019 HydrophobicContact CB-CE1 4.25Å; L991-F1019 HydrophobicContact CB-CZ 4.04Å; L991-F1019 HydrophobicContact CD1-CZ 4.01Å; L991-F1019 HydrophobicContact CD2-CZ 4.08Å; L991-F1019 HydrophobicContact CG-CZ 4.26Å
992S80.3Confident84.7Confident88 Ų8842.4 Ų42.462%0.61522%0.216SC*.Hα-helixtrans-63-24.8174.580.40000113.9S988 H989 V990S988-S992 PolarHBondContact O-N 3.2Å; H989-S992 PolarHBondContact O-N 3.03Å; H989-S992 PolarHBondContact O-OG 3.34Å; V990-S992 PolarHBondContact O-N 2.77Å
993K84.1Confident84.9Confident75 Ų7542.4 Ų42.433%0.32621%0.211SC..Hα-helixtrans-87.7-18.2177.5-68.5177.4169.7179.90113.4E962 H989 V990 L991 T995E962-K993 HydrophobicContact CB-CD 4.08Å; E962-K993 IonicContact OE1-NZ 3.19Å; E962-K993 PolarHBondContact OE1-NZ 2.81Å; E962-K993 IonicContact OE2-NZ 3.7Å; E962-K993 PolarHBondContact OE2-NZ 2.91Å; H989-K993 WeakPolarHBondContact NE2-CE 3.43Å; H989-K993 PolarHBondContact NE2-NZ 3.3Å; H989-K993 PolarHBondContact O-N 3.45Å; V990-K993 WeakPolarHBondContact O-CA 3.42Å; V990-K993 WeakPolarHBondContact O-CB 3.43Å; V990-K993 PolarHBondContact O-N 2.91Å; L991-K993 PolarHBondContact O-N 2.91Å; K993-T995 PolarHBondContact O-N 3.03Å; K993-T995 VanDerWaalsContact O-N 3.15Å
994L81.5Confident84.6Confident6 Ų643.2 Ų43.23%0.03122%0.22CC..  trans-85.879.7-178.6-61.7-178.3000110.6F961 L964 L967 V990 L991 F996 L997F961-L994 HydrophobicContact CE1-CD1 3.91Å; F961-L994 HydrophobicContact CZ-CD1 4.12Å; L964-L994 VanDerWaalsContact O-CD2 3.29Å; L964-L994 WeakPolarHBondContact O-CD2 3.41Å; L967-L994 HydrophobicContact CB-CD2 4.5Å; L967-L994 HydrophobicContact CD2-CD1 4.13Å; V990-L994 HydrophobicContact CG1-CD1 4.23Å; V990-L994 HydrophobicContact CG1-CG 4.3Å; V990-L994 PolarHBondContact O-N 3.31Å; L991-L994 HydrophobicContact CD2-CD1 4.44Å; L991-L994 PolarHBondContact O-N 2.92Å; L994-F996 VanDerWaalsContact C-N 3.26Å; L994-F996 PolarHBondContact O-N 3.44Å; L994-L997 HydrophobicContact CB-CB 4.01Å; L994-L997 HydrophobicContact CB-CD2 4.44Å; L994-L997 HydrophobicContact CD1-CD2 4.38Å; L994-L997 WeakPolarHBondContact O-CB 3.47Å; L994-L997 PolarHBondContact O-N 3.3Å
995T78.3Confident84.7Confident111 Ų11143.6 Ų43.668%0.68122%0.221SC*.THydrogen-bonded Turntrans-69.2-19.3-172.155.80000114.9K993K993-T995 PolarHBondContact O-N 3.03Å; K993-T995 VanDerWaalsContact O-N 3.15Å
996F74.8Confident84.8Confident107 Ų10742.4 Ų42.447%0.46922%0.221SC..THydrogen-bonded Turntrans-99-0.2-179.6-67.1-85.5000113.5K965 L967 L994 Q998K965-F996 VanDerWaalsContact O-CD2 3.29Å; K965-F996 WeakPolarHBondContact O-CD2 3.26Å; L967-F996 CarbonylContact O-C 3.56Å; L994-F996 VanDerWaalsContact C-N 3.26Å; L994-F996 PolarHBondContact O-N 3.44Å; F996-Q998 PolarHBondContact O-N 2.85Å
997L76.2Confident84.3Confident10 Ų1040.8 Ų40.85%0.05221%0.214CC..  trans-62.9128.6-178.3-173.865.9000110L967 F970 L991 L994 A1000 F1019L967-L997 WeakPolarHBondContact O-CA 3.34Å; L967-L997 PolarHBondContact O-N 2.99Å; F970-L997 HydrophobicContact CD1-CD1 3.77Å; F970-L997 HydrophobicContact CE1-CD1 3.91Å; F970-L997 HydrophobicContact CE1-CD2 3.96Å; L991-L997 HydrophobicContact CD2-CD2 3.53Å; L994-L997 HydrophobicContact CB-CB 4.01Å; L994-L997 HydrophobicContact CB-CD2 4.44Å; L994-L997 HydrophobicContact CD1-CD2 4.38Å; L994-L997 WeakPolarHBondContact O-CB 3.47Å; L994-L997 PolarHBondContact O-N 3.3Å; L997-A1000 HydrophobicContact CD2-CB 4.34Å; L997-F1019 HydrophobicContact CB-CB 4.49Å; L997-F1019 HydrophobicContact CB-CD1 4.43Å; L997-F1019 HydrophobicContact CD2-CB 4.47Å; L997-F1019 HydrophobicContact CD2-CD1 3.77Å; L997-F1019 HydrophobicContact CD2-CD2 3.89Å; L997-F1019 HydrophobicContact CD2-CE1 3.89Å; L997-F1019 HydrophobicContact CD2-CE2 4.02Å; L997-F1019 HydrophobicContact CD2-CG 3.78Å; L997-F1019 HydrophobicContact CD2-CZ 4.03Å; L997-F1019 HydrophobicContact CG-CB 4.14Å; L997-F1019 HydrophobicContact CG-CD1 4.24Å; L997-F1019 HydrophobicContact CG-CD2 4.34Å; L997-F1019 HydrophobicContact CG-CG 3.99Å; L997-F1019 WeakPolarHBondContact O-CB 3.27Å
998Q73.8Confident83.3Confident80 Ų8041.1 Ų41.137%0.37422%0.216SC..  trans-110.7-36.6177.3-69.4178.313.500111.6V968 F996 F1019 K1020V968-Q998 HydrophobicContact CG1-CB 3.92Å; V968-Q998 HydrophobicContact CG1-CG 3.79Å; V968-Q998 PolarHBondContact O-N 2.85Å; F996-Q998 PolarHBondContact O-N 2.85Å; Q998-F1019 WeakPolarHBondContact O-CB 3.46Å; Q998-K1020 PolarHBondContact O-N 3.06Å
999E78.3Confident82.4Confident8 Ų843 Ų434%0.03722%0.223CC..EExtended strand (participates in β ladder)trans-144.1133.7179.5178.8177.4174.300111.7L528 W529 V968 F969 F970 R1001 K1020L528-E999 WeakPolarHBondContact CD1-OE2 3.39Å; W529-E999 PolarHBondContact NE1-OE2 2.95Å; V968-E999 PolarHBondContact O-N 3.19Å; F969-E999 WeakPolarHBondContact CA-O 3.38Å; F969-E999 HydrophobicContact CD2-CB 3.98Å; F969-E999 HydrophobicContact CD2-CG 4.06Å; F969-E999 HydrophobicContact CE2-CB 4.48Å; F969-E999 HydrophobicContact CE2-CG 4.05Å; F970-E999 PolarHBondContact N-O 3.41Å; E999-R1001 HydrophobicContact CG-CG 4.34Å; E999-R1001 IonicContact OE1-CZ 2.91Å; E999-R1001 VanDerWaalsContact OE1-CZ 3.27Å; E999-R1001 IonicContact OE1-NE 3.7Å; E999-R1001 PolarHBondContact OE1-NE 2.86Å; E999-R1001 IonicContact OE1-NH2 3.68Å; E999-R1001 PolarHBondContact OE1-NH2 3.05Å; E999-K1020 CarbonylContact C-O 3.51Å; E999-K1020 VanDerWaalsContact CA-O 3.27Å; E999-K1020 WeakPolarHBondContact CA-O 3.4Å; E999-K1020 HydrophobicContact CB-CB 4.37Å; E999-K1020 HydrophobicContact CG-CB 4.42Å
1000A82.8Confident81.3Confident0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-121123.4174.700000109.5F970 L997 F1019 K1020 L1021 V1022F970-A1000 HydrophobicContact CD1-CB 4.39Å; F970-A1000 HydrophobicContact CE1-CB 3.57Å; F970-A1000 HydrophobicContact CE2-CB 4.15Å; F970-A1000 HydrophobicContact CZ-CB 3.42Å; F970-A1000 VanDerWaalsContact CZ-CB 3.42Å; L997-A1000 HydrophobicContact CD2-CB 4.34Å; A1000-F1019 HydrophobicContact CB-CD2 4.02Å; A1000-F1019 HydrophobicContact CB-CE2 3.91Å; A1000-K1020 PolarHBondContact N-O 2.78Å; A1000-L1021 HydrophobicContact CB-CD1 4.01Å; A1000-V1022 PolarHBondContact O-N 2.95Å
1001R88.9Confident80.5Confident57 Ų5742 Ų4222%0.21522%0.221CC..EExtended strand (participates in β ladder)trans-109.6119175.5-60.8-170.8177.9177.61.4111.1F969 F970 D971 F972 E999 V1022F969-R1001 HydrophobicContact CE2-CG 4Å; F969-R1001 HydrophobicContact CZ-CG 4.22Å; F970-R1001 PolarHBondContact O-N 3.38Å; D971-R1001 HydrophobicContact CB-CB 4.01Å; D971-R1001 WeakPolarHBondContact OD2-CD 3.45Å; F972-R1001 PolarHBondContact N-O 3.08Å; E999-R1001 HydrophobicContact CG-CG 4.34Å; E999-R1001 IonicContact OE1-CZ 2.91Å; E999-R1001 VanDerWaalsContact OE1-CZ 3.27Å; E999-R1001 IonicContact OE1-NE 3.7Å; E999-R1001 PolarHBondContact OE1-NE 2.86Å; E999-R1001 IonicContact OE1-NH2 3.68Å; E999-R1001 PolarHBondContact OE1-NH2 3.05Å; R1001-V1022 HydrophobicContact CG-CB 4.2Å; R1001-V1022 HydrophobicContact CG-CG2 4.47Å
1002L92.9Very high80Confident0 Ų042.9 Ų42.90%023%0.226CC..  trans-130.543.4179.3-63.8170.5000108.3F970 F972 L987 G1004 W1005 F1007 L1021 V1022F970-L1002 HydrophobicContact CE2-CD2 3.85Å; F970-L1002 HydrophobicContact CE2-CG 4.21Å; F972-L1002 HydrophobicContact CB-CD2 4.09Å; F972-L1002 HydrophobicContact CD2-CD2 4.27Å; L987-L1002 HydrophobicContact CD2-CD1 3.91Å; L1002-G1004 PolarHBondContact O-N 3.17Å; L1002-W1005 HydrophobicContact CB-CB 4.13Å; L1002-W1005 HydrophobicContact CB-CD2 4.3Å; L1002-W1005 HydrophobicContact CB-CG 3.92Å; L1002-W1005 HydrophobicContact CD2-CD2 3.87Å; L1002-W1005 HydrophobicContact CD2-CE3 4.26Å; L1002-W1005 HydrophobicContact CD2-CG 4.32Å; L1002-W1005 HydrophobicContact CD2-CH2 4.32Å; L1002-W1005 HydrophobicContact CD2-CZ2 3.95Å; L1002-W1005 HydrophobicContact CD2-CZ3 4.45Å; L1002-W1005 VanDerWaalsContact O-CB 3.3Å; L1002-W1005 WeakPolarHBondContact O-CB 3.45Å; L1002-W1005 PolarHBondContact O-N 3.12Å; L1002-W1005 VanDerWaalsContact O-N 3.1Å; L1002-F1007 HydrophobicContact CB-CE2 3.84Å; L1002-F1007 HydrophobicContact CB-CZ 4.33Å; L1002-F1007 HydrophobicContact CD1-CE2 3.77Å; L1002-F1007 HydrophobicContact CD1-CZ 3.72Å; L1002-F1007 HydrophobicContact CG-CE2 4.42Å; L1002-L1021 HydrophobicContact CD1-CD1 4.05Å; L1002-V1022 PolarHBondContact N-O 3.25Å
1003V89.5Confident79.5Confident46 Ų4642.2 Ų42.228%0.27922%0.221SC..THydrogen-bonded Turntrans-65.6133.8-177.6-177.40000108.9S973 T974 W1005 V1022S973-V1003 CarbonylContact C-O 3.52Å; S973-V1003 WeakPolarHBondContact CA-O 3.3Å; S973-V1003 WeakPolarHBondContact CB-O 3.26Å; S973-V1003 WeakPolarHBondContact OG-CB 3.3Å; S973-V1003 PolarHBondContact OG-N 3.2Å; S973-V1003 VanDerWaalsContact OG-N 3.15Å; T974-V1003 PolarHBondContact N-O 3.03Å; T974-V1003 VanDerWaalsContact O-O 3.07Å; V1003-W1005 VanDerWaalsContact C-N 3.28Å; V1003-W1005 PolarHBondContact O-N 2.87Å; V1003-V1022 HydrophobicContact CG2-CG1 3.94Å
1004G86.4Confident79.1Confident19 Ų1942.1 Ų42.120%0.19622%0.224CC..THydrogen-bonded Turntrans81.9-2.3-175.100000114.9T974 F977 L1002T974-G1004 WeakPolarHBondContact O-CA 3.3Å; F977-G1004 PolarHBondContact N-O 3.43Å; L1002-G1004 PolarHBondContact O-N 3.17Å
1005W92.3Very high78.9Confident8 Ų842 Ų423%0.0322%0.223CC..BIsolated β-bridgetrans-80.1125.6167.3-67.648.6000109.6W954 F972 F977 P979 L983 L987 L1002 V1003 F1007W954-W1005 HydrophobicContact CB-CH2 4.46Å; W954-W1005 AromaticContact CD1-CH2 3.78Å; W954-W1005 AromaticContact CD1-CZ2 3.78Å; W954-W1005 HydrophobicContact CD2-CH2 4.32Å; W954-W1005 HydrophobicContact CD2-CZ2 4.25Å; W954-W1005 AromaticContact CE2-CZ2 3.9Å; W954-W1005 AromaticContact CG-CH2 3.94Å; W954-W1005 HydrophobicContact CG-CH2 3.94Å; W954-W1005 HydrophobicContact CG-CZ2 4.19Å; W954-W1005 AromaticContact NE1-CZ2 3.56Å; F972-W1005 HydrophobicContact CB-CZ2 4.05Å; F972-W1005 PolarHBondContact O-NE1 2.87Å; F977-W1005 HydrophobicContact CD1-CB 4.5Å; F977-W1005 AromaticContact CD1-CD2 3.48Å; F977-W1005 HydrophobicContact CD1-CD2 3.48Å; F977-W1005 VanDerWaalsContact CD1-CD2 3.48Å; F977-W1005 AromaticContact CD1-CE2 3.72Å; F977-W1005 AromaticContact CD1-CE3 3.73Å; F977-W1005 HydrophobicContact CD1-CE3 3.73Å; F977-W1005 AromaticContact CD1-CG 3.84Å; F977-W1005 HydrophobicContact CD1-CG 3.84Å; F977-W1005 HydrophobicContact CD1-CH2 4.41Å; F977-W1005 HydrophobicContact CD1-CZ2 4.18Å; F977-W1005 HydrophobicContact CD1-CZ3 4.2Å; F977-W1005 AromaticContact CE1-CD2 3.82Å; F977-W1005 HydrophobicContact CE1-CD2 3.82Å; F977-W1005 AromaticContact CE1-CE2 3.96Å; F977-W1005 AromaticContact CE1-CE3 3.62Å; F977-W1005 HydrophobicContact CE1-CE3 3.62Å; F977-W1005 AromaticContact CE1-CH2 3.81Å; F977-W1005 HydrophobicContact CE1-CH2 3.81Å; F977-W1005 AromaticContact CE1-CZ2 3.96Å; F977-W1005 HydrophobicContact CE1-CZ2 3.96Å; F977-W1005 AromaticContact CE1-CZ3 3.64Å; F977-W1005 HydrophobicContact CE1-CZ3 3.64Å; F977-W1005 CarbonylContact O-C 3.54Å; F977-W1005 WeakPolarHBondContact O-CA 3.25Å; P979-W1005 HydrophobicContact CB-CE3 4.01Å; P979-W1005 HydrophobicContact CB-CZ3 4.17Å; P979-W1005 HydrophobicContact CG-CE3 4.2Å; L983-W1005 HydrophobicContact CD2-CH2 3.98Å; L983-W1005 HydrophobicContact CD2-CZ3 3.78Å; L983-W1005 HydrophobicContact CG-CZ3 4.28Å; L987-W1005 HydrophobicContact CD2-CZ3 4.22Å; L1002-W1005 HydrophobicContact CB-CB 4.13Å; L1002-W1005 HydrophobicContact CB-CD2 4.3Å; L1002-W1005 HydrophobicContact CB-CG 3.92Å; L1002-W1005 HydrophobicContact CD2-CD2 3.87Å; L1002-W1005 HydrophobicContact CD2-CE3 4.26Å; L1002-W1005 HydrophobicContact CD2-CG 4.32Å; L1002-W1005 HydrophobicContact CD2-CH2 4.32Å; L1002-W1005 HydrophobicContact CD2-CZ2 3.95Å; L1002-W1005 HydrophobicContact CD2-CZ3 4.45Å; L1002-W1005 VanDerWaalsContact O-CB 3.3Å; L1002-W1005 WeakPolarHBondContact O-CB 3.45Å; L1002-W1005 PolarHBondContact O-N 3.12Å; L1002-W1005 VanDerWaalsContact O-N 3.1Å; V1003-W1005 VanDerWaalsContact C-N 3.28Å; V1003-W1005 PolarHBondContact O-N 2.87Å; W1005-F1007 HydrophobicContact CB-CD2 4.18Å; W1005-F1007 HydrophobicContact CB-CE1 4.48Å; W1005-F1007 HydrophobicContact CB-CE2 3.54Å; W1005-F1007 HydrophobicContact CB-CZ 3.71Å; W1005-F1007 HydrophobicContact CD2-CZ 4.09Å; W1005-F1007 AromaticContact CE3-CE1 3.98Å; W1005-F1007 HydrophobicContact CE3-CE1 3.98Å; W1005-F1007 HydrophobicContact CE3-CE2 4.44Å; W1005-F1007 AromaticContact CE3-CZ 3.5Å; W1005-F1007 HydrophobicContact CE3-CZ 3.5Å; W1005-F1007 VanDerWaalsContact CE3-CZ 3.5Å; W1005-F1007 HydrophobicContact CG-CE2 4.36Å; W1005-F1007 HydrophobicContact CG-CZ 4.23Å; W1005-F1007 HydrophobicContact CZ3-CZ 4.4Å; W1005-F1007 PolarHBondContact O-N 3.01Å
1006Q85.8Confident78.5Confident94 Ų9441.5 Ų41.544%0.43921%0.211SC..  trans-90.295.1-176.7-62.9-178-0.200110.4F977 L978 P979F977-Q1006 PolarHBondContact O-N 3.22Å; L978-Q1006 HydrophobicContact CD1-CB 3.91Å; P979-Q1006 WeakPolarHBondContact CD-O 3.11Å
1007F81.9Confident78.1Confident25 Ų2538.7 Ų38.711%0.1121%0.212CC..  trans-99.7143.1175.6-60.9-62.6000112.2P979 V984 L987 L1002 W1005 D1011 L1012 I1015 T1023P979-F1007 HydrophobicContact CG-CD1 3.94Å; P979-F1007 HydrophobicContact CG-CE1 3.68Å; V984-F1007 HydrophobicContact CG2-CD1 4.47Å; V984-F1007 HydrophobicContact CG2-CE1 4.28Å; L987-F1007 HydrophobicContact CD2-CZ 4.39Å; L1002-F1007 HydrophobicContact CB-CE2 3.84Å; L1002-F1007 HydrophobicContact CB-CZ 4.33Å; L1002-F1007 HydrophobicContact CD1-CE2 3.77Å; L1002-F1007 HydrophobicContact CD1-CZ 3.72Å; L1002-F1007 HydrophobicContact CG-CE2 4.42Å; W1005-F1007 HydrophobicContact CB-CD2 4.18Å; W1005-F1007 HydrophobicContact CB-CE1 4.48Å; W1005-F1007 HydrophobicContact CB-CE2 3.54Å; W1005-F1007 HydrophobicContact CB-CZ 3.71Å; W1005-F1007 HydrophobicContact CD2-CZ 4.09Å; W1005-F1007 AromaticContact CE3-CE1 3.98Å; W1005-F1007 HydrophobicContact CE3-CE1 3.98Å; W1005-F1007 HydrophobicContact CE3-CE2 4.44Å; W1005-F1007 AromaticContact CE3-CZ 3.5Å; W1005-F1007 HydrophobicContact CE3-CZ 3.5Å; W1005-F1007 VanDerWaalsContact CE3-CZ 3.5Å; W1005-F1007 HydrophobicContact CG-CE2 4.36Å; W1005-F1007 HydrophobicContact CG-CZ 4.23Å; W1005-F1007 HydrophobicContact CZ3-CZ 4.4Å; W1005-F1007 PolarHBondContact O-N 3.01Å; F1007-D1011 HydrophobicContact CB-CB 3.95Å; F1007-D1011 HydrophobicContact CD1-CB 3.93Å; F1007-D1011 HydrophobicContact CG-CB 4.35Å; F1007-L1012 HydrophobicContact CB-CD2 4.09Å; F1007-L1012 HydrophobicContact CB-CG 3.98Å; F1007-L1012 HydrophobicContact CD2-CD2 4.39Å; F1007-I1015 HydrophobicContact CD1-CD1 3.92Å; F1007-I1015 HydrophobicContact CD2-CD1 3.8Å; F1007-I1015 HydrophobicContact CE1-CD1 3.89Å; F1007-I1015 HydrophobicContact CE2-CD1 3.77Å; F1007-I1015 HydrophobicContact CG-CD1 3.87Å; F1007-I1015 HydrophobicContact CZ-CD1 3.82Å; F1007-T1023 HydrophobicContact CD2-CG2 3.74Å; F1007-T1023 HydrophobicContact CE2-CG2 3.98Å
1008D72.6Confident77.6Confident7 Ų743.6 Ų43.64%0.03725%0.254CS..  trans-87.7179166.261.944.8000112.6R9 I12 R52 D1010 D1011 L1012R9-D1008 HydrophobicContact CG-CB 3.97Å; I12-D1008 WeakPolarHBondContact CG2-OD2 3.35Å; R52-D1008 IonicContact CZ-OD2 3.85Å; R52-D1008 IonicContact NE-OD2 2.89Å; R52-D1008 IonicContact NH2-OD1 2.72Å; R52-D1008 IonicContact NH2-OD2 3.29Å; R52-D1008 PolarHBondContact NH2-OD2 3.28Å; D1008-D1010 VanDerWaalsContact C-N 3.28Å; D1008-D1010 PolarHBondContact O-N 3.48Å; D1008-D1010 PolarHBondContact OD1-N 3.4Å; D1008-D1011 PolarHBondContact N-OD2 2.64Å; D1008-D1011 VanDerWaalsContact OD1-CG 3.24Å; D1008-D1011 PolarHBondContact OD1-N 3.48Å; D1008-L1012 WeakPolarHBondContact O-CB 3.34Å; D1008-L1012 VanDerWaalsContact O-CG 3.29Å; D1008-L1012 WeakPolarHBondContact O-CG 3.47Å; D1008-L1012 PolarHBondContact O-N 3.31Å
1009D65.9Low77.3Confident67 Ų6741.2 Ų41.236%0.35824%0.243SC..Hα-helixtrans-65.4-29.6-179.9-64.3-69.8000113.5R9 Q13 S1013R9-D1009 IonicContact CZ-OD1 3.13Å; R9-D1009 IonicContact CZ-OD2 3.03Å; R9-D1009 VanDerWaalsContact CZ-OD2 3.23Å; R9-D1009 IonicContact NE-OD1 3.83Å; R9-D1009 IonicContact NE-OD2 2.69Å; R9-D1009 PolarHBondContact NE-OD2 3.3Å; R9-D1009 IonicContact NH2-OD1 2.9Å; R9-D1009 PolarHBondContact NH2-OD1 3.13Å; R9-D1009 IonicContact NH2-OD2 3.82Å; R9-D1009 PolarHBondContact NH2-OD2 3.17Å; Q13-D1009 VanDerWaalsContact NE2-CG 3.34Å; Q13-D1009 PolarHBondContact NE2-OD2 3.45Å; D1009-S1013 WeakPolarHBondContact O-CB 3.43Å; D1009-S1013 PolarHBondContact O-N 2.95Å
1010D64.2Low76.9Confident57 Ų5745.4 Ų45.431%0.30526%0.261SS..Hα-helixtrans-74.2-43.9-179.2-73.3-21.2000109.3Q48 D1008 L1012 S1013 I1014Q48-D1010 VanDerWaalsContact CG-OD2 3.23Å; Q48-D1010 WeakPolarHBondContact CG-OD2 3.32Å; Q48-D1010 PolarHBondContact NE2-OD2 3.15Å; D1008-D1010 VanDerWaalsContact C-N 3.28Å; D1008-D1010 PolarHBondContact O-N 3.48Å; D1008-D1010 PolarHBondContact OD1-N 3.4Å; D1010-L1012 VanDerWaalsContact C-N 3.34Å; D1010-L1012 PolarHBondContact O-N 3.21Å; D1010-S1013 WeakPolarHBondContact O-CB 3.31Å; D1010-S1013 PolarHBondContact O-N 3.11Å; D1010-S1013 VanDerWaalsContact O-N 3.11Å; D1010-S1013 PolarHBondContact O-OG 3.33Å; D1010-I1014 WeakPolarHBondContact O-CG1 3.45Å; D1010-I1014 PolarHBondContact O-N 3.27Å; D1010-I1014 VanDerWaalsContact O-N 3.15Å
1011D74.2Confident76.6Confident10 Ų1047.2 Ų47.25%0.05327%0.271CS..Hα-helixtrans-55.4-49.1170.5-63.8-27.5000110.9R52 V984 F1007 D1008 S1013 I1014 I1015R52-D1011 IonicContact CZ-OD1 2.9Å; R52-D1011 IonicContact CZ-OD2 3.64Å; R52-D1011 IonicContact NH1-OD1 2.96Å; R52-D1011 IonicContact NH2-OD1 3.67Å; R52-D1011 PolarHBondContact NH2-OD1 2.93Å; R52-D1011 IonicContact NH2-OD2 3.71Å; R52-D1011 PolarHBondContact NH2-OD2 3.21Å; R52-D1011 VanDerWaalsContact NH2-OD2 3.1Å; V984-D1011 HydrophobicContact CG1-CB 3.86Å; F1007-D1011 HydrophobicContact CB-CB 3.95Å; F1007-D1011 HydrophobicContact CD1-CB 3.93Å; F1007-D1011 HydrophobicContact CG-CB 4.35Å; D1008-D1011 PolarHBondContact N-OD2 2.64Å; D1008-D1011 VanDerWaalsContact OD1-CG 3.24Å; D1008-D1011 PolarHBondContact OD1-N 3.48Å; D1011-S1013 VanDerWaalsContact C-N 3.29Å; D1011-S1013 PolarHBondContact O-N 3.16Å; D1011-I1014 WeakPolarHBondContact O-CG1 3.32Å; D1011-I1014 PolarHBondContact O-N 3.03Å; D1011-I1015 VanDerWaalsContact O-CG1 3.27Å; D1011-I1015 WeakPolarHBondContact O-CG1 3.39Å; D1011-I1015 WeakPolarHBondContact O-CG2 3.41Å; D1011-I1015 PolarHBondContact O-N 3.15Å
1012L75.4Confident76.2Confident25 Ų2546 Ų4613%0.13127%0.269CS..Hα-helixtrans-61.6-36.2176.9-73.4174.9000112.4F1007 D1008 D1010 I1014 I1015 K1016 L1021 T1023F1007-L1012 HydrophobicContact CB-CD2 4.09Å; F1007-L1012 HydrophobicContact CB-CG 3.98Å; F1007-L1012 HydrophobicContact CD2-CD2 4.39Å; D1008-L1012 WeakPolarHBondContact O-CB 3.34Å; D1008-L1012 VanDerWaalsContact O-CG 3.29Å; D1008-L1012 WeakPolarHBondContact O-CG 3.47Å; D1008-L1012 PolarHBondContact O-N 3.31Å; D1010-L1012 VanDerWaalsContact C-N 3.34Å; D1010-L1012 PolarHBondContact O-N 3.21Å; L1012-I1014 VanDerWaalsContact C-N 3.27Å; L1012-I1014 PolarHBondContact O-N 3.12Å; L1012-I1015 HydrophobicContact CD2-CD1 4.2Å; L1012-K1016 VanDerWaalsContact O-CB 3.31Å; L1012-K1016 WeakPolarHBondContact O-CB 3.48Å; L1012-K1016 WeakPolarHBondContact O-CD 3.32Å; L1012-K1016 WeakPolarHBondContact O-CG 3.45Å; L1012-K1016 PolarHBondContact O-N 2.89Å; L1012-K1016 VanDerWaalsContact O-N 3.11Å; L1012-L1021 HydrophobicContact CD2-CD2 4.03Å; L1012-T1023 HydrophobicContact CD2-CG2 4.12Å
1013S69.3Low75.5Confident75 Ų7548 Ų4852%0.52428%0.282SS..Hα-helixtrans-64.8-33.4178.3810000112.2D1009 D1010 D1011D1009-S1013 WeakPolarHBondContact O-CB 3.43Å; D1009-S1013 PolarHBondContact O-N 2.95Å; D1010-S1013 WeakPolarHBondContact O-CB 3.31Å; D1010-S1013 PolarHBondContact O-N 3.11Å; D1010-S1013 VanDerWaalsContact O-N 3.11Å; D1010-S1013 PolarHBondContact O-OG 3.33Å; D1011-S1013 VanDerWaalsContact C-N 3.29Å; D1011-S1013 PolarHBondContact O-N 3.16Å
1014I75.1Confident74.7Confident73 Ų7352.2 Ų52.237%0.37432%0.321SS..Hα-helixtrans-91.6-23.2-178.463.7170.5000113.8V984 S988 D1010 D1011 L1012V984-I1014 HydrophobicContact CG1-CD1 3.91Å; V984-I1014 HydrophobicContact CG1-CG1 4.38Å; S988-I1014 WeakPolarHBondContact CB-O 3.39Å; S988-I1014 PolarHBondContact OG-O 3.2Å; D1010-I1014 WeakPolarHBondContact O-CG1 3.45Å; D1010-I1014 PolarHBondContact O-N 3.27Å; D1010-I1014 VanDerWaalsContact O-N 3.15Å; D1011-I1014 WeakPolarHBondContact O-CG1 3.32Å; D1011-I1014 PolarHBondContact O-N 3.03Å; L1012-I1014 VanDerWaalsContact C-N 3.27Å; L1012-I1014 PolarHBondContact O-N 3.12Å
1015I79.3Confident74.1Confident2 Ų253.9 Ų53.91%0.0133%0.327CS..Hα-helixtrans-96-11.4178.171.1-173.8000113.8V984 L991 F1007 D1011 L1012 F1019 L1021V984-I1015 HydrophobicContact CG1-CG2 4Å; L991-I1015 HydrophobicContact CD1-CB 4.02Å; L991-I1015 HydrophobicContact CD1-CG2 4.47Å; F1007-I1015 HydrophobicContact CD1-CD1 3.92Å; F1007-I1015 HydrophobicContact CD2-CD1 3.8Å; F1007-I1015 HydrophobicContact CE1-CD1 3.89Å; F1007-I1015 HydrophobicContact CE2-CD1 3.77Å; F1007-I1015 HydrophobicContact CG-CD1 3.87Å; F1007-I1015 HydrophobicContact CZ-CD1 3.82Å; D1011-I1015 VanDerWaalsContact O-CG1 3.27Å; D1011-I1015 WeakPolarHBondContact O-CG1 3.39Å; D1011-I1015 WeakPolarHBondContact O-CG2 3.41Å; D1011-I1015 PolarHBondContact O-N 3.15Å; L1012-I1015 HydrophobicContact CD2-CD1 4.2Å; I1015-F1019 WeakPolarHBondContact O-CZ 3.4Å; I1015-L1021 HydrophobicContact CD1-CD2 4Å; I1015-L1021 HydrophobicContact CG1-CD2 3.79Å
1016K69.6Low73.1Confident101 Ų10156.3 Ų56.344%0.43934%0.343SS..  trans-67.4139.8172.8-84170.1-176.6176.80110.7L1012 L1021L1012-K1016 VanDerWaalsContact O-CB 3.31Å; L1012-K1016 WeakPolarHBondContact O-CB 3.48Å; L1012-K1016 WeakPolarHBondContact O-CD 3.32Å; L1012-K1016 WeakPolarHBondContact O-CG 3.45Å; L1012-K1016 PolarHBondContact O-N 2.89Å; L1012-K1016 VanDerWaalsContact O-N 3.11Å; K1016-L1021 HydrophobicContact CG-CD2 4.39Å
1017G66.8Low72.4Confident48 Ų4854.2 Ų54.250%0.49534%0.337SS..  trans-151.4-164.5179.100000112.7F1019G1017-F1019 PolarHBondContact O-N 2.89Å
1018A64.4Low71.9Confident113 Ų11355.9 Ų55.993%0.93435%0.351SS*.SBendtrans-75.230.9178.900000113.7
1019F67.9Low71.8Confident31 Ų3158.9 Ų58.914%0.13637%0.37CS..SBendtrans-138.4160-176.855.8-95.1000110.2L991 L997 Q998 A1000 I1015 G1017 L1021L991-F1019 HydrophobicContact CB-CE1 4.25Å; L991-F1019 HydrophobicContact CB-CZ 4.04Å; L991-F1019 HydrophobicContact CD1-CZ 4.01Å; L991-F1019 HydrophobicContact CD2-CZ 4.08Å; L991-F1019 HydrophobicContact CG-CZ 4.26Å; L997-F1019 HydrophobicContact CB-CB 4.49Å; L997-F1019 HydrophobicContact CB-CD1 4.43Å; L997-F1019 HydrophobicContact CD2-CB 4.47Å; L997-F1019 HydrophobicContact CD2-CD1 3.77Å; L997-F1019 HydrophobicContact CD2-CD2 3.89Å; L997-F1019 HydrophobicContact CD2-CE1 3.89Å; L997-F1019 HydrophobicContact CD2-CE2 4.02Å; L997-F1019 HydrophobicContact CD2-CG 3.78Å; L997-F1019 HydrophobicContact CD2-CZ 4.03Å; L997-F1019 HydrophobicContact CG-CB 4.14Å; L997-F1019 HydrophobicContact CG-CD1 4.24Å; L997-F1019 HydrophobicContact CG-CD2 4.34Å; L997-F1019 HydrophobicContact CG-CG 3.99Å; L997-F1019 WeakPolarHBondContact O-CB 3.27Å; Q998-F1019 WeakPolarHBondContact O-CB 3.46Å; A1000-F1019 HydrophobicContact CB-CD2 4.02Å; A1000-F1019 HydrophobicContact CB-CE2 3.91Å; I1015-F1019 WeakPolarHBondContact O-CZ 3.4Å; G1017-F1019 PolarHBondContact O-N 2.89Å; F1019-L1021 HydrophobicContact CE2-CB 4.36Å; F1019-L1021 HydrophobicContact CE2-CD1 4.49Å; F1019-L1021 PolarHBondContact O-N 2.49Å
1020K70.6Confident72.2Confident96 Ų9658.4 Ų58.442%0.41737%0.371SS..EExtended strand (participates in β ladder)trans-75.2119.5174.9-177.4179.2175.9179.60109.9L528 Q998 E999 A1000 V1022L528-K1020 HydrophobicContact CD1-CD 3.32Å; Q998-K1020 PolarHBondContact O-N 3.06Å; E999-K1020 CarbonylContact C-O 3.51Å; E999-K1020 VanDerWaalsContact CA-O 3.27Å; E999-K1020 WeakPolarHBondContact CA-O 3.4Å; E999-K1020 HydrophobicContact CB-CB 4.37Å; E999-K1020 HydrophobicContact CG-CB 4.42Å; A1000-K1020 PolarHBondContact N-O 2.78Å; K1020-V1022 HydrophobicContact CD-CG2 4.34Å; K1020-V1022 HydrophobicContact CG-CG2 4.19Å
1021L76.7Confident72.8Confident38 Ų3858.5 Ų58.520%0.19938%0.376CS..EExtended strand (participates in β ladder)trans-101.5126.5173.2-179.565000109.9A1000 L1002 L1012 I1015 K1016 F1019 T1023A1000-L1021 HydrophobicContact CB-CD1 4.01Å; L1002-L1021 HydrophobicContact CD1-CD1 4.05Å; L1012-L1021 HydrophobicContact CD2-CD2 4.03Å; I1015-L1021 HydrophobicContact CD1-CD2 4Å; I1015-L1021 HydrophobicContact CG1-CD2 3.79Å; K1016-L1021 HydrophobicContact CG-CD2 4.39Å; F1019-L1021 HydrophobicContact CE2-CB 4.36Å; F1019-L1021 HydrophobicContact CE2-CD1 4.49Å; F1019-L1021 PolarHBondContact O-N 2.49Å; L1021-T1023 HydrophobicContact CD1-CG2 4.22Å; L1021-T1023 HydrophobicContact CD2-CG2 4.11Å; L1021-T1023 HydrophobicContact CG-CG2 3.91Å
1022V78.7Confident72.7Confident30 Ų3062.2 Ų62.218%0.18240%0.401CS..EExtended strand (participates in β ladder)trans-117.7112.5176.6-173.10000108.9A1000 R1001 L1002 V1003 K1020A1000-V1022 PolarHBondContact O-N 2.95Å; R1001-V1022 HydrophobicContact CG-CB 4.2Å; R1001-V1022 HydrophobicContact CG-CG2 4.47Å; L1002-V1022 PolarHBondContact N-O 3.25Å; V1003-V1022 HydrophobicContact CG2-CG1 3.94Å; K1020-V1022 HydrophobicContact CD-CG2 4.34Å; K1020-V1022 HydrophobicContact CG-CG2 4.19Å
1023T78.1Confident72.5Confident44 Ų4465.3 Ų65.327%0.2742%0.423SS..  trans-114.9-14.5-179.3570000113.2F1007 L1012 L1021F1007-T1023 HydrophobicContact CD2-CG2 3.74Å; F1007-T1023 HydrophobicContact CE2-CG2 3.98Å; L1012-T1023 HydrophobicContact CD2-CG2 4.12Å; L1021-T1023 HydrophobicContact CD1-CG2 4.22Å; L1021-T1023 HydrophobicContact CD2-CG2 4.11Å; L1021-T1023 HydrophobicContact CG-CG2 3.91Å
1024A73.3Confident72.8Confident133 Ų13364.5 Ų64.5100%1.09941%0.414SS*.  trans-144.80-179.800000110.5

Retrieved 1,024 of 1,024 residues in 1106 ms (Link to these results)

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