A0A3Q0KKT0_SCHMA Loading...

guanylate cyclase

AlphaFold DB , UniProt , Accession A0A3Q0KKT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 801 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
1M84Confident88.2Confident7 Ų721.7 Ų21.73%0.03410%0.104CC..  0138.10-162.6171.271.300108.7L5 L6 I41 Y42 D44 M47 R137 Y140M1-L5 HydrophobicContact CE-CB 3.89Å; M1-L5 HydrophobicContact CG-CB 4.38Å; M1-L5 HydrophobicContact CG-CD1 3.78Å; M1-L5 HydrophobicContact SD-CB 3.99Å; M1-L5 HydrophobicContact SD-CD1 3.73Å; M1-L5 HydrophobicContact SD-CG 4.48Å; M1-L6 HydrophobicContact CE-CD1 4.26Å; M1-L6 HydrophobicContact CE-CD2 3.4Å; M1-L6 VanDerWaalsContact CE-CD2 3.4Å; M1-L6 HydrophobicContact CE-CG 3.44Å; M1-L6 VanDerWaalsContact CE-CG 3.44Å; M1-I41 CarbonylContact O-C 3.59Å; M1-I41 WeakPolarHBondContact O-CA 3.4Å; M1-Y42 PolarHBondContact N-O 3.15Å; M1-Y42 PolarHBondContact O-N 3.31Å; M1-D44 PolarHBondContact N-OD1 3.32Å; M1-M47 HydrophobicContact CE-CB 3.94Å; M1-M47 HydrophobicContact CE-CG 4.47Å; M1-M47 HydrophobicContact SD-CB 4.47Å; M1-R137 VanDerWaalsContact CB-NH1 3.27Å; M1-Y140 HydrophobicContact SD-CE1 3.79Å; M1-Y140 PolarHBondContact SD-OH 3.16Å
2Y86.3Confident88.7Confident19 Ų1920.9 Ų20.98%0.07510%0.1CC..BIsolated β-bridgetrans-71.9147.1174.2-80.2-78000111.5I4 L5 R39 K40 I41 Y111 H112 R113 I114Y2-I4 PolarHBondContact O-N 2.89Å; Y2-I4 VanDerWaalsContact O-N 3.17Å; Y2-L5 PolarHBondContact O-N 3.43Å; Y2-R39 WeakPolarHBondContact CD1-O 3.35Å; Y2-R39 VanDerWaalsContact CE1-O 3.26Å; Y2-R39 WeakPolarHBondContact CE1-O 3.39Å; Y2-K40 CarbonylContact C-O 3.48Å; Y2-K40 WeakPolarHBondContact CA-O 3.26Å; Y2-I41 HydrophobicContact CD1-CG1 4.03Å; Y2-I41 HydrophobicContact CE1-CD1 4.23Å; Y2-I41 HydrophobicContact CE1-CG1 3.69Å; Y2-Y111 AromaticContact CD1-CD1 3.54Å; Y2-Y111 HydrophobicContact CD1-CD1 3.54Å; Y2-Y111 HydrophobicContact CD1-CE1 4.13Å; Y2-Y111 AromaticContact CD2-CD1 3.9Å; Y2-Y111 HydrophobicContact CD2-CD1 3.9Å; Y2-Y111 HydrophobicContact CD2-CG 4.14Å; Y2-Y111 AromaticContact CE1-CD1 3.77Å; Y2-Y111 HydrophobicContact CE1-CD1 3.77Å; Y2-Y111 HydrophobicContact CE2-CD1 4.13Å; Y2-Y111 HydrophobicContact CE2-CG 4.24Å; Y2-Y111 AromaticContact CG-CD1 3.58Å; Y2-Y111 HydrophobicContact CG-CD1 3.58Å; Y2-Y111 HydrophobicContact CG-CE1 4.2Å; Y2-Y111 HydrophobicContact CG-CG 4.27Å; Y2-H112 PolarHBondContact OH-N 3.47Å; Y2-R113 PolarHBondContact OH-N 3.28Å; Y2-I114 HydrophobicContact CD2-CB 4.29Å; Y2-I114 HydrophobicContact CD2-CG1 4.49Å; Y2-I114 HydrophobicContact CE2-CB 3.99Å
3G86.3Confident89Confident0 Ų019.3 Ų19.30%09%0.092CC..Hα-helixtrans-59-24.2-177.600000114.7L5 L6 E7 I36 E37 T38 K40G3-L5 PolarHBondContact O-N 3.33Å; G3-L5 VanDerWaalsContact O-N 3.13Å; G3-L6 CarbonylContact O-C 3.55Å; G3-L6 WeakPolarHBondContact O-CA 3.16Å; G3-L6 WeakPolarHBondContact O-CB 3.45Å; G3-L6 PolarHBondContact O-N 3.26Å; G3-E7 PolarHBondContact O-N 3.44Å; G3-I36 VanDerWaalsContact O-CG2 3.28Å; G3-I36 WeakPolarHBondContact O-CG2 3.49Å; G3-E37 WeakPolarHBondContact CA-O 3.47Å; G3-T38 PolarHBondContact N-O 2.94Å; G3-T38 VanDerWaalsContact N-O 3.16Å; G3-K40 PolarHBondContact N-O 2.8Å
4I84.7Confident89.2Confident39 Ų3921.1 Ų21.120%0.210%0.102CC..Hα-helixtrans-54.8-34.6178.8-169.1163.7000114Y2 E7 A8 T38 Y111Y2-I4 PolarHBondContact O-N 2.89Å; Y2-I4 VanDerWaalsContact O-N 3.17Å; I4-E7 PolarHBondContact O-N 2.8Å; I4-A8 PolarHBondContact O-N 3.25Å; I4-T38 PolarHBondContact N-O 3.42Å; I4-Y111 VanDerWaalsContact CD1-OH 3.28Å; I4-Y111 WeakPolarHBondContact CD1-OH 3.33Å
5L85.8Confident89.3Confident55 Ų5526 Ų2629%0.28813%0.129SC..Hα-helixtrans-75-33.2176.8-59.8-179.2000111.7M1 Y2 G3 A9M1-L5 HydrophobicContact CE-CB 3.89Å; M1-L5 HydrophobicContact CG-CB 4.38Å; M1-L5 HydrophobicContact CG-CD1 3.78Å; M1-L5 HydrophobicContact SD-CB 3.99Å; M1-L5 HydrophobicContact SD-CD1 3.73Å; M1-L5 HydrophobicContact SD-CG 4.48Å; Y2-L5 PolarHBondContact O-N 3.43Å; G3-L5 PolarHBondContact O-N 3.33Å; G3-L5 VanDerWaalsContact O-N 3.13Å; L5-A9 PolarHBondContact O-N 3.46Å
6L89.4Confident89.5Confident2 Ų230 Ų301%0.0115%0.151CC..Hα-helixtrans-71.7-33.4173.5-64.4171.2000111.2M1 G3 A9 K10 I36 Y42 L46 M47 I50M1-L6 HydrophobicContact CE-CD1 4.26Å; M1-L6 HydrophobicContact CE-CD2 3.4Å; M1-L6 VanDerWaalsContact CE-CD2 3.4Å; M1-L6 HydrophobicContact CE-CG 3.44Å; M1-L6 VanDerWaalsContact CE-CG 3.44Å; G3-L6 CarbonylContact O-C 3.55Å; G3-L6 WeakPolarHBondContact O-CA 3.16Å; G3-L6 WeakPolarHBondContact O-CB 3.45Å; G3-L6 PolarHBondContact O-N 3.26Å; L6-A9 CarbonylContact O-C 3.5Å; L6-A9 WeakPolarHBondContact O-CB 3.47Å; L6-A9 PolarHBondContact O-N 2.66Å; L6-A9 VanDerWaalsContact O-N 3.16Å; L6-K10 PolarHBondContact O-N 2.98Å; L6-I36 HydrophobicContact CB-CD1 3.64Å; L6-I36 HydrophobicContact CB-CG1 4.15Å; L6-I36 HydrophobicContact CB-CG2 4.01Å; L6-I36 WeakPolarHBondContact O-CD1 3.32Å; L6-Y42 HydrophobicContact CD1-CD1 3.93Å; L6-Y42 HydrophobicContact CD1-CD2 3.56Å; L6-Y42 HydrophobicContact CD1-CE1 4.46Å; L6-Y42 HydrophobicContact CD1-CE2 4.14Å; L6-Y42 HydrophobicContact CD1-CG 3.45Å; L6-Y42 VanDerWaalsContact CD1-CG 3.45Å; L6-L46 HydrophobicContact CD1-CD2 3.7Å; L6-L46 HydrophobicContact CD2-CD2 4.35Å; L6-L46 HydrophobicContact CD2-CG 4.32Å; L6-M47 HydrophobicContact CD2-CB 4.27Å; L6-M47 HydrophobicContact CD2-SD 3.95Å; L6-I50 HydrophobicContact CD2-CD1 4.34Å
7E89.9Confident89.6Confident28 Ų2832.7 Ų32.713%0.13116%0.16CC..Hα-helixtrans-63.5-45.8179.2-168.364.2-166.900110.6G3 I4 A9 K10 H11 I36 T38 Y76G3-E7 PolarHBondContact O-N 3.44Å; I4-E7 PolarHBondContact O-N 2.8Å; E7-A9 VanDerWaalsContact C-N 3.26Å; E7-A9 PolarHBondContact O-N 3.37Å; E7-K10 WeakPolarHBondContact O-CB 3.5Å; E7-K10 PolarHBondContact O-N 2.87Å; E7-H11 PolarHBondContact O-CD2 3.45Å; E7-H11 VanDerWaalsContact O-CD2 3.3Å; E7-H11 PolarHBondContact O-N 3.28Å; E7-H11 IonicContact OE1-CD2 3.8Å; E7-H11 IonicContact OE1-NE2 3.42Å; E7-I36 HydrophobicContact CB-CG2 4.28Å; E7-I36 VanDerWaalsContact OE2-CB 3.26Å; E7-I36 WeakPolarHBondContact OE2-CB 3.24Å; E7-I36 WeakPolarHBondContact OE2-CG2 3.36Å; E7-T38 HydrophobicContact CB-CG2 4.48Å; E7-T38 HydrophobicContact CG-CG2 4.45Å; E7-Y76 WeakPolarHBondContact CG-OH 3.47Å
8A89.4Confident89.6Confident1 Ų132.5 Ų32.51%0.00817%0.167CC..Hα-helixtrans-59.3-39.1172.900000112.1I4 Y12 T73 Y76I4-A8 PolarHBondContact O-N 3.25Å; A8-Y12 PolarHBondContact O-N 3.21Å; A8-T73 HydrophobicContact CB-CG2 3.92Å; A8-Y76 HydrophobicContact CB-CD1 3.86Å; A8-Y76 HydrophobicContact CB-CE1 4.38Å; A8-Y76 HydrophobicContact CB-CG 4.2Å
9A91.6Very high89.6Confident1 Ų137.9 Ų37.91%0.00819%0.192CC..Hα-helixtrans-68.4-39.3175.300000113L5 L6 E7 Y12 I13 M47 I69L5-A9 PolarHBondContact O-N 3.46Å; L6-A9 CarbonylContact O-C 3.5Å; L6-A9 WeakPolarHBondContact O-CB 3.47Å; L6-A9 PolarHBondContact O-N 2.66Å; L6-A9 VanDerWaalsContact O-N 3.16Å; E7-A9 VanDerWaalsContact C-N 3.26Å; E7-A9 PolarHBondContact O-N 3.37Å; A9-Y12 WeakPolarHBondContact O-CB 3.4Å; A9-Y12 PolarHBondContact O-N 3.46Å; A9-I13 WeakPolarHBondContact O-CD1 3.5Å; A9-I13 VanDerWaalsContact O-CG1 3.25Å; A9-I13 WeakPolarHBondContact O-CG1 3.42Å; A9-I13 PolarHBondContact O-N 3.22Å; A9-M47 HydrophobicContact CB-CE 3.53Å; A9-M47 HydrophobicContact CB-SD 3.57Å; A9-M47 VanDerWaalsContact CB-SD 3.57Å; A9-I69 HydrophobicContact CB-CD1 4.49Å; A9-I69 HydrophobicContact CB-CG2 3.77Å
10K91.5Very high89.6Confident30 Ų3042.8 Ų42.813%0.1322%0.218CC..Hα-helixtrans-57-51.3173.1170.6179.5174.5-174.70109.5L6 E7 Y12 I13 L14 W22 D35 I36L6-K10 PolarHBondContact O-N 2.98Å; E7-K10 WeakPolarHBondContact O-CB 3.5Å; E7-K10 PolarHBondContact O-N 2.87Å; K10-Y12 PolarHBondContact O-N 3.2Å; K10-I13 PolarHBondContact O-N 3.12Å; K10-I13 VanDerWaalsContact O-N 3.08Å; K10-L14 HydrophobicContact CD-CD1 4.48Å; K10-L14 HydrophobicContact CG-CD1 3.81Å; K10-L14 HydrophobicContact CG-CG 4.21Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 3.4Å; K10-L14 PolarHBondContact O-N 3.04Å; K10-W22 HydrophobicContact CB-CD2 4.29Å; K10-W22 HydrophobicContact CB-CE3 4.21Å; K10-W22 HydrophobicContact CB-CH2 3.9Å; K10-W22 HydrophobicContact CB-CZ2 3.94Å; K10-W22 HydrophobicContact CB-CZ3 4.02Å; K10-W22 HydrophobicContact CD-CD2 4.47Å; K10-W22 HydrophobicContact CD-CZ2 3.88Å; K10-W22 HydrophobicContact CG-CD2 3.87Å; K10-W22 HydrophobicContact CG-CE3 4.27Å; K10-W22 HydrophobicContact CG-CG 4.35Å; K10-W22 HydrophobicContact CG-CH2 4.34Å; K10-W22 HydrophobicContact CG-CZ2 3.9Å; K10-W22 HydrophobicContact CG-CZ3 4.49Å; K10-D35 IonicContact NZ-OD1 3.61Å; K10-D35 PolarHBondContact NZ-OD1 3.38Å; K10-I36 HydrophobicContact CB-CD1 3.76Å; K10-I36 HydrophobicContact CD-CD1 4.04Å; K10-I36 HydrophobicContact CG-CD1 4.47Å
11H91.6Very high89.6Confident57 Ų5741.4 Ų41.426%0.26421%0.212SC..Hα-helixtrans-61.6-40.5177.8-81.2-78.1000113.5E7 I13 L14 D15 Y72 Y76E7-H11 PolarHBondContact O-CD2 3.45Å; E7-H11 VanDerWaalsContact O-CD2 3.3Å; E7-H11 PolarHBondContact O-N 3.28Å; E7-H11 IonicContact OE1-CD2 3.8Å; E7-H11 IonicContact OE1-NE2 3.42Å; H11-I13 VanDerWaalsContact C-N 3.29Å; H11-I13 PolarHBondContact O-N 3.4Å; H11-L14 PolarHBondContact O-N 3.19Å; H11-D15 WeakPolarHBondContact O-CB 3.4Å; H11-D15 PolarHBondContact O-N 3.02Å; H11-Y72 HydrophobicContact CB-CE1 3.74Å; H11-Y76 HydrophobicContact CB-CD2 4.12Å; H11-Y76 HydrophobicContact CB-CE2 4.25Å; H11-Y76 AromaticContact CD2-CE2 3.25Å; H11-Y76 WeakPolarHBondContact CD2-CE2 3.32Å; H11-Y76 AromaticContact CD2-CZ 3.91Å; H11-Y76 AromaticContact CG-CE2 3.75Å; H11-Y76 AromaticContact NE2-CE2 3.69Å
12Y93.8Very high89.9Confident12 Ų1241.7 Ų41.75%0.04721%0.213CC..Hα-helixtrans-57-43.6171.8167.6-97.5000112.1A8 A9 K10 N16 Y17 D68 I69 Y72A8-Y12 PolarHBondContact O-N 3.21Å; A9-Y12 WeakPolarHBondContact O-CB 3.4Å; A9-Y12 PolarHBondContact O-N 3.46Å; K10-Y12 PolarHBondContact O-N 3.2Å; Y12-N16 WeakPolarHBondContact CD2-ND2 3.33Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.45Å; Y12-N16 WeakPolarHBondContact O-CB 3.23Å; Y12-N16 PolarHBondContact O-N 3.11Å; Y12-N16 PolarHBondContact O-ND2 3.39Å; Y12-Y17 AromaticContact CE1-CE2 3.96Å; Y12-Y17 HydrophobicContact CE1-CE2 3.96Å; Y12-D68 HydrophobicContact CE2-CB 3.74Å; Y12-D68 WeakPolarHBondContact OH-CB 3.08Å; Y12-I69 HydrophobicContact CD1-CD1 4.02Å; Y12-I69 HydrophobicContact CD1-CG1 3.32Å; Y12-I69 HydrophobicContact CE1-CD1 4.16Å; Y12-I69 HydrophobicContact CE1-CG1 3.56Å; Y12-I69 HydrophobicContact CG-CG1 3.86Å; Y12-Y72 AromaticContact CD2-CD2 3.97Å; Y12-Y72 HydrophobicContact CD2-CD2 3.97Å; Y12-Y72 AromaticContact CD2-CG 3.86Å; Y12-Y72 HydrophobicContact CD2-CG 3.86Å; Y12-Y72 HydrophobicContact CG-CG 4.27Å
13I92.6Very high89.9Confident0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-69.9-42.1-179.4-67.2160.5000111A9 K10 H11 Y17 G18 T21 W22 L25 I50 L54A9-I13 WeakPolarHBondContact O-CD1 3.5Å; A9-I13 VanDerWaalsContact O-CG1 3.25Å; A9-I13 WeakPolarHBondContact O-CG1 3.42Å; A9-I13 PolarHBondContact O-N 3.22Å; K10-I13 PolarHBondContact O-N 3.12Å; K10-I13 VanDerWaalsContact O-N 3.08Å; H11-I13 VanDerWaalsContact C-N 3.29Å; H11-I13 PolarHBondContact O-N 3.4Å; I13-Y17 HydrophobicContact CG2-CD2 4.39Å; I13-Y17 CarbonylContact O-C 3.55Å; I13-Y17 WeakPolarHBondContact O-CA 3.27Å; I13-Y17 WeakPolarHBondContact O-CB 3.31Å; I13-Y17 PolarHBondContact O-N 3.49Å; I13-G18 PolarHBondContact O-N 2.98Å; I13-T21 HydrophobicContact CG2-CG2 4.28Å; I13-W22 HydrophobicContact CB-CE3 4.39Å; I13-W22 HydrophobicContact CD1-CE3 3.82Å; I13-W22 HydrophobicContact CD1-CZ3 3.83Å; I13-W22 HydrophobicContact CG2-CB 4.23Å; I13-W22 HydrophobicContact CG2-CE3 4.33Å; I13-L25 HydrophobicContact CD1-CD1 3.77Å; I13-L25 HydrophobicContact CG1-CD1 4.35Å; I13-L25 HydrophobicContact CG2-CD1 3.88Å; I13-I50 HydrophobicContact CD1-CG2 3.78Å; I13-L54 HydrophobicContact CG1-CD2 4.24Å
14L91.7Very high90Very high45 Ų4546.3 Ų46.324%0.23623%0.233CC..Hα-helixtrans-62.1-47.4178.2-70.3176.2000111.2K10 H11 N16 G18 E19 W22K10-L14 HydrophobicContact CD-CD1 4.48Å; K10-L14 HydrophobicContact CG-CD1 3.81Å; K10-L14 HydrophobicContact CG-CG 4.21Å; K10-L14 VanDerWaalsContact O-CG 3.27Å; K10-L14 WeakPolarHBondContact O-CG 3.4Å; K10-L14 PolarHBondContact O-N 3.04Å; H11-L14 PolarHBondContact O-N 3.19Å; L14-N16 PolarHBondContact O-N 3.39Å; L14-G18 VanDerWaalsContact O-CA 3.22Å; L14-G18 WeakPolarHBondContact O-CA 3.46Å; L14-G18 PolarHBondContact O-N 2.78Å; L14-E19 HydrophobicContact CD2-CB 4.03Å; L14-E19 HydrophobicContact CD2-CG 4.31Å; L14-W22 HydrophobicContact CD2-CB 3.78Å; L14-W22 HydrophobicContact CD2-CG 4.24Å
15D91.2Very high90.3Very high94 Ų9444.5 Ų44.550%0.50322%0.223SC..Hα-helixtrans-67.6-36.1-177-75.510.8000112.4H11 Y72H11-D15 WeakPolarHBondContact O-CB 3.4Å; H11-D15 PolarHBondContact O-N 3.02Å; D15-Y72 HydrophobicContact CB-CE2 4.38Å; D15-Y72 VanDerWaalsContact CG-OH 3.32Å; D15-Y72 PolarHBondContact OD2-OH 3.21Å
16N91.5Very high90.3Very high90 Ų9041.9 Ų41.948%0.48121%0.21SC..Hα-helixtrans-96.7-28-175.1-66.5-46.8000114.5Y12 L14Y12-N16 WeakPolarHBondContact CD2-ND2 3.33Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.45Å; Y12-N16 WeakPolarHBondContact O-CB 3.23Å; Y12-N16 PolarHBondContact O-N 3.11Å; Y12-N16 PolarHBondContact O-ND2 3.39Å; L14-N16 PolarHBondContact O-N 3.39Å
17Y91.6Very high90.2Very high76 Ų7647 Ų4730%0.29823%0.231SC..Hα-helixtrans-131.4-2.1-172-49.1-73.2000114.1Y12 I13 T21 L54 I58Y12-Y17 AromaticContact CE1-CE2 3.96Å; Y12-Y17 HydrophobicContact CE1-CE2 3.96Å; I13-Y17 HydrophobicContact CG2-CD2 4.39Å; I13-Y17 CarbonylContact O-C 3.55Å; I13-Y17 WeakPolarHBondContact O-CA 3.27Å; I13-Y17 WeakPolarHBondContact O-CB 3.31Å; I13-Y17 PolarHBondContact O-N 3.49Å; Y17-T21 WeakPolarHBondContact O-CB 3.44Å; Y17-T21 PolarHBondContact O-OG1 2.96Å; Y17-L54 HydrophobicContact CD2-CD1 4.38Å; Y17-L54 HydrophobicContact CD2-CD2 4.27Å; Y17-L54 HydrophobicContact CE2-CD1 4.46Å; Y17-L54 HydrophobicContact CE2-CD2 3.89Å; Y17-I58 HydrophobicContact CD1-CG2 4.27Å; Y17-I58 HydrophobicContact CE1-CD1 4.04Å; Y17-I58 HydrophobicContact CE1-CG2 3.95Å; Y17-I58 WeakPolarHBondContact OH-CD1 3.49Å
18G90.4Very high90.1Very high29 Ų2951.2 Ų51.230%0.29925%0.25SC..  trans77.6169176.100000115.6I13 L14 N20 T21 W22I13-G18 PolarHBondContact O-N 2.98Å; L14-G18 VanDerWaalsContact O-CA 3.22Å; L14-G18 WeakPolarHBondContact O-CA 3.46Å; L14-G18 PolarHBondContact O-N 2.78Å; G18-N20 PolarHBondContact O-N 3.07Å; G18-T21 PolarHBondContact O-N 3.4Å; G18-W22 PolarHBondContact O-N 3.35Å
19E89.5Confident89.8Confident135 Ų13551.5 Ų51.563%0.63125%0.252SS*.Hα-helixtrans-63.5-40.1-174.9-171.6171.8-169.400113.9L14 T21 W22 I23L14-E19 HydrophobicContact CD2-CB 4.03Å; L14-E19 HydrophobicContact CD2-CG 4.31Å; E19-T21 PolarHBondContact O-N 3.14Å; E19-W22 WeakPolarHBondContact O-CB 3.29Å; E19-W22 PolarHBondContact O-N 2.85Å; E19-I23 HydrophobicContact CG-CD1 4.02Å; E19-I23 HydrophobicContact CG-CG1 4.43Å; E19-I23 WeakPolarHBondContact O-CG1 3.03Å; E19-I23 PolarHBondContact O-N 2.93Å
20N89.6Confident89.3Confident135 Ų13554.1 Ų54.172%0.72227%0.267SS*.Hα-helixtrans-58-34.9177-70.5-29.7000112.3G18 W24G18-N20 PolarHBondContact O-N 3.07Å; N20-W24 VanDerWaalsContact O-CB 3.29Å; N20-W24 WeakPolarHBondContact O-CB 3.07Å; N20-W24 PolarHBondContact O-N 3.43Å; N20-W24 VanDerWaalsContact O-N 3.15Å
21T89.7Confident88.7Confident15 Ų1555.5 Ų55.59%0.09229%0.291CS..Hα-helixtrans-71.1-40177.3-57.70000111.1I13 Y17 G18 E19 W24 L25 L54I13-T21 HydrophobicContact CG2-CG2 4.28Å; Y17-T21 WeakPolarHBondContact O-CB 3.44Å; Y17-T21 PolarHBondContact O-OG1 2.96Å; G18-T21 PolarHBondContact O-N 3.4Å; E19-T21 PolarHBondContact O-N 3.14Å; T21-W24 PolarHBondContact O-N 2.85Å; T21-L25 HydrophobicContact CG2-CD1 4.22Å; T21-L25 WeakPolarHBondContact O-CB 3.39Å; T21-L25 WeakPolarHBondContact O-CG 3.35Å; T21-L25 PolarHBondContact O-N 3.42Å; T21-L54 HydrophobicContact CG2-CD1 4.24Å
22W89.6Confident88.1Confident13 Ų1360.6 Ų60.65%0.04931%0.312CS..Hα-helixtrans-62-51175.3174.9-110.8000112.3K10 I13 L14 G18 E19 W24 L25 C26 I36 I50K10-W22 HydrophobicContact CB-CD2 4.29Å; K10-W22 HydrophobicContact CB-CE3 4.21Å; K10-W22 HydrophobicContact CB-CH2 3.9Å; K10-W22 HydrophobicContact CB-CZ2 3.94Å; K10-W22 HydrophobicContact CB-CZ3 4.02Å; K10-W22 HydrophobicContact CD-CD2 4.47Å; K10-W22 HydrophobicContact CD-CZ2 3.88Å; K10-W22 HydrophobicContact CG-CD2 3.87Å; K10-W22 HydrophobicContact CG-CE3 4.27Å; K10-W22 HydrophobicContact CG-CG 4.35Å; K10-W22 HydrophobicContact CG-CH2 4.34Å; K10-W22 HydrophobicContact CG-CZ2 3.9Å; K10-W22 HydrophobicContact CG-CZ3 4.49Å; I13-W22 HydrophobicContact CB-CE3 4.39Å; I13-W22 HydrophobicContact CD1-CE3 3.82Å; I13-W22 HydrophobicContact CD1-CZ3 3.83Å; I13-W22 HydrophobicContact CG2-CB 4.23Å; I13-W22 HydrophobicContact CG2-CE3 4.33Å; L14-W22 HydrophobicContact CD2-CB 3.78Å; L14-W22 HydrophobicContact CD2-CG 4.24Å; G18-W22 PolarHBondContact O-N 3.35Å; E19-W22 WeakPolarHBondContact O-CB 3.29Å; E19-W22 PolarHBondContact O-N 2.85Å; W22-W24 VanDerWaalsContact C-N 3.28Å; W22-W24 PolarHBondContact O-N 3.29Å; W22-L25 WeakPolarHBondContact O-CB 3.36Å; W22-L25 PolarHBondContact O-N 2.69Å; W22-L25 VanDerWaalsContact O-N 3.1Å; W22-C26 WeakPolarHBondContact CZ2-SG 3.22Å; W22-C26 PolarHBondContact O-N 3.38Å; W22-I36 HydrophobicContact CH2-CD1 3.54Å; W22-I36 HydrophobicContact CH2-CG1 4.42Å; W22-I36 HydrophobicContact CZ2-CD1 3.52Å; W22-I36 HydrophobicContact CZ2-CG1 4.13Å; W22-I50 HydrophobicContact CH2-CD1 4.48Å; W22-I50 HydrophobicContact CZ3-CD1 4.44Å
23I87.5Confident87.2Confident34 Ų3465.4 Ų65.417%0.17434%0.335CS..Hα-helixtrans-57.5-44.8178.9-65.7169.8000110.5E19 C26 K27 E33E19-I23 HydrophobicContact CG-CD1 4.02Å; E19-I23 HydrophobicContact CG-CG1 4.43Å; E19-I23 WeakPolarHBondContact O-CG1 3.03Å; E19-I23 PolarHBondContact O-N 2.93Å; I23-C26 PolarHBondContact O-N 2.98Å; I23-K27 HydrophobicContact CG2-CD 4.16Å; I23-K27 WeakPolarHBondContact O-CG 3.47Å; I23-K27 PolarHBondContact O-N 3.03Å; I23-E33 HydrophobicContact CG2-CG 4.45Å
24W88.4Confident86.4Confident82 Ų8267.6 Ų67.631%0.31134%0.344SS..Hα-helixtrans-61.4-44176.217487.4000112.5N20 T21 W22 C26 K27 K28 I53 R57N20-W24 VanDerWaalsContact O-CB 3.29Å; N20-W24 WeakPolarHBondContact O-CB 3.07Å; N20-W24 PolarHBondContact O-N 3.43Å; N20-W24 VanDerWaalsContact O-N 3.15Å; T21-W24 PolarHBondContact O-N 2.85Å; W22-W24 VanDerWaalsContact C-N 3.28Å; W22-W24 PolarHBondContact O-N 3.29Å; W24-C26 PolarHBondContact O-N 3.36Å; W24-K27 PolarHBondContact O-N 2.85Å; W24-K28 HydrophobicContact CH2-CD 3.9Å; W24-K28 HydrophobicContact CZ2-CD 3.48Å; W24-K28 VanDerWaalsContact CZ2-CD 3.48Å; W24-K28 WeakPolarHBondContact O-CB 3.44Å; W24-K28 PolarHBondContact O-N 3.48Å; W24-I53 HydrophobicContact CH2-CG2 3.54Å; W24-I53 HydrophobicContact CZ2-CG2 4.42Å; W24-I53 HydrophobicContact CZ3-CG2 3.7Å; W24-R57 HydrophobicContact CH2-CB 3.94Å; W24-R57 HydrophobicContact CH2-CG 4.3Å; W24-R57 HydrophobicContact CZ3-CB 4.2Å; W24-R57 VanDerWaalsContact CZ3-CD 3.45Å; W24-R57 HydrophobicContact CZ3-CG 4.44Å
25L89.2Confident85.9Confident0 Ų071 Ų710%036%0.363CS..Hα-helixtrans-62.6-41.4176.5-79.8169.7000111.9I13 T21 W22 S29 I50 I53 L54I13-L25 HydrophobicContact CD1-CD1 3.77Å; I13-L25 HydrophobicContact CG1-CD1 4.35Å; I13-L25 HydrophobicContact CG2-CD1 3.88Å; T21-L25 HydrophobicContact CG2-CD1 4.22Å; T21-L25 WeakPolarHBondContact O-CB 3.39Å; T21-L25 WeakPolarHBondContact O-CG 3.35Å; T21-L25 PolarHBondContact O-N 3.42Å; W22-L25 WeakPolarHBondContact O-CB 3.36Å; W22-L25 PolarHBondContact O-N 2.69Å; W22-L25 VanDerWaalsContact O-N 3.1Å; L25-S29 WeakPolarHBondContact O-CB 3.28Å; L25-S29 PolarHBondContact O-N 2.86Å; L25-S29 PolarHBondContact O-OG 3.15Å; L25-I50 HydrophobicContact CD1-CG2 4.23Å; L25-I53 HydrophobicContact CD2-CB 3.97Å; L25-I53 HydrophobicContact CD2-CG2 3.64Å; L25-L54 HydrophobicContact CD1-CB 4.39Å; L25-L54 HydrophobicContact CD1-CD1 4.29Å; L25-L54 HydrophobicContact CD2-CB 4.11Å
26C86.3Confident85.5Confident1 Ų167.3 Ų67.31%0.00734%0.343CS..Hα-helixtrans-61-48.5176.8-75.50000111.7W22 I23 W24 S29 T30 K32 F34W22-C26 WeakPolarHBondContact CZ2-SG 3.22Å; W22-C26 PolarHBondContact O-N 3.38Å; I23-C26 PolarHBondContact O-N 2.98Å; W24-C26 PolarHBondContact O-N 3.36Å; C26-S29 PolarHBondContact O-N 3.24Å; C26-S29 PolarHBondContact O-OG 3.06Å; C26-T30 PolarHBondContact O-N 3.17Å; C26-T30 PolarHBondContact O-OG1 3.33Å; C26-K32 CarbonylContact C-O 3.57Å; C26-F34 HydrophobicContact CB-CD1 4.28Å; C26-F34 HydrophobicContact CB-CE1 4.15Å
27K87.6Confident85.1Confident108 Ų10868.1 Ų68.147%0.4734%0.344SS..Hα-helixtrans-61.6-47.9177.6-72.5175.4-178.2168.80111.6I23 W24 G31 E33I23-K27 HydrophobicContact CG2-CD 4.16Å; I23-K27 WeakPolarHBondContact O-CG 3.47Å; I23-K27 PolarHBondContact O-N 3.03Å; W24-K27 PolarHBondContact O-N 2.85Å; K27-G31 WeakPolarHBondContact O-CA 3.44Å; K27-G31 PolarHBondContact O-N 3.25Å; K27-E33 VanDerWaalsContact CE-OE2 3.3Å; K27-E33 WeakPolarHBondContact CE-OE2 3.22Å; K27-E33 IonicContact NZ-OE2 2.81Å; K27-E33 PolarHBondContact NZ-OE2 3.49Å
28K87.3Confident84.8Confident118 Ų11867.4 Ų67.451%0.51335%0.347SS..Hα-helixtrans-71.6-32.3-177.9-168.5167.6174.5-1730113.1W24 I53W24-K28 HydrophobicContact CH2-CD 3.9Å; W24-K28 HydrophobicContact CZ2-CD 3.48Å; W24-K28 VanDerWaalsContact CZ2-CD 3.48Å; W24-K28 WeakPolarHBondContact O-CB 3.44Å; W24-K28 PolarHBondContact O-N 3.48Å; K28-I53 HydrophobicContact CB-CG2 4.37Å; K28-I53 HydrophobicContact CD-CG2 3.65Å; K28-I53 HydrophobicContact CG-CD1 4.3Å; K28-I53 HydrophobicContact CG-CG2 4.07Å
29S83.8Confident84.2Confident7 Ų775.5 Ų75.55%0.04937%0.369CS..Hα-helixtrans-78-65.5175.964.80000110.5L25 C26 R49L25-S29 WeakPolarHBondContact O-CB 3.28Å; L25-S29 PolarHBondContact O-N 2.86Å; L25-S29 PolarHBondContact O-OG 3.15Å; C26-S29 PolarHBondContact O-N 3.24Å; C26-S29 PolarHBondContact O-OG 3.06Å; S29-R49 PolarHBondContact O-NH1 3.05Å; S29-R49 PolarHBondContact O-NH2 2.76Å
30T80.4Confident84Confident55 Ų5573.7 Ų73.734%0.33736%0.359SS..Hα-helixtrans-94.1-7.7-168.363.50000115.4C26 K32 F34 L46C26-T30 PolarHBondContact O-N 3.17Å; C26-T30 PolarHBondContact O-OG1 3.33Å; T30-K32 PolarHBondContact O-N 3.41Å; T30-K32 PolarHBondContact OG1-O 3.5Å; T30-F34 HydrophobicContact CG2-CD1 4.15Å; T30-F34 HydrophobicContact CG2-CE1 3.4Å; T30-F34 VanDerWaalsContact CG2-CE1 3.4Å; T30-F34 HydrophobicContact CG2-CZ 4Å; T30-F34 VanDerWaalsContact OG1-CD1 3.29Å; T30-F34 WeakPolarHBondContact OG1-CD1 3.07Å; T30-F34 VanDerWaalsContact OG1-CE1 3.25Å; T30-F34 WeakPolarHBondContact OG1-CE1 3.49Å; T30-L46 HydrophobicContact CG2-CD1 3.84Å
31G78.8Confident83.8Confident60 Ų6071.2 Ų71.262%0.61935%0.345SS*.SBendtrans81.9-7.9-174.600000114.1K27K27-G31 WeakPolarHBondContact O-CA 3.44Å; K27-G31 PolarHBondContact O-N 3.25Å
32K79.7Confident83.7Confident163 Ų16371.9 Ų71.971%0.70935%0.346SS*.SBendtrans-139.4157.3179.7-65.4-174.3-179.6-177.40111.3C26 T30C26-K32 CarbonylContact C-O 3.57Å; T30-K32 PolarHBondContact O-N 3.41Å; T30-K32 PolarHBondContact OG1-O 3.5Å
33E74.5Confident83.7Confident113 Ų11377.7 Ų77.753%0.52837%0.373SS..  trans-77.2132164.2-165164.5166.600108.4I23 K27I23-E33 HydrophobicContact CG2-CG 4.45Å; K27-E33 VanDerWaalsContact CE-OE2 3.3Å; K27-E33 WeakPolarHBondContact CE-OE2 3.22Å; K27-E33 IonicContact NZ-OE2 2.81Å; K27-E33 PolarHBondContact NZ-OE2 3.49Å
34F76.4Confident83.6Confident46 Ų4678.3 Ų78.320%0.20238%0.377CS..  trans-149.8148.4179.271.8-82.3000109.9C26 T30 I36 Y42 L46C26-F34 HydrophobicContact CB-CD1 4.28Å; C26-F34 HydrophobicContact CB-CE1 4.15Å; T30-F34 HydrophobicContact CG2-CD1 4.15Å; T30-F34 HydrophobicContact CG2-CE1 3.4Å; T30-F34 VanDerWaalsContact CG2-CE1 3.4Å; T30-F34 HydrophobicContact CG2-CZ 4Å; T30-F34 VanDerWaalsContact OG1-CD1 3.29Å; T30-F34 WeakPolarHBondContact OG1-CD1 3.07Å; T30-F34 VanDerWaalsContact OG1-CE1 3.25Å; T30-F34 WeakPolarHBondContact OG1-CE1 3.49Å; F34-I36 HydrophobicContact CE2-CG1 3.95Å; F34-Y42 HydrophobicContact CD2-CE1 4.14Å; F34-Y42 HydrophobicContact CE2-CD1 4.41Å; F34-Y42 AromaticContact CE2-CE1 3.69Å; F34-Y42 HydrophobicContact CE2-CE1 3.69Å; F34-L46 HydrophobicContact CZ-CD2 4.32Å
35D80.1Confident83.6Confident117 Ų11778.3 Ų78.363%0.62638%0.383SS*.PPolyproline II helixtrans-89.6148.6167.4-92.5-41.2000111.7K10K10-D35 IonicContact NZ-OD1 3.61Å; K10-D35 PolarHBondContact NZ-OD1 3.38Å
36I83.3Confident83.6Confident16 Ų1678.8 Ų78.88%0.08239%0.385CS..PPolyproline II helixtrans-84.8122.2-179.9-66.5159.8000109.1G3 L6 E7 K10 W22 F34 Y42G3-I36 VanDerWaalsContact O-CG2 3.28Å; G3-I36 WeakPolarHBondContact O-CG2 3.49Å; L6-I36 HydrophobicContact CB-CD1 3.64Å; L6-I36 HydrophobicContact CB-CG1 4.15Å; L6-I36 HydrophobicContact CB-CG2 4.01Å; L6-I36 WeakPolarHBondContact O-CD1 3.32Å; E7-I36 HydrophobicContact CB-CG2 4.28Å; E7-I36 VanDerWaalsContact OE2-CB 3.26Å; E7-I36 WeakPolarHBondContact OE2-CB 3.24Å; E7-I36 WeakPolarHBondContact OE2-CG2 3.36Å; K10-I36 HydrophobicContact CB-CD1 3.76Å; K10-I36 HydrophobicContact CD-CD1 4.04Å; K10-I36 HydrophobicContact CG-CD1 4.47Å; W22-I36 HydrophobicContact CH2-CD1 3.54Å; W22-I36 HydrophobicContact CH2-CG1 4.42Å; W22-I36 HydrophobicContact CZ2-CD1 3.52Å; W22-I36 HydrophobicContact CZ2-CG1 4.13Å; F34-I36 HydrophobicContact CE2-CG1 3.95Å; I36-Y42 WeakPolarHBondContact CA-OH 3.45Å; I36-Y42 HydrophobicContact CG2-CE2 4.35Å
37E84.2Confident83.8Confident108 Ų10878.8 Ų78.851%0.50539%0.385SS..PPolyproline II helixtrans-94.4117.2169.7-67.6170.1-119.900108.9G3 R39 K40 Y42G3-E37 WeakPolarHBondContact CA-O 3.47Å; E37-R39 PolarHBondContact O-N 3.39Å; E37-R39 VanDerWaalsContact O-N 3.1Å; E37-K40 HydrophobicContact CB-CB 3.67Å; E37-K40 HydrophobicContact CB-CD 4.18Å; E37-K40 HydrophobicContact CG-CD 4.43Å; E37-K40 WeakPolarHBondContact O-CB 3.39Å; E37-K40 PolarHBondContact O-N 2.69Å; E37-K40 WeakPolarHBondContact OE1-CD 3.36Å; E37-K40 IonicContact OE1-NZ 3.68Å; E37-K40 PolarHBondContact OE1-NZ 2.91Å; E37-Y42 PolarHBondContact N-OH 3.43Å
38T83.4Confident83.9Confident60 Ų6074.3 Ų74.337%0.36837%0.369SS..THydrogen-bonded Turntrans-55.7-34.6-174.255.70000114.3G3 I4 E7G3-T38 PolarHBondContact N-O 2.94Å; G3-T38 VanDerWaalsContact N-O 3.16Å; I4-T38 PolarHBondContact N-O 3.42Å; E7-T38 HydrophobicContact CB-CG2 4.48Å; E7-T38 HydrophobicContact CG-CG2 4.45Å
39R79.8Confident84Confident200 Ų20073.8 Ų73.876%0.75536%0.363SS*.THydrogen-bonded Turntrans-90.7-6.8-179-65.8-174.3-179.9-175.70.7114.3Y2 E37Y2-R39 WeakPolarHBondContact CD1-O 3.35Å; Y2-R39 VanDerWaalsContact CE1-O 3.26Å; Y2-R39 WeakPolarHBondContact CE1-O 3.39Å; E37-R39 PolarHBondContact O-N 3.39Å; E37-R39 VanDerWaalsContact O-N 3.1Å
40K85.3Confident84.3Confident97 Ų9773.5 Ų73.542%0.42236%0.361SS..SBendtrans-79.6147.9177.8-172.2171.2-171.8169.50110.8Y2 G3 E37 Y42Y2-K40 CarbonylContact C-O 3.48Å; Y2-K40 WeakPolarHBondContact CA-O 3.26Å; G3-K40 PolarHBondContact N-O 2.8Å; E37-K40 HydrophobicContact CB-CB 3.67Å; E37-K40 HydrophobicContact CB-CD 4.18Å; E37-K40 HydrophobicContact CG-CD 4.43Å; E37-K40 WeakPolarHBondContact O-CB 3.39Å; E37-K40 PolarHBondContact O-N 2.69Å; E37-K40 WeakPolarHBondContact OE1-CD 3.36Å; E37-K40 IonicContact OE1-NZ 3.68Å; E37-K40 PolarHBondContact OE1-NZ 2.91Å; K40-Y42 HydrophobicContact CB-CE2 3.78Å; K40-Y42 HydrophobicContact CD-CE1 4.48Å; K40-Y42 HydrophobicContact CD-CE2 4.36Å; K40-Y42 HydrophobicContact CG-CE2 4.09Å; K40-Y42 WeakPolarHBondContact O-CD2 3.27Å
41I85.2Confident84.8Confident83 Ų8370.9 Ų70.943%0.42635%0.345SS..BIsolated β-bridgetrans-97.1120.8177.8-58.4175.1000108.4M1 Y2 R113M1-I41 CarbonylContact O-C 3.59Å; M1-I41 WeakPolarHBondContact O-CA 3.4Å; Y2-I41 HydrophobicContact CD1-CG1 4.03Å; Y2-I41 HydrophobicContact CE1-CD1 4.23Å; Y2-I41 HydrophobicContact CE1-CG1 3.69Å; I41-R113 HydrophobicContact CD1-CB 3.78Å; I41-R113 HydrophobicContact CD1-CG 4.28Å
42Y87.8Confident85.5Confident29 Ų2970.6 Ų70.611%0.11433%0.332CS..PPolyproline II helixtrans-103.6164175.6-63.8-94.2000111M1 L6 F34 I36 E37 K40 L46M1-Y42 PolarHBondContact N-O 3.15Å; M1-Y42 PolarHBondContact O-N 3.31Å; L6-Y42 HydrophobicContact CD1-CD1 3.93Å; L6-Y42 HydrophobicContact CD1-CD2 3.56Å; L6-Y42 HydrophobicContact CD1-CE1 4.46Å; L6-Y42 HydrophobicContact CD1-CE2 4.14Å; L6-Y42 HydrophobicContact CD1-CG 3.45Å; L6-Y42 VanDerWaalsContact CD1-CG 3.45Å; F34-Y42 HydrophobicContact CD2-CE1 4.14Å; F34-Y42 HydrophobicContact CE2-CD1 4.41Å; F34-Y42 AromaticContact CE2-CE1 3.69Å; F34-Y42 HydrophobicContact CE2-CE1 3.69Å; I36-Y42 WeakPolarHBondContact CA-OH 3.45Å; I36-Y42 HydrophobicContact CG2-CE2 4.35Å; E37-Y42 PolarHBondContact N-OH 3.43Å; K40-Y42 HydrophobicContact CB-CE2 3.78Å; K40-Y42 HydrophobicContact CD-CE1 4.48Å; K40-Y42 HydrophobicContact CD-CE2 4.36Å; K40-Y42 HydrophobicContact CG-CE2 4.09Å; K40-Y42 WeakPolarHBondContact O-CD2 3.27Å; Y42-L46 HydrophobicContact CD1-CD2 3.86Å; Y42-L46 HydrophobicContact CG-CD2 4.24Å
43H88.8Confident86Confident134 Ų13463.6 Ų63.662%0.6230%0.302SS*.PPolyproline II helixtrans-60.4141.3175.8-164.3-88.2000111.7N45 L46H43-N45 PolarHBondContact ND1-N 3.46Å; H43-N45 PolarHBondContact O-N 2.63Å; H43-L46 WeakPolarHBondContact O-CB 3.31Å; H43-L46 PolarHBondContact O-N 3.48Å; H43-L46 VanDerWaalsContact O-N 3.13Å
44D85.6Confident86.9Confident48 Ų4858.2 Ų58.226%0.25728%0.276SS..THydrogen-bonded Turntrans-66.5-23.4-172.7-74.3-8.2000113.5M1 R137 Y140M1-D44 PolarHBondContact N-OD1 3.32Å; D44-R137 VanDerWaalsContact CG-CZ 3.49Å; D44-R137 IonicContact OD1-CZ 3.87Å; D44-R137 IonicContact OD1-NH1 3.41Å; D44-R137 PolarHBondContact OD1-NH1 3.42Å; D44-R137 IonicContact OD1-NH2 3.33Å; D44-R137 PolarHBondContact OD1-NH2 2.85Å; D44-R137 IonicContact OD2-CZ 3.26Å; D44-R137 IonicContact OD2-NH1 2.84Å; D44-R137 PolarHBondContact OD2-NH1 3.47Å; D44-R137 IonicContact OD2-NH2 2.77Å; D44-R137 PolarHBondContact OD2-NH2 2.79Å; D44-Y140 PolarHBondContact O-OH 2.82Å
45N88.1Confident87.7Confident82 Ų8256.9 Ų56.944%0.43927%0.273SS..THydrogen-bonded Turntrans-86.9-5.8177.7-61-11.5000114.1H43 M47 A48 R49H43-N45 PolarHBondContact ND1-N 3.46Å; H43-N45 PolarHBondContact O-N 2.63Å; N45-M47 PolarHBondContact O-N 3.1Å; N45-A48 PolarHBondContact O-N 3.24Å; N45-R49 WeakPolarHBondContact O-CB 3.22Å; N45-R49 PolarHBondContact O-N 3.12Å
46L89.2Confident88.1Confident9 Ų956.3 Ų56.35%0.04727%0.27CS..Hα-helixtrans-61.4-44.2-173.3-179.258.3000112.2L6 T30 F34 Y42 H43 R49 I50L6-L46 HydrophobicContact CD1-CD2 3.7Å; L6-L46 HydrophobicContact CD2-CD2 4.35Å; L6-L46 HydrophobicContact CD2-CG 4.32Å; T30-L46 HydrophobicContact CG2-CD1 3.84Å; F34-L46 HydrophobicContact CZ-CD2 4.32Å; Y42-L46 HydrophobicContact CD1-CD2 3.86Å; Y42-L46 HydrophobicContact CG-CD2 4.24Å; H43-L46 WeakPolarHBondContact O-CB 3.31Å; H43-L46 PolarHBondContact O-N 3.48Å; H43-L46 VanDerWaalsContact O-N 3.13Å; L46-R49 PolarHBondContact O-N 3.32Å; L46-I50 HydrophobicContact CD1-CD1 4.16Å; L46-I50 HydrophobicContact CD1-CG1 4.29Å; L46-I50 HydrophobicContact CG-CD1 4.02Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.2Å
47M90.3Very high88.4Confident2 Ų260.9 Ų60.91%0.0129%0.286CS..Hα-helixtrans-60-47.4176.8-168.764.3-118.200111.7M1 L6 A9 N45 R49 I50 A51 L66 I69 Y140M1-M47 HydrophobicContact CE-CB 3.94Å; M1-M47 HydrophobicContact CE-CG 4.47Å; M1-M47 HydrophobicContact SD-CB 4.47Å; L6-M47 HydrophobicContact CD2-CB 4.27Å; L6-M47 HydrophobicContact CD2-SD 3.95Å; A9-M47 HydrophobicContact CB-CE 3.53Å; A9-M47 HydrophobicContact CB-SD 3.57Å; A9-M47 VanDerWaalsContact CB-SD 3.57Å; N45-M47 PolarHBondContact O-N 3.1Å; M47-R49 VanDerWaalsContact C-N 3.3Å; M47-R49 PolarHBondContact O-N 3.45Å; M47-I50 PolarHBondContact O-N 3.13Å; M47-A51 WeakPolarHBondContact O-CB 3.37Å; M47-A51 PolarHBondContact O-N 2.96Å; M47-L66 HydrophobicContact CG-CD2 4.35Å; M47-I69 HydrophobicContact CE-CD1 3.37Å; M47-I69 HydrophobicContact CE-CG1 4.45Å; M47-I69 HydrophobicContact CE-CG2 3.94Å; M47-Y140 HydrophobicContact CB-CE1 4.06Å; M47-Y140 VanDerWaalsContact CB-OH 3.28Å; M47-Y140 WeakPolarHBondContact CB-OH 3.46Å; M47-Y140 HydrophobicContact CG-CE1 4.05Å
48A89.8Confident88.6Confident14 Ų1457.7 Ų57.712%0.11627%0.272CS..Hα-helixtrans-62.1-39.4177.800000111.5N45 A51 T52N45-A48 PolarHBondContact O-N 3.24Å; A48-A51 PolarHBondContact O-N 3.45Å; A48-T52 PolarHBondContact O-N 2.95Å; A48-T52 PolarHBondContact O-OG1 2.86Å; A48-T52 VanDerWaalsContact O-OG1 3.04Å
49R89.5Confident88.9Confident106 Ų10663.9 Ų63.940%0.429%0.294SS..Hα-helixtrans-67.9-42.1177.1-170.4175.366.4175.2-1.1112.3S29 N45 L46 M47 A51 T52 I53S29-R49 PolarHBondContact O-NH1 3.05Å; S29-R49 PolarHBondContact O-NH2 2.76Å; N45-R49 WeakPolarHBondContact O-CB 3.22Å; N45-R49 PolarHBondContact O-N 3.12Å; L46-R49 PolarHBondContact O-N 3.32Å; M47-R49 VanDerWaalsContact C-N 3.3Å; M47-R49 PolarHBondContact O-N 3.45Å; R49-A51 VanDerWaalsContact C-N 3.31Å; R49-T52 PolarHBondContact O-N 3.34Å; R49-I53 HydrophobicContact CG-CD1 3.84Å; R49-I53 HydrophobicContact CG-CG1 4.41Å; R49-I53 VanDerWaalsContact O-CG1 3.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.38Å; R49-I53 PolarHBondContact O-N 3.38Å
50I90.3Very high89.5Confident2 Ų256.7 Ų56.71%0.0127%0.273CS..Hα-helixtrans-59.3-46.1174-70.4168.5000109.8L6 I13 W22 L25 L46 M47 I53 L54L6-I50 HydrophobicContact CD2-CD1 4.34Å; I13-I50 HydrophobicContact CD1-CG2 3.78Å; W22-I50 HydrophobicContact CH2-CD1 4.48Å; W22-I50 HydrophobicContact CZ3-CD1 4.44Å; L25-I50 HydrophobicContact CD1-CG2 4.23Å; L46-I50 HydrophobicContact CD1-CD1 4.16Å; L46-I50 HydrophobicContact CD1-CG1 4.29Å; L46-I50 HydrophobicContact CG-CD1 4.02Å; L46-I50 WeakPolarHBondContact O-CG1 3.41Å; L46-I50 PolarHBondContact O-N 3.2Å; M47-I50 PolarHBondContact O-N 3.13Å; I50-I53 PolarHBondContact O-N 2.76Å; I50-L54 VanDerWaalsContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 2.85Å
51A91.3Very high89.8Confident0 Ų056.3 Ų56.30%028%0.275CS..Hα-helixtrans-63-42.317800000112.5M47 A48 R49 L54 S55 K62 I65 L66M47-A51 WeakPolarHBondContact O-CB 3.37Å; M47-A51 PolarHBondContact O-N 2.96Å; A48-A51 PolarHBondContact O-N 3.45Å; R49-A51 VanDerWaalsContact C-N 3.31Å; A51-L54 PolarHBondContact O-N 3.4Å; A51-S55 WeakPolarHBondContact O-CB 3.26Å; A51-S55 PolarHBondContact O-N 2.87Å; A51-K62 HydrophobicContact CB-CG 4.07Å; A51-I65 HydrophobicContact CB-CG2 4.09Å; A51-L66 HydrophobicContact CB-CD2 3.8Å; A51-L66 HydrophobicContact CB-CG 3.89Å
52T92.4Very high90.1Very high54 Ų5455.3 Ų55.333%0.33127%0.268SS..Hα-helixtrans-63.5-46.3175.8-62.50000112A48 R49 L54 S55 D56 K62A48-T52 PolarHBondContact O-N 2.95Å; A48-T52 PolarHBondContact O-OG1 2.86Å; A48-T52 VanDerWaalsContact O-OG1 3.04Å; R49-T52 PolarHBondContact O-N 3.34Å; T52-L54 VanDerWaalsContact C-N 3.3Å; T52-L54 PolarHBondContact O-N 3.42Å; T52-S55 VanDerWaalsContact O-CB 3.3Å; T52-S55 WeakPolarHBondContact O-CB 3.41Å; T52-S55 PolarHBondContact O-N 3.28Å; T52-D56 PolarHBondContact O-N 3.39Å; T52-D56 VanDerWaalsContact O-N 3.07Å; T52-K62 WeakPolarHBondContact OG1-CD 3.49Å; T52-K62 WeakPolarHBondContact OG1-CE 3.48Å
53I91.4Very high90.4Very high15 Ų1556.5 Ų56.58%0.07728%0.276CS..Hα-helixtrans-65.7-36.8179.5-65.1166.3000111.2W24 L25 K28 R49 I50 R57W24-I53 HydrophobicContact CH2-CG2 3.54Å; W24-I53 HydrophobicContact CZ2-CG2 4.42Å; W24-I53 HydrophobicContact CZ3-CG2 3.7Å; L25-I53 HydrophobicContact CD2-CB 3.97Å; L25-I53 HydrophobicContact CD2-CG2 3.64Å; K28-I53 HydrophobicContact CB-CG2 4.37Å; K28-I53 HydrophobicContact CD-CG2 3.65Å; K28-I53 HydrophobicContact CG-CD1 4.3Å; K28-I53 HydrophobicContact CG-CG2 4.07Å; R49-I53 HydrophobicContact CG-CD1 3.84Å; R49-I53 HydrophobicContact CG-CG1 4.41Å; R49-I53 VanDerWaalsContact O-CG1 3.25Å; R49-I53 WeakPolarHBondContact O-CG1 3.38Å; R49-I53 PolarHBondContact O-N 3.38Å; I50-I53 PolarHBondContact O-N 2.76Å; I53-R57 PolarHBondContact O-N 2.92Å
54L92Very high90.6Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-67.1-45.3174.7-177.358.6000110.6I13 Y17 T21 L25 I50 A51 T52 D56 R57 I58 I65I13-L54 HydrophobicContact CG1-CD2 4.24Å; Y17-L54 HydrophobicContact CD2-CD1 4.38Å; Y17-L54 HydrophobicContact CD2-CD2 4.27Å; Y17-L54 HydrophobicContact CE2-CD1 4.46Å; Y17-L54 HydrophobicContact CE2-CD2 3.89Å; T21-L54 HydrophobicContact CG2-CD1 4.24Å; L25-L54 HydrophobicContact CD1-CB 4.39Å; L25-L54 HydrophobicContact CD1-CD1 4.29Å; L25-L54 HydrophobicContact CD2-CB 4.11Å; I50-L54 VanDerWaalsContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 2.85Å; A51-L54 PolarHBondContact O-N 3.4Å; T52-L54 VanDerWaalsContact C-N 3.3Å; T52-L54 PolarHBondContact O-N 3.42Å; L54-D56 VanDerWaalsContact C-N 3.3Å; L54-D56 PolarHBondContact O-N 3.41Å; L54-R57 WeakPolarHBondContact O-CA 3.35Å; L54-R57 WeakPolarHBondContact O-CB 3.46Å; L54-R57 PolarHBondContact O-N 3.44Å; L54-I58 HydrophobicContact CD1-CD1 4.4Å; L54-I58 HydrophobicContact CD1-CG2 3.88Å; L54-I58 HydrophobicContact CG-CD1 4.07Å; L54-I58 HydrophobicContact CG-CG1 4.39Å; L54-I58 WeakPolarHBondContact O-CG1 2.95Å; L54-I58 PolarHBondContact O-N 2.9Å; L54-I65 HydrophobicContact CB-CD1 4.31Å; L54-I65 HydrophobicContact CD2-CD1 4.45Å; L54-I65 HydrophobicContact CD2-CG2 4.04Å; L54-I65 HydrophobicContact CG-CD1 4.13Å
55S93.1Very high91Very high19 Ų1951.8 Ų51.813%0.13326%0.255CS..Hα-helixtrans-49.4-48.6175.5176.70000112.2A51 T52 R57 I58 F59 T60 K62 I65A51-S55 WeakPolarHBondContact O-CB 3.26Å; A51-S55 PolarHBondContact O-N 2.87Å; T52-S55 VanDerWaalsContact O-CB 3.3Å; T52-S55 WeakPolarHBondContact O-CB 3.41Å; T52-S55 PolarHBondContact O-N 3.28Å; S55-R57 PolarHBondContact O-N 2.86Å; S55-I58 PolarHBondContact O-N 3.28Å; S55-F59 WeakPolarHBondContact O-CA 3.44Å; S55-F59 PolarHBondContact O-N 3.23Å; S55-T60 VanDerWaalsContact CA-O 3.29Å; S55-T60 WeakPolarHBondContact CA-O 3.25Å; S55-T60 WeakPolarHBondContact CB-O 3.34Å; S55-T60 PolarHBondContact O-N 3.43Å; S55-T60 PolarHBondContact OG-O 2.89Å; S55-K62 PolarHBondContact OG-N 3.48Å; S55-I65 VanDerWaalsContact CA-CD1 3.41Å
56D90.4Very high91.3Very high105 Ų10548 Ų4856%0.56123%0.234SC*.Hα-helixtrans-61.9-31.6177.6-63.3-23000113T52 L54T52-D56 PolarHBondContact O-N 3.39Å; T52-D56 VanDerWaalsContact O-N 3.07Å; L54-D56 VanDerWaalsContact C-N 3.3Å; L54-D56 PolarHBondContact O-N 3.41Å
57R88.3Confident91.7Very high111 Ų11149 Ų4942%0.41924%0.238SC..Hα-helixtrans-82.7-39.3-177-178.2172-179.9175-1.6112.8W24 I53 L54 S55W24-R57 HydrophobicContact CH2-CB 3.94Å; W24-R57 HydrophobicContact CH2-CG 4.3Å; W24-R57 HydrophobicContact CZ3-CB 4.2Å; W24-R57 VanDerWaalsContact CZ3-CD 3.45Å; W24-R57 HydrophobicContact CZ3-CG 4.44Å; I53-R57 PolarHBondContact O-N 2.92Å; L54-R57 WeakPolarHBondContact O-CA 3.35Å; L54-R57 WeakPolarHBondContact O-CB 3.46Å; L54-R57 PolarHBondContact O-N 3.44Å; S55-R57 PolarHBondContact O-N 2.86Å
58I88.8Confident91.9Very high42 Ų4250.9 Ų50.922%0.21525%0.249CC..Hα-helixtrans-100.13.7-17668.3171.8000112.9Y17 L54 S55 T60 I65Y17-I58 HydrophobicContact CD1-CG2 4.27Å; Y17-I58 HydrophobicContact CE1-CD1 4.04Å; Y17-I58 HydrophobicContact CE1-CG2 3.95Å; Y17-I58 WeakPolarHBondContact OH-CD1 3.49Å; L54-I58 HydrophobicContact CD1-CD1 4.4Å; L54-I58 HydrophobicContact CD1-CG2 3.88Å; L54-I58 HydrophobicContact CG-CD1 4.07Å; L54-I58 HydrophobicContact CG-CG1 4.39Å; L54-I58 WeakPolarHBondContact O-CG1 2.95Å; L54-I58 PolarHBondContact O-N 2.9Å; S55-I58 PolarHBondContact O-N 3.28Å; I58-T60 PolarHBondContact O-N 2.91Å; I58-T60 VanDerWaalsContact O-N 3.14Å; I58-T60 PolarHBondContact O-OG1 3.42Å; I58-I65 HydrophobicContact CD1-CD1 3.77Å; I58-I65 HydrophobicContact CD1-CG1 4.09Å; I58-I65 HydrophobicContact CG1-CD1 4.13Å
59F89.5Confident92.1Very high190 Ų19050.2 Ų50.283%0.83324%0.243SC*.THydrogen-bonded Turntrans51.535.6-178.4-55.4-80.2000113.3S55S55-F59 WeakPolarHBondContact O-CA 3.44Å; S55-F59 PolarHBondContact O-N 3.23Å
60T91.7Very high92.4Very high48 Ų4845.2 Ų45.229%0.29422%0.224SC..  trans-115.1140.8178.8-56.20000108.5S55 I58 K62 I64 I65S55-T60 VanDerWaalsContact CA-O 3.29Å; S55-T60 WeakPolarHBondContact CA-O 3.25Å; S55-T60 WeakPolarHBondContact CB-O 3.34Å; S55-T60 PolarHBondContact O-N 3.43Å; S55-T60 PolarHBondContact OG-O 2.89Å; I58-T60 PolarHBondContact O-N 2.91Å; I58-T60 VanDerWaalsContact O-N 3.14Å; I58-T60 PolarHBondContact O-OG1 3.42Å; T60-K62 PolarHBondContact O-N 3.06Å; T60-I64 HydrophobicContact CG2-CB 3.98Å; T60-I64 HydrophobicContact CG2-CD1 4.35Å; T60-I64 HydrophobicContact CG2-CG2 3.9Å; T60-I65 HydrophobicContact CG2-CG1 4.17Å
61D92.6Very high92.6Very high90 Ų9048 Ų4848%0.48124%0.235SC..  trans-55.8134.3178.8-163.5-35.5000111.3D63 I64 I65D61-D63 PolarHBondContact O-N 3.12Å; D61-D63 VanDerWaalsContact O-N 3.15Å; D61-D63 PolarHBondContact OD1-N 3.28Å; D61-I64 HydrophobicContact CB-CB 4.45Å; D61-I64 HydrophobicContact CB-CD1 3.9Å; D61-I64 HydrophobicContact CB-CG1 4.03Å; D61-I64 WeakPolarHBondContact O-CB 3.33Å; D61-I64 PolarHBondContact O-N 2.8Å; D61-I65 PolarHBondContact O-N 3.32Å; D61-I65 VanDerWaalsContact O-N 3.09Å
62K91.8Very high92.8Very high61 Ų6149 Ų4927%0.26524%0.238SC..Hα-helixtrans-49.6-37.5173.5-179.5-161.3175.9-170.50111.6A51 T52 S55 T60 I65 L66A51-K62 HydrophobicContact CB-CG 4.07Å; T52-K62 WeakPolarHBondContact OG1-CD 3.49Å; T52-K62 WeakPolarHBondContact OG1-CE 3.48Å; S55-K62 PolarHBondContact OG-N 3.48Å; T60-K62 PolarHBondContact O-N 3.06Å; K62-I65 PolarHBondContact O-N 3.2Å; K62-L66 HydrophobicContact CG-CD1 4.19Å; K62-L66 WeakPolarHBondContact O-CG 3.37Å; K62-L66 PolarHBondContact O-N 3.27Å
63D93.8Very high92.9Very high55 Ų5546.6 Ų46.629%0.29422%0.224SC..Hα-helixtrans-70.5-33.9-177.6-69.1-15.7000112.1D61 F67 H142D61-D63 PolarHBondContact O-N 3.12Å; D61-D63 VanDerWaalsContact O-N 3.15Å; D61-D63 PolarHBondContact OD1-N 3.28Å; D63-F67 WeakPolarHBondContact O-CB 3.37Å; D63-F67 PolarHBondContact O-N 3.47Å; D63-H142 HydrophobicContact CB-CB 4.35Å; D63-H142 WeakPolarHBondContact O-CB 3.23Å; D63-H142 IonicContact OD1-CD2 2.71Å; D63-H142 PolarHBondContact OD1-CD2 3.15Å; D63-H142 VanDerWaalsContact OD1-CD2 3.3Å; D63-H142 IonicContact OD1-NE2 3.28Å; D63-H142 IonicContact OD2-CD2 3.62Å; D63-H142 IonicContact OD2-CE1 3.38Å; D63-H142 IonicContact OD2-NE2 2.65Å; D63-H142 PolarHBondContact OD2-NE2 2.85Å
64I93.8Very high93Very high82 Ų8246.3 Ų46.342%0.42122%0.222SC..Hα-helixtrans-68.5-45.2173-63170.7000109.8T60 D61 L66 F67 D68T60-I64 HydrophobicContact CG2-CB 3.98Å; T60-I64 HydrophobicContact CG2-CD1 4.35Å; T60-I64 HydrophobicContact CG2-CG2 3.9Å; D61-I64 HydrophobicContact CB-CB 4.45Å; D61-I64 HydrophobicContact CB-CD1 3.9Å; D61-I64 HydrophobicContact CB-CG1 4.03Å; D61-I64 WeakPolarHBondContact O-CB 3.33Å; D61-I64 PolarHBondContact O-N 2.8Å; I64-L66 PolarHBondContact O-N 3.45Å; I64-F67 WeakPolarHBondContact O-CB 3.47Å; I64-F67 PolarHBondContact O-N 3.49Å; I64-D68 PolarHBondContact O-N 3.2Å
65I93.6Very high93Very high1 Ų149.3 Ų49.31%0.00524%0.236CC..Hα-helixtrans-59.9-46.4177.5-66171.2000110.9A51 L54 S55 I58 T60 D61 K62 F67 D68 I69A51-I65 HydrophobicContact CB-CG2 4.09Å; L54-I65 HydrophobicContact CB-CD1 4.31Å; L54-I65 HydrophobicContact CD2-CD1 4.45Å; L54-I65 HydrophobicContact CD2-CG2 4.04Å; L54-I65 HydrophobicContact CG-CD1 4.13Å; S55-I65 VanDerWaalsContact CA-CD1 3.41Å; I58-I65 HydrophobicContact CD1-CD1 3.77Å; I58-I65 HydrophobicContact CD1-CG1 4.09Å; I58-I65 HydrophobicContact CG1-CD1 4.13Å; T60-I65 HydrophobicContact CG2-CG1 4.17Å; D61-I65 PolarHBondContact O-N 3.32Å; D61-I65 VanDerWaalsContact O-N 3.09Å; K62-I65 PolarHBondContact O-N 3.2Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 3.38Å; I65-D68 PolarHBondContact O-N 3.47Å; I65-I69 HydrophobicContact CG2-CD1 3.71Å; I65-I69 HydrophobicContact CG2-CG1 4.4Å; I65-I69 WeakPolarHBondContact O-CB 3.18Å; I65-I69 VanDerWaalsContact O-CG1 3.24Å; I65-I69 WeakPolarHBondContact O-CG1 3.4Å; I65-I69 PolarHBondContact O-N 2.95Å
66L94.8Very high92.9Very high2 Ų250 Ų501%0.0124%0.236CC..Hα-helixtrans-62.6-40.1177.4-75.7172.5000111.7M47 A51 K62 I64 I69 G70 G139 H142 Y143M47-L66 HydrophobicContact CG-CD2 4.35Å; A51-L66 HydrophobicContact CB-CD2 3.8Å; A51-L66 HydrophobicContact CB-CG 3.89Å; K62-L66 HydrophobicContact CG-CD1 4.19Å; K62-L66 WeakPolarHBondContact O-CG 3.37Å; K62-L66 PolarHBondContact O-N 3.27Å; I64-L66 PolarHBondContact O-N 3.45Å; L66-I69 PolarHBondContact O-N 3.43Å; L66-G70 PolarHBondContact O-N 3.27Å; L66-G139 WeakPolarHBondContact CD1-O 3.29Å; L66-H142 HydrophobicContact CB-CB 4.14Å; L66-Y143 VanDerWaalsContact O-CA 3.32Å; L66-Y143 WeakPolarHBondContact O-CA 3.43Å
67F95.9Very high92.8Very high29 Ų2946.7 Ų46.713%0.12722%0.219CC..Hα-helixtrans-59.5-47.5173.9175.6-100.5000112D63 I64 I65 G70 R71 H142 R145 G146 F149D63-F67 WeakPolarHBondContact O-CB 3.37Å; D63-F67 PolarHBondContact O-N 3.47Å; I64-F67 WeakPolarHBondContact O-CB 3.47Å; I64-F67 PolarHBondContact O-N 3.49Å; I65-F67 VanDerWaalsContact C-N 3.31Å; I65-F67 PolarHBondContact O-N 3.38Å; F67-G70 WeakPolarHBondContact O-CA 3.49Å; F67-G70 PolarHBondContact O-N 2.95Å; F67-R71 HydrophobicContact CE1-CG 4.25Å; F67-R71 HydrophobicContact CZ-CG 4.29Å; F67-R71 WeakPolarHBondContact O-CG 3.37Å; F67-R71 PolarHBondContact O-N 3.44Å; F67-H142 WeakPolarHBondContact CA-O 3.31Å; F67-R145 HydrophobicContact CD2-CB 4.03Å; F67-R145 HydrophobicContact CD2-CG 4.03Å; F67-R145 HydrophobicContact CE2-CB 4.37Å; F67-R145 HydrophobicContact CE2-CG 3.97Å; F67-G146 VanDerWaalsContact CD2-CA 3.44Å; F67-G146 VanDerWaalsContact CD2-N 3.34Å; F67-G146 WeakPolarHBondContact O-CA 3.45Å; F67-F149 HydrophobicContact CE2-CB 4.06Å; F67-F149 HydrophobicContact CE2-CG 4.36Å; F67-F149 HydrophobicContact CZ-CB 4.15Å; F67-F149 HydrophobicContact CZ-CD1 4.11Å; F67-F149 HydrophobicContact CZ-CD2 4.38Å; F67-F149 AromaticContact CZ-CG 3.95Å; F67-F149 HydrophobicContact CZ-CG 3.95Å
68D95.1Very high92.9Very high42 Ų4242.1 Ų42.123%0.22520%0.202CC..Hα-helixtrans-68.2-36.9179.5-74.9-28.2000112.9Y12 I64 I65 G70 R71 Y72Y12-D68 HydrophobicContact CE2-CB 3.74Å; Y12-D68 WeakPolarHBondContact OH-CB 3.08Å; I64-D68 PolarHBondContact O-N 3.2Å; I65-D68 PolarHBondContact O-N 3.47Å; D68-G70 VanDerWaalsContact C-N 3.28Å; D68-G70 PolarHBondContact O-N 3.4Å; D68-R71 PolarHBondContact O-N 2.98Å; D68-R71 IonicContact OD1-NH1 2.76Å; D68-R71 PolarHBondContact OD1-NH1 2.95Å; D68-Y72 WeakPolarHBondContact O-CB 3.48Å; D68-Y72 PolarHBondContact O-N 2.85Å
69I95Very high92.8Very high1 Ų146.9 Ų46.91%0.00522%0.221CC..Hα-helixtrans-62.7-38.6171.8-68.2170.5000110.8A9 Y12 M47 I65 L66 T73 Y143A9-I69 HydrophobicContact CB-CD1 4.49Å; A9-I69 HydrophobicContact CB-CG2 3.77Å; Y12-I69 HydrophobicContact CD1-CD1 4.02Å; Y12-I69 HydrophobicContact CD1-CG1 3.32Å; Y12-I69 HydrophobicContact CE1-CD1 4.16Å; Y12-I69 HydrophobicContact CE1-CG1 3.56Å; Y12-I69 HydrophobicContact CG-CG1 3.86Å; M47-I69 HydrophobicContact CE-CD1 3.37Å; M47-I69 HydrophobicContact CE-CG1 4.45Å; M47-I69 HydrophobicContact CE-CG2 3.94Å; I65-I69 HydrophobicContact CG2-CD1 3.71Å; I65-I69 HydrophobicContact CG2-CG1 4.4Å; I65-I69 WeakPolarHBondContact O-CB 3.18Å; I65-I69 VanDerWaalsContact O-CG1 3.24Å; I65-I69 WeakPolarHBondContact O-CG1 3.4Å; I65-I69 PolarHBondContact O-N 2.95Å; L66-I69 PolarHBondContact O-N 3.43Å; I69-T73 WeakPolarHBondContact O-CB 3.45Å; I69-T73 PolarHBondContact O-N 3.11Å; I69-T73 PolarHBondContact O-OG1 2.77Å; I69-Y143 HydrophobicContact CG2-CD2 4.14Å; I69-Y143 HydrophobicContact CG2-CE2 3.96Å
70G95.1Very high92.6Very high0 Ų041.7 Ų41.70%020%0.203CC..Hα-helixtrans-58.9-49.3172.400000111.8L66 F67 D68 T73 Y143 L147L66-G70 PolarHBondContact O-N 3.27Å; F67-G70 WeakPolarHBondContact O-CA 3.49Å; F67-G70 PolarHBondContact O-N 2.95Å; D68-G70 VanDerWaalsContact C-N 3.28Å; D68-G70 PolarHBondContact O-N 3.4Å; G70-T73 WeakPolarHBondContact O-CB 3.48Å; G70-T73 PolarHBondContact O-N 2.96Å; G70-Y143 VanDerWaalsContact CA-CD2 3.49Å; G70-Y143 WeakPolarHBondContact CA-O 3.26Å; G70-L147 VanDerWaalsContact O-CD2 3.28Å; G70-L147 WeakPolarHBondContact O-CD2 3.39Å
71R95.4Very high92.2Very high61 Ų6142.1 Ų42.123%0.2322%0.216CC..Hα-helixtrans-60.8-50.3177.4-67.4177.458.8-149.2-2.4111.8F67 D68 T73 I74 Q75 G146 F149 E150F67-R71 HydrophobicContact CE1-CG 4.25Å; F67-R71 HydrophobicContact CZ-CG 4.29Å; F67-R71 WeakPolarHBondContact O-CG 3.37Å; F67-R71 PolarHBondContact O-N 3.44Å; D68-R71 PolarHBondContact O-N 2.98Å; D68-R71 IonicContact OD1-NH1 2.76Å; D68-R71 PolarHBondContact OD1-NH1 2.95Å; R71-T73 PolarHBondContact O-N 2.88Å; R71-I74 PolarHBondContact O-N 3.33Å; R71-I74 VanDerWaalsContact O-N 3.1Å; R71-Q75 PolarHBondContact O-N 2.9Å; R71-G146 WeakPolarHBondContact CG-O 3.36Å; R71-F149 HydrophobicContact CG-CD1 4.12Å; R71-E150 HydrophobicContact CB-CB 4.05Å; R71-E150 HydrophobicContact CB-CG 4.27Å; R71-E150 HydrophobicContact CG-CB 4.15Å; R71-E150 IonicContact CZ-OE2 3.34Å; R71-E150 IonicContact NE-OE2 2.74Å; R71-E150 PolarHBondContact NE-OE2 2.99Å; R71-E150 IonicContact NH2-OE2 3.58Å; R71-E150 PolarHBondContact NH2-OE2 2.81Å; R71-E150 WeakPolarHBondContact O-CG 3.34Å
72Y94.8Very high91.9Very high20 Ų2042 Ų428%0.07821%0.212CC..Hα-helixtrans-61.2-32.8179.9-169.8-81.5000111.9H11 Y12 D15 D68 I74 Q75 Y76H11-Y72 HydrophobicContact CB-CE1 3.74Å; Y12-Y72 AromaticContact CD2-CD2 3.97Å; Y12-Y72 HydrophobicContact CD2-CD2 3.97Å; Y12-Y72 AromaticContact CD2-CG 3.86Å; Y12-Y72 HydrophobicContact CD2-CG 3.86Å; Y12-Y72 HydrophobicContact CG-CG 4.27Å; D15-Y72 HydrophobicContact CB-CE2 4.38Å; D15-Y72 VanDerWaalsContact CG-OH 3.32Å; D15-Y72 PolarHBondContact OD2-OH 3.21Å; D68-Y72 WeakPolarHBondContact O-CB 3.48Å; D68-Y72 PolarHBondContact O-N 2.85Å; Y72-I74 VanDerWaalsContact C-N 3.28Å; Y72-I74 PolarHBondContact O-N 3.45Å; Y72-Q75 PolarHBondContact O-N 3.2Å; Y72-Q75 VanDerWaalsContact O-N 3.15Å; Y72-Y76 HydrophobicContact CE1-CD2 4.48Å; Y72-Y76 WeakPolarHBondContact O-CB 3.5Å; Y72-Y76 PolarHBondContact O-N 3.22Å
73T94.3Very high91.6Very high5 Ų541.9 Ų41.93%0.03121%0.212CC..Hα-helixtrans-57.1-41175.5-590000112A8 I69 G70 R71 Y76 L77 Y143 L147A8-T73 HydrophobicContact CB-CG2 3.92Å; I69-T73 WeakPolarHBondContact O-CB 3.45Å; I69-T73 PolarHBondContact O-N 3.11Å; I69-T73 PolarHBondContact O-OG1 2.77Å; G70-T73 WeakPolarHBondContact O-CB 3.48Å; G70-T73 PolarHBondContact O-N 2.96Å; R71-T73 PolarHBondContact O-N 2.88Å; T73-Y76 PolarHBondContact O-N 2.83Å; T73-L77 HydrophobicContact CG2-CD1 4.13Å; T73-L77 HydrophobicContact CG2-CG 4.36Å; T73-L77 WeakPolarHBondContact O-CB 3.48Å; T73-L77 VanDerWaalsContact O-CG 3.24Å; T73-L77 WeakPolarHBondContact O-CG 3.38Å; T73-L77 PolarHBondContact O-N 3.24Å; T73-Y143 WeakPolarHBondContact CG2-OH 3.19Å; T73-Y143 WeakPolarHBondContact OG1-CE2 3.41Å; T73-Y143 PolarHBondContact OG1-OH 2.98Å; T73-Y143 VanDerWaalsContact OG1-OH 3.13Å; T73-L147 HydrophobicContact CG2-CD2 3.99Å
74I93.6Very high91.3Very high8 Ų847.5 Ų47.54%0.04123%0.234CC..Hα-helixtrans-67.1-44.1177.5-60.6-57.2000110.9R71 Y72 Y76 L77 I78 L147 E150 V151R71-I74 PolarHBondContact O-N 3.33Å; R71-I74 VanDerWaalsContact O-N 3.1Å; Y72-I74 VanDerWaalsContact C-N 3.28Å; Y72-I74 PolarHBondContact O-N 3.45Å; I74-Y76 VanDerWaalsContact C-N 3.3Å; I74-Y76 PolarHBondContact O-N 2.92Å; I74-L77 HydrophobicContact CD1-CD1 4.46Å; I74-L77 PolarHBondContact O-N 3.37Å; I74-I78 HydrophobicContact CG2-CD1 3.74Å; I74-I78 HydrophobicContact CG2-CG1 4.45Å; I74-I78 WeakPolarHBondContact O-CB 3.35Å; I74-I78 VanDerWaalsContact O-CG1 3.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.37Å; I74-L147 HydrophobicContact CD1-CB 4.43Å; I74-L147 HydrophobicContact CD1-CD2 3.58Å; I74-L147 HydrophobicContact CG1-CB 4.48Å; I74-L147 HydrophobicContact CG1-CD2 3.82Å; I74-E150 HydrophobicContact CB-CB 4.02Å; I74-E150 HydrophobicContact CB-CG 4.01Å; I74-E150 HydrophobicContact CG1-CB 4.16Å; I74-E150 HydrophobicContact CG2-CB 4.35Å; I74-E150 HydrophobicContact CG2-CG 4.18Å; I74-V151 HydrophobicContact CB-CG2 4.42Å; I74-V151 HydrophobicContact CD1-CG2 3.33Å; I74-V151 HydrophobicContact CG1-CG2 3.64Å; I74-V151 HydrophobicContact CG2-CG2 3.89Å
75Q91.9Very high90.8Very high63 Ų6347.1 Ų47.129%0.29423%0.232SC..Hα-helixtrans-60.6-42.2176.3-62-179-2.300111.5R71 Y72 I78 K79 E150R71-Q75 PolarHBondContact O-N 2.9Å; Y72-Q75 PolarHBondContact O-N 3.2Å; Y72-Q75 VanDerWaalsContact O-N 3.15Å; Q75-I78 PolarHBondContact O-N 2.87Å; Q75-K79 WeakPolarHBondContact O-CB 3.45Å; Q75-K79 VanDerWaalsContact O-CG 3.32Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.43Å; Q75-E150 HydrophobicContact CG-CG 4.12Å; Q75-E150 PolarHBondContact NE2-OE1 2.76Å
76Y90.6Very high90.4Very high34 Ų3448 Ų4813%0.13324%0.237CC..Hα-helixtrans-61.8-46.7175.2175.9-97.3000111.9E7 A8 H11 Y72 T73 I74 I78 K79 N80E7-Y76 WeakPolarHBondContact CG-OH 3.47Å; A8-Y76 HydrophobicContact CB-CD1 3.86Å; A8-Y76 HydrophobicContact CB-CE1 4.38Å; A8-Y76 HydrophobicContact CB-CG 4.2Å; H11-Y76 HydrophobicContact CB-CD2 4.12Å; H11-Y76 HydrophobicContact CB-CE2 4.25Å; H11-Y76 AromaticContact CD2-CE2 3.25Å; H11-Y76 WeakPolarHBondContact CD2-CE2 3.32Å; H11-Y76 AromaticContact CD2-CZ 3.91Å; H11-Y76 AromaticContact CG-CE2 3.75Å; H11-Y76 AromaticContact NE2-CE2 3.69Å; Y72-Y76 HydrophobicContact CE1-CD2 4.48Å; Y72-Y76 WeakPolarHBondContact O-CB 3.5Å; Y72-Y76 PolarHBondContact O-N 3.22Å; T73-Y76 PolarHBondContact O-N 2.83Å; I74-Y76 VanDerWaalsContact C-N 3.3Å; I74-Y76 PolarHBondContact O-N 2.92Å; Y76-I78 VanDerWaalsContact C-N 3.3Å; Y76-I78 PolarHBondContact O-N 2.84Å; Y76-K79 PolarHBondContact O-N 3.14Å; Y76-N80 WeakPolarHBondContact CE1-ND2 3.47Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.35Å; Y76-N80 WeakPolarHBondContact O-CB 3.42Å; Y76-N80 PolarHBondContact O-N 2.79Å; Y76-N80 PolarHBondContact O-ND2 3.05Å; Y76-N80 VanDerWaalsContact O-ND2 3.13Å; Y76-N80 PolarHBondContact OH-ND2 2.94Å
77L89Confident90Very high36 Ų3653.1 Ų53.119%0.18826%0.256CS..Hα-helixtrans-60.7-41176.2-73.3174.4000111.4T73 I74 N80 G81 F82T73-L77 HydrophobicContact CG2-CD1 4.13Å; T73-L77 HydrophobicContact CG2-CG 4.36Å; T73-L77 WeakPolarHBondContact O-CB 3.48Å; T73-L77 VanDerWaalsContact O-CG 3.24Å; T73-L77 WeakPolarHBondContact O-CG 3.38Å; T73-L77 PolarHBondContact O-N 3.24Å; I74-L77 HydrophobicContact CD1-CD1 4.46Å; I74-L77 PolarHBondContact O-N 3.37Å; L77-N80 CarbonylContact O-C 3.57Å; L77-N80 PolarHBondContact O-N 3.05Å; L77-G81 PolarHBondContact O-N 2.77Å; L77-F82 HydrophobicContact CB-CB 4.1Å; L77-F82 HydrophobicContact CB-CD2 4.3Å; L77-F82 HydrophobicContact CD2-CD2 3.7Å; L77-F82 HydrophobicContact CD2-CE2 4.1Å; L77-F82 HydrophobicContact CD2-CG 4.19Å; L77-F82 VanDerWaalsContact O-CB 3.28Å; L77-F82 WeakPolarHBondContact O-CB 3.34Å; L77-F82 WeakPolarHBondContact O-CD2 3.48Å; L77-F82 PolarHBondContact O-N 3.37Å
78I89.1Confident89.6Confident15 Ų1557.6 Ų57.68%0.07729%0.286CS..Iπ-helixtrans-66.5-48.2178.4-70.7171000111.2I74 Q75 Y76 N80 G81 E83 L86 Y154I74-I78 HydrophobicContact CG2-CD1 3.74Å; I74-I78 HydrophobicContact CG2-CG1 4.45Å; I74-I78 WeakPolarHBondContact O-CB 3.35Å; I74-I78 VanDerWaalsContact O-CG1 3.24Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.37Å; Q75-I78 PolarHBondContact O-N 2.87Å; Y76-I78 VanDerWaalsContact C-N 3.3Å; Y76-I78 PolarHBondContact O-N 2.84Å; I78-N80 PolarHBondContact O-N 2.97Å; I78-G81 PolarHBondContact O-N 3.01Å; I78-E83 HydrophobicContact CB-CB 4.45Å; I78-E83 HydrophobicContact CG1-CB 4.22Å; I78-E83 HydrophobicContact CG1-CG 4.33Å; I78-E83 HydrophobicContact CG2-CB 4.09Å; I78-E83 HydrophobicContact CG2-CG 4.17Å; I78-L86 HydrophobicContact CG1-CD1 4.24Å; I78-Y154 HydrophobicContact CD1-CD1 3.34Å; I78-Y154 HydrophobicContact CD1-CE1 3.65Å; I78-Y154 HydrophobicContact CD1-CG 3.84Å; I78-Y154 HydrophobicContact CG2-CE1 3.78Å
79K87.8Confident89.1Confident141 Ų14156.6 Ų56.661%0.61328%0.28SS*.Iπ-helixtrans-54.7-34.7174.2-75176.3-179.2-179.90112.1Q75 Y76 G81Q75-K79 WeakPolarHBondContact O-CB 3.45Å; Q75-K79 VanDerWaalsContact O-CG 3.32Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.43Å; Y76-K79 PolarHBondContact O-N 3.14Å; K79-G81 VanDerWaalsContact C-N 3.31Å; K79-G81 PolarHBondContact O-N 3.01Å
80N85.9Confident88.5Confident82 Ų8257.1 Ų57.144%0.43929%0.285SS..Iπ-helixtrans-89.317.4178.4-67.8-35.6000114.5Y76 L77 I78 F82Y76-N80 WeakPolarHBondContact CE1-ND2 3.47Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.35Å; Y76-N80 WeakPolarHBondContact O-CB 3.42Å; Y76-N80 PolarHBondContact O-N 2.79Å; Y76-N80 PolarHBondContact O-ND2 3.05Å; Y76-N80 VanDerWaalsContact O-ND2 3.13Å; Y76-N80 PolarHBondContact OH-ND2 2.94Å; L77-N80 CarbonylContact O-C 3.57Å; L77-N80 PolarHBondContact O-N 3.05Å; I78-N80 PolarHBondContact O-N 2.97Å; N80-F82 HydrophobicContact CB-CD2 4.18Å; N80-F82 HydrophobicContact CB-CE2 4.23Å
81G83.5Confident88.1Confident57 Ų5766.3 Ų66.359%0.58833%0.326SS*.Iπ-helixtrans84.87.5170.600000115.8L77 I78 K79 E83L77-G81 PolarHBondContact O-N 2.77Å; I78-G81 PolarHBondContact O-N 3.01Å; K79-G81 VanDerWaalsContact C-N 3.31Å; K79-G81 PolarHBondContact O-N 3.01Å; G81-E83 PolarHBondContact O-N 3.36Å
82F84.7Confident87.7Confident86 Ų8664.1 Ų64.138%0.37732%0.319SS..Iπ-helixtrans-811.1176-64.3-81.4000113.7L77 N80 K84 L85 L86L77-F82 HydrophobicContact CB-CB 4.1Å; L77-F82 HydrophobicContact CB-CD2 4.3Å; L77-F82 HydrophobicContact CD2-CD2 3.7Å; L77-F82 HydrophobicContact CD2-CE2 4.1Å; L77-F82 HydrophobicContact CD2-CG 4.19Å; L77-F82 VanDerWaalsContact O-CB 3.28Å; L77-F82 WeakPolarHBondContact O-CB 3.34Å; L77-F82 WeakPolarHBondContact O-CD2 3.48Å; L77-F82 PolarHBondContact O-N 3.37Å; N80-F82 HydrophobicContact CB-CD2 4.18Å; N80-F82 HydrophobicContact CB-CE2 4.23Å; F82-K84 VanDerWaalsContact C-N 3.35Å; F82-K84 PolarHBondContact O-N 3.22Å; F82-L85 HydrophobicContact CD1-CD2 3.98Å; F82-L85 WeakPolarHBondContact O-CB 3.29Å; F82-L85 PolarHBondContact O-N 3.49Å; F82-L85 VanDerWaalsContact O-N 3.13Å; F82-L86 PolarHBondContact O-N 2.92Å
83E86.6Confident87.5Confident60 Ų6063.3 Ų63.328%0.2832%0.316SS..Hα-helixtrans-55.8-47.6179.1-167.1-167.8160.300112.4I78 G81 L85 L86 R87I78-E83 HydrophobicContact CB-CB 4.45Å; I78-E83 HydrophobicContact CG1-CB 4.22Å; I78-E83 HydrophobicContact CG1-CG 4.33Å; I78-E83 HydrophobicContact CG2-CB 4.09Å; I78-E83 HydrophobicContact CG2-CG 4.17Å; G81-E83 PolarHBondContact O-N 3.36Å; E83-L85 VanDerWaalsContact C-N 3.26Å; E83-L85 PolarHBondContact O-N 3.13Å; E83-L86 PolarHBondContact O-N 3.35Å; E83-R87 WeakPolarHBondContact O-CG 3.23Å; E83-R87 PolarHBondContact O-N 2.64Å; E83-R87 IonicContact OE1-CZ 2.7Å; E83-R87 IonicContact OE1-NE 2.77Å; E83-R87 PolarHBondContact OE1-NE 3.29Å; E83-R87 IonicContact OE1-NH2 2.73Å; E83-R87 PolarHBondContact OE1-NH2 3.26Å
84K86.2Confident87.3Confident172 Ų17265 Ų6575%0.74832%0.323SS*.Hα-helixtrans-59.8-39.4178.9-67.2-178.5-179177.50111.4F82 R87 V88F82-K84 VanDerWaalsContact C-N 3.35Å; F82-K84 PolarHBondContact O-N 3.22Å; K84-R87 PolarHBondContact O-N 3.45Å; K84-V88 VanDerWaalsContact O-CG2 3.25Å; K84-V88 WeakPolarHBondContact O-CG2 3.39Å; K84-V88 PolarHBondContact O-N 3.46Å
85L83.3Confident86.9Confident74 Ų7466.1 Ų66.139%0.38733%0.329SS..Hα-helixtrans-63.8-46.1178.1179.463.6000110.9F82 E83 R87 V88F82-L85 HydrophobicContact CD1-CD2 3.98Å; F82-L85 WeakPolarHBondContact O-CB 3.29Å; F82-L85 PolarHBondContact O-N 3.49Å; F82-L85 VanDerWaalsContact O-N 3.13Å; E83-L85 VanDerWaalsContact C-N 3.26Å; E83-L85 PolarHBondContact O-N 3.13Å; L85-R87 PolarHBondContact O-N 2.95Å; L85-V88 PolarHBondContact O-N 2.61Å
86L85.2Confident86.9Confident21 Ų2163.4 Ų63.411%0.1132%0.316CS..Hα-helixtrans-65.5-37.2179.5-65.3171.7000112.2I78 F82 E83 V88 L89 I155I78-L86 HydrophobicContact CG1-CD1 4.24Å; F82-L86 PolarHBondContact O-N 2.92Å; E83-L86 PolarHBondContact O-N 3.35Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 2.95Å; L86-L89 HydrophobicContact CD2-CD1 4.22Å; L86-L89 PolarHBondContact O-N 3.06Å; L86-I155 HydrophobicContact CB-CD1 3.21Å; L86-I155 HydrophobicContact CD1-CD1 3.78Å; L86-I155 HydrophobicContact CG-CD1 4.09Å
87R87.6Confident86.9Confident109 Ų10961.9 Ų61.941%0.41131%0.31SS..Hα-helixtrans-65.3-31.4175.5-73.9-178.1-174.6-67.2-2113.5E83 K84 L85 L89 I155E83-R87 WeakPolarHBondContact O-CG 3.23Å; E83-R87 PolarHBondContact O-N 2.64Å; E83-R87 IonicContact OE1-CZ 2.7Å; E83-R87 IonicContact OE1-NE 2.77Å; E83-R87 PolarHBondContact OE1-NE 3.29Å; E83-R87 IonicContact OE1-NH2 2.73Å; E83-R87 PolarHBondContact OE1-NH2 3.26Å; K84-R87 PolarHBondContact O-N 3.45Å; L85-R87 PolarHBondContact O-N 2.95Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 2.98Å; R87-I155 HydrophobicContact CG-CG2 3.86Å; R87-I155 PolarHBondContact NH1-O 2.91Å; R87-I155 VanDerWaalsContact NH1-O 3.1Å
88V86.5Confident86.8Confident122 Ų12262.6 Ų62.674%0.73931%0.314SS*.Hα-helixtrans-74.5-19.2-180169.20000112.5K84 L85 L86 G90K84-V88 VanDerWaalsContact O-CG2 3.25Å; K84-V88 WeakPolarHBondContact O-CG2 3.39Å; K84-V88 PolarHBondContact O-N 3.46Å; L85-V88 PolarHBondContact O-N 2.61Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 2.95Å; V88-G90 VanDerWaalsContact C-N 3.25Å; V88-G90 PolarHBondContact O-N 3.36Å
89L85.2Confident86.7Confident22 Ų2264 Ų6412%0.11533%0.326CS..THydrogen-bonded Turntrans-66.8-23.5-177.3-63.4-178.4000114.2L86 R87 L96 S99 H103L86-L89 HydrophobicContact CD2-CD1 4.22Å; L86-L89 PolarHBondContact O-N 3.06Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 2.98Å; L89-L96 HydrophobicContact CB-CD1 3.54Å; L89-L96 HydrophobicContact CD1-CD1 3.6Å; L89-L96 HydrophobicContact CG-CD1 4.18Å; L89-S99 VanDerWaalsContact O-CB 3.27Å; L89-S99 WeakPolarHBondContact O-CB 3.45Å; L89-S99 PolarHBondContact O-OG 3.23Å; L89-S99 VanDerWaalsContact O-OG 3.07Å; L89-H103 HydrophobicContact CD1-CB 4.48Å; L89-H103 HydrophobicContact CD2-CB 3.83Å; L89-H103 WeakPolarHBondContact CD2-ND1 3.34Å
90G82.8Confident86.8Confident11 Ų1158.3 Ų58.311%0.11330%0.301CS..  trans-174.3140.5179.400000112.6V88 T92 Y156V88-G90 VanDerWaalsContact C-N 3.25Å; V88-G90 PolarHBondContact O-N 3.36Å; G90-T92 PolarHBondContact O-N 3.38Å; G90-Y156 WeakPolarHBondContact O-CE1 3.08Å; G90-Y156 PolarHBondContact O-OH 3.06Å
91K85.2Confident86.8Confident194 Ų19455 Ų5584%0.84328%0.283SS*.SBendtrans-66.4-33.8174-67.1-178.1179.6179.10111.1D95K91-D95 PolarHBondContact N-OD2 3.28Å
92T88.1Confident86.7Confident14 Ų1453.3 Ų53.39%0.08626%0.261CS..SBendtrans-118.6162.117870.50000110.4G90 K94 D95 L96 K189G90-T92 PolarHBondContact O-N 3.38Å; T92-K94 PolarHBondContact O-N 3.49Å; T92-D95 PolarHBondContact N-OD2 3.36Å; T92-D95 WeakPolarHBondContact O-CB 3.38Å; T92-D95 PolarHBondContact O-N 2.8Å; T92-D95 VanDerWaalsContact O-N 3.14Å; T92-D95 PolarHBondContact OG1-N 2.98Å; T92-D95 VanDerWaalsContact OG1-N 3.12Å; T92-D95 PolarHBondContact OG1-OD1 2.79Å; T92-D95 PolarHBondContact OG1-OD2 2.9Å; T92-L96 PolarHBondContact O-N 3Å; T92-K189 VanDerWaalsContact CB-O 3.28Å; T92-K189 WeakPolarHBondContact CB-O 3.36Å; T92-K189 HydrophobicContact CG2-CB 4.13Å; T92-K189 WeakPolarHBondContact CG2-O 3.29Å
93F90.6Very high86.7Confident4 Ų450.7 Ų50.72%0.01825%0.25CS..Hα-helixtrans-62.2-32.4175.8-177-107.6000112L96 L97 A152 Y156 L158 L160 L180 F188F93-L96 HydrophobicContact CD2-CD2 3.85Å; F93-L96 HydrophobicContact CE2-CD2 3.86Å; F93-L96 WeakPolarHBondContact O-CB 3.08Å; F93-L96 PolarHBondContact O-N 2.84Å; F93-L97 HydrophobicContact CD1-CD1 4.07Å; F93-L97 HydrophobicContact CD1-CG 4.41Å; F93-L97 HydrophobicContact CE1-CD1 3.7Å; F93-L97 HydrophobicContact CE1-CD2 4.36Å; F93-L97 HydrophobicContact CE1-CG 4.1Å; F93-L97 HydrophobicContact CZ-CD1 4.3Å; F93-L97 HydrophobicContact CZ-CD2 4.12Å; F93-L97 HydrophobicContact CZ-CG 4.29Å; F93-L97 WeakPolarHBondContact O-CG 3.49Å; F93-L97 PolarHBondContact O-N 3.29Å; F93-L97 VanDerWaalsContact O-N 3.1Å; F93-A152 HydrophobicContact CD2-CB 3.93Å; F93-A152 HydrophobicContact CE2-CB 3.59Å; F93-A152 HydrophobicContact CZ-CB 3.97Å; F93-Y156 HydrophobicContact CB-CD1 4.4Å; F93-Y156 HydrophobicContact CB-CD2 4.12Å; F93-Y156 HydrophobicContact CB-CG 4.05Å; F93-Y156 AromaticContact CD2-CD2 3.8Å; F93-Y156 HydrophobicContact CD2-CD2 3.8Å; F93-Y156 HydrophobicContact CD2-CE2 4.14Å; F93-Y156 HydrophobicContact CD2-CG 4.5Å; F93-Y156 HydrophobicContact CG-CD2 4.46Å; F93-L158 HydrophobicContact CB-CD1 3.64Å; F93-L158 HydrophobicContact CG-CD1 4.13Å; F93-L160 HydrophobicContact CD1-CD1 4.41Å; F93-L160 HydrophobicContact CE1-CD1 3.65Å; F93-L160 HydrophobicContact CE2-CD1 4.35Å; F93-L160 HydrophobicContact CZ-CD1 3.61Å; F93-L180 HydrophobicContact CE1-CD2 3.72Å; F93-L180 HydrophobicContact CZ-CD2 4.01Å; F93-F188 HydrophobicContact CD1-CD1 4.15Å; F93-F188 AromaticContact CD1-CE1 3.62Å; F93-F188 HydrophobicContact CD1-CE1 3.62Å; F93-F188 HydrophobicContact CE1-CE1 4.22Å
94K88.7Confident86.5Confident41 Ų4149.4 Ų49.418%0.17824%0.244CC..Hα-helixtrans-64.5-44.3173-175.1172.4173.9171.70111.3T92 L96 L97 L98 I121 S124 I129 E190T92-K94 PolarHBondContact O-N 3.49Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.23Å; K94-L97 PolarHBondContact O-N 3.49Å; K94-L98 HydrophobicContact CG-CD1 4.23Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.48Å; K94-L98 PolarHBondContact O-N 2.88Å; K94-I121 HydrophobicContact CG-CD1 4.12Å; K94-S124 WeakPolarHBondContact CE-OG 3.47Å; K94-S124 PolarHBondContact NZ-OG 2.91Å; K94-I129 HydrophobicContact CB-CD1 4.45Å; K94-E190 IonicContact NZ-OE1 3.43Å; K94-E190 PolarHBondContact NZ-OE1 2.87Å
95D87.1Confident85.8Confident31 Ų3143.4 Ų43.417%0.16622%0.218CC..Hα-helixtrans-61.3-38.8176.3-58-33.1000111.9K91 T92 L98 S99 S191K91-D95 PolarHBondContact N-OD2 3.28Å; T92-D95 PolarHBondContact N-OD2 3.36Å; T92-D95 WeakPolarHBondContact O-CB 3.38Å; T92-D95 PolarHBondContact O-N 2.8Å; T92-D95 VanDerWaalsContact O-N 3.14Å; T92-D95 PolarHBondContact OG1-N 2.98Å; T92-D95 VanDerWaalsContact OG1-N 3.12Å; T92-D95 PolarHBondContact OG1-OD1 2.79Å; T92-D95 PolarHBondContact OG1-OD2 2.9Å; D95-L98 PolarHBondContact O-N 2.84Å; D95-S99 VanDerWaalsContact O-CB 3.32Å; D95-S99 WeakPolarHBondContact O-CB 3.21Å; D95-S99 PolarHBondContact O-N 3.04Å; D95-S99 PolarHBondContact O-OG 2.98Å; D95-S191 PolarHBondContact OD1-OG 2.62Å
96L90.8Very high85.4Confident5 Ų545.6 Ų45.63%0.02622%0.222CC..Hα-helixtrans-56.8-55.8172.8170.583.9000110.1L89 T92 F93 K94 L98 S99 L100 V151 Y156L89-L96 HydrophobicContact CB-CD1 3.54Å; L89-L96 HydrophobicContact CD1-CD1 3.6Å; L89-L96 HydrophobicContact CG-CD1 4.18Å; T92-L96 PolarHBondContact O-N 3Å; F93-L96 HydrophobicContact CD2-CD2 3.85Å; F93-L96 HydrophobicContact CE2-CD2 3.86Å; F93-L96 WeakPolarHBondContact O-CB 3.08Å; F93-L96 PolarHBondContact O-N 2.84Å; K94-L96 VanDerWaalsContact C-N 3.3Å; K94-L96 PolarHBondContact O-N 3.23Å; L96-L98 VanDerWaalsContact C-N 3.27Å; L96-L98 PolarHBondContact O-N 2.77Å; L96-S99 CarbonylContact O-C 3.6Å; L96-S99 WeakPolarHBondContact O-CA 3.32Å; L96-S99 PolarHBondContact O-N 3.1Å; L96-L100 HydrophobicContact CD1-CD2 4.21Å; L96-L100 HydrophobicContact CG-CD2 4.29Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 2.79Å; L96-V151 HydrophobicContact CD2-CG1 3.44Å; L96-V151 VanDerWaalsContact CD2-CG1 3.44Å; L96-Y156 HydrophobicContact CB-CE2 4.2Å; L96-Y156 HydrophobicContact CD2-CE2 3.97Å
97L91Very high84.9Confident2 Ų247 Ų471%0.0123%0.229CC..Hα-helixtrans-56.7-42.2-177.2-68.6178.6000111.9F93 K94 S99 L100 I121 I129 L131 L148 L180F93-L97 HydrophobicContact CD1-CD1 4.07Å; F93-L97 HydrophobicContact CD1-CG 4.41Å; F93-L97 HydrophobicContact CE1-CD1 3.7Å; F93-L97 HydrophobicContact CE1-CD2 4.36Å; F93-L97 HydrophobicContact CE1-CG 4.1Å; F93-L97 HydrophobicContact CZ-CD1 4.3Å; F93-L97 HydrophobicContact CZ-CD2 4.12Å; F93-L97 HydrophobicContact CZ-CG 4.29Å; F93-L97 WeakPolarHBondContact O-CG 3.49Å; F93-L97 PolarHBondContact O-N 3.29Å; F93-L97 VanDerWaalsContact O-N 3.1Å; K94-L97 PolarHBondContact O-N 3.49Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 3.22Å; L97-L100 HydrophobicContact CD2-CD1 3.92Å; L97-L100 PolarHBondContact O-N 2.94Å; L97-I121 HydrophobicContact CB-CD1 4.11Å; L97-I121 HydrophobicContact CD1-CD1 4.38Å; L97-I129 HydrophobicContact CD1-CD1 4.21Å; L97-I129 HydrophobicContact CD1-CG2 4.17Å; L97-L131 HydrophobicContact CD1-CD1 4.35Å; L97-L131 HydrophobicContact CD2-CD2 3.99Å; L97-L148 HydrophobicContact CD2-CD2 3.7Å; L97-L180 HydrophobicContact CD1-CD2 4.47Å
98L86.9Confident84.1Confident52 Ų5247.3 Ų47.327%0.27223%0.23SC..Hα-helixtrans-64.1-32.8176.2-66.5169.3000112.1K94 D95 L96 I121 S272K94-L98 HydrophobicContact CG-CD1 4.23Å; K94-L98 VanDerWaalsContact O-CG 3.3Å; K94-L98 WeakPolarHBondContact O-CG 3.48Å; K94-L98 PolarHBondContact O-N 2.88Å; D95-L98 PolarHBondContact O-N 2.84Å; L96-L98 VanDerWaalsContact C-N 3.27Å; L96-L98 PolarHBondContact O-N 2.77Å; L98-I121 HydrophobicContact CD2-CD1 3.87Å; L98-I121 HydrophobicContact CD2-CG1 4.5Å; L98-I121 HydrophobicContact CG-CD1 4.05Å; L98-S272 VanDerWaalsContact CD2-OG 3.3Å; L98-S272 WeakPolarHBondContact CD2-OG 3.28Å
99S86.7Confident83.3Confident45 Ų4548.8 Ų48.832%0.31522%0.224SC..Hα-helixtrans-87.6-14.3-177-57.90000114.3L89 D95 L96 L97 N101 D102 H103L89-S99 VanDerWaalsContact O-CB 3.27Å; L89-S99 WeakPolarHBondContact O-CB 3.45Å; L89-S99 PolarHBondContact O-OG 3.23Å; L89-S99 VanDerWaalsContact O-OG 3.07Å; D95-S99 VanDerWaalsContact O-CB 3.32Å; D95-S99 WeakPolarHBondContact O-CB 3.21Å; D95-S99 PolarHBondContact O-N 3.04Å; D95-S99 PolarHBondContact O-OG 2.98Å; L96-S99 CarbonylContact O-C 3.6Å; L96-S99 WeakPolarHBondContact O-CA 3.32Å; L96-S99 PolarHBondContact O-N 3.1Å; L97-S99 VanDerWaalsContact C-N 3.27Å; L97-S99 PolarHBondContact O-N 3.22Å; S99-N101 VanDerWaalsContact C-N 3.32Å; S99-N101 PolarHBondContact O-N 3.01Å; S99-D102 PolarHBondContact O-N 3.22Å; S99-H103 WeakPolarHBondContact O-CB 3.48Å; S99-H103 PolarHBondContact O-N 3.21Å
100L89.1Confident82.7Confident20 Ų2051.7 Ų51.711%0.10525%0.246CC..Hα-helixtrans-56.6-42.9-176-73.7179.5000112.9L96 L97 D102 H103 H104 F119L96-L100 HydrophobicContact CD1-CD2 4.21Å; L96-L100 HydrophobicContact CG-CD2 4.29Å; L96-L100 WeakPolarHBondContact O-CG 3.29Å; L96-L100 PolarHBondContact O-N 2.79Å; L97-L100 HydrophobicContact CD2-CD1 3.92Å; L97-L100 PolarHBondContact O-N 2.94Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 2.61Å; L100-H103 PolarHBondContact O-N 2.88Å; L100-H104 WeakPolarHBondContact O-CB 3.21Å; L100-H104 VanDerWaalsContact O-CG 3.3Å; L100-H104 PolarHBondContact O-N 3.26Å; L100-F119 HydrophobicContact CB-CD2 3.8Å; L100-F119 HydrophobicContact CB-CE2 4.34Å; L100-F119 HydrophobicContact CB-CG 4.43Å; L100-F119 HydrophobicContact CD1-CB 4.47Å; L100-F119 HydrophobicContact CD1-CD1 4.21Å; L100-F119 HydrophobicContact CD1-CD2 3.7Å; L100-F119 HydrophobicContact CD1-CE1 4.34Å; L100-F119 HydrophobicContact CD1-CE2 3.87Å; L100-F119 HydrophobicContact CD1-CG 3.87Å; L100-F119 HydrophobicContact CD1-CZ 4.18Å; L100-F119 HydrophobicContact CG-CD2 4.4Å
101N85.8Confident82.4Confident12 Ų1252.8 Ų52.86%0.06425%0.247CC..Hα-helixtrans-61.1-39.3-179-70.6-20000112.2S99 K105 S118 F119 S273S99-N101 VanDerWaalsContact C-N 3.32Å; S99-N101 PolarHBondContact O-N 3.01Å; N101-K105 WeakPolarHBondContact O-CG 3.17Å; N101-K105 PolarHBondContact O-N 3.3Å; N101-S118 VanDerWaalsContact OD1-CA 3.3Å; N101-S118 WeakPolarHBondContact OD1-CA 3.48Å; N101-F119 PolarHBondContact ND2-O 3.44Å; N101-F119 PolarHBondContact OD1-N 3.14Å; N101-S273 PolarHBondContact ND2-OG 2.85Å
102D82.8Confident81.9Confident23 Ų2349.9 Ų49.912%0.12324%0.236CC..Hα-helixtrans-81.2-35.9179.9-75-19.8000111.6S99 L100 H104 K105 Y106 T274S99-D102 PolarHBondContact O-N 3.22Å; L100-D102 VanDerWaalsContact C-N 3.29Å; L100-D102 PolarHBondContact O-N 2.61Å; D102-H104 VanDerWaalsContact C-N 3.35Å; D102-H104 PolarHBondContact O-N 3.38Å; D102-K105 WeakPolarHBondContact O-CB 2.99Å; D102-K105 PolarHBondContact O-N 2.99Å; D102-K105 VanDerWaalsContact O-N 3.1Å; D102-K105 IonicContact OD1-NZ 2.83Å; D102-K105 PolarHBondContact OD1-NZ 2.83Å; D102-Y106 VanDerWaalsContact O-CD2 3.24Å; D102-Y106 WeakPolarHBondContact O-CD2 3.24Å; D102-Y106 PolarHBondContact O-N 2.89Å; D102-T274 VanDerWaalsContact CG-OG1 3.25Å; D102-T274 WeakPolarHBondContact OD1-CB 3.49Å; D102-T274 PolarHBondContact OD1-N 2.94Å; D102-T274 PolarHBondContact OD1-OG1 3.37Å; D102-T274 PolarHBondContact OD2-N 3.25Å; D102-T274 PolarHBondContact OD2-OG1 3.49Å
103H83.3Confident81.5Confident30 Ų3057.7 Ų57.714%0.13926%0.264CS..Hα-helixtrans-57.1-48171.4-177.161.5000112.3L89 S99 L100 K105 Y106 L107L89-H103 HydrophobicContact CD1-CB 4.48Å; L89-H103 HydrophobicContact CD2-CB 3.83Å; L89-H103 WeakPolarHBondContact CD2-ND1 3.34Å; S99-H103 WeakPolarHBondContact O-CB 3.48Å; S99-H103 PolarHBondContact O-N 3.21Å; L100-H103 PolarHBondContact O-N 2.88Å; H103-K105 PolarHBondContact O-N 2.97Å; H103-Y106 WeakPolarHBondContact O-CA 3.24Å; H103-Y106 WeakPolarHBondContact O-CB 3.49Å; H103-Y106 PolarHBondContact O-N 3.18Å; H103-L107 PolarHBondContact O-N 2.92Å
104H83.2Confident81Confident33 Ų3359.1 Ų59.115%0.15327%0.271CS..Hα-helixtrans-59.5-28.5176.6-79.7177.9000113.9L100 D102 L107 P116 P117 F119L100-H104 WeakPolarHBondContact O-CB 3.21Å; L100-H104 VanDerWaalsContact O-CG 3.3Å; L100-H104 PolarHBondContact O-N 3.26Å; D102-H104 VanDerWaalsContact C-N 3.35Å; D102-H104 PolarHBondContact O-N 3.38Å; H104-L107 PolarHBondContact O-N 2.9Å; H104-P116 HydrophobicContact CB-CB 3.5Å; H104-P116 HydrophobicContact CB-CG 4Å; H104-P117 PolarHBondContact ND1-O 3.3Å; H104-F119 AromaticContact CE1-CE2 3.76Å
105K72.4Confident80.7Confident46 Ų4663.2 Ų63.220%0.229%0.289CS..Hα-helixtrans-69.7-36.6172.9-67.2167-164.8163.10111.1N101 D102 H103 L107 R108 T274N101-K105 WeakPolarHBondContact O-CG 3.17Å; N101-K105 PolarHBondContact O-N 3.3Å; D102-K105 WeakPolarHBondContact O-CB 2.99Å; D102-K105 PolarHBondContact O-N 2.99Å; D102-K105 VanDerWaalsContact O-N 3.1Å; D102-K105 IonicContact OD1-NZ 2.83Å; D102-K105 PolarHBondContact OD1-NZ 2.83Å; H103-K105 PolarHBondContact O-N 2.97Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 2.9Å; K105-R108 VanDerWaalsContact O-CB 3.29Å; K105-R108 WeakPolarHBondContact O-CB 3.37Å; K105-R108 PolarHBondContact O-N 2.89Å; K105-T274 PolarHBondContact NZ-O 3Å
106Y74.4Confident80.7Confident121 Ų12163.4 Ų63.448%0.47529%0.292SS..Hα-helixtrans-68.2-26.8177.2-61.7-50.8000113.1D102 H103 R108 Y109D102-Y106 VanDerWaalsContact O-CD2 3.24Å; D102-Y106 WeakPolarHBondContact O-CD2 3.24Å; D102-Y106 PolarHBondContact O-N 2.89Å; H103-Y106 WeakPolarHBondContact O-CA 3.24Å; H103-Y106 WeakPolarHBondContact O-CB 3.49Å; H103-Y106 PolarHBondContact O-N 3.18Å; Y106-R108 PolarHBondContact O-N 3.2Å; Y106-R108 VanDerWaalsContact O-N 3.12Å; Y106-Y109 HydrophobicContact CD1-CD2 4.5Å; Y106-Y109 AromaticContact CD1-CE2 3.82Å; Y106-Y109 HydrophobicContact CD1-CE2 3.82Å; Y106-Y109 WeakPolarHBondContact O-CD2 3.39Å; Y106-Y109 PolarHBondContact O-N 2.87Å; Y106-Y109 VanDerWaalsContact O-N 3.14Å
107L75.4Confident80.6Confident50 Ų5064.5 Ų64.526%0.26230%0.299SS..G310 helixtrans-60.3-21.1172.5-65177.9000113.2H103 H104 K105 Y109 S110 Y111 I114H103-L107 PolarHBondContact O-N 2.92Å; H104-L107 PolarHBondContact O-N 2.9Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 2.9Å; L107-Y109 PolarHBondContact O-N 2.85Å; L107-S110 PolarHBondContact O-N 3.23Å; L107-S110 VanDerWaalsContact O-N 3.17Å; L107-Y111 WeakPolarHBondContact O-CB 3.31Å; L107-Y111 PolarHBondContact O-N 2.92Å; L107-I114 HydrophobicContact CB-CD1 4.06Å; L107-I114 HydrophobicContact CD1-CD1 4.16Å
108R70.6Confident80.5Confident116 Ų11666.4 Ų66.444%0.43831%0.313SS..G310 helixtrans-60.7-24.8175.3-73.4175.6175.1-150.51.5113.7K105 Y106 S110 Y111 H112 I114K105-R108 VanDerWaalsContact O-CB 3.29Å; K105-R108 WeakPolarHBondContact O-CB 3.37Å; K105-R108 PolarHBondContact O-N 2.89Å; Y106-R108 PolarHBondContact O-N 3.2Å; Y106-R108 VanDerWaalsContact O-N 3.12Å; R108-S110 VanDerWaalsContact C-N 3.33Å; R108-Y111 WeakPolarHBondContact CA-O 3.17Å; R108-Y111 CarbonylContact O-C 3.16Å; R108-Y111 PolarHBondContact O-N 3.42Å; R108-H112 VanDerWaalsContact O-CA 3.25Å; R108-H112 WeakPolarHBondContact O-CA 3.28Å; R108-H112 PolarHBondContact O-N 3.05Å; R108-I114 HydrophobicContact CB-CG2 4.3Å; R108-I114 HydrophobicContact CG-CG2 3.43Å; R108-I114 VanDerWaalsContact CG-CG2 3.43Å
109Y69.9Low80.7Confident153 Ų15364.6 Ų64.660%0.630%0.303SS*.G310 helixtrans-65.4-38.6176.5-65.8-57.1000112Y106 L107Y106-Y109 HydrophobicContact CD1-CD2 4.5Å; Y106-Y109 AromaticContact CD1-CE2 3.82Å; Y106-Y109 HydrophobicContact CD1-CE2 3.82Å; Y106-Y109 WeakPolarHBondContact O-CD2 3.39Å; Y106-Y109 PolarHBondContact O-N 2.87Å; Y106-Y109 VanDerWaalsContact O-N 3.14Å; L107-Y109 PolarHBondContact O-N 2.85Å
110S71.4Confident80.8Confident83 Ų8362.7 Ų62.758%0.5829%0.289SS*.THydrogen-bonded Turntrans-87.3-28.8175.3-54.40000112.1L107 R108L107-S110 PolarHBondContact O-N 3.23Å; L107-S110 VanDerWaalsContact O-N 3.17Å; R108-S110 VanDerWaalsContact C-N 3.33Å
111Y77.6Confident80.8Confident34 Ų3463.1 Ų63.113%0.13329%0.291CS..  trans-132.473.1-170.4-61.1-70.2000111.2Y2 I4 L107 R108 R113 I114Y2-Y111 AromaticContact CD1-CD1 3.54Å; Y2-Y111 HydrophobicContact CD1-CD1 3.54Å; Y2-Y111 HydrophobicContact CD1-CE1 4.13Å; Y2-Y111 AromaticContact CD2-CD1 3.9Å; Y2-Y111 HydrophobicContact CD2-CD1 3.9Å; Y2-Y111 HydrophobicContact CD2-CG 4.14Å; Y2-Y111 AromaticContact CE1-CD1 3.77Å; Y2-Y111 HydrophobicContact CE1-CD1 3.77Å; Y2-Y111 HydrophobicContact CE2-CD1 4.13Å; Y2-Y111 HydrophobicContact CE2-CG 4.24Å; Y2-Y111 AromaticContact CG-CD1 3.58Å; Y2-Y111 HydrophobicContact CG-CD1 3.58Å; Y2-Y111 HydrophobicContact CG-CE1 4.2Å; Y2-Y111 HydrophobicContact CG-CG 4.27Å; I4-Y111 VanDerWaalsContact CD1-OH 3.28Å; I4-Y111 WeakPolarHBondContact CD1-OH 3.33Å; L107-Y111 WeakPolarHBondContact O-CB 3.31Å; L107-Y111 PolarHBondContact O-N 2.92Å; R108-Y111 WeakPolarHBondContact CA-O 3.17Å; R108-Y111 CarbonylContact O-C 3.16Å; R108-Y111 PolarHBondContact O-N 3.42Å; Y111-R113 VanDerWaalsContact C-N 3.27Å; Y111-R113 PolarHBondContact O-N 3.48Å; Y111-R113 VanDerWaalsContact O-N 3.07Å; Y111-I114 VanDerWaalsContact O-CB 3.28Å; Y111-I114 WeakPolarHBondContact O-CB 3.47Å; Y111-I114 WeakPolarHBondContact O-CG2 3.36Å; Y111-I114 PolarHBondContact O-N 3.06Å
112H73.7Confident80.9Confident133 Ų13365.5 Ų65.562%0.61630%0.304SS*.THydrogen-bonded Turntrans-51.8-34.3-170.265.8-76.8000115.9Y2 R108Y2-H112 PolarHBondContact OH-N 3.47Å; R108-H112 VanDerWaalsContact O-CA 3.25Å; R108-H112 WeakPolarHBondContact O-CA 3.28Å; R108-H112 PolarHBondContact O-N 3.05Å
113R79.7Confident81.1Confident178 Ų17867.3 Ų67.367%0.67232%0.318SS*.THydrogen-bonded Turntrans-93.512.5179.1-77.3167.2-172.3-146.70.6113.8Y2 I41 Y111 K115Y2-R113 PolarHBondContact OH-N 3.28Å; I41-R113 HydrophobicContact CD1-CB 3.78Å; I41-R113 HydrophobicContact CD1-CG 4.28Å; Y111-R113 VanDerWaalsContact C-N 3.27Å; Y111-R113 PolarHBondContact O-N 3.48Å; Y111-R113 VanDerWaalsContact O-N 3.07Å; R113-K115 PolarHBondContact O-N 3.09Å
114I81.4Confident81.3Confident34 Ų3467.8 Ų67.817%0.17433%0.325CS..  trans-65.9127.6-176.8-164.1172.6000110.6Y2 L107 R108 Y111 P116Y2-I114 HydrophobicContact CD2-CB 4.29Å; Y2-I114 HydrophobicContact CD2-CG1 4.49Å; Y2-I114 HydrophobicContact CE2-CB 3.99Å; L107-I114 HydrophobicContact CB-CD1 4.06Å; L107-I114 HydrophobicContact CD1-CD1 4.16Å; R108-I114 HydrophobicContact CB-CG2 4.3Å; R108-I114 HydrophobicContact CG-CG2 3.43Å; R108-I114 VanDerWaalsContact CG-CG2 3.43Å; Y111-I114 VanDerWaalsContact O-CB 3.28Å; Y111-I114 WeakPolarHBondContact O-CB 3.47Å; Y111-I114 WeakPolarHBondContact O-CG2 3.36Å; Y111-I114 PolarHBondContact O-N 3.06Å; I114-P116 WeakPolarHBondContact O-CD 3.46Å
115K82.3Confident81.5Confident127 Ų12769.3 Ų69.355%0.55234%0.337SS*.  trans-105.386.5171-65.2178.7-176.9174.60107.5R113R113-K115 PolarHBondContact O-N 3.09Å
116P86.2Confident82.1Confident35 Ų3571.5 Ų71.523%0.22736%0.356CS..  trans-75.4156.9-175.330.9-35.3000112H104 I114H104-P116 HydrophobicContact CB-CB 3.5Å; H104-P116 HydrophobicContact CB-CG 4Å; I114-P116 WeakPolarHBondContact O-CD 3.46Å
117P89.7Confident82.7Confident27 Ų2768.8 Ų68.818%0.17536%0.355CS..  trans-72.5164.3166.933.2-35.2000111.4H104 F119 Y133 T134H104-P117 PolarHBondContact ND1-O 3.3Å; P117-F119 HydrophobicContact CB-CE2 4.41Å; P117-F119 HydrophobicContact CG-CE2 3.94Å; P117-F119 HydrophobicContact CG-CZ 4.33Å; P117-Y133 HydrophobicContact CB-CD2 3.95Å; P117-Y133 HydrophobicContact CB-CE2 3.23Å; P117-Y133 HydrophobicContact CG-CE2 3.85Å; P117-T134 CarbonylContact C-O 3.55Å; P117-T134 VanDerWaalsContact CA-O 3.3Å; P117-T134 WeakPolarHBondContact CA-O 3.28Å
118S88Confident83.5Confident42 Ų4267.8 Ų67.829%0.29435%0.351SS..EExtended strand (participates in β ladder)trans-116.8144.1174.2-58.50000110.9N101 Y133 T134N101-S118 VanDerWaalsContact OD1-CA 3.3Å; N101-S118 WeakPolarHBondContact OD1-CA 3.48Å; S118-Y133 WeakPolarHBondContact O-CA 3.35Å; S118-T134 PolarHBondContact N-O 3.32Å; S118-T134 PolarHBondContact O-N 3.35Å
119F90.5Very high84.6Confident15 Ų1562.3 Ų62.37%0.06633%0.331CS..EExtended strand (participates in β ladder)trans-123.6132.1-179.4-65.5-87000109.9L100 N101 H104 P117 L131 E132 Y133 T144L100-F119 HydrophobicContact CB-CD2 3.8Å; L100-F119 HydrophobicContact CB-CE2 4.34Å; L100-F119 HydrophobicContact CB-CG 4.43Å; L100-F119 HydrophobicContact CD1-CB 4.47Å; L100-F119 HydrophobicContact CD1-CD1 4.21Å; L100-F119 HydrophobicContact CD1-CD2 3.7Å; L100-F119 HydrophobicContact CD1-CE1 4.34Å; L100-F119 HydrophobicContact CD1-CE2 3.87Å; L100-F119 HydrophobicContact CD1-CG 3.87Å; L100-F119 HydrophobicContact CD1-CZ 4.18Å; L100-F119 HydrophobicContact CG-CD2 4.4Å; N101-F119 PolarHBondContact ND2-O 3.44Å; N101-F119 PolarHBondContact OD1-N 3.14Å; H104-F119 AromaticContact CE1-CE2 3.76Å; P117-F119 HydrophobicContact CB-CE2 4.41Å; P117-F119 HydrophobicContact CG-CE2 3.94Å; P117-F119 HydrophobicContact CG-CZ 4.33Å; F119-L131 HydrophobicContact CB-CD1 4.23Å; F119-L131 HydrophobicContact CD1-CD2 3.88Å; F119-L131 HydrophobicContact CD1-CG 4.3Å; F119-L131 HydrophobicContact CE1-CD2 4.46Å; F119-E132 CarbonylContact C-O 3.48Å; F119-E132 WeakPolarHBondContact CA-O 3.42Å; F119-Y133 HydrophobicContact CD1-CD2 4.16Å; F119-Y133 AromaticContact CE1-CD2 3.58Å; F119-Y133 HydrophobicContact CE1-CD2 3.58Å; F119-Y133 HydrophobicContact CE1-CE2 4.31Å; F119-Y133 HydrophobicContact CE1-CG 4.45Å; F119-Y133 HydrophobicContact CE2-CD2 4.5Å; F119-Y133 AromaticContact CZ-CD2 3.78Å; F119-Y133 HydrophobicContact CZ-CD2 3.78Å; F119-Y133 HydrophobicContact CZ-CE2 4.07Å; F119-T144 HydrophobicContact CE1-CG2 3.71Å; F119-T144 HydrophobicContact CZ-CG2 3.8Å
120V89Confident85.7Confident5 Ų556.2 Ų56.23%0.0331%0.309CS..EExtended strand (participates in β ladder)trans-136128.3179.3-174.80000109.2L122 L131 E132 M269 F270V120-L122 HydrophobicContact CG1-CD2 4.48Å; V120-L122 PolarHBondContact O-N 2.77Å; V120-L131 CarbonylContact O-C 3.49Å; V120-L131 WeakPolarHBondContact O-CA 3.5Å; V120-E132 HydrophobicContact CB-CB 4.28Å; V120-E132 PolarHBondContact N-O 3.14Å; V120-E132 PolarHBondContact O-N 2.7Å; V120-M269 HydrophobicContact CG1-CB 3.86Å; V120-F270 HydrophobicContact CG2-CD1 3.83Å; V120-F270 HydrophobicContact CG2-CE1 3.14Å; V120-F270 HydrophobicContact CG2-CE2 4.07Å; V120-F270 HydrophobicContact CG2-CZ 3.29Å
121I89.1Confident86.8Confident28 Ų2852.2 Ų52.214%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-81.7115.5173.3-63.7178.7000107.6K94 L97 L98 S123 I129 L131K94-I121 HydrophobicContact CG-CD1 4.12Å; L97-I121 HydrophobicContact CB-CD1 4.11Å; L97-I121 HydrophobicContact CD1-CD1 4.38Å; L98-I121 HydrophobicContact CD2-CD1 3.87Å; L98-I121 HydrophobicContact CD2-CG1 4.5Å; L98-I121 HydrophobicContact CG-CD1 4.05Å; I121-S123 WeakPolarHBondContact CG2-O 3.45Å; I121-I129 HydrophobicContact CD1-CG2 4.38Å; I121-I129 HydrophobicContact CG1-CG2 4.2Å; I121-I129 HydrophobicContact CG2-CG2 4.1Å; I121-L131 HydrophobicContact CG1-CD1 3.93Å
122L88.7Confident87.6Confident62 Ų6251.4 Ų51.433%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-79.2-41.9176.7-56.7-177000111V120 V130 E132 V177 M269V120-L122 HydrophobicContact CG1-CD2 4.48Å; V120-L122 PolarHBondContact O-N 2.77Å; L122-V130 HydrophobicContact CB-CB 4.34Å; L122-V130 HydrophobicContact CB-CG1 4.12Å; L122-V130 HydrophobicContact CD1-CG1 3.97Å; L122-V130 HydrophobicContact CG-CG1 4.39Å; L122-V130 PolarHBondContact N-O 2.74Å; L122-E132 HydrophobicContact CD1-CB 4.15Å; L122-E132 HydrophobicContact CD2-CB 3.84Å; L122-E132 HydrophobicContact CG-CB 3.97Å; L122-V177 HydrophobicContact CD1-CG1 3.99Å; L122-V177 HydrophobicContact CD1-CG2 4.29Å; L122-M269 HydrophobicContact CB-CE 4.15Å; L122-M269 HydrophobicContact CD2-CE 3.33Å; L122-M269 HydrophobicContact CD2-SD 4.29Å; L122-M269 HydrophobicContact CG-CE 4.33Å
123S87.6Confident88.5Confident61 Ų6145.3 Ų45.343%0.42725%0.251SS..EExtended strand (participates in β ladder)trans-152.3153.2175.962.90000110.4I121 V130I121-S123 WeakPolarHBondContact CG2-O 3.45Å; S123-V130 PolarHBondContact O-N 2.91Å; S123-V130 WeakPolarHBondContact OG-CB 3.28Å; S123-V130 VanDerWaalsContact OG-CG2 3.26Å; S123-V130 WeakPolarHBondContact OG-CG2 3.45Å
124S86.8Confident89.1Confident41 Ų4138.1 Ų38.129%0.28723%0.226SC..EExtended strand (participates in β ladder)trans-142.7124.8178.8171.50000109.3K94K94-S124 WeakPolarHBondContact CE-OG 3.47Å; K94-S124 PolarHBondContact NZ-OG 2.91Å
125T86.8Confident89.5Confident65 Ų6536.8 Ų36.840%0.39922%0.22SC..  trans-114.6170.7167.372.80000108.7S127 C128T125-S127 PolarHBondContact O-N 2.99Å; T125-C128 PolarHBondContact N-O 3.18Å; T125-C128 PolarHBondContact O-N 2.87Å; T125-C128 WeakPolarHBondContact OG1-CB 3.46Å; T125-C128 PolarHBondContact OG1-N 3.13Å; T125-C128 PolarHBondContact OG1-O 3.31Å
126P85.3Confident89.8Confident92 Ų9236 Ų3660%0.59722%0.216SC*.SBendtrans-59.2-26.4178.3-26.836.3000114.2S187 F188P126-S187 CarbonylContact O-C 3.59Å; P126-S187 VanDerWaalsContact O-CA 3.26Å; P126-S187 WeakPolarHBondContact O-CA 3.45Å; P126-F188 WeakPolarHBondContact O-CD2 3.27Å; P126-F188 PolarHBondContact O-N 3.23Å
127S87.3Confident89.9Confident64 Ų6436 Ų3645%0.44821%0.212SC..SBendtrans-113.1-10.5-177.456.30000114.3T125 L182T125-S127 PolarHBondContact O-N 2.99Å; S127-L182 PolarHBondContact O-N 3.13Å
128C91.9Very high89.7Confident29 Ų2936.9 Ų36.920%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-143.1133.4-171.8-1740000112.3T125 T179 L180T125-C128 PolarHBondContact N-O 3.18Å; T125-C128 PolarHBondContact O-N 2.87Å; T125-C128 WeakPolarHBondContact OG1-CB 3.46Å; T125-C128 PolarHBondContact OG1-N 3.13Å; T125-C128 PolarHBondContact OG1-O 3.31Å; C128-T179 WeakPolarHBondContact SG-CG2 3.33Å; C128-L180 CarbonylContact C-O 3.57Å; C128-L180 VanDerWaalsContact CA-O 3.32Å; C128-L180 WeakPolarHBondContact CA-O 3.41Å
129I93.3Very high89.6Confident0 Ų036.5 Ų36.50%022%0.22CC..EExtended strand (participates in β ladder)trans-120.9128.9171.4-66.3171000108.7K94 L97 I121 L180 F188K94-I129 HydrophobicContact CB-CD1 4.45Å; L97-I129 HydrophobicContact CD1-CD1 4.21Å; L97-I129 HydrophobicContact CD1-CG2 4.17Å; I121-I129 HydrophobicContact CD1-CG2 4.38Å; I121-I129 HydrophobicContact CG1-CG2 4.2Å; I121-I129 HydrophobicContact CG2-CG2 4.1Å; I129-L180 HydrophobicContact CB-CB 4.33Å; I129-L180 HydrophobicContact CB-CD1 4.49Å; I129-L180 HydrophobicContact CG2-CD1 4.37Å; I129-L180 PolarHBondContact N-O 2.55Å; I129-L180 WeakPolarHBondContact O-CD1 3.3Å; I129-L180 PolarHBondContact O-N 3.44Å; I129-F188 HydrophobicContact CB-CE2 4.29Å; I129-F188 HydrophobicContact CB-CZ 4.48Å; I129-F188 HydrophobicContact CD1-CD1 3.83Å; I129-F188 HydrophobicContact CD1-CD2 3.78Å; I129-F188 HydrophobicContact CD1-CE1 3.8Å; I129-F188 HydrophobicContact CD1-CE2 3.75Å; I129-F188 HydrophobicContact CD1-CG 3.82Å; I129-F188 HydrophobicContact CD1-CZ 3.75Å; I129-F188 HydrophobicContact CG1-CD2 3.77Å; I129-F188 HydrophobicContact CG1-CE2 3.6Å; I129-F188 HydrophobicContact CG1-CG 4.32Å; I129-F188 HydrophobicContact CG1-CZ 4Å
130V94.5Very high89.6Confident25 Ų2536.3 Ų36.315%0.15222%0.219CC..EExtended strand (participates in β ladder)trans-98.5119170.1-175.80000108.4L122 S123 V177 F178L122-V130 HydrophobicContact CB-CB 4.34Å; L122-V130 HydrophobicContact CB-CG1 4.12Å; L122-V130 HydrophobicContact CD1-CG1 3.97Å; L122-V130 HydrophobicContact CG-CG1 4.39Å; L122-V130 PolarHBondContact N-O 2.74Å; S123-V130 PolarHBondContact O-N 2.91Å; S123-V130 WeakPolarHBondContact OG-CB 3.28Å; S123-V130 VanDerWaalsContact OG-CG2 3.26Å; S123-V130 WeakPolarHBondContact OG-CG2 3.45Å; V130-V177 HydrophobicContact CG1-CG1 3.55Å; V130-F178 CarbonylContact C-O 3.56Å; V130-F178 WeakPolarHBondContact CA-O 3.41Å
131L94.5Very high89.9Confident0 Ų036.6 Ų36.60%022%0.22CC..EExtended strand (participates in β ladder)trans-121.1120.3-171.1-173.972.2000110.7L97 F119 V120 I121 L148 F178 L180L97-L131 HydrophobicContact CD1-CD1 4.35Å; L97-L131 HydrophobicContact CD2-CD2 3.99Å; F119-L131 HydrophobicContact CB-CD1 4.23Å; F119-L131 HydrophobicContact CD1-CD2 3.88Å; F119-L131 HydrophobicContact CD1-CG 4.3Å; F119-L131 HydrophobicContact CE1-CD2 4.46Å; V120-L131 CarbonylContact O-C 3.49Å; V120-L131 WeakPolarHBondContact O-CA 3.5Å; I121-L131 HydrophobicContact CG1-CD1 3.93Å; L131-L148 HydrophobicContact CD2-CD1 3.8Å; L131-L148 HydrophobicContact CD2-CD2 4.48Å; L131-F178 HydrophobicContact CB-CB 4.43Å; L131-F178 PolarHBondContact N-O 3.5Å; L131-F178 PolarHBondContact O-N 3.41Å; L131-L180 HydrophobicContact CB-CD1 3.44Å; L131-L180 VanDerWaalsContact CB-CD1 3.44Å; L131-L180 HydrophobicContact CD2-CD1 4.1Å; L131-L180 HydrophobicContact CD2-CD2 4.45Å; L131-L180 HydrophobicContact CG-CD1 4.43Å
132E93.2Very high90.2Very high16 Ų1636 Ų368%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-86.4119.3169.7-176.2-175.172.800109.4F119 V120 L122 R266F119-E132 CarbonylContact C-O 3.48Å; F119-E132 WeakPolarHBondContact CA-O 3.42Å; V120-E132 HydrophobicContact CB-CB 4.28Å; V120-E132 PolarHBondContact N-O 3.14Å; V120-E132 PolarHBondContact O-N 2.7Å; L122-E132 HydrophobicContact CD1-CB 4.15Å; L122-E132 HydrophobicContact CD2-CB 3.84Å; L122-E132 HydrophobicContact CG-CB 3.97Å; E132-R266 IonicContact OE1-NH1 3.78Å; E132-R266 PolarHBondContact OE1-NH1 2.84Å; E132-R266 IonicContact OE2-NH1 3.94Å; E132-R266 PolarHBondContact OE2-NH1 3.25Å; E132-R266 IonicContact OE2-NH2 2.63Å
133Y93.9Very high90.5Very high6 Ų633.7 Ų33.72%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-104.1124.9172.4165.2-103.1000109.5P117 S118 F119 T135 T144 R175 T176 F178P117-Y133 HydrophobicContact CB-CD2 3.95Å; P117-Y133 HydrophobicContact CB-CE2 3.23Å; P117-Y133 HydrophobicContact CG-CE2 3.85Å; S118-Y133 WeakPolarHBondContact O-CA 3.35Å; F119-Y133 HydrophobicContact CD1-CD2 4.16Å; F119-Y133 AromaticContact CE1-CD2 3.58Å; F119-Y133 HydrophobicContact CE1-CD2 3.58Å; F119-Y133 HydrophobicContact CE1-CE2 4.31Å; F119-Y133 HydrophobicContact CE1-CG 4.45Å; F119-Y133 HydrophobicContact CE2-CD2 4.5Å; F119-Y133 AromaticContact CZ-CD2 3.78Å; F119-Y133 HydrophobicContact CZ-CD2 3.78Å; F119-Y133 HydrophobicContact CZ-CE2 4.07Å; Y133-T135 HydrophobicContact CD1-CG2 4.4Å; Y133-T135 HydrophobicContact CE1-CG2 3.45Å; Y133-T135 VanDerWaalsContact CE1-CG2 3.45Å; Y133-T135 WeakPolarHBondContact OH-CB 3.44Å; Y133-T135 WeakPolarHBondContact OH-CG2 3.33Å; Y133-T144 HydrophobicContact CD2-CG2 3.86Å; Y133-T144 HydrophobicContact CE2-CG2 3.82Å; Y133-T144 WeakPolarHBondContact CE2-OG1 3.25Å; Y133-T144 HydrophobicContact CG-CG2 4.41Å; Y133-T144 PolarHBondContact OH-OG1 3.46Å; Y133-R175 CarbonylContact O-C 3.57Å; Y133-R175 WeakPolarHBondContact O-CA 3.3Å; Y133-T176 PolarHBondContact N-O 2.7Å; Y133-T176 PolarHBondContact O-N 3.47Å; Y133-F178 VanDerWaalsContact CB-CE2 3.43Å; Y133-F178 HydrophobicContact CD1-CE2 4.2Å; Y133-F178 AromaticContact CG-CE2 3.93Å; Y133-F178 HydrophobicContact CG-CE2 3.93Å
134T90.6Very high90.8Very high26 Ų2631 Ų3116%0.1619%0.185CC..EExtended strand (participates in β ladder)trans-124.2130.3-179-61.40000110.6P117 S118 I173 Y174 R175P117-T134 CarbonylContact C-O 3.55Å; P117-T134 VanDerWaalsContact CA-O 3.3Å; P117-T134 WeakPolarHBondContact CA-O 3.28Å; S118-T134 PolarHBondContact N-O 3.32Å; S118-T134 PolarHBondContact O-N 3.35Å; T134-I173 HydrophobicContact CG2-CG2 3.17Å; T134-Y174 CarbonylContact C-O 3.58Å; T134-Y174 WeakPolarHBondContact CA-O 3.33Å; T134-R175 HydrophobicContact CG2-CG 4.13Å
135T90.9Very high91.3Very high7 Ų731.9 Ų31.94%0.04318%0.182CC..EExtended strand (participates in β ladder)trans-145.8156.9-177.2-173.10000112.2Y133 R137 Y174Y133-T135 HydrophobicContact CD1-CG2 4.4Å; Y133-T135 HydrophobicContact CE1-CG2 3.45Å; Y133-T135 VanDerWaalsContact CE1-CG2 3.45Å; Y133-T135 WeakPolarHBondContact OH-CB 3.44Å; Y133-T135 WeakPolarHBondContact OH-CG2 3.33Å; T135-R137 VanDerWaalsContact C-N 3.31Å; T135-R137 WeakPolarHBondContact CG2-O 3Å; T135-R137 PolarHBondContact OG1-N 3.45Å; T135-R137 VanDerWaalsContact OG1-N 3.13Å; T135-Y174 PolarHBondContact N-O 2.97Å; T135-Y174 PolarHBondContact O-N 3.13Å
136K88.1Confident91.7Very high110 Ų11028.8 Ų28.848%0.47816%0.163SC..SBendtrans-88.2-1.7168.2-64.4-171.9176.6-170.70112.7P172K136-P172 WeakPolarHBondContact CA-O 3.47Å
137R88.3Confident92.2Very high35 Ų3526.2 Ų26.213%0.13214%0.144CC..SBendtrans-106.5114.1-172.8-62.5170174.9-73.1-26110.2M1 D44 T135 Y140M1-R137 VanDerWaalsContact CB-NH1 3.27Å; D44-R137 VanDerWaalsContact CG-CZ 3.49Å; D44-R137 IonicContact OD1-CZ 3.87Å; D44-R137 IonicContact OD1-NH1 3.41Å; D44-R137 PolarHBondContact OD1-NH1 3.42Å; D44-R137 IonicContact OD1-NH2 3.33Å; D44-R137 PolarHBondContact OD1-NH2 2.85Å; D44-R137 IonicContact OD2-CZ 3.26Å; D44-R137 IonicContact OD2-NH1 2.84Å; D44-R137 PolarHBondContact OD2-NH1 3.47Å; D44-R137 IonicContact OD2-NH2 2.77Å; D44-R137 PolarHBondContact OD2-NH2 2.79Å; T135-R137 VanDerWaalsContact C-N 3.31Å; T135-R137 WeakPolarHBondContact CG2-O 3Å; T135-R137 PolarHBondContact OG1-N 3.45Å; T135-R137 VanDerWaalsContact OG1-N 3.13Å; R137-Y140 HydrophobicContact CB-CD2 3.58Å; R137-Y140 HydrophobicContact CB-CE2 3.88Å; R137-Y140 HydrophobicContact CB-CG 4.36Å
138P85.7Confident92.6Very high45 Ų4523.7 Ų23.729%0.29213%0.126SC..THydrogen-bonded Turntrans-67.4142.9179.723.9-30.1000112.1Y140 Y174P138-Y140 VanDerWaalsContact O-CD2 3.25Å; P138-Y140 WeakPolarHBondContact O-CD2 3.24Å; P138-Y140 PolarHBondContact O-N 3.38Å; P138-Y174 HydrophobicContact CB-CD1 4.45Å; P138-Y174 HydrophobicContact CB-CD2 4.25Å; P138-Y174 HydrophobicContact CB-CE1 3.95Å; P138-Y174 HydrophobicContact CB-CE2 3.72Å; P138-Y174 HydrophobicContact CG-CE2 4.08Å
139G86.3Confident92.8Very high34 Ų3424.8 Ų24.835%0.35113%0.127SC..THydrogen-bonded Turntrans74.517168.600000116.5L66L66-G139 WeakPolarHBondContact CD1-O 3.29Å
140Y91Very high92.9Very high11 Ų1125 Ų254%0.04313%0.129CC..  trans-97.28.4174.5-74.4-99.4000113.2M1 D44 M47 R137 P138 Y143 T144M1-Y140 HydrophobicContact SD-CE1 3.79Å; M1-Y140 PolarHBondContact SD-OH 3.16Å; D44-Y140 PolarHBondContact O-OH 2.82Å; M47-Y140 HydrophobicContact CB-CE1 4.06Å; M47-Y140 VanDerWaalsContact CB-OH 3.28Å; M47-Y140 WeakPolarHBondContact CB-OH 3.46Å; M47-Y140 HydrophobicContact CG-CE1 4.05Å; R137-Y140 HydrophobicContact CB-CD2 3.58Å; R137-Y140 HydrophobicContact CB-CE2 3.88Å; R137-Y140 HydrophobicContact CB-CG 4.36Å; P138-Y140 VanDerWaalsContact O-CD2 3.25Å; P138-Y140 WeakPolarHBondContact O-CD2 3.24Å; P138-Y140 PolarHBondContact O-N 3.38Å; Y140-Y143 AromaticContact CD1-CD1 3.99Å; Y140-Y143 HydrophobicContact CD1-CD1 3.99Å; Y140-Y143 HydrophobicContact CD1-CG 4.28Å; Y140-T144 WeakPolarHBondContact O-CB 3.23Å; Y140-T144 PolarHBondContact O-N 2.95Å; Y140-T144 PolarHBondContact O-OG1 2.98Å
141N93.7Very high92.9Very high11 Ų1124.4 Ų24.46%0.05912%0.124CC..Hα-helixtrans-56.3-51.3174.857.5-19.5000111.5T144 R145 E167 T176 F178N141-T144 PolarHBondContact O-N 2.73Å; N141-R145 PolarHBondContact O-N 3.09Å; N141-E167 VanDerWaalsContact ND2-CD 3.28Å; N141-E167 PolarHBondContact ND2-OE1 2.69Å; N141-E167 PolarHBondContact ND2-OE2 2.81Å; N141-T176 HydrophobicContact CB-CG2 4.19Å; N141-F178 HydrophobicContact CB-CZ 4.41Å
142H95Very high92.8Very high17 Ų1724.4 Ų24.48%0.07912%0.124CC..Hα-helixtrans-69.9-36.7179.6-66-76.9000113.2D63 L66 F67 T144 R145 G146 I164D63-H142 HydrophobicContact CB-CB 4.35Å; D63-H142 WeakPolarHBondContact O-CB 3.23Å; D63-H142 IonicContact OD1-CD2 2.71Å; D63-H142 PolarHBondContact OD1-CD2 3.15Å; D63-H142 VanDerWaalsContact OD1-CD2 3.3Å; D63-H142 IonicContact OD1-NE2 3.28Å; D63-H142 IonicContact OD2-CD2 3.62Å; D63-H142 IonicContact OD2-CE1 3.38Å; D63-H142 IonicContact OD2-NE2 2.65Å; D63-H142 PolarHBondContact OD2-NE2 2.85Å; L66-H142 HydrophobicContact CB-CB 4.14Å; F67-H142 WeakPolarHBondContact CA-O 3.31Å; H142-T144 VanDerWaalsContact C-N 3.34Å; H142-T144 PolarHBondContact O-N 3.42Å; H142-R145 PolarHBondContact ND1-NH1 3.21Å; H142-R145 VanDerWaalsContact O-CB 3.32Å; H142-R145 WeakPolarHBondContact O-CB 3.19Å; H142-R145 PolarHBondContact O-N 2.74Å; H142-G146 PolarHBondContact O-N 2.87Å; H142-I164 WeakPolarHBondContact CE1-CD1 3.24Å
143Y95.2Very high92.8Very high13 Ų1327.9 Ų27.95%0.05114%0.139CC..Hα-helixtrans-58.4-46.6170.4174.3-100000111.8L66 I69 G70 T73 Y140 R145 G146 L147L66-Y143 VanDerWaalsContact O-CA 3.32Å; L66-Y143 WeakPolarHBondContact O-CA 3.43Å; I69-Y143 HydrophobicContact CG2-CD2 4.14Å; I69-Y143 HydrophobicContact CG2-CE2 3.96Å; G70-Y143 VanDerWaalsContact CA-CD2 3.49Å; G70-Y143 WeakPolarHBondContact CA-O 3.26Å; T73-Y143 WeakPolarHBondContact CG2-OH 3.19Å; T73-Y143 WeakPolarHBondContact OG1-CE2 3.41Å; T73-Y143 PolarHBondContact OG1-OH 2.98Å; T73-Y143 VanDerWaalsContact OG1-OH 3.13Å; Y140-Y143 AromaticContact CD1-CD1 3.99Å; Y140-Y143 HydrophobicContact CD1-CD1 3.99Å; Y140-Y143 HydrophobicContact CD1-CG 4.28Å; Y143-R145 VanDerWaalsContact C-N 3.33Å; Y143-R145 PolarHBondContact O-N 3.15Å; Y143-G146 PolarHBondContact O-N 2.9Å; Y143-G146 VanDerWaalsContact O-N 3.16Å; Y143-L147 HydrophobicContact CD1-CD1 3.97Å; Y143-L147 HydrophobicContact CD1-CG 4.44Å; Y143-L147 HydrophobicContact CE1-CD1 3.44Å; Y143-L147 VanDerWaalsContact CE1-CD1 3.44Å; Y143-L147 HydrophobicContact CE1-CD2 4.43Å; Y143-L147 HydrophobicContact CE1-CG 4.03Å; Y143-L147 PolarHBondContact O-N 2.88Å
144T95.2Very high92.7Very high5 Ų532.8 Ų32.83%0.03116%0.159CC..Hα-helixtrans-64.9-38.3176.8-54.90000111.6F119 Y133 Y140 N141 H142 G146 L147 L148 F178F119-T144 HydrophobicContact CE1-CG2 3.71Å; F119-T144 HydrophobicContact CZ-CG2 3.8Å; Y133-T144 HydrophobicContact CD2-CG2 3.86Å; Y133-T144 HydrophobicContact CE2-CG2 3.82Å; Y133-T144 WeakPolarHBondContact CE2-OG1 3.25Å; Y133-T144 HydrophobicContact CG-CG2 4.41Å; Y133-T144 PolarHBondContact OH-OG1 3.46Å; Y140-T144 WeakPolarHBondContact O-CB 3.23Å; Y140-T144 PolarHBondContact O-N 2.95Å; Y140-T144 PolarHBondContact O-OG1 2.98Å; N141-T144 PolarHBondContact O-N 2.73Å; H142-T144 VanDerWaalsContact C-N 3.34Å; H142-T144 PolarHBondContact O-N 3.42Å; T144-G146 VanDerWaalsContact C-N 3.27Å; T144-G146 PolarHBondContact O-N 3.33Å; T144-L147 WeakPolarHBondContact O-CB 3.36Å; T144-L147 PolarHBondContact O-N 3.2Å; T144-L148 HydrophobicContact CG2-CD1 4.24Å; T144-L148 HydrophobicContact CG2-CG 4.41Å; T144-L148 WeakPolarHBondContact O-CG 3.25Å; T144-L148 PolarHBondContact O-N 2.97Å; T144-F178 HydrophobicContact CG2-CE2 4.45Å
145R96.2Very high92.7Very high58 Ų5832.1 Ų32.122%0.21915%0.154CC..Hα-helixtrans-56.2-43.4172.4-166-175.683.3-170.54111.2F67 N141 H142 Y143 L148 F149 I162 F178F67-R145 HydrophobicContact CD2-CB 4.03Å; F67-R145 HydrophobicContact CD2-CG 4.03Å; F67-R145 HydrophobicContact CE2-CB 4.37Å; F67-R145 HydrophobicContact CE2-CG 3.97Å; N141-R145 PolarHBondContact O-N 3.09Å; H142-R145 PolarHBondContact ND1-NH1 3.21Å; H142-R145 VanDerWaalsContact O-CB 3.32Å; H142-R145 WeakPolarHBondContact O-CB 3.19Å; H142-R145 PolarHBondContact O-N 2.74Å; Y143-R145 VanDerWaalsContact C-N 3.33Å; Y143-R145 PolarHBondContact O-N 3.15Å; R145-L148 PolarHBondContact O-N 3.35Å; R145-F149 VanDerWaalsContact O-CB 3.31Å; R145-F149 WeakPolarHBondContact O-CB 3.25Å; R145-F149 PolarHBondContact O-N 3.15Å; R145-I162 HydrophobicContact CG-CB 3.81Å; R145-I162 HydrophobicContact CG-CD1 4.32Å; R145-I162 HydrophobicContact CG-CG2 3.72Å; R145-F178 HydrophobicContact CB-CE1 4.41Å
146G96.5Very high92.6Very high0 Ų033.7 Ų33.70%016%0.159CC..Hα-helixtrans-63.9-43.9176.200000113.4F67 R71 H142 Y143 T144 F149 E150F67-G146 VanDerWaalsContact CD2-CA 3.44Å; F67-G146 VanDerWaalsContact CD2-N 3.34Å; F67-G146 WeakPolarHBondContact O-CA 3.45Å; R71-G146 WeakPolarHBondContact CG-O 3.36Å; H142-G146 PolarHBondContact O-N 2.87Å; Y143-G146 PolarHBondContact O-N 2.9Å; Y143-G146 VanDerWaalsContact O-N 3.16Å; T144-G146 VanDerWaalsContact C-N 3.27Å; T144-G146 PolarHBondContact O-N 3.33Å; G146-F149 PolarHBondContact O-N 2.89Å; G146-E150 PolarHBondContact O-N 2.81Å
147L95.5Very high92.8Very high39 Ų3936.1 Ų36.120%0.20417%0.173CC..Hα-helixtrans-58.2-51.4174.8-67.9173.6000111.3G70 T73 I74 Y143 T144 F149 E150 V151G70-L147 VanDerWaalsContact O-CD2 3.28Å; G70-L147 WeakPolarHBondContact O-CD2 3.39Å; T73-L147 HydrophobicContact CG2-CD2 3.99Å; I74-L147 HydrophobicContact CD1-CB 4.43Å; I74-L147 HydrophobicContact CD1-CD2 3.58Å; I74-L147 HydrophobicContact CG1-CB 4.48Å; I74-L147 HydrophobicContact CG1-CD2 3.82Å; Y143-L147 HydrophobicContact CD1-CD1 3.97Å; Y143-L147 HydrophobicContact CD1-CG 4.44Å; Y143-L147 HydrophobicContact CE1-CD1 3.44Å; Y143-L147 VanDerWaalsContact CE1-CD1 3.44Å; Y143-L147 HydrophobicContact CE1-CD2 4.43Å; Y143-L147 HydrophobicContact CE1-CG 4.03Å; Y143-L147 PolarHBondContact O-N 2.88Å; T144-L147 WeakPolarHBondContact O-CB 3.36Å; T144-L147 PolarHBondContact O-N 3.2Å; L147-F149 PolarHBondContact O-N 3.18Å; L147-E150 PolarHBondContact O-N 3.36Å; L147-V151 WeakPolarHBondContact O-CB 3.46Å; L147-V151 VanDerWaalsContact O-CG2 3.32Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 3.08Å
148L95.6Very high92.9Very high10 Ų1035.6 Ų35.65%0.05217%0.172CC..Hα-helixtrans-61.8-43.4-178.4-70.4173.9000111.9L97 L131 T144 R145 A152 I162 F178L97-L148 HydrophobicContact CD2-CD2 3.7Å; L131-L148 HydrophobicContact CD2-CD1 3.8Å; L131-L148 HydrophobicContact CD2-CD2 4.48Å; T144-L148 HydrophobicContact CG2-CD1 4.24Å; T144-L148 HydrophobicContact CG2-CG 4.41Å; T144-L148 WeakPolarHBondContact O-CG 3.25Å; T144-L148 PolarHBondContact O-N 2.97Å; R145-L148 PolarHBondContact O-N 3.35Å; L148-A152 WeakPolarHBondContact O-CB 3.43Å; L148-A152 PolarHBondContact O-N 3.34Å; L148-A152 VanDerWaalsContact O-N 3.11Å; L148-I162 HydrophobicContact CB-CD1 3.67Å; L148-F178 HydrophobicContact CD1-CD2 4.44Å
149F96Very high93.2Very high52 Ų5238.2 Ų38.223%0.22818%0.18CC..Hα-helixtrans-59.5-50.5177.8178.6-92.1000111.6F67 R71 R145 G146 L147 A152 K153 L160 I162F67-F149 HydrophobicContact CE2-CB 4.06Å; F67-F149 HydrophobicContact CE2-CG 4.36Å; F67-F149 HydrophobicContact CZ-CB 4.15Å; F67-F149 HydrophobicContact CZ-CD1 4.11Å; F67-F149 HydrophobicContact CZ-CD2 4.38Å; F67-F149 AromaticContact CZ-CG 3.95Å; F67-F149 HydrophobicContact CZ-CG 3.95Å; R71-F149 HydrophobicContact CG-CD1 4.12Å; R145-F149 VanDerWaalsContact O-CB 3.31Å; R145-F149 WeakPolarHBondContact O-CB 3.25Å; R145-F149 PolarHBondContact O-N 3.15Å; G146-F149 PolarHBondContact O-N 2.89Å; L147-F149 PolarHBondContact O-N 3.18Å; F149-A152 PolarHBondContact O-N 2.7Å; F149-K153 HydrophobicContact CE1-CD 4.37Å; F149-K153 WeakPolarHBondContact O-CB 3.25Å; F149-K153 PolarHBondContact O-N 3.29Å; F149-K153 VanDerWaalsContact O-N 3.09Å; F149-L160 WeakPolarHBondContact CD2-O 3.44Å; F149-L160 VanDerWaalsContact CE2-O 3.31Å; F149-L160 WeakPolarHBondContact CE2-O 3.42Å; F149-I162 HydrophobicContact CB-CD1 3.99Å
150E95.4Very high93.4Very high6 Ų636.9 Ų36.93%0.02817%0.165CC..Hα-helixtrans-73.8-36.2-174.8-160.873.4-163.400112.4R71 I74 Q75 G146 L147 K153 Y154R71-E150 HydrophobicContact CB-CB 4.05Å; R71-E150 HydrophobicContact CB-CG 4.27Å; R71-E150 HydrophobicContact CG-CB 4.15Å; R71-E150 IonicContact CZ-OE2 3.34Å; R71-E150 IonicContact NE-OE2 2.74Å; R71-E150 PolarHBondContact NE-OE2 2.99Å; R71-E150 IonicContact NH2-OE2 3.58Å; R71-E150 PolarHBondContact NH2-OE2 2.81Å; R71-E150 WeakPolarHBondContact O-CG 3.34Å; I74-E150 HydrophobicContact CB-CB 4.02Å; I74-E150 HydrophobicContact CB-CG 4.01Å; I74-E150 HydrophobicContact CG1-CB 4.16Å; I74-E150 HydrophobicContact CG2-CB 4.35Å; I74-E150 HydrophobicContact CG2-CG 4.18Å; Q75-E150 HydrophobicContact CG-CG 4.12Å; Q75-E150 PolarHBondContact NE2-OE1 2.76Å; G146-E150 PolarHBondContact O-N 2.81Å; L147-E150 PolarHBondContact O-N 3.36Å; E150-K153 PolarHBondContact O-N 3.23Å; E150-Y154 WeakPolarHBondContact O-CB 3.3Å; E150-Y154 PolarHBondContact O-N 2.7Å
151V94.1Very high93.5Very high11 Ų1140.3 Ų40.37%0.06718%0.183CC..Hα-helixtrans-61.3-46.7173.8171.10000111I74 L96 L147 K153 I155 Y156I74-V151 HydrophobicContact CB-CG2 4.42Å; I74-V151 HydrophobicContact CD1-CG2 3.33Å; I74-V151 HydrophobicContact CG1-CG2 3.64Å; I74-V151 HydrophobicContact CG2-CG2 3.89Å; L96-V151 HydrophobicContact CD2-CG1 3.44Å; L96-V151 VanDerWaalsContact CD2-CG1 3.44Å; L147-V151 WeakPolarHBondContact O-CB 3.46Å; L147-V151 VanDerWaalsContact O-CG2 3.32Å; L147-V151 WeakPolarHBondContact O-CG2 3.38Å; L147-V151 PolarHBondContact O-N 3.08Å; V151-K153 PolarHBondContact O-N 2.7Å; V151-I155 HydrophobicContact CG1-CB 4.5Å; V151-I155 HydrophobicContact CG1-CD1 4.11Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CB 3.3Å; V151-I155 WeakPolarHBondContact O-CB 3.49Å; V151-I155 PolarHBondContact O-N 3.27Å; V151-Y156 HydrophobicContact CG1-CD2 4.48Å; V151-Y156 HydrophobicContact CG1-CE2 4.26Å
152A93.1Very high93.6Very high0 Ų040.7 Ų40.70%019%0.185CC..Hα-helixtrans-60.9-46.1179.400000111.8F93 L148 F149 Y156 Q157 L158 L160F93-A152 HydrophobicContact CD2-CB 3.93Å; F93-A152 HydrophobicContact CE2-CB 3.59Å; F93-A152 HydrophobicContact CZ-CB 3.97Å; L148-A152 WeakPolarHBondContact O-CB 3.43Å; L148-A152 PolarHBondContact O-N 3.34Å; L148-A152 VanDerWaalsContact O-N 3.11Å; F149-A152 PolarHBondContact O-N 2.7Å; A152-Y156 CarbonylContact O-C 3.56Å; A152-Y156 WeakPolarHBondContact O-CA 3.42Å; A152-Y156 WeakPolarHBondContact O-CB 3.19Å; A152-Y156 PolarHBondContact O-N 2.73Å; A152-Q157 PolarHBondContact O-N 3.04Å; A152-L158 CarbonylContact C-O 3.58Å; A152-L158 HydrophobicContact CB-CB 4.3Å; A152-L158 PolarHBondContact O-N 3.23Å; A152-L160 HydrophobicContact CB-CD1 3.17Å; A152-L160 HydrophobicContact CB-CG 3.77Å
153K93.4Very high93.6Very high89 Ų8944.3 Ų44.339%0.38720%0.201SC..Hα-helixtrans-63.8-51.3179.2-176.7-176.7177.5-175.60112.3F149 E150 V151 Q157 L158F149-K153 HydrophobicContact CE1-CD 4.37Å; F149-K153 WeakPolarHBondContact O-CB 3.25Å; F149-K153 PolarHBondContact O-N 3.29Å; F149-K153 VanDerWaalsContact O-N 3.09Å; E150-K153 PolarHBondContact O-N 3.23Å; V151-K153 PolarHBondContact O-N 2.7Å; K153-Q157 VanDerWaalsContact O-CA 3.23Å; K153-Q157 WeakPolarHBondContact O-CA 3.31Å; K153-Q157 PolarHBondContact O-N 2.77Å; K153-L158 WeakPolarHBondContact CA-O 3.27Å; K153-L158 PolarHBondContact N-O 3.22Å
154Y91Very high93.5Very high110 Ų11046.1 Ų46.143%0.43121%0.211SC..Hα-helixtrans-80.9-41.1-170-164.6-80.7000112.8I78 E150I78-Y154 HydrophobicContact CD1-CD1 3.34Å; I78-Y154 HydrophobicContact CD1-CE1 3.65Å; I78-Y154 HydrophobicContact CD1-CG 3.84Å; I78-Y154 HydrophobicContact CG2-CE1 3.78Å; E150-Y154 WeakPolarHBondContact O-CB 3.3Å; E150-Y154 PolarHBondContact O-N 2.7Å
155I89.9Confident93.3Very high12 Ų1250.1 Ų50.16%0.06223%0.232CC..Hα-helixtrans-87.5-42.5-173.2-59.2-167.4000111.5L86 R87 V151L86-I155 HydrophobicContact CB-CD1 3.21Å; L86-I155 HydrophobicContact CD1-CD1 3.78Å; L86-I155 HydrophobicContact CG-CD1 4.09Å; R87-I155 HydrophobicContact CG-CG2 3.86Å; R87-I155 PolarHBondContact NH1-O 2.91Å; R87-I155 VanDerWaalsContact NH1-O 3.1Å; V151-I155 HydrophobicContact CG1-CB 4.5Å; V151-I155 HydrophobicContact CG1-CD1 4.11Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CB 3.3Å; V151-I155 WeakPolarHBondContact O-CB 3.49Å; V151-I155 PolarHBondContact O-N 3.27Å
156Y90.5Very high93.2Very high39 Ų3950.2 Ų50.215%0.15324%0.241CC..Hα-helixtrans-107.2-3.1-173.3-62-81000113.9G90 F93 L96 V151 A152 L158G90-Y156 WeakPolarHBondContact O-CE1 3.08Å; G90-Y156 PolarHBondContact O-OH 3.06Å; F93-Y156 HydrophobicContact CB-CD1 4.4Å; F93-Y156 HydrophobicContact CB-CD2 4.12Å; F93-Y156 HydrophobicContact CB-CG 4.05Å; F93-Y156 AromaticContact CD2-CD2 3.8Å; F93-Y156 HydrophobicContact CD2-CD2 3.8Å; F93-Y156 HydrophobicContact CD2-CE2 4.14Å; F93-Y156 HydrophobicContact CD2-CG 4.5Å; F93-Y156 HydrophobicContact CG-CD2 4.46Å; L96-Y156 HydrophobicContact CB-CE2 4.2Å; L96-Y156 HydrophobicContact CD2-CE2 3.97Å; V151-Y156 HydrophobicContact CG1-CD2 4.48Å; V151-Y156 HydrophobicContact CG1-CE2 4.26Å; A152-Y156 CarbonylContact O-C 3.56Å; A152-Y156 WeakPolarHBondContact O-CA 3.42Å; A152-Y156 WeakPolarHBondContact O-CB 3.19Å; A152-Y156 PolarHBondContact O-N 2.73Å; Y156-L158 PolarHBondContact O-N 3.36Å
157Q90.3Very high93Very high162 Ų16255.5 Ų55.576%0.75727%0.266SS*.  trans56.236.4-178.4-58.8174.7-24.100112.6A152 K153A152-Q157 PolarHBondContact O-N 3.04Å; K153-Q157 VanDerWaalsContact O-CA 3.23Å; K153-Q157 WeakPolarHBondContact O-CA 3.31Å; K153-Q157 PolarHBondContact O-N 2.77Å
158L90.9Very high92.8Very high24 Ų2456.5 Ų56.513%0.12628%0.276CS..  trans-102.8136179.5-63.3176.6000111.1F93 A152 K153 Y156 L182 E186 F188F93-L158 HydrophobicContact CB-CD1 3.64Å; F93-L158 HydrophobicContact CG-CD1 4.13Å; A152-L158 CarbonylContact C-O 3.58Å; A152-L158 HydrophobicContact CB-CB 4.3Å; A152-L158 PolarHBondContact O-N 3.23Å; K153-L158 WeakPolarHBondContact CA-O 3.27Å; K153-L158 PolarHBondContact N-O 3.22Å; Y156-L158 PolarHBondContact O-N 3.36Å; L158-L182 HydrophobicContact CB-CD2 3.92Å; L158-L182 HydrophobicContact CD1-CD2 4.31Å; L158-L182 HydrophobicContact CD2-CD2 3.99Å; L158-L182 HydrophobicContact CG-CD2 4.29Å; L158-E186 WeakPolarHBondContact CA-OE2 3.47Å; L158-F188 HydrophobicContact CD1-CD1 4.12Å; L158-F188 HydrophobicContact CD1-CE1 4.15Å
159H92.7Very high92.4Very high100 Ų10062.3 Ų62.346%0.46330%0.303SS..  trans-9694.9175-69.7-71.5000110C183 E186H159-C183 HydrophobicContact CB-CB 4.08Å; H159-C183 PolarHBondContact O-N 3.21Å; H159-C183 PolarHBondContact O-SG 3.28Å; H159-E186 IonicContact CD2-OE1 3.19Å; H159-E186 PolarHBondContact CD2-OE1 3.5Å; H159-E186 IonicContact CG-OE1 3.15Å; H159-E186 PolarHBondContact N-OE2 3.46Å
160L91.3Very high91.8Very high5 Ų564.8 Ų64.83%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-94.7135.9-178.4-70-179.6000113.5F93 F149 A152 I162 L180 E181 L182 F188F93-L160 HydrophobicContact CD1-CD1 4.41Å; F93-L160 HydrophobicContact CE1-CD1 3.65Å; F93-L160 HydrophobicContact CE2-CD1 4.35Å; F93-L160 HydrophobicContact CZ-CD1 3.61Å; F149-L160 WeakPolarHBondContact CD2-O 3.44Å; F149-L160 VanDerWaalsContact CE2-O 3.31Å; F149-L160 WeakPolarHBondContact CE2-O 3.42Å; A152-L160 HydrophobicContact CB-CD1 3.17Å; A152-L160 HydrophobicContact CB-CG 3.77Å; L160-I162 HydrophobicContact CB-CG1 4.18Å; L160-L180 HydrophobicContact CD1-CD2 4.25Å; L160-L180 HydrophobicContact CD2-CB 4.38Å; L160-E181 WeakPolarHBondContact CA-O 3.3Å; L160-L182 HydrophobicContact CD2-CD2 3.54Å; L160-L182 HydrophobicContact CD2-CG 4.03Å; L160-L182 HydrophobicContact CG-CD2 4.42Å; L160-F188 HydrophobicContact CD2-CE1 3.86Å; L160-F188 HydrophobicContact CD2-CZ 3.62Å
161I92.4Very high91.1Very high84 Ų8467.3 Ų67.343%0.43134%0.343SS..EExtended strand (participates in β ladder)trans-101.8115.5161.6-58.1173.8000107.2K163 E181I161-K163 HydrophobicContact CG2-CG 4.33Å; I161-E181 HydrophobicContact CB-CB 4.45Å; I161-E181 PolarHBondContact N-O 3.03Å; I161-E181 PolarHBondContact O-N 2.63Å
162I95.2Very high90.6Very high18 Ų1871.2 Ų71.29%0.09237%0.368CS..EExtended strand (participates in β ladder)trans-107.6109.2-178.4-50.5177.4000109.7R145 L148 F149 L160 F178 T179 L180R145-I162 HydrophobicContact CG-CB 3.81Å; R145-I162 HydrophobicContact CG-CD1 4.32Å; R145-I162 HydrophobicContact CG-CG2 3.72Å; L148-I162 HydrophobicContact CB-CD1 3.67Å; F149-I162 HydrophobicContact CB-CD1 3.99Å; L160-I162 HydrophobicContact CB-CG1 4.18Å; I162-F178 HydrophobicContact CG2-CB 4.06Å; I162-F178 HydrophobicContact CG2-CD1 3.96Å; I162-F178 HydrophobicContact CG2-CG 4.22Å; I162-T179 CarbonylContact C-O 3.39Å; I162-T179 WeakPolarHBondContact CA-O 3.26Å; I162-L180 HydrophobicContact CG1-CG 4.42Å; I162-L180 HydrophobicContact CG2-CG 4.44Å
163K94.4Very high90.3Very high94 Ų9472.9 Ų72.941%0.40938%0.377SS..EExtended strand (participates in β ladder)trans-98.9144.8176.9-60.7174.8-171.4160.40110.4I161 F178 T179 E181I161-K163 HydrophobicContact CG2-CG 4.33Å; K163-F178 CarbonylContact O-C 3.56Å; K163-F178 VanDerWaalsContact O-CA 3.26Å; K163-F178 WeakPolarHBondContact O-CA 3.43Å; K163-T179 PolarHBondContact N-O 3.07Å; K163-T179 PolarHBondContact O-N 2.96Å; K163-E181 WeakPolarHBondContact CE-OE2 3.44Å; K163-E181 IonicContact NZ-OE1 2.9Å; K163-E181 PolarHBondContact NZ-OE1 3.11Å; K163-E181 IonicContact NZ-OE2 2.72Å; K163-E181 PolarHBondContact NZ-OE2 3.46Å
164I94.5Very high90.2Very high50 Ų5072.7 Ų72.726%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-94.5115171.8-62.4172.7000107.1H142 E167 T176 F178H142-I164 WeakPolarHBondContact CE1-CD1 3.24Å; I164-E167 HydrophobicContact CG2-CG 3.77Å; I164-T176 HydrophobicContact CG2-CG2 3.86Å; I164-F178 HydrophobicContact CD1-CE1 4.31Å; I164-F178 HydrophobicContact CG1-CD1 3.88Å; I164-F178 HydrophobicContact CG1-CE1 3.75Å
165N91.4Very high90.3Very high90 Ų9070 Ų7048%0.48136%0.363SS..EExtended strand (participates in β ladder)trans-86.2-42.7-178.2-6911.5000112.2V177 T179N165-V177 HydrophobicContact CB-CB 4.38Å; N165-V177 HydrophobicContact CB-CG1 4.33Å; N165-V177 PolarHBondContact N-O 3.3Å; N165-T179 PolarHBondContact ND2-OG1 2.86Å; N165-T179 PolarHBondContact OD1-OG1 3.4Å
166S92.6Very high90.5Very high59 Ų5969.6 Ų69.641%0.41336%0.362SS..EExtended strand (participates in β ladder)trans-156.1151-178.161.70000111T176 V177S166-T176 WeakPolarHBondContact O-CA 3.25Å; S166-V177 PolarHBondContact O-N 3.45Å
167E92.9Very high90.8Very high112 Ų11268.8 Ų68.852%0.52336%0.361SS..EExtended strand (participates in β ladder)trans-130.1128.2173.6-62.3-168.2-122.500108.3N141 I164 R175 T176N141-E167 VanDerWaalsContact ND2-CD 3.28Å; N141-E167 PolarHBondContact ND2-OE1 2.69Å; N141-E167 PolarHBondContact ND2-OE2 2.81Å; I164-E167 HydrophobicContact CG2-CG 3.77Å; E167-R175 WeakPolarHBondContact CA-O 2.92Å; E167-T176 HydrophobicContact CG-CG2 4.08Å
168S91.9Very high91.1Very high59 Ų5961 Ų6141%0.41333%0.325SS..EExtended strand (participates in β ladder)trans-139.2160.1178.658.20000109.8R175S168-R175 PolarHBondContact N-O 3.06Å; S168-R175 PolarHBondContact O-N 3.08Å
169H87.2Confident91.3Very high133 Ų13360.5 Ų60.562%0.61632%0.322SS*.EExtended strand (participates in β ladder)trans-134.7136.7172.769.1-75.4000109.3I173 Y174H169-I173 CarbonylContact C-O 3.51Å; H169-I173 VanDerWaalsContact CA-O 3.29Å; H169-I173 WeakPolarHBondContact CA-O 3.36Å; H169-Y174 HydrophobicContact CB-CD1 3.85Å; H169-Y174 HydrophobicContact CB-CE1 4.1Å
170E81.9Confident91.5Very high103 Ų10355.7 Ų55.748%0.48130%0.3SS..EExtended strand (participates in β ladder)trans-124.2102.1173.8-74.3-178.6-163.100107.7I173 R175E170-I173 PolarHBondContact N-O 3.44Å; E170-I173 PolarHBondContact O-N 3.19Å; E170-I173 VanDerWaalsContact O-N 3.15Å; E170-R175 VanDerWaalsContact CD-NH2 3.34Å; E170-R175 IonicContact OE1-CZ 3.1Å; E170-R175 IonicContact OE1-NH1 2.65Å; E170-R175 PolarHBondContact OE1-NH1 2.74Å; E170-R175 IonicContact OE1-NH2 3.83Å; E170-R175 IonicContact OE2-CZ 3.59Å; E170-R175 IonicContact OE2-NH1 3.62Å; E170-R175 PolarHBondContact OE2-NH1 2.91Å; E170-R175 IonicContact OE2-NH2 3.28Å; E170-R175 PolarHBondContact OE2-NH2 2.81Å
171G81.7Confident91.5Very high59 Ų5958.3 Ų58.361%0.60831%0.312SS*.THydrogen-bonded Turntrans58-124.8-174.100000111.6I173G171-I173 PolarHBondContact O-N 3.29Å
172P84.1Confident91.4Very high94 Ų9455.1 Ų55.161%0.6130%0.296SS*.THydrogen-bonded Turntrans-83.69.3-179.235.5-35.6000113.9K136K136-P172 WeakPolarHBondContact CA-O 3.47Å
173I86.5Confident90.9Very high35 Ų3556.7 Ų56.718%0.17931%0.308CS..EExtended strand (participates in β ladder)trans-114121.4-173.6-60.4175.1000109.5T134 H169 E170 G171 R175T134-I173 HydrophobicContact CG2-CG2 3.17Å; H169-I173 CarbonylContact C-O 3.51Å; H169-I173 VanDerWaalsContact CA-O 3.29Å; H169-I173 WeakPolarHBondContact CA-O 3.36Å; E170-I173 PolarHBondContact N-O 3.44Å; E170-I173 PolarHBondContact O-N 3.19Å; E170-I173 VanDerWaalsContact O-N 3.15Å; G171-I173 PolarHBondContact O-N 3.29Å; I173-R175 HydrophobicContact CG2-CG 4.31Å
174Y91.3Very high90Very high85 Ų8561 Ų6133%0.33333%0.333SS..EExtended strand (participates in β ladder)trans-97134.8174-58.1-87.7000109.6T134 T135 P138 H169T134-Y174 CarbonylContact C-O 3.58Å; T134-Y174 WeakPolarHBondContact CA-O 3.33Å; T135-Y174 PolarHBondContact N-O 2.97Å; T135-Y174 PolarHBondContact O-N 3.13Å; P138-Y174 HydrophobicContact CB-CD1 4.45Å; P138-Y174 HydrophobicContact CB-CD2 4.25Å; P138-Y174 HydrophobicContact CB-CE1 3.95Å; P138-Y174 HydrophobicContact CB-CE2 3.72Å; P138-Y174 HydrophobicContact CG-CE2 4.08Å; H169-Y174 HydrophobicContact CB-CD1 3.85Å; H169-Y174 HydrophobicContact CB-CE1 4.1Å
175R92.3Very high89.1Confident52 Ų5262.6 Ų62.620%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-125.3131.4-179.1-61.4-177.5-176.7166.33.2109.8Y133 T134 E167 S168 E170 I173Y133-R175 CarbonylContact O-C 3.57Å; Y133-R175 WeakPolarHBondContact O-CA 3.3Å; T134-R175 HydrophobicContact CG2-CG 4.13Å; E167-R175 WeakPolarHBondContact CA-O 2.92Å; S168-R175 PolarHBondContact N-O 3.06Å; S168-R175 PolarHBondContact O-N 3.08Å; E170-R175 VanDerWaalsContact CD-NH2 3.34Å; E170-R175 IonicContact OE1-CZ 3.1Å; E170-R175 IonicContact OE1-NH1 2.65Å; E170-R175 PolarHBondContact OE1-NH1 2.74Å; E170-R175 IonicContact OE1-NH2 3.83Å; E170-R175 IonicContact OE2-CZ 3.59Å; E170-R175 IonicContact OE2-NH1 3.62Å; E170-R175 PolarHBondContact OE2-NH1 2.91Å; E170-R175 IonicContact OE2-NH2 3.28Å; E170-R175 PolarHBondContact OE2-NH2 2.81Å; I173-R175 HydrophobicContact CG2-CG 4.31Å
176T95Very high88.6Confident4 Ų460.9 Ų60.93%0.02535%0.351CS..EExtended strand (participates in β ladder)trans-129.1128.9176-54.50000108.4Y133 N141 I164 S166 E167 F178Y133-T176 PolarHBondContact N-O 2.7Å; Y133-T176 PolarHBondContact O-N 3.47Å; N141-T176 HydrophobicContact CB-CG2 4.19Å; I164-T176 HydrophobicContact CG2-CG2 3.86Å; S166-T176 WeakPolarHBondContact O-CA 3.25Å; E167-T176 HydrophobicContact CG-CG2 4.08Å; T176-F178 HydrophobicContact CG2-CD1 4.04Å; T176-F178 HydrophobicContact CG2-CE1 3.57Å; T176-F178 HydrophobicContact CG2-CE2 4.14Å; T176-F178 HydrophobicContact CG2-CZ 3.62Å
177V96Very high88.1Confident22 Ų2261.3 Ų61.313%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-100.2118.3173.6-178.60000108.7L122 V130 N165 S166L122-V177 HydrophobicContact CD1-CG1 3.99Å; L122-V177 HydrophobicContact CD1-CG2 4.29Å; V130-V177 HydrophobicContact CG1-CG1 3.55Å; N165-V177 HydrophobicContact CB-CB 4.38Å; N165-V177 HydrophobicContact CB-CG1 4.33Å; N165-V177 PolarHBondContact N-O 3.3Å; S166-V177 PolarHBondContact O-N 3.45Å
178F96.5Very high87.6Confident0 Ų056.4 Ų56.40%033%0.331CS..EExtended strand (participates in β ladder)trans-98.5142.6175.4-59.5-67.9000111V130 L131 Y133 N141 T144 R145 L148 I162 K163 I164 T176 L180V130-F178 CarbonylContact C-O 3.56Å; V130-F178 WeakPolarHBondContact CA-O 3.41Å; L131-F178 HydrophobicContact CB-CB 4.43Å; L131-F178 PolarHBondContact N-O 3.5Å; L131-F178 PolarHBondContact O-N 3.41Å; Y133-F178 VanDerWaalsContact CB-CE2 3.43Å; Y133-F178 HydrophobicContact CD1-CE2 4.2Å; Y133-F178 AromaticContact CG-CE2 3.93Å; Y133-F178 HydrophobicContact CG-CE2 3.93Å; N141-F178 HydrophobicContact CB-CZ 4.41Å; T144-F178 HydrophobicContact CG2-CE2 4.45Å; R145-F178 HydrophobicContact CB-CE1 4.41Å; L148-F178 HydrophobicContact CD1-CD2 4.44Å; I162-F178 HydrophobicContact CG2-CB 4.06Å; I162-F178 HydrophobicContact CG2-CD1 3.96Å; I162-F178 HydrophobicContact CG2-CG 4.22Å; K163-F178 CarbonylContact O-C 3.56Å; K163-F178 VanDerWaalsContact O-CA 3.26Å; K163-F178 WeakPolarHBondContact O-CA 3.43Å; I164-F178 HydrophobicContact CD1-CE1 4.31Å; I164-F178 HydrophobicContact CG1-CD1 3.88Å; I164-F178 HydrophobicContact CG1-CE1 3.75Å; T176-F178 HydrophobicContact CG2-CD1 4.04Å; T176-F178 HydrophobicContact CG2-CE1 3.57Å; T176-F178 HydrophobicContact CG2-CE2 4.14Å; T176-F178 HydrophobicContact CG2-CZ 3.62Å; F178-L180 HydrophobicContact CB-CD1 3.96Å
179T96.5Very high86.8Confident12 Ų1261.4 Ų61.47%0.07435%0.346CS..EExtended strand (participates in β ladder)trans-105.8120.9161.3-550000108.5C128 I162 K163 N165 E181C128-T179 WeakPolarHBondContact SG-CG2 3.33Å; I162-T179 CarbonylContact C-O 3.39Å; I162-T179 WeakPolarHBondContact CA-O 3.26Å; K163-T179 PolarHBondContact N-O 3.07Å; K163-T179 PolarHBondContact O-N 2.96Å; N165-T179 PolarHBondContact ND2-OG1 2.86Å; N165-T179 PolarHBondContact OD1-OG1 3.4Å; T179-E181 HydrophobicContact CG2-CG 3.81Å
180L94.9Very high85.8Confident0 Ų061.1 Ų61.10%034%0.344CS..EExtended strand (participates in β ladder)trans-103.999.2177.9-58.484.2000107.4F93 L97 C128 I129 L131 L160 I162 F178F93-L180 HydrophobicContact CE1-CD2 3.72Å; F93-L180 HydrophobicContact CZ-CD2 4.01Å; L97-L180 HydrophobicContact CD1-CD2 4.47Å; C128-L180 CarbonylContact C-O 3.57Å; C128-L180 VanDerWaalsContact CA-O 3.32Å; C128-L180 WeakPolarHBondContact CA-O 3.41Å; I129-L180 HydrophobicContact CB-CB 4.33Å; I129-L180 HydrophobicContact CB-CD1 4.49Å; I129-L180 HydrophobicContact CG2-CD1 4.37Å; I129-L180 PolarHBondContact N-O 2.55Å; I129-L180 WeakPolarHBondContact O-CD1 3.3Å; I129-L180 PolarHBondContact O-N 3.44Å; L131-L180 HydrophobicContact CB-CD1 3.44Å; L131-L180 VanDerWaalsContact CB-CD1 3.44Å; L131-L180 HydrophobicContact CD2-CD1 4.1Å; L131-L180 HydrophobicContact CD2-CD2 4.45Å; L131-L180 HydrophobicContact CG-CD1 4.43Å; L160-L180 HydrophobicContact CD1-CD2 4.25Å; L160-L180 HydrophobicContact CD2-CB 4.38Å; I162-L180 HydrophobicContact CG1-CG 4.42Å; I162-L180 HydrophobicContact CG2-CG 4.44Å; F178-L180 HydrophobicContact CB-CD1 3.96Å
181E92.8Very high84.8Confident60 Ų6058.7 Ų58.728%0.2834%0.339SS..EExtended strand (participates in β ladder)trans-98.5133.8178-66.8170.9-163.200109.6L160 I161 K163 T179L160-E181 WeakPolarHBondContact CA-O 3.3Å; I161-E181 HydrophobicContact CB-CB 4.45Å; I161-E181 PolarHBondContact N-O 3.03Å; I161-E181 PolarHBondContact O-N 2.63Å; K163-E181 WeakPolarHBondContact CE-OE2 3.44Å; K163-E181 IonicContact NZ-OE1 2.9Å; K163-E181 PolarHBondContact NZ-OE1 3.11Å; K163-E181 IonicContact NZ-OE2 2.72Å; K163-E181 PolarHBondContact NZ-OE2 3.46Å; T179-E181 HydrophobicContact CG2-CG 3.81Å
182L89.2Confident83.3Confident17 Ų1764.5 Ų64.59%0.08935%0.35CS..EExtended strand (participates in β ladder)trans-80.5148.6170.2-74.3168.2000110.9S127 L158 L160 E186 S187 F188S127-L182 PolarHBondContact O-N 3.13Å; L158-L182 HydrophobicContact CB-CD2 3.92Å; L158-L182 HydrophobicContact CD1-CD2 4.31Å; L158-L182 HydrophobicContact CD2-CD2 3.99Å; L158-L182 HydrophobicContact CG-CD2 4.29Å; L160-L182 HydrophobicContact CD2-CD2 3.54Å; L160-L182 HydrophobicContact CD2-CG 4.03Å; L160-L182 HydrophobicContact CG-CD2 4.42Å; L182-E186 HydrophobicContact CB-CB 4.05Å; L182-E186 HydrophobicContact CD1-CB 4.18Å; L182-E186 HydrophobicContact CD2-CB 4.14Å; L182-E186 WeakPolarHBondContact CD2-OE2 3.33Å; L182-E186 HydrophobicContact CG-CB 4.37Å; L182-S187 VanDerWaalsContact CD1-C 3.44Å; L182-F188 HydrophobicContact CD1-CB 4.37Å; L182-F188 HydrophobicContact CD1-CD1 3.81Å; L182-F188 HydrophobicContact CD1-CD2 3.56Å; L182-F188 HydrophobicContact CD1-CE1 3.88Å; L182-F188 HydrophobicContact CD1-CE2 3.64Å; L182-F188 HydrophobicContact CD1-CG 3.65Å; L182-F188 HydrophobicContact CD1-CZ 3.82Å; L182-F188 HydrophobicContact CD2-CE1 4.02Å; L182-F188 HydrophobicContact CD2-CZ 4.11Å; L182-F188 HydrophobicContact CG-CD1 4.36Å; L182-F188 HydrophobicContact CG-CD2 4.21Å; L182-F188 HydrophobicContact CG-CE1 3.92Å; L182-F188 HydrophobicContact CG-CE2 3.75Å; L182-F188 HydrophobicContact CG-CG 4.49Å; L182-F188 HydrophobicContact CG-CZ 3.6Å
183C85.4Confident81.7Confident51 Ų5166.6 Ų66.635%0.34536%0.355SS..PPolyproline II helixtrans-60.8153.7166.6-72.40000111.3H159 G185 E186H159-C183 HydrophobicContact CB-CB 4.08Å; H159-C183 PolarHBondContact O-N 3.21Å; H159-C183 PolarHBondContact O-SG 3.28Å; C183-G185 PolarHBondContact O-N 3.37Å; C183-E186 PolarHBondContact O-N 3.35Å
184I76.2Confident79.5Confident184 Ų18470 Ų7094%0.94438%0.381SS*.THydrogen-bonded Turntrans-55.9129.5-176.8-59.5168.3000110.2
185G74.7Confident77.2Confident84 Ų8472.4 Ų72.487%0.86640%0.397SS*.THydrogen-bonded Turntrans97.4-11.4178.800000114.8C183C183-G185 PolarHBondContact O-N 3.37Å
186E81Confident74.9Confident53 Ų5375.3 Ų75.325%0.24842%0.415CS..  trans-93152.3172.3-69177.5-159.900111.3L158 H159 L182 C183L158-E186 WeakPolarHBondContact CA-OE2 3.47Å; H159-E186 IonicContact CD2-OE1 3.19Å; H159-E186 PolarHBondContact CD2-OE1 3.5Å; H159-E186 IonicContact CG-OE1 3.15Å; H159-E186 PolarHBondContact N-OE2 3.46Å; L182-E186 HydrophobicContact CB-CB 4.05Å; L182-E186 HydrophobicContact CD1-CB 4.18Å; L182-E186 HydrophobicContact CD2-CB 4.14Å; L182-E186 WeakPolarHBondContact CD2-OE2 3.33Å; L182-E186 HydrophobicContact CG-CB 4.37Å; C183-E186 PolarHBondContact O-N 3.35Å
187S81.4Confident72.4Confident68 Ų6885.1 Ų85.148%0.47646%0.457SS..  trans-136.4143.116957.50000110.2P126 L182 K189P126-S187 CarbonylContact O-C 3.59Å; P126-S187 VanDerWaalsContact O-CA 3.26Å; P126-S187 WeakPolarHBondContact O-CA 3.45Å; L182-S187 VanDerWaalsContact CD1-C 3.44Å; S187-K189 PolarHBondContact O-N 3.4Å
188F82.1Confident70.1Confident10 Ų1087.3 Ų87.34%0.04447%0.471CS..  trans-63.1103.7165.9-67.2-64.3000106.9F93 P126 I129 L158 L160 L182 E190F93-F188 HydrophobicContact CD1-CD1 4.15Å; F93-F188 AromaticContact CD1-CE1 3.62Å; F93-F188 HydrophobicContact CD1-CE1 3.62Å; F93-F188 HydrophobicContact CE1-CE1 4.22Å; P126-F188 WeakPolarHBondContact O-CD2 3.27Å; P126-F188 PolarHBondContact O-N 3.23Å; I129-F188 HydrophobicContact CB-CE2 4.29Å; I129-F188 HydrophobicContact CB-CZ 4.48Å; I129-F188 HydrophobicContact CD1-CD1 3.83Å; I129-F188 HydrophobicContact CD1-CD2 3.78Å; I129-F188 HydrophobicContact CD1-CE1 3.8Å; I129-F188 HydrophobicContact CD1-CE2 3.75Å; I129-F188 HydrophobicContact CD1-CG 3.82Å; I129-F188 HydrophobicContact CD1-CZ 3.75Å; I129-F188 HydrophobicContact CG1-CD2 3.77Å; I129-F188 HydrophobicContact CG1-CE2 3.6Å; I129-F188 HydrophobicContact CG1-CG 4.32Å; I129-F188 HydrophobicContact CG1-CZ 4Å; L158-F188 HydrophobicContact CD1-CD1 4.12Å; L158-F188 HydrophobicContact CD1-CE1 4.15Å; L160-F188 HydrophobicContact CD2-CE1 3.86Å; L160-F188 HydrophobicContact CD2-CZ 3.62Å; L182-F188 HydrophobicContact CD1-CB 4.37Å; L182-F188 HydrophobicContact CD1-CD1 3.81Å; L182-F188 HydrophobicContact CD1-CD2 3.56Å; L182-F188 HydrophobicContact CD1-CE1 3.88Å; L182-F188 HydrophobicContact CD1-CE2 3.64Å; L182-F188 HydrophobicContact CD1-CG 3.65Å; L182-F188 HydrophobicContact CD1-CZ 3.82Å; L182-F188 HydrophobicContact CD2-CE1 4.02Å; L182-F188 HydrophobicContact CD2-CZ 4.11Å; L182-F188 HydrophobicContact CG-CD1 4.36Å; L182-F188 HydrophobicContact CG-CD2 4.21Å; L182-F188 HydrophobicContact CG-CE1 3.92Å; L182-F188 HydrophobicContact CG-CE2 3.75Å; L182-F188 HydrophobicContact CG-CG 4.49Å; L182-F188 HydrophobicContact CG-CZ 3.6Å; F188-E190 PolarHBondContact O-N 3.1Å; F188-E190 VanDerWaalsContact O-N 3.15Å
189K75.4Confident67.6Low163 Ų16389.5 Ų89.571%0.70949%0.493SS*.  trans-54.9123.3171-63-178.2-178.5176.80107.2T92 S187T92-K189 VanDerWaalsContact CB-O 3.28Å; T92-K189 WeakPolarHBondContact CB-O 3.36Å; T92-K189 HydrophobicContact CG2-CB 4.13Å; T92-K189 WeakPolarHBondContact CG2-O 3.29Å; S187-K189 PolarHBondContact O-N 3.4Å
190E67.7Low65.4Low127 Ų12796.1 Ų96.159%0.59353%0.527SS*.  trans-80.2141164.9-63.1-157.4133.200107.6K94 F188 E192K94-E190 IonicContact NZ-OE1 3.43Å; K94-E190 PolarHBondContact NZ-OE1 2.87Å; F188-E190 PolarHBondContact O-N 3.1Å; F188-E190 VanDerWaalsContact O-N 3.15Å; E190-E192 PolarHBondContact O-N 2.89Å
191S59.8Low63.4Low52 Ų5299 Ų9936%0.36456%0.556SS.*  trans-64.3102159.248.20000105.1D95 I193D95-S191 PolarHBondContact OD1-OG 2.62Å; S191-I193 PolarHBondContact O-N 2.83Å
192E51.5Low61.5Low182 Ų18299.1 Ų99.185%0.8556%0.562SS**  trans-56.395.5153-71.3-179.1-178.100103.5E190 C194E190-E192 PolarHBondContact O-N 2.89Å; E192-C194 VanDerWaalsContact C-N 3.32Å; E192-C194 PolarHBondContact O-N 3.33Å
193I50Low59.7Low138 Ų138102.8 Ų102.871%0.70858%0.579SS**  trans-48.2119.8152.1-61.8174000101S191 M195S191-I193 PolarHBondContact O-N 2.83Å; I193-M195 PolarHBondContact O-N 2.91Å
194C39.7Very low58.4Low106 Ų106107.3 Ų107.372%0.71660%0.6SS**  trans-64.668.9167.9-163.40000105.8E192 I196E192-C194 VanDerWaalsContact C-N 3.32Å; E192-C194 PolarHBondContact O-N 3.33Å; C194-I196 PolarHBondContact O-N 3.35Å
195M43.2Very low57.7Low136 Ų136106.8 Ų106.867%0.6759%0.591SS**  trans-50.788130.8-70.5-103-74.300101.5I193 K197I193-M195 PolarHBondContact O-N 2.91Å; M195-K197 PolarHBondContact O-N 3.07Å
196I43.2Very low57.2Low112 Ų112107.7 Ų107.757%0.57458%0.575SS**  trans-35.7134.5160.4-61.1171.1000103.9C194 T198C194-I196 PolarHBondContact O-N 3.35Å; I196-T198 HydrophobicContact CB-CG2 4.28Å; I196-T198 HydrophobicContact CG2-CG2 3.84Å; I196-T198 PolarHBondContact O-N 3.15Å; I196-T198 PolarHBondContact O-OG1 3.33Å
197K44.2Very low56.7Low210 Ų210110.8 Ų110.891%0.91360%0.6SS**SBendtrans-59.933.6172.4-65.5176.3174.8177.30112.2M195 G199M195-K197 PolarHBondContact O-N 3.07Å; K197-G199 PolarHBondContact O-N 3.41Å
198T47.1Very low56.5Low69 Ų69116.9 Ų116.942%0.42362%0.618SS.*  trans-58.988.1149.650.40000106.5I196 T202I196-T198 HydrophobicContact CB-CG2 4.28Å; I196-T198 HydrophobicContact CG2-CG2 3.84Å; I196-T198 PolarHBondContact O-N 3.15Å; I196-T198 PolarHBondContact O-OG1 3.33Å; T198-T202 WeakPolarHBondContact CA-OG1 3.38Å; T198-T202 VanDerWaalsContact CB-OG1 3.31Å; T198-T202 WeakPolarHBondContact CB-OG1 3.3Å
199G44.4Very low56.3Low45 Ų45122.1 Ų122.146%0.46465%0.645SS.*  trans-48.8152.7174.300000110.4K197 G201 T202K197-G199 PolarHBondContact O-N 3.41Å; G199-G201 PolarHBondContact O-N 3.43Å; G199-T202 PolarHBondContact O-N 2.89Å; G199-T202 PolarHBondContact O-OG1 2.91Å
200L49.7Very low56.7Low152 Ų152116.9 Ų116.980%0.79663%0.629SS**Hα-helixtrans-40.9-29177.8-119.575.9000114.1T202 M203L200-T202 VanDerWaalsContact C-N 3.34Å; L200-T202 PolarHBondContact O-N 2.76Å; L200-M203 PolarHBondContact O-N 2.79Å
201G52.7Low57.3Low59 Ų59114.5 Ų114.561%0.60863%0.627SS**Hα-helixtrans-63.6-21.3175.200000116.9G199G199-G201 PolarHBondContact O-N 3.43Å
202T53.6Low58.3Low64 Ų64119.7 Ų119.739%0.39365%0.645SS.*Hα-helixtrans-89.3-22174.823.10000113.8T198 G199 L200 N204 K205 L206T198-T202 WeakPolarHBondContact CA-OG1 3.38Å; T198-T202 VanDerWaalsContact CB-OG1 3.31Å; T198-T202 WeakPolarHBondContact CB-OG1 3.3Å; G199-T202 PolarHBondContact O-N 2.89Å; G199-T202 PolarHBondContact O-OG1 2.91Å; L200-T202 VanDerWaalsContact C-N 3.34Å; L200-T202 PolarHBondContact O-N 2.76Å; T202-N204 VanDerWaalsContact C-N 3.31Å; T202-N204 PolarHBondContact O-N 3.23Å; T202-K205 WeakPolarHBondContact O-CA 3.26Å; T202-K205 WeakPolarHBondContact O-CB 3.48Å; T202-K205 PolarHBondContact O-N 3.02Å; T202-L206 PolarHBondContact O-N 3.43Å
203M50.9Low59.9Low94 Ų94116.2 Ų116.246%0.46363%0.632SS.*Hα-helixtrans-62.6-37.7177.8-75.2-77.4-166.900112L200 K205 L206L200-M203 PolarHBondContact O-N 2.79Å; M203-K205 PolarHBondContact O-N 2.83Å; M203-K205 VanDerWaalsContact O-N 3.12Å; M203-L206 PolarHBondContact O-N 2.78Å; M203-L206 VanDerWaalsContact O-N 3.11Å; M203-L206 HydrophobicContact SD-CD1 3.53Å; M203-L206 VanDerWaalsContact SD-CD1 3.53Å
204N58.4Low61.7Low145 Ų145113.1 Ų113.178%0.77561%0.614SS**THydrogen-bonded Turntrans-65.9-11.3174.3-76.2-13.9000113.8T202T202-N204 VanDerWaalsContact C-N 3.31Å; T202-N204 PolarHBondContact O-N 3.23Å
205K61.2Low64Low173 Ų173110.1 Ų110.175%0.75259%0.589SS**THydrogen-bonded Turntrans-99-4.8176.1-61.6-175.1178.5-177.30113.4T202 M203T202-K205 WeakPolarHBondContact O-CA 3.26Å; T202-K205 WeakPolarHBondContact O-CB 3.48Å; T202-K205 PolarHBondContact O-N 3.02Å; M203-K205 PolarHBondContact O-N 2.83Å; M203-K205 VanDerWaalsContact O-N 3.12Å
206L64.7Low65.9Low104 Ų104106.6 Ų106.655%0.54559%0.587SS.*SBendtrans-73.1140176-68.8168000109.6T202 M203 K208T202-L206 PolarHBondContact O-N 3.43Å; M203-L206 PolarHBondContact O-N 2.78Å; M203-L206 VanDerWaalsContact O-N 3.11Å; M203-L206 HydrophobicContact SD-CD1 3.53Å; M203-L206 VanDerWaalsContact SD-CD1 3.53Å; L206-K208 PolarHBondContact O-N 3.19Å
207P70.8Confident67.9Low117 Ų117107.2 Ų107.276%0.7659%0.591SS**PPolyproline II helixtrans-57.3124.7174.222.5-30.9000109.5
208K75.8Confident70Confident196 Ų19699 Ų9985%0.85256%0.556SS**PPolyproline II helixtrans-74.3128.8177.8-64.6-178.3-179.4179.90108.9L206L206-K208 PolarHBondContact O-N 3.19Å
209I79.1Confident71.9Confident120 Ų12097.6 Ų97.662%0.61555%0.549SS*.PPolyproline II helixtrans-86.5133.3171.7-58.2174.1000107.3N213 F214I209-N213 HydrophobicContact CG2-CB 3.99Å; I209-F214 HydrophobicContact CG2-CB 4.17Å
210S82.4Confident74.2Confident53 Ų5395.8 Ų95.837%0.37153%0.528SS..PPolyproline II helixtrans-59.4142.8172.657.40000110.4E212 N213 F214S210-E212 PolarHBondContact O-N 3Å; S210-N213 PolarHBondContact O-N 3.36Å; S210-N213 VanDerWaalsContact OG-CB 3.26Å; S210-N213 WeakPolarHBondContact OG-CB 3.22Å; S210-N213 PolarHBondContact OG-N 3.49Å; S210-N213 PolarHBondContact OG-ND2 3.48Å; S210-N213 VanDerWaalsContact OG-ND2 3.15Å; S210-F214 PolarHBondContact O-N 3.17Å
211S81.4Confident76.2Confident78 Ų7888.8 Ų88.855%0.54549%0.491SS..Hα-helixtrans-52.4-40.917546.80000112.3F214 F215S211-F214 PolarHBondContact O-N 3.29Å; S211-F215 WeakPolarHBondContact O-CB 3.24Å; S211-F215 WeakPolarHBondContact O-CD2 3.41Å; S211-F215 PolarHBondContact O-N 3.47Å
212E81.4Confident78.2Confident160 Ų16086 Ų8675%0.74846%0.462SS*.Hα-helixtrans-58.1-54.5177.9-67.4178.1-178.400112S210 F214 F215 G216S210-E212 PolarHBondContact O-N 3Å; E212-F214 VanDerWaalsContact C-N 3.32Å; E212-F214 PolarHBondContact O-N 3.42Å; E212-F215 PolarHBondContact O-N 3.48Å; E212-G216 WeakPolarHBondContact O-CA 3.48Å; E212-G216 PolarHBondContact O-N 3.03Å
213N84.9Confident80.2Confident110 Ų11083.9 Ų83.959%0.58845%0.449SS*.Hα-helixtrans-60.4-39.5176.2-69.2-15.1000112.7I209 S210 L217I209-N213 HydrophobicContact CG2-CB 3.99Å; S210-N213 PolarHBondContact O-N 3.36Å; S210-N213 VanDerWaalsContact OG-CB 3.26Å; S210-N213 WeakPolarHBondContact OG-CB 3.22Å; S210-N213 PolarHBondContact OG-N 3.49Å; S210-N213 PolarHBondContact OG-ND2 3.48Å; S210-N213 VanDerWaalsContact OG-ND2 3.15Å; N213-L217 WeakPolarHBondContact O-CG 3.49Å; N213-L217 PolarHBondContact O-N 3.32Å
214F86.6Confident82.2Confident73 Ų7379.5 Ų79.532%0.3243%0.427SS..Hα-helixtrans-66-49179.7179-100.8000112.1I209 S210 S211 E212 G216 L217 L218 W306I209-F214 HydrophobicContact CG2-CB 4.17Å; S210-F214 PolarHBondContact O-N 3.17Å; S211-F214 PolarHBondContact O-N 3.29Å; E212-F214 VanDerWaalsContact C-N 3.32Å; E212-F214 PolarHBondContact O-N 3.42Å; F214-G216 VanDerWaalsContact C-N 3.33Å; F214-L217 WeakPolarHBondContact O-CB 3.27Å; F214-L217 PolarHBondContact O-N 2.93Å; F214-L218 HydrophobicContact CE1-CD1 4.01Å; F214-L218 HydrophobicContact CZ-CD1 4.13Å; F214-W306 HydrophobicContact CE1-CH2 4.31Å
215F87.2Confident83.9Confident43 Ų4373.7 Ų73.719%0.18940%0.396CS..Hα-helixtrans-74.7-23.9179.5-71-57.2000112.9S211 E212 L217 L218 H221 W306 L310S211-F215 WeakPolarHBondContact O-CB 3.24Å; S211-F215 WeakPolarHBondContact O-CD2 3.41Å; S211-F215 PolarHBondContact O-N 3.47Å; E212-F215 PolarHBondContact O-N 3.48Å; F215-L217 PolarHBondContact O-N 3.18Å; F215-L218 CarbonylContact O-C 3.17Å; F215-L218 PolarHBondContact O-N 2.77Å; F215-H221 AromaticContact CD1-CD2 3.56Å; F215-H221 AromaticContact CD1-CE1 3.51Å; F215-H221 AromaticContact CD1-CG 3.85Å; F215-H221 AromaticContact CD1-ND1 3.79Å; F215-H221 AromaticContact CD1-NE2 3.36Å; F215-H221 WeakPolarHBondContact CD1-NE2 3.16Å; F215-H221 AromaticContact CE1-CD2 3.82Å; F215-H221 AromaticContact CE1-NE2 3.87Å; F215-H221 AromaticContact CG-CE1 3.75Å; F215-H221 AromaticContact CG-NE2 3.81Å; F215-W306 HydrophobicContact CZ-CH2 4.48Å; F215-L310 HydrophobicContact CE1-CD1 4.23Å
216G84.1Confident85.3Confident61 Ų6172.4 Ų72.463%0.62939%0.39SS*.Hα-helixtrans-60.2-29.3169.500000113E212 F214 L218E212-G216 WeakPolarHBondContact O-CA 3.48Å; E212-G216 PolarHBondContact O-N 3.03Å; F214-G216 VanDerWaalsContact C-N 3.33Å; G216-L218 PolarHBondContact O-N 3.27Å
217L84.7Confident86.6Confident126 Ų12672.3 Ų72.366%0.6639%0.39SS*.THydrogen-bonded Turntrans-74.6-13.4173.1-62171.9000113.3N213 F214 F215 P219N213-L217 WeakPolarHBondContact O-CG 3.49Å; N213-L217 PolarHBondContact O-N 3.32Å; F214-L217 WeakPolarHBondContact O-CB 3.27Å; F214-L217 PolarHBondContact O-N 2.93Å; F215-L217 PolarHBondContact O-N 3.18Å; L217-P219 WeakPolarHBondContact O-CD 3.32Å
218L88.7Confident87.7Confident36 Ų3667.2 Ų67.219%0.18836%0.357CS..  trans-123.171.6-172.8-55.4177.6000110.9F214 F215 G216 F220 H221 I312F214-L218 HydrophobicContact CE1-CD1 4.01Å; F214-L218 HydrophobicContact CZ-CD1 4.13Å; F215-L218 CarbonylContact O-C 3.17Å; F215-L218 PolarHBondContact O-N 2.77Å; G216-L218 PolarHBondContact O-N 3.27Å; L218-F220 PolarHBondContact O-N 2.89Å; L218-H221 HydrophobicContact CB-CB 3.87Å; L218-H221 PolarHBondContact O-N 3.07Å; L218-H221 VanDerWaalsContact O-N 3.14Å; L218-H221 PolarHBondContact O-ND1 2.8Å; L218-I312 HydrophobicContact CD1-CD1 4.45Å; L218-I312 HydrophobicContact CD1-CG1 4.46Å; L218-I312 HydrophobicContact CD2-CG2 4.04Å
219P88Confident88.6Confident40 Ų4060.2 Ų60.226%0.2633%0.328SS..THydrogen-bonded Turntrans-64.5-15.2-171.723.7-33.6000114.8L217 G234 R236L217-P219 WeakPolarHBondContact O-CD 3.32Å; P219-G234 CarbonylContact O-C 3.59Å; P219-G234 VanDerWaalsContact O-CA 3.24Å; P219-G234 WeakPolarHBondContact O-CA 3.49Å; P219-R236 HydrophobicContact CB-CB 4.16Å; P219-R236 PolarHBondContact O-N 2.69Å
220F91.1Very high89.4Confident7 Ų754.5 Ų54.53%0.03130%0.298CS..THydrogen-bonded Turntrans-119.828.3178.6-59.1-87.1000113.3L218 R236 L237 F240 L296 P315 L328L218-F220 PolarHBondContact O-N 2.89Å; F220-R236 HydrophobicContact CD1-CB 4.44Å; F220-R236 HydrophobicContact CE1-CB 3.96Å; F220-R236 HydrophobicContact CE1-CG 3.67Å; F220-R236 HydrophobicContact CE2-CB 4.44Å; F220-R236 HydrophobicContact CE2-CG 4.38Å; F220-R236 HydrophobicContact CZ-CB 3.96Å; F220-R236 HydrophobicContact CZ-CG 3.53Å; F220-L237 HydrophobicContact CB-CD1 4.29Å; F220-L237 HydrophobicContact CB-CG 4.32Å; F220-L237 HydrophobicContact CD1-CD2 3.85Å; F220-L237 HydrophobicContact CD1-CG 3.94Å; F220-F240 HydrophobicContact CE1-CE2 4.33Å; F220-L296 HydrophobicContact CD1-CD2 3.89Å; F220-L296 HydrophobicContact CG-CD2 4.46Å; F220-P315 HydrophobicContact CE1-CG 4.32Å; F220-P315 HydrophobicContact CE2-CG 4.2Å; F220-P315 HydrophobicContact CZ-CG 3.94Å; F220-L328 HydrophobicContact CZ-CD2 4.31Å
221H93.3Very high89.8Confident5 Ų555.5 Ų55.52%0.02330%0.297CS..  trans-76.1158.1176.876.7-86.6000112.8F215 L218 S232 A233 G234 L237 L310 F311F215-H221 AromaticContact CD1-CD2 3.56Å; F215-H221 AromaticContact CD1-CE1 3.51Å; F215-H221 AromaticContact CD1-CG 3.85Å; F215-H221 AromaticContact CD1-ND1 3.79Å; F215-H221 AromaticContact CD1-NE2 3.36Å; F215-H221 WeakPolarHBondContact CD1-NE2 3.16Å; F215-H221 AromaticContact CE1-CD2 3.82Å; F215-H221 AromaticContact CE1-NE2 3.87Å; F215-H221 AromaticContact CG-CE1 3.75Å; F215-H221 AromaticContact CG-NE2 3.81Å; L218-H221 HydrophobicContact CB-CB 3.87Å; L218-H221 PolarHBondContact O-N 3.07Å; L218-H221 VanDerWaalsContact O-N 3.14Å; L218-H221 PolarHBondContact O-ND1 2.8Å; H221-S232 PolarHBondContact NE2-OG 3.01Å; H221-A233 VanDerWaalsContact CE1-C 3.49Å; H221-A233 CarbonylContact O-C 3.53Å; H221-A233 WeakPolarHBondContact O-CA 3.37Å; H221-G234 WeakPolarHBondContact CE1-CA 3.38Å; H221-G234 PolarHBondContact CE1-N 3.28Å; H221-G234 VanDerWaalsContact CE1-N 3.32Å; H221-G234 VanDerWaalsContact ND1-CA 3.32Å; H221-G234 WeakPolarHBondContact ND1-CA 3.2Å; H221-G234 PolarHBondContact ND1-N 3.48Å; H221-G234 PolarHBondContact O-N 3.36Å; H221-L237 WeakPolarHBondContact O-CD1 3.22Å; H221-L310 HydrophobicContact CB-CD1 4.34Å; H221-F311 CarbonylContact C-O 3.37Å; H221-F311 WeakPolarHBondContact CA-O 3.47Å; H221-F311 WeakPolarHBondContact CB-O 3.47Å
222L94.7Very high90.3Very high0 Ų053.2 Ų53.20%028%0.281CS..EExtended strand (participates in β ladder)trans-132.9138.1163.2-58.8164.8000109.2I224 I230 S232 A233 L237 F249 F253 I277 L310 F311L222-I224 HydrophobicContact CB-CD1 4.26Å; L222-I224 HydrophobicContact CB-CG1 4.14Å; L222-I230 HydrophobicContact CD2-CG2 4.22Å; L222-S232 CarbonylContact C-O 3.59Å; L222-S232 WeakPolarHBondContact CA-O 3.3Å; L222-A233 HydrophobicContact CD2-CB 3.81Å; L222-L237 HydrophobicContact CD2-CD1 3.84Å; L222-L237 HydrophobicContact CG-CD1 4.08Å; L222-F249 HydrophobicContact CD1-CD2 4.44Å; L222-F249 HydrophobicContact CD1-CE2 4.02Å; L222-F253 HydrophobicContact CD1-CD2 4.35Å; L222-F253 HydrophobicContact CD1-CE1 4.01Å; L222-F253 HydrophobicContact CD1-CE2 3.82Å; L222-F253 HydrophobicContact CD1-CZ 3.63Å; L222-F253 HydrophobicContact CD2-CE2 4.12Å; L222-F253 HydrophobicContact CD2-CZ 3.97Å; L222-F253 HydrophobicContact CG-CZ 4.39Å; L222-I277 HydrophobicContact CD1-CD1 3.94Å; L222-L310 CarbonylContact O-C 3.21Å; L222-L310 WeakPolarHBondContact O-CA 3.28Å; L222-F311 HydrophobicContact CB-CB 3.93Å; L222-F311 HydrophobicContact CD1-CB 4.45Å; L222-F311 HydrophobicContact CD1-CD1 4.12Å; L222-F311 HydrophobicContact CG-CB 4.48Å; L222-F311 HydrophobicContact CG-CD1 4.25Å; L222-F311 PolarHBondContact N-O 2.95Å; L222-F311 PolarHBondContact O-N 3.04Å
223L94Very high90.9Very high21 Ų2146 Ų4611%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-108.5117.7169.2-162.785000107.5I230 Q231 S232 W306 M308 L309 L310L223-I230 CarbonylContact O-C 3.56Å; L223-Q231 HydrophobicContact CB-CB 4.49Å; L223-Q231 HydrophobicContact CD2-CB 4.04Å; L223-Q231 PolarHBondContact O-N 2.94Å; L223-S232 PolarHBondContact N-O 3.5Å; L223-S232 PolarHBondContact O-N 3.33Å; L223-W306 HydrophobicContact CD1-CE3 3.71Å; L223-W306 HydrophobicContact CD1-CZ3 3.98Å; L223-M308 HydrophobicContact CD1-CB 4.33Å; L223-M308 HydrophobicContact CD1-SD 4.38Å; L223-M308 HydrophobicContact CD2-SD 3.28Å; L223-M308 WeakPolarHBondContact CD2-SD 3.48Å; L223-M308 HydrophobicContact CG-CB 4.2Å; L223-M308 HydrophobicContact CG-SD 3.6Å; L223-M308 VanDerWaalsContact CG-SD 3.6Å; L223-L309 WeakPolarHBondContact CA-O 3.35Å; L223-L310 HydrophobicContact CD1-CD1 4.23Å
224I94.5Very high91.2Very high2 Ų240.7 Ų40.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-123.5128.1-171.8-55.5166.4000108.8L222 L228 M229 I230 F249 M308 L309L222-I224 HydrophobicContact CB-CD1 4.26Å; L222-I224 HydrophobicContact CB-CG1 4.14Å; I224-L228 HydrophobicContact CG2-CB 4.34Å; I224-L228 HydrophobicContact CG2-CD2 3.94Å; I224-M229 WeakPolarHBondContact CA-O 3.4Å; I224-I230 HydrophobicContact CG1-CG1 4.5Å; I224-F249 HydrophobicContact CD1-CD2 3.46Å; I224-F249 VanDerWaalsContact CD1-CD2 3.46Å; I224-F249 HydrophobicContact CD1-CE2 3.75Å; I224-F249 HydrophobicContact CD1-CG 4.13Å; I224-F249 HydrophobicContact CG1-CD2 4.33Å; I224-M308 CarbonylContact O-C 3.58Å; I224-M308 WeakPolarHBondContact O-CA 3.46Å; I224-M308 WeakPolarHBondContact O-CB 3.4Å; I224-L309 HydrophobicContact CB-CB 4.23Å; I224-L309 PolarHBondContact N-O 3.48Å; I224-L309 PolarHBondContact O-N 3.4Å
225D93.1Very high91.3Very high22 Ų2243.3 Ų43.312%0.11823%0.234CC..  trans-81.8179.9178.972.318000113.7N227 L228 M229 Q231 F264 M308D225-N227 PolarHBondContact O-N 3.39Å; D225-N227 WeakPolarHBondContact OD1-CA 3.25Å; D225-N227 WeakPolarHBondContact OD1-CB 3.5Å; D225-N227 PolarHBondContact OD1-N 3.14Å; D225-L228 PolarHBondContact O-N 3.21Å; D225-L228 PolarHBondContact OD1-N 3.03Å; D225-L228 VanDerWaalsContact OD1-N 3.11Å; D225-M229 PolarHBondContact N-O 2.81Å; D225-M229 WeakPolarHBondContact OD1-CB 3.48Å; D225-M229 PolarHBondContact OD1-N 3.33Å; D225-M229 WeakPolarHBondContact OD2-CB 3.27Å; D225-Q231 HydrophobicContact CB-CG 4.1Å; D225-Q231 PolarHBondContact OD2-NE2 3.48Å; D225-F264 WeakPolarHBondContact O-CD2 3.35Å; D225-F264 WeakPolarHBondContact O-CE2 3.43Å; D225-M308 HydrophobicContact CB-CE 4.37Å; D225-M308 HydrophobicContact CB-CG 4.29Å
226K91.6Very high91.2Very high147 Ų14743.6 Ų43.664%0.63923%0.233SC*.THydrogen-bonded Turntrans-59.6-24177.664.2177-177.9178.60114.4L228 F264K226-L228 VanDerWaalsContact C-N 3.28Å; K226-F264 HydrophobicContact CB-CE2 4.42Å; K226-F264 HydrophobicContact CB-CZ 4.46Å
227N92.1Very high91.4Very high101 Ų10140.7 Ų40.754%0.5420%0.203SC..THydrogen-bonded Turntrans-90.43.1178-63.3-20.2000111.8D225 M229D225-N227 PolarHBondContact O-N 3.39Å; D225-N227 WeakPolarHBondContact OD1-CA 3.25Å; D225-N227 WeakPolarHBondContact OD1-CB 3.5Å; D225-N227 PolarHBondContact OD1-N 3.14Å; N227-M229 VanDerWaalsContact C-N 3.26Å; N227-M229 HydrophobicContact CB-CG 4.22Å; N227-M229 PolarHBondContact O-N 3.12Å
228L93Very high91.6Very high11 Ų1136.3 Ų36.36%0.05818%0.181CC..  trans65.626.4-174.5-58.3168.8000113.5I224 D225 K226 F249 P262 F264 I267I224-L228 HydrophobicContact CG2-CB 4.34Å; I224-L228 HydrophobicContact CG2-CD2 3.94Å; D225-L228 PolarHBondContact O-N 3.21Å; D225-L228 PolarHBondContact OD1-N 3.03Å; D225-L228 VanDerWaalsContact OD1-N 3.11Å; K226-L228 VanDerWaalsContact C-N 3.28Å; L228-F249 HydrophobicContact CB-CB 4.38Å; L228-F249 VanDerWaalsContact O-CB 3.23Å; L228-F249 WeakPolarHBondContact O-CB 3.49Å; L228-F249 PolarHBondContact O-N 3.33Å; L228-P262 WeakPolarHBondContact CD1-O 3.25Å; L228-F264 HydrophobicContact CD2-CB 4.27Å; L228-F264 HydrophobicContact CD2-CD2 4.19Å; L228-F264 HydrophobicContact CG-CB 4.48Å; L228-I267 HydrophobicContact CD2-CD1 3.99Å
229M94.5Very high91.5Very high48 Ų4838.8 Ų38.824%0.23619%0.191CC..BIsolated β-bridgetrans-85.4137.7170.4-61.2-69.7-70.800110.5I224 D225 N227 Q231 N246 T247 M248I224-M229 WeakPolarHBondContact CA-O 3.4Å; D225-M229 PolarHBondContact N-O 2.81Å; D225-M229 WeakPolarHBondContact OD1-CB 3.48Å; D225-M229 PolarHBondContact OD1-N 3.33Å; D225-M229 WeakPolarHBondContact OD2-CB 3.27Å; N227-M229 VanDerWaalsContact C-N 3.26Å; N227-M229 HydrophobicContact CB-CG 4.22Å; N227-M229 PolarHBondContact O-N 3.12Å; M229-Q231 PolarHBondContact O-N 3.15Å; M229-N246 VanDerWaalsContact CE-C 3.44Å; M229-N246 WeakPolarHBondContact CE-O 3.39Å; M229-T247 WeakPolarHBondContact CA-O 3.3Å; M229-M248 HydrophobicContact CG-SD 4.11Å; M229-M248 HydrophobicContact SD-CB 4.38Å; M229-M248 HydrophobicContact SD-CG 3.57Å; M229-M248 VanDerWaalsContact SD-CG 3.57Å; M229-M248 HydrophobicContact SD-SD 3.28Å
230I95.2Very high91.4Very high0 Ų038.5 Ų38.50%019%0.186CC..EExtended strand (participates in β ladder)trans-81.2112.3177.1-59167.1000109.1L222 L223 I224 A233 L244 N246 T247 F249 F253L222-I230 HydrophobicContact CD2-CG2 4.22Å; L223-I230 CarbonylContact O-C 3.56Å; I224-I230 HydrophobicContact CG1-CG1 4.5Å; I230-A233 HydrophobicContact CG2-CB 4.41Å; I230-L244 WeakPolarHBondContact CB-O 3.36Å; I230-L244 HydrophobicContact CD1-CD2 4.21Å; I230-N246 PolarHBondContact O-N 2.85Å; I230-T247 PolarHBondContact N-O 2.77Å; I230-F249 HydrophobicContact CG1-CB 4.34Å; I230-F253 HydrophobicContact CD1-CD2 4.03Å; I230-F253 HydrophobicContact CD1-CE2 3.73Å
231Q92.5Very high91.2Very high74 Ų7438.7 Ų38.735%0.34619%0.187SC..EExtended strand (participates in β ladder)trans-90.9-32.7-179.2-65.3-64.4-26.900112.4L223 D225 M229 M308L223-Q231 HydrophobicContact CB-CB 4.49Å; L223-Q231 HydrophobicContact CD2-CB 4.04Å; L223-Q231 PolarHBondContact O-N 2.94Å; D225-Q231 HydrophobicContact CB-CG 4.1Å; D225-Q231 PolarHBondContact OD2-NE2 3.48Å; M229-Q231 PolarHBondContact O-N 3.15Å; Q231-M308 HydrophobicContact CB-SD 4.34Å; Q231-M308 HydrophobicContact CG-CE 3.94Å; Q231-M308 HydrophobicContact CG-SD 4.15Å
232S92.2Very high90.9Very high31 Ų3142.1 Ų42.122%0.21721%0.21CC..EExtended strand (participates in β ladder)trans-146.8148.5176.8-177.20000109.8H221 L222 L223H221-S232 PolarHBondContact NE2-OG 3.01Å; L222-S232 CarbonylContact C-O 3.59Å; L222-S232 WeakPolarHBondContact CA-O 3.3Å; L223-S232 PolarHBondContact N-O 3.5Å; L223-S232 PolarHBondContact O-N 3.33Å
233A93Very high90.6Very high7 Ų745.8 Ų45.86%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-138.4149.7174.200000110H221 L222 I230 L238 L244H221-A233 VanDerWaalsContact CE1-C 3.49Å; H221-A233 CarbonylContact O-C 3.53Å; H221-A233 WeakPolarHBondContact O-CA 3.37Å; L222-A233 HydrophobicContact CD2-CB 3.81Å; I230-A233 HydrophobicContact CG2-CB 4.41Å; A233-L238 HydrophobicContact CB-CD2 3.95Å; A233-L238 HydrophobicContact CB-CG 4.08Å; A233-L244 HydrophobicContact CB-CB 4.49Å; A233-L244 HydrophobicContact CB-CD1 4.38Å
234G91.2Very high90.4Very high0 Ų044.8 Ų44.80%023%0.227CC..  trans-63.2147.117600000112.3P219 H221 R236 L237 L238P219-G234 CarbonylContact O-C 3.59Å; P219-G234 VanDerWaalsContact O-CA 3.24Å; P219-G234 WeakPolarHBondContact O-CA 3.49Å; H221-G234 WeakPolarHBondContact CE1-CA 3.38Å; H221-G234 PolarHBondContact CE1-N 3.28Å; H221-G234 VanDerWaalsContact CE1-N 3.32Å; H221-G234 VanDerWaalsContact ND1-CA 3.32Å; H221-G234 WeakPolarHBondContact ND1-CA 3.2Å; H221-G234 PolarHBondContact ND1-N 3.48Å; H221-G234 PolarHBondContact O-N 3.36Å; G234-R236 PolarHBondContact O-N 3.48Å; G234-R236 VanDerWaalsContact O-N 3.13Å; G234-L237 WeakPolarHBondContact O-CB 3.37Å; G234-L237 PolarHBondContact O-N 3.43Å; G234-L238 PolarHBondContact O-N 3.19Å; G234-L238 VanDerWaalsContact O-N 3.12Å
235Q88.1Confident90.3Very high128 Ų12848.3 Ų48.360%0.59825%0.245SC*.Hα-helixtrans-50-42.9-176.1-177.161.921.100112.6L237 L238 E239Q235-L237 PolarHBondContact O-N 2.99Å; Q235-L238 PolarHBondContact O-N 3.46Å; Q235-E239 WeakPolarHBondContact O-CG 3.31Å; Q235-E239 PolarHBondContact O-N 3.25Å; Q235-E239 VanDerWaalsContact O-N 3.1Å
236R85.4Confident90.2Very high48 Ų4852.3 Ų52.318%0.18127%0.267CS..Hα-helixtrans-72.6-28.8-177.6-167.155.4-178.2-171.4-0.3112.8P219 F220 G234 E239 F240 G327 L328 D332P219-R236 HydrophobicContact CB-CB 4.16Å; P219-R236 PolarHBondContact O-N 2.69Å; F220-R236 HydrophobicContact CD1-CB 4.44Å; F220-R236 HydrophobicContact CE1-CB 3.96Å; F220-R236 HydrophobicContact CE1-CG 3.67Å; F220-R236 HydrophobicContact CE2-CB 4.44Å; F220-R236 HydrophobicContact CE2-CG 4.38Å; F220-R236 HydrophobicContact CZ-CB 3.96Å; F220-R236 HydrophobicContact CZ-CG 3.53Å; G234-R236 PolarHBondContact O-N 3.48Å; G234-R236 VanDerWaalsContact O-N 3.13Å; R236-E239 WeakPolarHBondContact CD-OE2 3.25Å; R236-E239 IonicContact CZ-OE2 3.76Å; R236-E239 IonicContact NE-OE2 3.76Å; R236-E239 IonicContact NH1-OE2 3.02Å; R236-E239 PolarHBondContact NH1-OE2 2.98Å; R236-F240 HydrophobicContact CG-CE2 4.11Å; R236-F240 WeakPolarHBondContact O-CD2 3.15Å; R236-F240 PolarHBondContact O-N 3.14Å; R236-G327 PolarHBondContact NH2-O 2.86Å; R236-L328 HydrophobicContact CG-CD2 4.16Å; R236-D332 IonicContact NH2-OD2 2.85Å
237L89.6Confident90.3Very high0 Ų046.5 Ų46.50%024%0.243CC..Hα-helixtrans-69.5-37171.8-71172.7000112F220 H221 L222 G234 Q235 E239 F240 Q241 L244 L279 L296F220-L237 HydrophobicContact CB-CD1 4.29Å; F220-L237 HydrophobicContact CB-CG 4.32Å; F220-L237 HydrophobicContact CD1-CD2 3.85Å; F220-L237 HydrophobicContact CD1-CG 3.94Å; H221-L237 WeakPolarHBondContact O-CD1 3.22Å; L222-L237 HydrophobicContact CD2-CD1 3.84Å; L222-L237 HydrophobicContact CG-CD1 4.08Å; G234-L237 WeakPolarHBondContact O-CB 3.37Å; G234-L237 PolarHBondContact O-N 3.43Å; Q235-L237 PolarHBondContact O-N 2.99Å; L237-E239 VanDerWaalsContact C-N 3.32Å; L237-F240 WeakPolarHBondContact O-CB 3.49Å; L237-F240 PolarHBondContact O-N 2.89Å; L237-Q241 PolarHBondContact O-N 2.92Å; L237-L244 HydrophobicContact CB-CD1 3.99Å; L237-L279 HydrophobicContact CD2-CD2 3.97Å; L237-L296 HydrophobicContact CD1-CD1 4.32Å; L237-L296 HydrophobicContact CD2-CD1 3.59Å; L237-L296 HydrophobicContact CD2-CD2 4.19Å; L237-L296 HydrophobicContact CD2-CG 4.48Å
238L89.2Confident90.4Very high34 Ų3445.1 Ų45.118%0.17823%0.234CC..Hα-helixtrans-66.9-33.3176.3-66.7172.4000112.3A233 G234 Q235 F240 Q241 P242 L244 I245A233-L238 HydrophobicContact CB-CD2 3.95Å; A233-L238 HydrophobicContact CB-CG 4.08Å; G234-L238 PolarHBondContact O-N 3.19Å; G234-L238 VanDerWaalsContact O-N 3.12Å; Q235-L238 PolarHBondContact O-N 3.46Å; L238-F240 VanDerWaalsContact C-N 3.31Å; L238-F240 PolarHBondContact O-N 3.3Å; L238-Q241 CarbonylContact O-C 3.57Å; L238-Q241 PolarHBondContact O-N 2.79Å; L238-P242 WeakPolarHBondContact O-CA 3.39Å; L238-P242 WeakPolarHBondContact O-CD 3.39Å; L238-P242 WeakPolarHBondContact O-CG 3.32Å; L238-L244 HydrophobicContact CD2-CB 4.25Å; L238-I245 HydrophobicContact CD1-CD1 4.2Å; L238-I245 HydrophobicContact CD2-CD1 3.94Å; L238-I245 HydrophobicContact CD2-CG1 3.84Å
239E85.9Confident90.4Very high89 Ų8944.6 Ų44.642%0.41623%0.232SC..Hα-helixtrans-64.5-38.1174.4-73170-163.600112.3Q235 R236 L237Q235-E239 WeakPolarHBondContact O-CG 3.31Å; Q235-E239 PolarHBondContact O-N 3.25Å; Q235-E239 VanDerWaalsContact O-N 3.1Å; R236-E239 WeakPolarHBondContact CD-OE2 3.25Å; R236-E239 IonicContact CZ-OE2 3.76Å; R236-E239 IonicContact NE-OE2 3.76Å; R236-E239 IonicContact NH1-OE2 3.02Å; R236-E239 PolarHBondContact NH1-OE2 2.98Å; L237-E239 VanDerWaalsContact C-N 3.32Å
240F84.7Confident90.2Very high34 Ų3445.1 Ų45.115%0.14923%0.233CC..Hα-helixtrans-69.3-50.5173-78.4-62.5000112.2F220 R236 L237 L238 L279 M281 L294 F326 L328F220-F240 HydrophobicContact CE1-CE2 4.33Å; R236-F240 HydrophobicContact CG-CE2 4.11Å; R236-F240 WeakPolarHBondContact O-CD2 3.15Å; R236-F240 PolarHBondContact O-N 3.14Å; L237-F240 WeakPolarHBondContact O-CB 3.49Å; L237-F240 PolarHBondContact O-N 2.89Å; L238-F240 VanDerWaalsContact C-N 3.31Å; L238-F240 PolarHBondContact O-N 3.3Å; F240-L279 HydrophobicContact CB-CD2 4.31Å; F240-M281 HydrophobicContact CB-CE 3.52Å; F240-M281 HydrophobicContact CB-SD 3.75Å; F240-M281 HydrophobicContact CD1-CE 3.62Å; F240-M281 HydrophobicContact CD1-SD 4.18Å; F240-M281 HydrophobicContact CD2-CE 4.22Å; F240-M281 HydrophobicContact CE1-CE 4.41Å; F240-M281 HydrophobicContact CG-CE 3.53Å; F240-M281 HydrophobicContact CG-SD 4.25Å; F240-L294 HydrophobicContact CD2-CD2 3.81Å; F240-L294 HydrophobicContact CE2-CD2 3.72Å; F240-L294 HydrophobicContact CG-CD2 4.37Å; F240-L294 HydrophobicContact CZ-CD2 4.2Å; F240-F326 HydrophobicContact CE1-CB 4.27Å; F240-F326 HydrophobicContact CE1-CD1 4.39Å; F240-F326 WeakPolarHBondContact CE1-O 3.44Å; F240-F326 HydrophobicContact CZ-CB 4.27Å; F240-F326 WeakPolarHBondContact CZ-O 3.35Å; F240-L328 HydrophobicContact CE2-CD1 4.37Å; F240-L328 HydrophobicContact CE2-CD2 4.09Å; F240-L328 HydrophobicContact CE2-CG 4.44Å; F240-L328 HydrophobicContact CZ-CD1 3.94Å; F240-L328 HydrophobicContact CZ-CD2 3.96Å; F240-L328 HydrophobicContact CZ-CG 3.88Å
241Q87.4Confident89.9Confident10 Ų1050.6 Ų50.65%0.04726%0.259CS..  trans-134.997.8179.1-17360.8-59.500111L237 L238 T243 L244 L279 D282L237-Q241 PolarHBondContact O-N 2.92Å; L238-Q241 CarbonylContact O-C 3.57Å; L238-Q241 PolarHBondContact O-N 2.79Å; Q241-T243 PolarHBondContact O-N 3.15Å; Q241-L244 HydrophobicContact CB-CD1 4.16Å; Q241-L244 HydrophobicContact CB-CD2 4.29Å; Q241-L244 HydrophobicContact CB-CG 3.9Å; Q241-L244 HydrophobicContact CG-CD2 4.05Å; Q241-L244 HydrophobicContact CG-CG 3.94Å; Q241-L244 WeakPolarHBondContact O-CD1 3.38Å; Q241-L244 VanDerWaalsContact O-CG 3.22Å; Q241-L244 WeakPolarHBondContact O-CG 3.34Å; Q241-L244 PolarHBondContact O-N 2.65Å; Q241-L279 HydrophobicContact CB-CD1 4.46Å; Q241-D282 PolarHBondContact NE2-OD2 2.95Å
242P86.6Confident89.8Confident77 Ų7748.4 Ų48.450%0.525%0.249SC..G310 helixtrans-67-21.5-177.5-23.433.5000114.1L238 L244L238-P242 WeakPolarHBondContact O-CA 3.39Å; L238-P242 WeakPolarHBondContact O-CD 3.39Å; L238-P242 WeakPolarHBondContact O-CG 3.32Å; P242-L244 VanDerWaalsContact C-N 3.26Å; P242-L244 PolarHBondContact O-N 3.28Å
243T88.5Confident89.9Confident78 Ų7847.1 Ų47.148%0.47924%0.24SC..G310 helixtrans-82.46.1-175.763.70000114Q241 I245 T247Q241-T243 PolarHBondContact O-N 3.15Å; T243-I245 PolarHBondContact O-N 3.48Å; T243-T247 WeakPolarHBondContact O-CG2 3.48Å
244L90.5Very high89.8Confident0 Ų050 Ų500%026%0.256CS..G310 helixtrans-64.8-35.1-172.8-74173.7000114I230 A233 L237 L238 Q241 P242 T247 H252 F253 L279I230-L244 WeakPolarHBondContact CB-O 3.36Å; I230-L244 HydrophobicContact CD1-CD2 4.21Å; A233-L244 HydrophobicContact CB-CB 4.49Å; A233-L244 HydrophobicContact CB-CD1 4.38Å; L237-L244 HydrophobicContact CB-CD1 3.99Å; L238-L244 HydrophobicContact CD2-CB 4.25Å; Q241-L244 HydrophobicContact CB-CD1 4.16Å; Q241-L244 HydrophobicContact CB-CD2 4.29Å; Q241-L244 HydrophobicContact CB-CG 3.9Å; Q241-L244 HydrophobicContact CG-CD2 4.05Å; Q241-L244 HydrophobicContact CG-CG 3.94Å; Q241-L244 WeakPolarHBondContact O-CD1 3.38Å; Q241-L244 VanDerWaalsContact O-CG 3.22Å; Q241-L244 WeakPolarHBondContact O-CG 3.34Å; Q241-L244 PolarHBondContact O-N 2.65Å; P242-L244 VanDerWaalsContact C-N 3.26Å; P242-L244 PolarHBondContact O-N 3.28Å; L244-T247 PolarHBondContact O-N 2.86Å; L244-T247 PolarHBondContact O-OG1 2.71Å; L244-H252 HydrophobicContact CD2-CB 3.67Å; L244-F253 HydrophobicContact CD1-CZ 4.35Å; L244-F253 HydrophobicContact CD2-CE2 3.63Å; L244-F253 HydrophobicContact CD2-CZ 4.1Å; L244-L279 HydrophobicContact CD2-CD1 4.1Å
245I92.2Very high89.7Confident76 Ų7650.9 Ų50.939%0.3926%0.261SS..THydrogen-bonded Turntrans-69.5137.1-174.6-57172.9000109.6L238 T243 T247L238-I245 HydrophobicContact CD1-CD1 4.2Å; L238-I245 HydrophobicContact CD2-CD1 3.94Å; L238-I245 HydrophobicContact CD2-CG1 3.84Å; T243-I245 PolarHBondContact O-N 3.48Å; I245-T247 VanDerWaalsContact C-N 3.26Å; I245-T247 PolarHBondContact O-N 2.79Å
246N91.2Very high89.6Confident106 Ų10647.4 Ų47.457%0.56725%0.245SC*.THydrogen-bonded Turntrans61.627.8-177.9-57.8-38.2000114.6M229 I230M229-N246 VanDerWaalsContact CE-C 3.44Å; M229-N246 WeakPolarHBondContact CE-O 3.39Å; I230-N246 PolarHBondContact O-N 2.85Å
247T93.8Very high89.4Confident25 Ų2547.5 Ų47.515%0.15325%0.249CC..SBendtrans-112.5160.6171.2610000111.5M229 I230 T243 L244 I245 H252M229-T247 WeakPolarHBondContact CA-O 3.3Å; I230-T247 PolarHBondContact N-O 2.77Å; T243-T247 WeakPolarHBondContact O-CG2 3.48Å; L244-T247 PolarHBondContact O-N 2.86Å; L244-T247 PolarHBondContact O-OG1 2.71Å; I245-T247 VanDerWaalsContact C-N 3.26Å; I245-T247 PolarHBondContact O-N 2.79Å; T247-H252 PolarHBondContact OG1-CD2 3.1Å; T247-H252 VanDerWaalsContact OG1-CD2 3.27Å
248M93.5Very high89Confident71 Ų7148.1 Ų48.135%0.3525%0.253SS..BIsolated β-bridgetrans-72.2131.3175.2-71.7-76-80.100109.2M229 Q250 E251M229-M248 HydrophobicContact CG-SD 4.11Å; M229-M248 HydrophobicContact SD-CB 4.38Å; M229-M248 HydrophobicContact SD-CG 3.57Å; M229-M248 VanDerWaalsContact SD-CG 3.57Å; M229-M248 HydrophobicContact SD-SD 3.28Å; M248-Q250 PolarHBondContact O-N 2.79Å; M248-E251 HydrophobicContact CB-CG 3.97Å; M248-E251 PolarHBondContact N-OE2 3.19Å; M248-E251 WeakPolarHBondContact O-CB 3.5Å; M248-E251 PolarHBondContact O-N 2.79Å
249F93Very high88.5Confident0 Ų051.8 Ų51.80%027%0.271CS..Hα-helixtrans-51.4-37.7-178.7173.4-97.8000112.8L222 I224 L228 I230 E251 F253 I255 I277 M300L222-F249 HydrophobicContact CD1-CD2 4.44Å; L222-F249 HydrophobicContact CD1-CE2 4.02Å; I224-F249 HydrophobicContact CD1-CD2 3.46Å; I224-F249 VanDerWaalsContact CD1-CD2 3.46Å; I224-F249 HydrophobicContact CD1-CE2 3.75Å; I224-F249 HydrophobicContact CD1-CG 4.13Å; I224-F249 HydrophobicContact CG1-CD2 4.33Å; L228-F249 HydrophobicContact CB-CB 4.38Å; L228-F249 VanDerWaalsContact O-CB 3.23Å; L228-F249 WeakPolarHBondContact O-CB 3.49Å; L228-F249 PolarHBondContact O-N 3.33Å; I230-F249 HydrophobicContact CG1-CB 4.34Å; F249-E251 VanDerWaalsContact C-N 3.29Å; F249-E251 PolarHBondContact O-N 2.92Å; F249-F253 HydrophobicContact CD1-CB 4.34Å; F249-F253 HydrophobicContact CD2-CB 3.94Å; F249-F253 AromaticContact CD2-CD2 3.68Å; F249-F253 HydrophobicContact CD2-CD2 3.68Å; F249-F253 HydrophobicContact CD2-CE2 4.48Å; F249-F253 HydrophobicContact CD2-CG 4.02Å; F249-F253 HydrophobicContact CE1-CB 3.93Å; F249-F253 HydrophobicContact CE2-CB 3.49Å; F249-F253 VanDerWaalsContact CE2-CB 3.49Å; F249-F253 HydrophobicContact CE2-CD1 4.36Å; F249-F253 AromaticContact CE2-CD2 3.73Å; F249-F253 HydrophobicContact CE2-CD2 3.73Å; F249-F253 AromaticContact CE2-CG 3.61Å; F249-F253 HydrophobicContact CE2-CG 3.61Å; F249-F253 HydrophobicContact CG-CB 4.35Å; F249-F253 HydrophobicContact CZ-CB 3.48Å; F249-F253 VanDerWaalsContact CZ-CB 3.48Å; F249-F253 HydrophobicContact CZ-CG 4.1Å; F249-F253 WeakPolarHBondContact O-CA 3.33Å; F249-F253 WeakPolarHBondContact O-CB 3.4Å; F249-F253 PolarHBondContact O-N 3.49Å; F249-I255 HydrophobicContact CE1-CD1 3.99Å; F249-I255 HydrophobicContact CE1-CG1 3.76Å; F249-I255 HydrophobicContact CZ-CG1 4.15Å; F249-I277 HydrophobicContact CE2-CD1 4.4Å; F249-I277 HydrophobicContact CZ-CG2 4.23Å; F249-M300 HydrophobicContact CE2-CE 4.21Å; F249-M300 HydrophobicContact CZ-CE 3.86Å
250Q90.7Very high88.2Confident59 Ų5949.2 Ų49.228%0.27626%0.26SS..Hα-helixtrans-71.5-18.8-177.7-5987.5-15.900114.4M248 P262M248-Q250 PolarHBondContact O-N 2.79Å; Q250-P262 HydrophobicContact CG-CB 3.96Å; Q250-P262 HydrophobicContact CG-CG 3.53Å; Q250-P262 PolarHBondContact NE2-O 2.82Å
251E89.3Confident88.1Confident116 Ų11655.3 Ų55.354%0.54229%0.286SS..Hα-helixtrans-67.1-45.1178.2-69.1172.9169.500109.9M248 F249M248-E251 HydrophobicContact CB-CG 3.97Å; M248-E251 PolarHBondContact N-OE2 3.19Å; M248-E251 WeakPolarHBondContact O-CB 3.5Å; M248-E251 PolarHBondContact O-N 2.79Å; F249-E251 VanDerWaalsContact C-N 3.29Å; F249-E251 PolarHBondContact O-N 2.92Å
252H90.3Very high87.8Confident27 Ų2757 Ų5713%0.12530%0.298CS..Hα-helixtrans-99.7-31.2-175.7-64.8-66.7000114.1L244 T247 L279 K280L244-H252 HydrophobicContact CD2-CB 3.67Å; T247-H252 PolarHBondContact OG1-CD2 3.1Å; T247-H252 VanDerWaalsContact OG1-CD2 3.27Å; H252-L279 HydrophobicContact CB-CD1 4.03Å; H252-K280 PolarHBondContact O-N 2.79Å
253F93.4Very high87.9Confident5 Ų558 Ų582%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-112.7140.5-173-64.4-86.6000113.6L222 I230 L244 F249 I277 G278 L279 L296L222-F253 HydrophobicContact CD1-CD2 4.35Å; L222-F253 HydrophobicContact CD1-CE1 4.01Å; L222-F253 HydrophobicContact CD1-CE2 3.82Å; L222-F253 HydrophobicContact CD1-CZ 3.63Å; L222-F253 HydrophobicContact CD2-CE2 4.12Å; L222-F253 HydrophobicContact CD2-CZ 3.97Å; L222-F253 HydrophobicContact CG-CZ 4.39Å; I230-F253 HydrophobicContact CD1-CD2 4.03Å; I230-F253 HydrophobicContact CD1-CE2 3.73Å; L244-F253 HydrophobicContact CD1-CZ 4.35Å; L244-F253 HydrophobicContact CD2-CE2 3.63Å; L244-F253 HydrophobicContact CD2-CZ 4.1Å; F249-F253 HydrophobicContact CD1-CB 4.34Å; F249-F253 HydrophobicContact CD2-CB 3.94Å; F249-F253 AromaticContact CD2-CD2 3.68Å; F249-F253 HydrophobicContact CD2-CD2 3.68Å; F249-F253 HydrophobicContact CD2-CE2 4.48Å; F249-F253 HydrophobicContact CD2-CG 4.02Å; F249-F253 HydrophobicContact CE1-CB 3.93Å; F249-F253 HydrophobicContact CE2-CB 3.49Å; F249-F253 VanDerWaalsContact CE2-CB 3.49Å; F249-F253 HydrophobicContact CE2-CD1 4.36Å; F249-F253 AromaticContact CE2-CD2 3.73Å; F249-F253 HydrophobicContact CE2-CD2 3.73Å; F249-F253 AromaticContact CE2-CG 3.61Å; F249-F253 HydrophobicContact CE2-CG 3.61Å; F249-F253 HydrophobicContact CG-CB 4.35Å; F249-F253 HydrophobicContact CZ-CB 3.48Å; F249-F253 VanDerWaalsContact CZ-CB 3.48Å; F249-F253 HydrophobicContact CZ-CG 4.1Å; F249-F253 WeakPolarHBondContact O-CA 3.33Å; F249-F253 WeakPolarHBondContact O-CB 3.4Å; F249-F253 PolarHBondContact O-N 3.49Å; F253-I277 HydrophobicContact CD1-CB 4.47Å; F253-I277 HydrophobicContact CD1-CD1 3.84Å; F253-I277 HydrophobicContact CD1-CG1 4.21Å; F253-I277 HydrophobicContact CE1-CD1 4.05Å; F253-G278 CarbonylContact C-O 3.5Å; F253-G278 VanDerWaalsContact CA-O 3.29Å; F253-G278 WeakPolarHBondContact CA-O 3.29Å; F253-L279 HydrophobicContact CD1-CB 4Å; F253-L279 HydrophobicContact CD1-CD1 4.31Å; F253-L279 HydrophobicContact CE1-CB 3.64Å; F253-L279 HydrophobicContact CE1-CD1 3.85Å; F253-L279 HydrophobicContact CE1-CD2 4.38Å; F253-L279 HydrophobicContact CE1-CG 4.16Å; F253-L279 HydrophobicContact CE2-CD1 4.23Å; F253-L279 HydrophobicContact CZ-CB 4.39Å; F253-L279 HydrophobicContact CZ-CD1 3.79Å; F253-L279 HydrophobicContact CZ-CD2 4.43Å; F253-L279 HydrophobicContact CZ-CG 4.43Å; F253-L296 HydrophobicContact CE1-CD1 3.96Å
254V91.1Very high88Confident66 Ų6655.6 Ų55.640%0.428%0.282SS..EExtended strand (participates in β ladder)trans-115.8122169.8-177.70000109.3M256 I277 G278V254-M256 PolarHBondContact O-N 3.44Å; V254-I277 CarbonylContact O-C 3.59Å; V254-I277 WeakPolarHBondContact O-CA 3.48Å; V254-G278 PolarHBondContact N-O 2.92Å; V254-G278 PolarHBondContact O-N 3.34Å
255I90.1Very high87.9Confident20 Ų2061.3 Ų61.310%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-75.1109.7171.1-53.5-178.5000108F249 P258 M260 P262 I267 F275 I277F249-I255 HydrophobicContact CE1-CD1 3.99Å; F249-I255 HydrophobicContact CE1-CG1 3.76Å; F249-I255 HydrophobicContact CZ-CG1 4.15Å; I255-P258 WeakPolarHBondContact CG2-O 3.29Å; I255-M260 HydrophobicContact CG2-CG 4.27Å; I255-P262 HydrophobicContact CD1-CB 3.93Å; I255-I267 HydrophobicContact CD1-CD1 4Å; I255-I267 HydrophobicContact CD1-CG1 4.16Å; I255-F275 HydrophobicContact CG2-CD1 4.06Å; I255-F275 HydrophobicContact CG2-CE1 4.44Å; I255-I277 HydrophobicContact CG1-CG2 4.27Å
256M85.1Confident87.6Confident55 Ų5561.7 Ų61.727%0.27131%0.309SS..EExtended strand (participates in β ladder)trans-89.6-35.9175.8-65.6-162.7-59.700112.3V254 K276 Y295V254-M256 PolarHBondContact O-N 3.44Å; M256-K276 HydrophobicContact CE-CD 3.41Å; M256-K276 VanDerWaalsContact CE-CD 3.41Å; M256-K276 HydrophobicContact CE-CG 3.62Å; M256-K276 VanDerWaalsContact CE-NZ 3.33Å; M256-K276 PolarHBondContact N-O 2.98Å; M256-Y295 HydrophobicContact CE-CD1 3Å; M256-Y295 HydrophobicContact CE-CE1 3.11Å; M256-Y295 HydrophobicContact CE-CG 3.77Å; M256-Y295 HydrophobicContact SD-CD1 3.85Å; M256-Y295 HydrophobicContact SD-CE1 3.28Å; M256-Y295 WeakPolarHBondContact SD-CE1 3.49Å
257L82.3Confident87.4Confident50 Ų5056.7 Ų56.726%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-140.6140.5174.3-68.5171.2000109.6I259 F275 K276L257-I259 HydrophobicContact CD2-CG1 4.26Å; L257-F275 CarbonylContact O-C 3.57Å; L257-F275 VanDerWaalsContact O-CA 3.25Å; L257-F275 WeakPolarHBondContact O-CA 3.47Å; L257-K276 HydrophobicContact CB-CB 3.99Å; L257-K276 HydrophobicContact CD1-CB 4.44Å; L257-K276 PolarHBondContact N-O 3.32Å; L257-K276 VanDerWaalsContact N-O 3.15Å; L257-K276 PolarHBondContact O-N 3.45Å
258P80.8Confident87.1Confident12 Ų1258.2 Ų58.28%0.07829%0.288CS..SBendcis-60.7155.2-14.326.8-30.1000111.6I255 M260 F270 F275I255-P258 WeakPolarHBondContact CG2-O 3.29Å; P258-M260 HydrophobicContact CG-SD 3.76Å; P258-M260 PolarHBondContact O-N 3.34Å; P258-M260 VanDerWaalsContact O-N 3.15Å; P258-F270 HydrophobicContact CB-CD1 3.77Å; P258-F270 HydrophobicContact CB-CE1 3.66Å; P258-F270 HydrophobicContact CB-CG 4.32Å; P258-F270 HydrophobicContact CB-CZ 4.17Å; P258-F270 HydrophobicContact CG-CB 3.92Å; P258-F270 HydrophobicContact CG-CD1 3.48Å; P258-F270 VanDerWaalsContact CG-CD1 3.48Å; P258-F270 HydrophobicContact CG-CD2 4.09Å; P258-F270 HydrophobicContact CG-CE1 3.87Å; P258-F270 HydrophobicContact CG-CE2 4.46Å; P258-F270 HydrophobicContact CG-CG 3.58Å; P258-F270 HydrophobicContact CG-CZ 4.34Å; P258-F275 VanDerWaalsContact CD-CD1 3.48Å; P258-F275 HydrophobicContact CG-CD1 4.42Å; P258-F275 HydrophobicContact CG-CE1 4.04Å; P258-F275 HydrophobicContact CG-CZ 4.32Å
259I77.3Confident86.5Confident111 Ų11157.6 Ų57.657%0.56929%0.285SS*.  trans-76106.4-179-59171.7000107.5L257L257-I259 HydrophobicContact CD2-CG1 4.26Å
260M80.9Confident86Confident35 Ų3558.3 Ų58.317%0.17229%0.289CS..  trans-155161.1-173.965.7-171.9-59.300111.4I255 P258 R266 I267 F270 F275I255-M260 HydrophobicContact CG2-CG 4.27Å; P258-M260 HydrophobicContact CG-SD 3.76Å; P258-M260 PolarHBondContact O-N 3.34Å; P258-M260 VanDerWaalsContact O-N 3.15Å; M260-R266 HydrophobicContact CE-CB 3.45Å; M260-R266 VanDerWaalsContact CE-CB 3.45Å; M260-R266 WeakPolarHBondContact CE-O 3.4Å; M260-I267 HydrophobicContact CE-CB 4.49Å; M260-I267 HydrophobicContact CE-CG1 3.92Å; M260-I267 HydrophobicContact SD-CG1 4.33Å; M260-F270 HydrophobicContact CE-CD2 3.75Å; M260-F270 HydrophobicContact CE-CE2 4.02Å; M260-F270 HydrophobicContact SD-CD2 3.91Å; M260-F270 HydrophobicContact SD-CE2 4.25Å; M260-F275 HydrophobicContact SD-CE1 3.94Å
261K81.9Confident85.5Confident162 Ų16257.9 Ų57.970%0.70429%0.292SS*.  trans-72135.8163.6-66.6-175.3179.7-179.90108.8L263K261-L263 VanDerWaalsContact C-N 3.26Å; K261-L263 HydrophobicContact CB-CD1 4.34Å; K261-L263 HydrophobicContact CB-CG 4.44Å; K261-L263 PolarHBondContact O-N 2.91Å
262P82.1Confident85Confident47 Ų4754.2 Ų54.231%0.30528%0.279SS..  trans-76.278.5-179.732.1-35000110L228 Q250 I255L228-P262 WeakPolarHBondContact CD1-O 3.25Å; Q250-P262 HydrophobicContact CG-CB 3.96Å; Q250-P262 HydrophobicContact CG-CG 3.53Å; Q250-P262 PolarHBondContact NE2-O 2.82Å; I255-P262 HydrophobicContact CD1-CB 3.93Å
263L88.8Confident84.7Confident98 Ų9853.1 Ų53.151%0.51327%0.274SS..  trans-113.1139.4173.4-68165.7000108.7K261 D265 R266 I267K261-L263 VanDerWaalsContact C-N 3.26Å; K261-L263 HydrophobicContact CB-CD1 4.34Å; K261-L263 HydrophobicContact CB-CG 4.44Å; K261-L263 PolarHBondContact O-N 2.91Å; L263-D265 PolarHBondContact O-N 3.17Å; L263-R266 HydrophobicContact CB-CB 4.15Å; L263-R266 HydrophobicContact CB-CG 4.37Å; L263-R266 HydrophobicContact CD1-CG 4.5Å; L263-R266 PolarHBondContact O-N 3.22Å; L263-I267 WeakPolarHBondContact O-CG1 3.49Å; L263-I267 PolarHBondContact O-N 3.14Å
264F90.3Very high84.3Confident26 Ų2653.7 Ų53.711%0.11428%0.278CS..Hα-helixtrans-54.5-53.7-174.4-174.1-93.2000112.8D225 K226 L228 R266 I267 M268 Y302 L309D225-F264 WeakPolarHBondContact O-CD2 3.35Å; D225-F264 WeakPolarHBondContact O-CE2 3.43Å; K226-F264 HydrophobicContact CB-CE2 4.42Å; K226-F264 HydrophobicContact CB-CZ 4.46Å; L228-F264 HydrophobicContact CD2-CB 4.27Å; L228-F264 HydrophobicContact CD2-CD2 4.19Å; L228-F264 HydrophobicContact CG-CB 4.48Å; F264-R266 VanDerWaalsContact C-N 3.31Å; F264-R266 PolarHBondContact O-N 3.46Å; F264-I267 WeakPolarHBondContact O-CB 3.41Å; F264-I267 PolarHBondContact O-N 3.1Å; F264-I267 VanDerWaalsContact O-N 3.09Å; F264-M268 HydrophobicContact CD1-CG 4.43Å; F264-M268 HydrophobicContact CD1-SD 3.92Å; F264-M268 HydrophobicContact CE1-CG 4.17Å; F264-M268 HydrophobicContact CE1-SD 3.38Å; F264-M268 WeakPolarHBondContact CE1-SD 3.39Å; F264-M268 HydrophobicContact CZ-SD 4.14Å; F264-M268 PolarHBondContact O-N 3.48Å; F264-Y302 HydrophobicContact CE1-CD2 4.42Å; F264-Y302 HydrophobicContact CE1-CE2 4.19Å; F264-Y302 AromaticContact CZ-CD2 3.89Å; F264-Y302 HydrophobicContact CZ-CD2 3.89Å; F264-Y302 AromaticContact CZ-CE2 3.74Å; F264-Y302 HydrophobicContact CZ-CE2 3.74Å; F264-L309 HydrophobicContact CD2-CD1 3.48Å; F264-L309 VanDerWaalsContact CD2-CD1 3.48Å; F264-L309 HydrophobicContact CD2-CG 4.04Å; F264-L309 HydrophobicContact CE2-CB 4.49Å; F264-L309 HydrophobicContact CE2-CD1 3.52Å; F264-L309 HydrophobicContact CE2-CD2 4.5Å; F264-L309 HydrophobicContact CE2-CG 3.51Å; F264-L309 HydrophobicContact CG-CD1 4.34Å; F264-L309 HydrophobicContact CZ-CD1 4.38Å; F264-L309 HydrophobicContact CZ-CG 4.07Å
265D87.8Confident84.3Confident121 Ų12150.6 Ų50.665%0.64726%0.26SS*.Hα-helixtrans-61-41.2-179.2-58.9-38.4000111.9L263 I267 M268 M269L263-D265 PolarHBondContact O-N 3.17Å; D265-I267 VanDerWaalsContact C-N 3.35Å; D265-I267 PolarHBondContact O-N 3.19Å; D265-M268 WeakPolarHBondContact O-CB 3.36Å; D265-M268 PolarHBondContact O-N 3.34Å; D265-M269 VanDerWaalsContact O-CG 3.25Å; D265-M269 WeakPolarHBondContact O-CG 3.26Å; D265-M269 PolarHBondContact O-N 3.2Å
266R85.7Confident84.3Confident83 Ų8352.3 Ų52.331%0.31327%0.266SS..Hα-helixtrans-63.6-42177-80.3-68.6-164.3171.91.8110.7E132 M260 L263 F264 M268 M269 F270E132-R266 IonicContact OE1-NH1 3.78Å; E132-R266 PolarHBondContact OE1-NH1 2.84Å; E132-R266 IonicContact OE2-NH1 3.94Å; E132-R266 PolarHBondContact OE2-NH1 3.25Å; E132-R266 IonicContact OE2-NH2 2.63Å; M260-R266 HydrophobicContact CE-CB 3.45Å; M260-R266 VanDerWaalsContact CE-CB 3.45Å; M260-R266 WeakPolarHBondContact CE-O 3.4Å; L263-R266 HydrophobicContact CB-CB 4.15Å; L263-R266 HydrophobicContact CB-CG 4.37Å; L263-R266 HydrophobicContact CD1-CG 4.5Å; L263-R266 PolarHBondContact O-N 3.22Å; F264-R266 VanDerWaalsContact C-N 3.31Å; F264-R266 PolarHBondContact O-N 3.46Å; R266-M268 VanDerWaalsContact C-N 3.3Å; R266-M268 PolarHBondContact O-N 3.44Å; R266-M269 WeakPolarHBondContact O-CB 3.14Å; R266-M269 PolarHBondContact O-N 3.12Å; R266-F270 WeakPolarHBondContact O-CD2 3.37Å
267I88.1Confident84.7Confident1 Ų149.7 Ų49.71%0.00525%0.253CS..Hα-helixtrans-61.1-41.6178.4-69.2165.5000110.4L228 I255 M260 L263 F264 D265 M269 F270 S271 F275 M300 L309L228-I267 HydrophobicContact CD2-CD1 3.99Å; I255-I267 HydrophobicContact CD1-CD1 4Å; I255-I267 HydrophobicContact CD1-CG1 4.16Å; M260-I267 HydrophobicContact CE-CB 4.49Å; M260-I267 HydrophobicContact CE-CG1 3.92Å; M260-I267 HydrophobicContact SD-CG1 4.33Å; L263-I267 WeakPolarHBondContact O-CG1 3.49Å; L263-I267 PolarHBondContact O-N 3.14Å; F264-I267 WeakPolarHBondContact O-CB 3.41Å; F264-I267 PolarHBondContact O-N 3.1Å; F264-I267 VanDerWaalsContact O-N 3.09Å; D265-I267 VanDerWaalsContact C-N 3.35Å; D265-I267 PolarHBondContact O-N 3.19Å; I267-M269 VanDerWaalsContact C-N 3.26Å; I267-M269 PolarHBondContact O-N 2.68Å; I267-F270 PolarHBondContact O-N 2.98Å; I267-S271 PolarHBondContact O-N 3.49Å; I267-F275 HydrophobicContact CG2-CE1 4.2Å; I267-F275 HydrophobicContact CG2-CZ 3.88Å; I267-M300 HydrophobicContact CG2-CB 3.99Å; I267-M300 HydrophobicContact CG2-CG 4.35Å; I267-M300 HydrophobicContact CG2-SD 3.42Å; I267-M300 WeakPolarHBondContact CG2-SD 3.26Å; I267-L309 HydrophobicContact CB-CD1 4.17Å; I267-L309 HydrophobicContact CD1-CD1 4.49Å; I267-L309 HydrophobicContact CG2-CD1 3.74Å; I267-L309 HydrophobicContact CG2-CD2 4.21Å
268M86.1Confident85.1Confident57 Ų5747.3 Ų47.328%0.28124%0.241SC..Hα-helixtrans-57.7-37176.2-71.4-175.559.400112.9F264 D265 R266 F270 S271 Y302 L309F264-M268 HydrophobicContact CD1-CG 4.43Å; F264-M268 HydrophobicContact CD1-SD 3.92Å; F264-M268 HydrophobicContact CE1-CG 4.17Å; F264-M268 HydrophobicContact CE1-SD 3.38Å; F264-M268 WeakPolarHBondContact CE1-SD 3.39Å; F264-M268 HydrophobicContact CZ-SD 4.14Å; F264-M268 PolarHBondContact O-N 3.48Å; D265-M268 WeakPolarHBondContact O-CB 3.36Å; D265-M268 PolarHBondContact O-N 3.34Å; R266-M268 VanDerWaalsContact C-N 3.3Å; R266-M268 PolarHBondContact O-N 3.44Å; M268-F270 PolarHBondContact O-N 3.4Å; M268-S271 VanDerWaalsContact O-CB 3.28Å; M268-S271 WeakPolarHBondContact O-CB 3.41Å; M268-S271 PolarHBondContact O-N 3.45Å; M268-S271 VanDerWaalsContact O-N 3.13Å; M268-S271 PolarHBondContact O-OG 3.49Å; M268-Y302 HydrophobicContact CE-CD1 3.36Å; M268-Y302 HydrophobicContact CE-CD2 4.11Å; M268-Y302 HydrophobicContact CE-CE1 3.79Å; M268-Y302 HydrophobicContact CE-CE2 4.5Å; M268-Y302 HydrophobicContact CE-CG 3.52Å; M268-Y302 HydrophobicContact CG-CG 4.38Å; M268-Y302 HydrophobicContact SD-CD1 4.31Å; M268-Y302 HydrophobicContact SD-CD2 4Å; M268-Y302 HydrophobicContact SD-CE2 4.33Å; M268-Y302 HydrophobicContact SD-CG 3.99Å; M268-L309 HydrophobicContact CG-CD2 3.97Å
269M81.6Confident85.7Confident59 Ų5946.8 Ų46.829%0.29124%0.238SC..Hα-helixtrans-63.2-26.3178.5-48.5-166.480.700112.9V120 L122 D265 R266 I267V120-M269 HydrophobicContact CG1-CB 3.86Å; L122-M269 HydrophobicContact CB-CE 4.15Å; L122-M269 HydrophobicContact CD2-CE 3.33Å; L122-M269 HydrophobicContact CD2-SD 4.29Å; L122-M269 HydrophobicContact CG-CE 4.33Å; D265-M269 VanDerWaalsContact O-CG 3.25Å; D265-M269 WeakPolarHBondContact O-CG 3.26Å; D265-M269 PolarHBondContact O-N 3.2Å; R266-M269 WeakPolarHBondContact O-CB 3.14Å; R266-M269 PolarHBondContact O-N 3.12Å; I267-M269 VanDerWaalsContact C-N 3.26Å; I267-M269 PolarHBondContact O-N 2.68Å
270F82.8Confident86.2Confident15 Ų1546 Ų467%0.06623%0.23CC..THydrogen-bonded Turntrans-98.713.9179.1-72.8-86.2000113.1V120 P258 M260 R266 I267 M268 S272 S273 F275V120-F270 HydrophobicContact CG2-CD1 3.83Å; V120-F270 HydrophobicContact CG2-CE1 3.14Å; V120-F270 HydrophobicContact CG2-CE2 4.07Å; V120-F270 HydrophobicContact CG2-CZ 3.29Å; P258-F270 HydrophobicContact CB-CD1 3.77Å; P258-F270 HydrophobicContact CB-CE1 3.66Å; P258-F270 HydrophobicContact CB-CG 4.32Å; P258-F270 HydrophobicContact CB-CZ 4.17Å; P258-F270 HydrophobicContact CG-CB 3.92Å; P258-F270 HydrophobicContact CG-CD1 3.48Å; P258-F270 VanDerWaalsContact CG-CD1 3.48Å; P258-F270 HydrophobicContact CG-CD2 4.09Å; P258-F270 HydrophobicContact CG-CE1 3.87Å; P258-F270 HydrophobicContact CG-CE2 4.46Å; P258-F270 HydrophobicContact CG-CG 3.58Å; P258-F270 HydrophobicContact CG-CZ 4.34Å; M260-F270 HydrophobicContact CE-CD2 3.75Å; M260-F270 HydrophobicContact CE-CE2 4.02Å; M260-F270 HydrophobicContact SD-CD2 3.91Å; M260-F270 HydrophobicContact SD-CE2 4.25Å; R266-F270 WeakPolarHBondContact O-CD2 3.37Å; I267-F270 PolarHBondContact O-N 2.98Å; M268-F270 PolarHBondContact O-N 3.4Å; F270-S272 PolarHBondContact O-N 3.06Å; F270-S272 VanDerWaalsContact O-N 3.08Å; F270-S273 WeakPolarHBondContact O-CA 3.49Å; F270-S273 WeakPolarHBondContact O-CB 3.39Å; F270-S273 PolarHBondContact O-N 3.29Å; F270-F275 HydrophobicContact CB-CE2 3.98Å; F270-F275 HydrophobicContact CB-CZ 3.59Å; F270-F275 VanDerWaalsContact O-CE2 3.3Å; F270-F275 WeakPolarHBondContact O-CE2 3.35Å
271S80.7Confident86Confident49 Ų4945.4 Ų45.434%0.34323%0.227SC..THydrogen-bonded Turntrans-55.7-29.2-176.549.70000114.8I267 M268 S273 M300I267-S271 PolarHBondContact O-N 3.49Å; M268-S271 VanDerWaalsContact O-CB 3.28Å; M268-S271 WeakPolarHBondContact O-CB 3.41Å; M268-S271 PolarHBondContact O-N 3.45Å; M268-S271 VanDerWaalsContact O-N 3.13Å; M268-S271 PolarHBondContact O-OG 3.49Å; S271-S273 VanDerWaalsContact C-N 3.34Å; S271-M300 VanDerWaalsContact CA-O 3.25Å; S271-M300 WeakPolarHBondContact CA-O 3.32Å; S271-M300 WeakPolarHBondContact CB-O 3.45Å
272S78.1Confident85.4Confident39 Ų3942.4 Ų42.427%0.27322%0.219SC..THydrogen-bonded Turntrans-78.4-15.6174.559.20000114.4L98 F270L98-S272 VanDerWaalsContact CD2-OG 3.3Å; L98-S272 WeakPolarHBondContact CD2-OG 3.28Å; F270-S272 PolarHBondContact O-N 3.06Å; F270-S272 VanDerWaalsContact O-N 3.08Å
273S83.4Confident84.4Confident4 Ų448.3 Ų48.33%0.02824%0.242CC..SBendtrans-92.1145.6-177.8-66.20000111.3N101 F270 S271 F275N101-S273 PolarHBondContact ND2-OG 2.85Å; F270-S273 WeakPolarHBondContact O-CA 3.49Å; F270-S273 WeakPolarHBondContact O-CB 3.39Å; F270-S273 PolarHBondContact O-N 3.29Å; S271-S273 VanDerWaalsContact C-N 3.34Å; S273-F275 WeakPolarHBondContact O-CD2 3.35Å; S273-F275 PolarHBondContact O-N 3.33Å
274T86.1Confident82.7Confident18 Ų1855.2 Ų55.211%0.1126%0.262CS..PPolyproline II helixtrans-75.1122.3172.1-49.40000111.7D102 K105 K297 G298D102-T274 VanDerWaalsContact CG-OG1 3.25Å; D102-T274 WeakPolarHBondContact OD1-CB 3.49Å; D102-T274 PolarHBondContact OD1-N 2.94Å; D102-T274 PolarHBondContact OD1-OG1 3.37Å; D102-T274 PolarHBondContact OD2-N 3.25Å; D102-T274 PolarHBondContact OD2-OG1 3.49Å; K105-T274 PolarHBondContact NZ-O 3Å; T274-K297 HydrophobicContact CG2-CD 4.08Å; T274-K297 HydrophobicContact CG2-CG 3.49Å; T274-K297 VanDerWaalsContact CG2-CG 3.49Å; T274-G298 CarbonylContact C-O 3.34Å; T274-G298 WeakPolarHBondContact CG2-O 3.37Å
275F90.4Very high80.8Confident1 Ų161.1 Ų61.10%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-80.1146.7172.9-73.5-103.4000112I255 L257 P258 M260 I267 F270 S273 I277 K297 G298 M300 F311I255-F275 HydrophobicContact CG2-CD1 4.06Å; I255-F275 HydrophobicContact CG2-CE1 4.44Å; L257-F275 CarbonylContact O-C 3.57Å; L257-F275 VanDerWaalsContact O-CA 3.25Å; L257-F275 WeakPolarHBondContact O-CA 3.47Å; P258-F275 VanDerWaalsContact CD-CD1 3.48Å; P258-F275 HydrophobicContact CG-CD1 4.42Å; P258-F275 HydrophobicContact CG-CE1 4.04Å; P258-F275 HydrophobicContact CG-CZ 4.32Å; M260-F275 HydrophobicContact SD-CE1 3.94Å; I267-F275 HydrophobicContact CG2-CE1 4.2Å; I267-F275 HydrophobicContact CG2-CZ 3.88Å; F270-F275 HydrophobicContact CB-CE2 3.98Å; F270-F275 HydrophobicContact CB-CZ 3.59Å; F270-F275 VanDerWaalsContact O-CE2 3.3Å; F270-F275 WeakPolarHBondContact O-CE2 3.35Å; S273-F275 WeakPolarHBondContact O-CD2 3.35Å; S273-F275 PolarHBondContact O-N 3.33Å; F275-I277 HydrophobicContact CB-CG2 4.42Å; F275-K297 WeakPolarHBondContact O-CA 3.47Å; F275-G298 WeakPolarHBondContact CA-O 3.32Å; F275-G298 PolarHBondContact N-O 3.13Å; F275-G298 PolarHBondContact O-N 3.17Å; F275-M300 HydrophobicContact CD1-CE 4.28Å; F275-M300 HydrophobicContact CD1-CG 4.29Å; F275-M300 HydrophobicContact CD1-SD 3.67Å; F275-M300 HydrophobicContact CD2-CB 3.93Å; F275-M300 HydrophobicContact CD2-CG 3.82Å; F275-M300 HydrophobicContact CD2-SD 4.25Å; F275-M300 HydrophobicContact CE1-CG 4.48Å; F275-M300 HydrophobicContact CE1-SD 3.68Å; F275-M300 HydrophobicContact CE2-CB 3.73Å; F275-M300 HydrophobicContact CE2-CG 4.03Å; F275-M300 HydrophobicContact CE2-SD 4.25Å; F275-M300 HydrophobicContact CG-CG 3.97Å; F275-M300 HydrophobicContact CG-SD 3.97Å; F275-M300 HydrophobicContact CZ-CB 4.2Å; F275-M300 HydrophobicContact CZ-CG 4.35Å; F275-M300 HydrophobicContact CZ-SD 3.97Å; F275-F311 HydrophobicContact CB-CE2 4.34Å
276K89.6Confident78.9Confident55 Ų5557.9 Ų57.924%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-121111163.1-170-178.2177.3-156.90107.8M256 L257 L296M256-K276 HydrophobicContact CE-CD 3.41Å; M256-K276 VanDerWaalsContact CE-CD 3.41Å; M256-K276 HydrophobicContact CE-CG 3.62Å; M256-K276 VanDerWaalsContact CE-NZ 3.33Å; M256-K276 PolarHBondContact N-O 2.98Å; L257-K276 HydrophobicContact CB-CB 3.99Å; L257-K276 HydrophobicContact CD1-CB 4.44Å; L257-K276 PolarHBondContact N-O 3.32Å; L257-K276 VanDerWaalsContact N-O 3.15Å; L257-K276 PolarHBondContact O-N 3.45Å; K276-L296 CarbonylContact C-O 3.52Å; K276-L296 VanDerWaalsContact CA-O 3.27Å; K276-L296 WeakPolarHBondContact CA-O 3.35Å
277I93.6Very high77.2Confident0 Ų061 Ų610%029%0.292CS..EExtended strand (participates in β ladder)trans-110.8143.8178.665.2177.8000109.1L222 F249 F253 V254 I255 F275 Y295 L296 M300 F311L222-I277 HydrophobicContact CD1-CD1 3.94Å; F249-I277 HydrophobicContact CE2-CD1 4.4Å; F249-I277 HydrophobicContact CZ-CG2 4.23Å; F253-I277 HydrophobicContact CD1-CB 4.47Å; F253-I277 HydrophobicContact CD1-CD1 3.84Å; F253-I277 HydrophobicContact CD1-CG1 4.21Å; F253-I277 HydrophobicContact CE1-CD1 4.05Å; V254-I277 CarbonylContact O-C 3.59Å; V254-I277 WeakPolarHBondContact O-CA 3.48Å; I255-I277 HydrophobicContact CG1-CG2 4.27Å; F275-I277 HydrophobicContact CB-CG2 4.42Å; I277-Y295 CarbonylContact O-C 3.54Å; I277-Y295 WeakPolarHBondContact O-CA 3.48Å; I277-L296 HydrophobicContact CD1-CB 4.38Å; I277-L296 HydrophobicContact CD1-CD1 4.05Å; I277-L296 HydrophobicContact CG1-CB 3.76Å; I277-L296 HydrophobicContact CG1-CD1 4.11Å; I277-L296 HydrophobicContact CG1-CG 4.43Å; I277-L296 PolarHBondContact N-O 2.81Å; I277-L296 PolarHBondContact O-N 2.69Å; I277-M300 HydrophobicContact CG2-CE 3.89Å; I277-F311 HydrophobicContact CD1-CD1 3.92Å; I277-F311 HydrophobicContact CD1-CD2 4.21Å; I277-F311 HydrophobicContact CD1-CE1 3.57Å; I277-F311 HydrophobicContact CD1-CE2 3.88Å; I277-F311 HydrophobicContact CD1-CG 4.21Å; I277-F311 HydrophobicContact CD1-CZ 3.54Å; I277-F311 HydrophobicContact CG1-CE1 4.25Å; I277-F311 HydrophobicContact CG1-CE2 4.25Å; I277-F311 HydrophobicContact CG1-CZ 3.83Å
278G91.7Very high75.5Confident1 Ų170.4 Ų70.41%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-108.2123173.300000110F253 V254 L294F253-G278 CarbonylContact C-O 3.5Å; F253-G278 VanDerWaalsContact CA-O 3.29Å; F253-G278 WeakPolarHBondContact CA-O 3.29Å; V254-G278 PolarHBondContact N-O 2.92Å; V254-G278 PolarHBondContact O-N 3.34Å; G278-L294 WeakPolarHBondContact CA-O 3.3Å
279L92Very high73.7Confident0 Ų069.1 Ų69.10%033%0.333CS..EExtended strand (participates in β ladder)trans-85.4117.8169.4174.555.2000108.7L237 F240 Q241 L244 H252 F253 M281 I293 L294L237-L279 HydrophobicContact CD2-CD2 3.97Å; F240-L279 HydrophobicContact CB-CD2 4.31Å; Q241-L279 HydrophobicContact CB-CD1 4.46Å; L244-L279 HydrophobicContact CD2-CD1 4.1Å; H252-L279 HydrophobicContact CB-CD1 4.03Å; F253-L279 HydrophobicContact CD1-CB 4Å; F253-L279 HydrophobicContact CD1-CD1 4.31Å; F253-L279 HydrophobicContact CE1-CB 3.64Å; F253-L279 HydrophobicContact CE1-CD1 3.85Å; F253-L279 HydrophobicContact CE1-CD2 4.38Å; F253-L279 HydrophobicContact CE1-CG 4.16Å; F253-L279 HydrophobicContact CE2-CD1 4.23Å; F253-L279 HydrophobicContact CZ-CB 4.39Å; F253-L279 HydrophobicContact CZ-CD1 3.79Å; F253-L279 HydrophobicContact CZ-CD2 4.43Å; F253-L279 HydrophobicContact CZ-CG 4.43Å; L279-M281 HydrophobicContact CB-CE 4.21Å; L279-M281 HydrophobicContact CD2-CE 3.36Å; L279-M281 HydrophobicContact CD2-SD 3.96Å; L279-M281 HydrophobicContact CG-CE 3.66Å; L279-M281 HydrophobicContact CG-SD 3.94Å; L279-M281 PolarHBondContact O-N 2.8Å; L279-I293 WeakPolarHBondContact O-CA 3.34Å; L279-I293 WeakPolarHBondContact O-CG2 3.45Å; L279-L294 HydrophobicContact CB-CB 4.37Å; L279-L294 PolarHBondContact N-O 2.86Å; L279-L294 PolarHBondContact O-N 3.39Å
280K87.9Confident72.2Confident96 Ų9675.8 Ų75.842%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-72.9122171.6-63.6172.8-176.6163.70109H252H252-K280 PolarHBondContact O-N 2.79Å
281M78Confident71.1Confident21 Ų2179.3 Ų79.310%0.10338%0.378CS..PPolyproline II helixtrans-95.4147.1176.8-60.2-61.9-178.800110.4F240 L279 I286 S292 L294F240-M281 HydrophobicContact CB-CE 3.52Å; F240-M281 HydrophobicContact CB-SD 3.75Å; F240-M281 HydrophobicContact CD1-CE 3.62Å; F240-M281 HydrophobicContact CD1-SD 4.18Å; F240-M281 HydrophobicContact CD2-CE 4.22Å; F240-M281 HydrophobicContact CE1-CE 4.41Å; F240-M281 HydrophobicContact CG-CE 3.53Å; F240-M281 HydrophobicContact CG-SD 4.25Å; L279-M281 HydrophobicContact CB-CE 4.21Å; L279-M281 HydrophobicContact CD2-CE 3.36Å; L279-M281 HydrophobicContact CD2-SD 3.96Å; L279-M281 HydrophobicContact CG-CE 3.66Å; L279-M281 HydrophobicContact CG-SD 3.94Å; L279-M281 PolarHBondContact O-N 2.8Å; M281-I286 HydrophobicContact CB-CD1 4.37Å; M281-S292 WeakPolarHBondContact CB-O 3.3Å; M281-S292 PolarHBondContact N-O 2.87Å; M281-L294 HydrophobicContact CE-CB 3.32Å; M281-L294 HydrophobicContact CE-CD2 3.67Å; M281-L294 HydrophobicContact CE-CG 4.13Å
282D69.5Low70.6Confident99 Ų9979.9 Ų79.953%0.52938%0.382SS..PPolyproline II helixtrans-72131.9170.3-69-38.4000110.1Q241 R284Q241-D282 PolarHBondContact NE2-OD2 2.95Å; D282-R284 PolarHBondContact O-N 2.87Å
283E59.8Low71Confident171 Ų17180.5 Ų80.580%0.79938%0.382SS*.G310 helixtrans-57.5-19.1-174.7-65.2-178160.700113.9K285E283-K285 VanDerWaalsContact C-N 3.28Å; E283-K285 PolarHBondContact O-N 3.13Å
284R52.8Low71.2Confident244 Ų24480.3 Ų80.392%0.92138%0.381SS*.G310 helixtrans-71-10.3-171.4-59.5-174.6-167.4176.85.1115.5D282D282-R284 PolarHBondContact O-N 2.87Å
285K50.3Low71.3Confident150 Ų15083.4 Ų83.465%0.65239%0.391SS*.G310 helixtrans-116.13.2-174.2-78.7-171.9177.8178.70115.3E283E283-K285 VanDerWaalsContact C-N 3.28Å; E283-K285 PolarHBondContact O-N 3.13Å
286I49.7Very low71.4Confident52 Ų5283.4 Ų83.427%0.26739%0.391SS..  trans-98.6110.8-172.3-53.1170.6000109.2M281 E288 S289M281-I286 HydrophobicContact CB-CD1 4.37Å; I286-E288 PolarHBondContact O-N 2.84Å; I286-S289 WeakPolarHBondContact CG2-O 3.43Å
287N48.5Very low71.4Confident149 Ų14982.7 Ų82.780%0.79739%0.388SS*.  trans-59.4101.5170.4-74.3-17.6000109S289N287-S289 PolarHBondContact O-N 2.86Å; N287-S289 PolarHBondContact O-OG 2.83Å
288E52Low71.2Confident198 Ų19883.1 Ų83.193%0.92539%0.392SS*.SBendtrans44.1-4.9166.6-68-175.9163.300119.8I286I286-E288 PolarHBondContact O-N 2.84Å
289S49.6Very low71.1Confident31 Ų3187.1 Ų87.122%0.21741%0.41CS..  trans-102120.7-175.163.70000111.1I286 N287 K291I286-S289 WeakPolarHBondContact CG2-O 3.43Å; N287-S289 PolarHBondContact O-N 2.86Å; N287-S289 PolarHBondContact O-OG 2.83Å; S289-K291 PolarHBondContact O-N 2.65Å
290H50.7Low71.1Confident199 Ų19987.1 Ų87.192%0.92141%0.41SS*.  trans-6533.2-166.9-75.8-73.1000118.3
291K58.3Low71.2Confident89 Ų8985.6 Ų85.639%0.38741%0.406SS..  trans-112.597.2179-73.6179.2-176.1154.90113.1S289 I293 S322 D325 F326S289-K291 PolarHBondContact O-N 2.65Å; K291-I293 VanDerWaalsContact C-N 3.3Å; K291-I293 PolarHBondContact O-N 2.72Å; K291-S322 PolarHBondContact NZ-OG 3.3Å; K291-S322 VanDerWaalsContact NZ-OG 3.14Å; K291-D325 IonicContact NZ-OD2 2.73Å; K291-F326 HydrophobicContact CB-CE2 4.4Å; K291-F326 HydrophobicContact CB-CZ 3.93Å; K291-F326 HydrophobicContact CD-CE2 4.36Å
292S70.9Confident71.7Confident60 Ų6088 Ų8842%0.4241%0.414SS..  trans-76.8-4.5178.656.20000115.6M281M281-S292 WeakPolarHBondContact CB-O 3.3Å; M281-S292 PolarHBondContact N-O 2.87Å
293I85.5Confident72.7Confident53 Ų5384.5 Ų84.527%0.27240%0.396SS..EExtended strand (participates in β ladder)trans-132.1120.5-172.9-53.2176.8000111.5L279 K291 Y295 F326L279-I293 WeakPolarHBondContact O-CA 3.34Å; L279-I293 WeakPolarHBondContact O-CG2 3.45Å; K291-I293 VanDerWaalsContact C-N 3.3Å; K291-I293 PolarHBondContact O-N 2.72Å; I293-Y295 HydrophobicContact CB-CE1 4.14Å; I293-Y295 HydrophobicContact CG2-CD1 3.8Å; I293-Y295 HydrophobicContact CG2-CE1 3.39Å; I293-F326 WeakPolarHBondContact O-CZ 3.28Å
294L87.7Confident73.8Confident0 Ų083.9 Ų83.90%039%0.391CS..EExtended strand (participates in β ladder)trans-86.3118.8169.117966.7000109.6F240 G278 L279 M281 L296 P315 F317 F326F240-L294 HydrophobicContact CD2-CD2 3.81Å; F240-L294 HydrophobicContact CE2-CD2 3.72Å; F240-L294 HydrophobicContact CG-CD2 4.37Å; F240-L294 HydrophobicContact CZ-CD2 4.2Å; G278-L294 WeakPolarHBondContact CA-O 3.3Å; L279-L294 HydrophobicContact CB-CB 4.37Å; L279-L294 PolarHBondContact N-O 2.86Å; L279-L294 PolarHBondContact O-N 3.39Å; M281-L294 HydrophobicContact CE-CB 3.32Å; M281-L294 HydrophobicContact CE-CD2 3.67Å; M281-L294 HydrophobicContact CE-CG 4.13Å; L294-L296 HydrophobicContact CD2-CD2 4.11Å; L294-L296 HydrophobicContact CG-CD2 4.28Å; L294-P315 HydrophobicContact CD1-CB 4.11Å; L294-F317 HydrophobicContact CD1-CE1 3.87Å; L294-F317 HydrophobicContact CD1-CZ 3.7Å; L294-F326 HydrophobicContact CB-CD1 4.46Å; L294-F326 HydrophobicContact CB-CE1 4.05Å; L294-F326 HydrophobicContact CB-CZ 4.42Å; L294-F326 HydrophobicContact CD1-CD1 4.15Å; L294-F326 HydrophobicContact CD1-CD2 4.15Å; L294-F326 HydrophobicContact CD1-CE1 4.29Å; L294-F326 HydrophobicContact CD1-CE2 4.31Å; L294-F326 HydrophobicContact CD1-CG 4.1Å; L294-F326 HydrophobicContact CD1-CZ 4.37Å
295Y89.7Confident75.3Confident83 Ų8379.9 Ų79.933%0.32538%0.383SS..EExtended strand (participates in β ladder)trans-89.1125.7176.9-61.8-54.8000111.5M256 I277 I293 P315 N316M256-Y295 HydrophobicContact CE-CD1 3Å; M256-Y295 HydrophobicContact CE-CE1 3.11Å; M256-Y295 HydrophobicContact CE-CG 3.77Å; M256-Y295 HydrophobicContact SD-CD1 3.85Å; M256-Y295 HydrophobicContact SD-CE1 3.28Å; M256-Y295 WeakPolarHBondContact SD-CE1 3.49Å; I277-Y295 CarbonylContact O-C 3.54Å; I277-Y295 WeakPolarHBondContact O-CA 3.48Å; I293-Y295 HydrophobicContact CB-CE1 4.14Å; I293-Y295 HydrophobicContact CG2-CD1 3.8Å; I293-Y295 HydrophobicContact CG2-CE1 3.39Å; Y295-P315 CarbonylContact O-C 3.39Å; Y295-P315 WeakPolarHBondContact O-CA 3.23Å; Y295-N316 WeakPolarHBondContact O-CB 3.44Å; Y295-N316 PolarHBondContact O-N 2.87Å
296L91.3Very high77Confident0 Ų078.1 Ų78.10%037%0.372CS..EExtended strand (participates in β ladder)trans-107.6140.3174-53.6165.6000109.4F220 L237 F253 K276 I277 L294 F311 K314 P315F220-L296 HydrophobicContact CD1-CD2 3.89Å; F220-L296 HydrophobicContact CG-CD2 4.46Å; L237-L296 HydrophobicContact CD1-CD1 4.32Å; L237-L296 HydrophobicContact CD2-CD1 3.59Å; L237-L296 HydrophobicContact CD2-CD2 4.19Å; L237-L296 HydrophobicContact CD2-CG 4.48Å; F253-L296 HydrophobicContact CE1-CD1 3.96Å; K276-L296 CarbonylContact C-O 3.52Å; K276-L296 VanDerWaalsContact CA-O 3.27Å; K276-L296 WeakPolarHBondContact CA-O 3.35Å; I277-L296 HydrophobicContact CD1-CB 4.38Å; I277-L296 HydrophobicContact CD1-CD1 4.05Å; I277-L296 HydrophobicContact CG1-CB 3.76Å; I277-L296 HydrophobicContact CG1-CD1 4.11Å; I277-L296 HydrophobicContact CG1-CG 4.43Å; I277-L296 PolarHBondContact N-O 2.81Å; I277-L296 PolarHBondContact O-N 2.69Å; L294-L296 HydrophobicContact CD2-CD2 4.11Å; L294-L296 HydrophobicContact CG-CD2 4.28Å; L296-F311 HydrophobicContact CB-CE1 4.05Å; L296-F311 HydrophobicContact CB-CZ 3.93Å; L296-F311 HydrophobicContact CD1-CE1 4.19Å; L296-K314 CarbonylContact C-O 3.53Å; L296-K314 VanDerWaalsContact CA-O 3.28Å; L296-K314 WeakPolarHBondContact CA-O 3.48Å; L296-P315 HydrophobicContact CD2-CB 4.3Å
297K89.3Confident79Confident41 Ų4178.9 Ų78.918%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-117.4128.9172.5-176.9178.9174.1179.90108.7T274 F275 G313 K314 N316T274-K297 HydrophobicContact CG2-CD 4.08Å; T274-K297 HydrophobicContact CG2-CG 3.49Å; T274-K297 VanDerWaalsContact CG2-CG 3.49Å; F275-K297 WeakPolarHBondContact O-CA 3.47Å; K297-G313 CarbonylContact O-C 3.6Å; K297-G313 WeakPolarHBondContact O-CA 3.31Å; K297-K314 PolarHBondContact N-O 3.48Å; K297-K314 PolarHBondContact O-N 2.97Å; K297-N316 HydrophobicContact CB-CB 4.02Å
298G90.3Very high81.1Confident8 Ų873.8 Ų73.88%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-172.1-179.5-174.600000113.6T274 F275 I312T274-G298 CarbonylContact C-O 3.34Å; T274-G298 WeakPolarHBondContact CG2-O 3.37Å; F275-G298 WeakPolarHBondContact CA-O 3.32Å; F275-G298 PolarHBondContact N-O 3.13Å; F275-G298 PolarHBondContact O-N 3.17Å; G298-I312 CarbonylContact C-O 3.56Å; G298-I312 WeakPolarHBondContact CA-O 3.36Å
299Q90Very high83Confident85 Ų8564.4 Ų64.440%0.39731%0.31SS..EExtended strand (participates in β ladder)trans-105.6148.7173.8-71.5179.1-19.300109.9I301 F311 I312Q299-I301 HydrophobicContact CB-CG1 4.35Å; Q299-F311 CarbonylContact O-C 3.6Å; Q299-F311 VanDerWaalsContact O-CA 3.29Å; Q299-F311 WeakPolarHBondContact O-CA 3.34Å; Q299-F311 WeakPolarHBondContact O-CD2 3.31Å; Q299-I312 PolarHBondContact N-O 3.31Å; Q299-I312 PolarHBondContact O-N 2.92Å
300M91.1Very high85.1Confident1 Ų163.3 Ų63.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-109.1110170.7-69.9-175.6167.900108.2F249 I267 S271 F275 I277 F311F249-M300 HydrophobicContact CE2-CE 4.21Å; F249-M300 HydrophobicContact CZ-CE 3.86Å; I267-M300 HydrophobicContact CG2-CB 3.99Å; I267-M300 HydrophobicContact CG2-CG 4.35Å; I267-M300 HydrophobicContact CG2-SD 3.42Å; I267-M300 WeakPolarHBondContact CG2-SD 3.26Å; S271-M300 VanDerWaalsContact CA-O 3.25Å; S271-M300 WeakPolarHBondContact CA-O 3.32Å; S271-M300 WeakPolarHBondContact CB-O 3.45Å; F275-M300 HydrophobicContact CD1-CE 4.28Å; F275-M300 HydrophobicContact CD1-CG 4.29Å; F275-M300 HydrophobicContact CD1-SD 3.67Å; F275-M300 HydrophobicContact CD2-CB 3.93Å; F275-M300 HydrophobicContact CD2-CG 3.82Å; F275-M300 HydrophobicContact CD2-SD 4.25Å; F275-M300 HydrophobicContact CE1-CG 4.48Å; F275-M300 HydrophobicContact CE1-SD 3.68Å; F275-M300 HydrophobicContact CE2-CB 3.73Å; F275-M300 HydrophobicContact CE2-CG 4.03Å; F275-M300 HydrophobicContact CE2-SD 4.25Å; F275-M300 HydrophobicContact CG-CG 3.97Å; F275-M300 HydrophobicContact CG-SD 3.97Å; F275-M300 HydrophobicContact CZ-CB 4.2Å; F275-M300 HydrophobicContact CZ-CG 4.35Å; F275-M300 HydrophobicContact CZ-SD 3.97Å; I277-M300 HydrophobicContact CG2-CE 3.89Å; M300-F311 HydrophobicContact CE-CD2 3.95Å; M300-F311 HydrophobicContact CE-CG 4.47Å; M300-F311 HydrophobicContact CG-CB 4.29Å; M300-F311 HydrophobicContact CG-CD2 3.73Å; M300-F311 HydrophobicContact CG-CG 4.49Å
301I90.1Very high87.2Confident64 Ų6453.9 Ų53.933%0.32826%0.258SS..EExtended strand (participates in β ladder)trans-107.9128.5-174.9-57.8171.4000108.1Q299 L309 L310 I312Q299-I301 HydrophobicContact CB-CG1 4.35Å; I301-L309 CarbonylContact O-C 3.41Å; I301-L309 WeakPolarHBondContact O-CA 3.45Å; I301-L310 PolarHBondContact N-O 3.42Å; I301-L310 PolarHBondContact O-N 3.06Å; I301-I312 HydrophobicContact CD1-CD1 4.1Å
302Y89.7Confident88.8Confident71 Ų7152.6 Ų52.628%0.27826%0.255SS..EExtended strand (participates in β ladder)trans-82120.4171.1178.9-115.2000110.2F264 M268 K304 L309F264-Y302 HydrophobicContact CE1-CD2 4.42Å; F264-Y302 HydrophobicContact CE1-CE2 4.19Å; F264-Y302 AromaticContact CZ-CD2 3.89Å; F264-Y302 HydrophobicContact CZ-CD2 3.89Å; F264-Y302 AromaticContact CZ-CE2 3.74Å; F264-Y302 HydrophobicContact CZ-CE2 3.74Å; M268-Y302 HydrophobicContact CE-CD1 3.36Å; M268-Y302 HydrophobicContact CE-CD2 4.11Å; M268-Y302 HydrophobicContact CE-CE1 3.79Å; M268-Y302 HydrophobicContact CE-CE2 4.5Å; M268-Y302 HydrophobicContact CE-CG 3.52Å; M268-Y302 HydrophobicContact CG-CG 4.38Å; M268-Y302 HydrophobicContact SD-CD1 4.31Å; M268-Y302 HydrophobicContact SD-CD2 4Å; M268-Y302 HydrophobicContact SD-CE2 4.33Å; M268-Y302 HydrophobicContact SD-CG 3.99Å; Y302-K304 HydrophobicContact CD1-CG 4.05Å; Y302-K304 HydrophobicContact CE1-CB 4.39Å; Y302-K304 HydrophobicContact CE1-CG 3.76Å; Y302-L309 HydrophobicContact CD2-CD2 4.42Å
303V88.8Confident89.7Confident25 Ų2550.7 Ų50.715%0.15225%0.245CC..EExtended strand (participates in β ladder)trans-100.2109.9176.2-174.90000108E305 W306 S307 M308 L310V303-E305 VanDerWaalsContact C-N 3.3Å; V303-E305 HydrophobicContact CG1-CB 4.48Å; V303-E305 WeakPolarHBondContact CG1-OE2 3.36Å; V303-E305 PolarHBondContact O-N 3.07Å; V303-W306 HydrophobicContact CB-CB 4.3Å; V303-W306 HydrophobicContact CB-CD2 4.02Å; V303-W306 HydrophobicContact CB-CE3 3.66Å; V303-W306 HydrophobicContact CB-CG 4.32Å; V303-W306 HydrophobicContact CB-CZ3 4.32Å; V303-W306 HydrophobicContact CG1-CB 4.23Å; V303-W306 HydrophobicContact CG1-CD2 3.55Å; V303-W306 HydrophobicContact CG1-CE3 3.63Å; V303-W306 HydrophobicContact CG1-CG 3.83Å; V303-W306 HydrophobicContact CG1-CZ3 4.22Å; V303-W306 HydrophobicContact CG2-CE3 3.73Å; V303-W306 HydrophobicContact CG2-CZ3 3.92Å; V303-W306 PolarHBondContact O-N 2.99Å; V303-S307 PolarHBondContact O-N 3.19Å; V303-M308 PolarHBondContact N-O 2.85Å; V303-M308 PolarHBondContact O-N 3.11Å; V303-L310 HydrophobicContact CG2-CB 4.12Å
304K83.9Confident89.8Confident159 Ų15951.1 Ų51.169%0.69125%0.245SC*.THydrogen-bonded Turntrans-61.6-40.6-172.8-70.9-177.4178-179.60111.9Y302 W306 S307Y302-K304 HydrophobicContact CD1-CG 4.05Å; Y302-K304 HydrophobicContact CE1-CB 4.39Å; Y302-K304 HydrophobicContact CE1-CG 3.76Å; K304-W306 VanDerWaalsContact C-N 3.26Å; K304-W306 PolarHBondContact O-N 3.42Å; K304-S307 PolarHBondContact O-N 2.8Å; K304-S307 PolarHBondContact O-OG 2.89Å
305E83.4Confident89.8Confident159 Ų15951.4 Ų51.474%0.74325%0.246SC*.THydrogen-bonded Turntrans-64.3-32.6-177.9-6375.6-168.600111.8V303V303-E305 VanDerWaalsContact C-N 3.3Å; V303-E305 HydrophobicContact CG1-CB 4.48Å; V303-E305 WeakPolarHBondContact CG1-OE2 3.36Å; V303-E305 PolarHBondContact O-N 3.07Å
306W86.8Confident89.5Confident113 Ų11349.2 Ų49.243%0.42824%0.241SC..THydrogen-bonded Turntrans-93.4-17.3178-56.3-21.4000112.2F214 F215 L223 V303 K304 M308 L310F214-W306 HydrophobicContact CE1-CH2 4.31Å; F215-W306 HydrophobicContact CZ-CH2 4.48Å; L223-W306 HydrophobicContact CD1-CE3 3.71Å; L223-W306 HydrophobicContact CD1-CZ3 3.98Å; V303-W306 HydrophobicContact CB-CB 4.3Å; V303-W306 HydrophobicContact CB-CD2 4.02Å; V303-W306 HydrophobicContact CB-CE3 3.66Å; V303-W306 HydrophobicContact CB-CG 4.32Å; V303-W306 HydrophobicContact CB-CZ3 4.32Å; V303-W306 HydrophobicContact CG1-CB 4.23Å; V303-W306 HydrophobicContact CG1-CD2 3.55Å; V303-W306 HydrophobicContact CG1-CE3 3.63Å; V303-W306 HydrophobicContact CG1-CG 3.83Å; V303-W306 HydrophobicContact CG1-CZ3 4.22Å; V303-W306 HydrophobicContact CG2-CE3 3.73Å; V303-W306 HydrophobicContact CG2-CZ3 3.92Å; V303-W306 PolarHBondContact O-N 2.99Å; K304-W306 VanDerWaalsContact C-N 3.26Å; K304-W306 PolarHBondContact O-N 3.42Å; W306-M308 HydrophobicContact CB-CB 4.13Å; W306-M308 HydrophobicContact CB-CG 4.39Å; W306-M308 WeakPolarHBondContact O-CG 3.4Å; W306-M308 PolarHBondContact O-N 3.49Å; W306-L310 HydrophobicContact CZ3-CD2 4.22Å
307S90.9Very high88.8Confident68 Ų6850.5 Ų50.548%0.47625%0.246SC..THydrogen-bonded Turntrans53.737.5-169.3-59.70000112.2V303 K304V303-S307 PolarHBondContact O-N 3.19Å; K304-S307 PolarHBondContact O-N 2.8Å; K304-S307 PolarHBondContact O-OG 2.89Å
308M92.6Very high87.9Confident43 Ų4352.9 Ų52.921%0.21227%0.268CS..EExtended strand (participates in β ladder)trans-136.3155.8-174.6-68.4-178.6-172.700111.3L223 I224 D225 Q231 V303 W306L223-M308 HydrophobicContact CD1-CB 4.33Å; L223-M308 HydrophobicContact CD1-SD 4.38Å; L223-M308 HydrophobicContact CD2-SD 3.28Å; L223-M308 WeakPolarHBondContact CD2-SD 3.48Å; L223-M308 HydrophobicContact CG-CB 4.2Å; L223-M308 HydrophobicContact CG-SD 3.6Å; L223-M308 VanDerWaalsContact CG-SD 3.6Å; I224-M308 CarbonylContact O-C 3.58Å; I224-M308 WeakPolarHBondContact O-CA 3.46Å; I224-M308 WeakPolarHBondContact O-CB 3.4Å; D225-M308 HydrophobicContact CB-CE 4.37Å; D225-M308 HydrophobicContact CB-CG 4.29Å; Q231-M308 HydrophobicContact CB-SD 4.34Å; Q231-M308 HydrophobicContact CG-CE 3.94Å; Q231-M308 HydrophobicContact CG-SD 4.15Å; V303-M308 PolarHBondContact N-O 2.85Å; V303-M308 PolarHBondContact O-N 3.11Å; W306-M308 HydrophobicContact CB-CB 4.13Å; W306-M308 HydrophobicContact CB-CG 4.39Å; W306-M308 WeakPolarHBondContact O-CG 3.4Å; W306-M308 PolarHBondContact O-N 3.49Å
309L93.1Very high87Confident1 Ų157 Ų571%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-88.7122.5169.4-68.5166.4000109.3L223 I224 F264 I267 M268 I301 Y302L223-L309 WeakPolarHBondContact CA-O 3.35Å; I224-L309 HydrophobicContact CB-CB 4.23Å; I224-L309 PolarHBondContact N-O 3.48Å; I224-L309 PolarHBondContact O-N 3.4Å; F264-L309 HydrophobicContact CD2-CD1 3.48Å; F264-L309 VanDerWaalsContact CD2-CD1 3.48Å; F264-L309 HydrophobicContact CD2-CG 4.04Å; F264-L309 HydrophobicContact CE2-CB 4.49Å; F264-L309 HydrophobicContact CE2-CD1 3.52Å; F264-L309 HydrophobicContact CE2-CD2 4.5Å; F264-L309 HydrophobicContact CE2-CG 3.51Å; F264-L309 HydrophobicContact CG-CD1 4.34Å; F264-L309 HydrophobicContact CZ-CD1 4.38Å; F264-L309 HydrophobicContact CZ-CG 4.07Å; I267-L309 HydrophobicContact CB-CD1 4.17Å; I267-L309 HydrophobicContact CD1-CD1 4.49Å; I267-L309 HydrophobicContact CG2-CD1 3.74Å; I267-L309 HydrophobicContact CG2-CD2 4.21Å; M268-L309 HydrophobicContact CG-CD2 3.97Å; I301-L309 CarbonylContact O-C 3.41Å; I301-L309 WeakPolarHBondContact O-CA 3.45Å; Y302-L309 HydrophobicContact CD2-CD2 4.42Å
310L93.8Very high86.1Confident8 Ų855.5 Ų55.54%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-97.1111.3169.4179.466.1000108.8F215 H221 L222 L223 I301 V303 W306 I312F215-L310 HydrophobicContact CE1-CD1 4.23Å; H221-L310 HydrophobicContact CB-CD1 4.34Å; L222-L310 CarbonylContact O-C 3.21Å; L222-L310 WeakPolarHBondContact O-CA 3.28Å; L223-L310 HydrophobicContact CD1-CD1 4.23Å; I301-L310 PolarHBondContact N-O 3.42Å; I301-L310 PolarHBondContact O-N 3.06Å; V303-L310 HydrophobicContact CG2-CB 4.12Å; W306-L310 HydrophobicContact CZ3-CD2 4.22Å; L310-I312 HydrophobicContact CD2-CD1 3.76Å; L310-I312 HydrophobicContact CD2-CG1 3.82Å; L310-I312 HydrophobicContact CG-CD1 4.3Å; L310-I312 HydrophobicContact CG-CG1 3.8Å
311F94.5Very high85.4Confident0 Ų062.2 Ų62.20%031%0.311CS..EExtended strand (participates in β ladder)trans-82121.4165177.8-106.8000109.3H221 L222 F275 I277 L296 Q299 M300H221-F311 CarbonylContact C-O 3.37Å; H221-F311 WeakPolarHBondContact CA-O 3.47Å; H221-F311 WeakPolarHBondContact CB-O 3.47Å; L222-F311 HydrophobicContact CB-CB 3.93Å; L222-F311 HydrophobicContact CD1-CB 4.45Å; L222-F311 HydrophobicContact CD1-CD1 4.12Å; L222-F311 HydrophobicContact CG-CB 4.48Å; L222-F311 HydrophobicContact CG-CD1 4.25Å; L222-F311 PolarHBondContact N-O 2.95Å; L222-F311 PolarHBondContact O-N 3.04Å; F275-F311 HydrophobicContact CB-CE2 4.34Å; I277-F311 HydrophobicContact CD1-CD1 3.92Å; I277-F311 HydrophobicContact CD1-CD2 4.21Å; I277-F311 HydrophobicContact CD1-CE1 3.57Å; I277-F311 HydrophobicContact CD1-CE2 3.88Å; I277-F311 HydrophobicContact CD1-CG 4.21Å; I277-F311 HydrophobicContact CD1-CZ 3.54Å; I277-F311 HydrophobicContact CG1-CE1 4.25Å; I277-F311 HydrophobicContact CG1-CE2 4.25Å; I277-F311 HydrophobicContact CG1-CZ 3.83Å; L296-F311 HydrophobicContact CB-CE1 4.05Å; L296-F311 HydrophobicContact CB-CZ 3.93Å; L296-F311 HydrophobicContact CD1-CE1 4.19Å; Q299-F311 CarbonylContact O-C 3.6Å; Q299-F311 VanDerWaalsContact O-CA 3.29Å; Q299-F311 WeakPolarHBondContact O-CA 3.34Å; Q299-F311 WeakPolarHBondContact O-CD2 3.31Å; M300-F311 HydrophobicContact CE-CD2 3.95Å; M300-F311 HydrophobicContact CE-CG 4.47Å; M300-F311 HydrophobicContact CG-CB 4.29Å; M300-F311 HydrophobicContact CG-CD2 3.73Å; M300-F311 HydrophobicContact CG-CG 4.49Å
312I91.3Very high84.7Confident62 Ų6259.4 Ų59.432%0.31830%0.297SS..EExtended strand (participates in β ladder)trans-112.7108.4170-54.5-179.1000107.2L218 G298 Q299 I301 L310L218-I312 HydrophobicContact CD1-CD1 4.45Å; L218-I312 HydrophobicContact CD1-CG1 4.46Å; L218-I312 HydrophobicContact CD2-CG2 4.04Å; G298-I312 CarbonylContact C-O 3.56Å; G298-I312 WeakPolarHBondContact CA-O 3.36Å; Q299-I312 PolarHBondContact N-O 3.31Å; Q299-I312 PolarHBondContact O-N 2.92Å; I301-I312 HydrophobicContact CD1-CD1 4.1Å; L310-I312 HydrophobicContact CD2-CD1 3.76Å; L310-I312 HydrophobicContact CD2-CG1 3.82Å; L310-I312 HydrophobicContact CG-CD1 4.3Å; L310-I312 HydrophobicContact CG-CG1 3.8Å
313G89.6Confident84.1Confident20 Ų2056.7 Ų56.721%0.20629%0.287CS..EExtended strand (participates in β ladder)trans-142.3-175.5-176.900000114K297K297-G313 CarbonylContact O-C 3.6Å; K297-G313 WeakPolarHBondContact O-CA 3.31Å
314K87.1Confident83.4Confident62 Ų6262 Ų6227%0.2731%0.313SS..EExtended strand (participates in β ladder)trans-151.9158.6179.261.4-178.2177.1-174.20109.4L296 K297 D337L296-K314 CarbonylContact C-O 3.53Å; L296-K314 VanDerWaalsContact CA-O 3.28Å; L296-K314 WeakPolarHBondContact CA-O 3.48Å; K297-K314 PolarHBondContact N-O 3.48Å; K297-K314 PolarHBondContact O-N 2.97Å; K314-D337 WeakPolarHBondContact CD-OD2 3.28Å; K314-D337 VanDerWaalsContact CE-OD2 3.23Å; K314-D337 WeakPolarHBondContact CE-OD2 3.43Å; K314-D337 IonicContact NZ-OD1 3.59Å; K314-D337 PolarHBondContact NZ-OD1 3.07Å; K314-D337 IonicContact NZ-OD2 3.64Å; K314-D337 PolarHBondContact NZ-OD2 2.66Å
315P87.6Confident83Confident6 Ų657 Ų574%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-65.4145.8175.630-36.6000111.7F220 L294 Y295 L296 F317 I333F220-P315 HydrophobicContact CE1-CG 4.32Å; F220-P315 HydrophobicContact CE2-CG 4.2Å; F220-P315 HydrophobicContact CZ-CG 3.94Å; L294-P315 HydrophobicContact CD1-CB 4.11Å; Y295-P315 CarbonylContact O-C 3.39Å; Y295-P315 WeakPolarHBondContact O-CA 3.23Å; L296-P315 HydrophobicContact CD2-CB 4.3Å; P315-F317 HydrophobicContact CB-CD2 4.04Å; P315-F317 HydrophobicContact CB-CE1 4.42Å; P315-F317 HydrophobicContact CB-CE2 3.37Å; P315-F317 HydrophobicContact CB-CZ 3.57Å; P315-F317 HydrophobicContact CG-CD2 4.25Å; P315-F317 HydrophobicContact CG-CE2 3.59Å; P315-F317 HydrophobicContact CG-CZ 4.23Å; P315-I333 HydrophobicContact CG-CD1 3.65Å; P315-I333 HydrophobicContact CG-CG1 4.21Å
316N84Confident82.7Confident38 Ų3850.6 Ų50.620%0.20326%0.263CS..  trans-111.484.7-173.9179.179000110.1Y295 K297 K339Y295-N316 WeakPolarHBondContact O-CB 3.44Å; Y295-N316 PolarHBondContact O-N 2.87Å; K297-N316 HydrophobicContact CB-CB 4.02Å; N316-K339 PolarHBondContact OD1-NZ 3.25Å
317F77.2Confident82.2Confident27 Ų2747.5 Ų47.512%0.11827%0.266CS..  trans-95.8150.8175.4-56.5-57000112.7L294 P315 F323 F326 L328 I333 M343L294-F317 HydrophobicContact CD1-CE1 3.87Å; L294-F317 HydrophobicContact CD1-CZ 3.7Å; P315-F317 HydrophobicContact CB-CD2 4.04Å; P315-F317 HydrophobicContact CB-CE1 4.42Å; P315-F317 HydrophobicContact CB-CE2 3.37Å; P315-F317 HydrophobicContact CB-CZ 3.57Å; P315-F317 HydrophobicContact CG-CD2 4.25Å; P315-F317 HydrophobicContact CG-CE2 3.59Å; P315-F317 HydrophobicContact CG-CZ 4.23Å; F317-F323 HydrophobicContact CB-CD2 4.02Å; F317-F323 HydrophobicContact CB-CE2 3.6Å; F317-F323 HydrophobicContact CD2-CD1 4.27Å; F317-F323 AromaticContact CD2-CD2 3.52Å; F317-F323 HydrophobicContact CD2-CD2 3.52Å; F317-F323 HydrophobicContact CD2-CE1 4Å; F317-F323 AromaticContact CD2-CE2 3.13Å; F317-F323 HydrophobicContact CD2-CE2 3.13Å; F317-F323 HydrophobicContact CD2-CG 4.08Å; F317-F323 AromaticContact CD2-CZ 3.44Å; F317-F323 HydrophobicContact CD2-CZ 3.44Å; F317-F323 VanDerWaalsContact CD2-CZ 3.44Å; F317-F323 HydrophobicContact CE2-CD1 4.2Å; F317-F323 HydrophobicContact CE2-CD2 4.12Å; F317-F323 HydrophobicContact CE2-CE1 4.15Å; F317-F323 AromaticContact CE2-CE2 3.99Å; F317-F323 HydrophobicContact CE2-CE2 3.99Å; F317-F323 HydrophobicContact CE2-CG 4.22Å; F317-F323 HydrophobicContact CE2-CZ 4.05Å; F317-F323 AromaticContact CG-CD2 3.83Å; F317-F323 HydrophobicContact CG-CD2 3.83Å; F317-F323 AromaticContact CG-CE2 3.62Å; F317-F323 HydrophobicContact CG-CE2 3.62Å; F317-F323 HydrophobicContact CG-CZ 4.35Å; F317-F326 HydrophobicContact CD1-CD2 4.49Å; F317-F326 AromaticContact CE1-CD2 3.49Å; F317-F326 HydrophobicContact CE1-CD2 3.49Å; F317-F326 VanDerWaalsContact CE1-CD2 3.49Å; F317-F326 AromaticContact CE1-CE2 3.93Å; F317-F326 HydrophobicContact CE1-CE2 3.93Å; F317-F326 HydrophobicContact CE1-CG 4.37Å; F317-F326 HydrophobicContact CZ-CB 4.48Å; F317-F326 HydrophobicContact CZ-CD2 4.04Å; F317-L328 HydrophobicContact CE2-CD1 3.53Å; F317-L328 HydrophobicContact CZ-CD1 3.35Å; F317-I333 HydrophobicContact CD2-CD1 4.35Å; F317-I333 HydrophobicContact CE2-CD1 4.34Å; F317-M343 HydrophobicContact CB-SD 4.21Å
318S69.7Low81.6Confident91 Ų9144.4 Ų44.464%0.63625%0.245SC*.SBendtrans-105.7-25.9172.845.50000113
319E71.5Confident80.8Confident95 Ų9547 Ų4744%0.44426%0.259SS..SBendtrans-140.4147.4-171.3-66.5171.1-158.200110.1K321 S322E319-K321 VanDerWaalsContact C-N 3.25Å; E319-K321 PolarHBondContact O-N 3.21Å; E319-S322 WeakPolarHBondContact O-CB 3.28Å; E319-S322 PolarHBondContact O-N 3.17Å; E319-S322 VanDerWaalsContact O-N 3.13Å
320T71.7Confident79.8Confident53 Ų5351.1 Ų51.133%0.32528%0.281SS..THydrogen-bonded Turntrans-61-32.9177.948.90000113S322 F323 M343 D347T320-S322 PolarHBondContact O-N 3.35Å; T320-F323 WeakPolarHBondContact O-CB 3.45Å; T320-F323 PolarHBondContact O-N 2.99Å; T320-M343 HydrophobicContact CG2-CE 3.53Å; T320-M343 HydrophobicContact CG2-CG 4.2Å; T320-M343 HydrophobicContact CG2-SD 4.15Å; T320-M343 PolarHBondContact N-SD 3.04Å; T320-M343 VanDerWaalsContact N-SD 3.41Å; T320-D347 VanDerWaalsContact CB-OD2 3.24Å; T320-D347 WeakPolarHBondContact CB-OD2 3.42Å; T320-D347 WeakPolarHBondContact CG2-OD2 3.42Å; T320-D347 PolarHBondContact N-OD2 3.4Å; T320-D347 PolarHBondContact OG1-OD2 3.44Å
321K75.7Confident78.7Confident142 Ų14257.4 Ų57.462%0.61731%0.31SS*.Hα-helixtrans-54.1-37.3175.6-68.9-176.7178.2-177.90112.6E319 F323 I324 D325E319-K321 VanDerWaalsContact C-N 3.25Å; E319-K321 PolarHBondContact O-N 3.21Å; K321-F323 PolarHBondContact O-N 3.01Å; K321-I324 WeakPolarHBondContact O-CB 3.43Å; K321-I324 PolarHBondContact O-N 3.31Å; K321-I324 VanDerWaalsContact O-N 3.1Å; K321-D325 VanDerWaalsContact O-CG 3.31Å; K321-D325 PolarHBondContact O-N 3.42Å
322S76.1Confident77.7Confident5 Ų558.8 Ų58.84%0.03532%0.317CS..Hα-helixtrans-64.8-25.5179.7-60.20000112.7K291 E319 T320 F326K291-S322 PolarHBondContact NZ-OG 3.3Å; K291-S322 VanDerWaalsContact NZ-OG 3.14Å; E319-S322 WeakPolarHBondContact O-CB 3.28Å; E319-S322 PolarHBondContact O-N 3.17Å; E319-S322 VanDerWaalsContact O-N 3.13Å; T320-S322 PolarHBondContact O-N 3.35Å; S322-F326 WeakPolarHBondContact O-CD2 3.24Å; S322-F326 PolarHBondContact O-N 3.28Å
323F76Confident76.9Confident13 Ų1356.5 Ų56.56%0.05731%0.305CS..Hα-helixtrans-66.4-44.9173.4-82.2-109.6000111.5F317 T320 K321 D325 F326 G327 L328 I333 V340 M343F317-F323 HydrophobicContact CB-CD2 4.02Å; F317-F323 HydrophobicContact CB-CE2 3.6Å; F317-F323 HydrophobicContact CD2-CD1 4.27Å; F317-F323 AromaticContact CD2-CD2 3.52Å; F317-F323 HydrophobicContact CD2-CD2 3.52Å; F317-F323 HydrophobicContact CD2-CE1 4Å; F317-F323 AromaticContact CD2-CE2 3.13Å; F317-F323 HydrophobicContact CD2-CE2 3.13Å; F317-F323 HydrophobicContact CD2-CG 4.08Å; F317-F323 AromaticContact CD2-CZ 3.44Å; F317-F323 HydrophobicContact CD2-CZ 3.44Å; F317-F323 VanDerWaalsContact CD2-CZ 3.44Å; F317-F323 HydrophobicContact CE2-CD1 4.2Å; F317-F323 HydrophobicContact CE2-CD2 4.12Å; F317-F323 HydrophobicContact CE2-CE1 4.15Å; F317-F323 AromaticContact CE2-CE2 3.99Å; F317-F323 HydrophobicContact CE2-CE2 3.99Å; F317-F323 HydrophobicContact CE2-CG 4.22Å; F317-F323 HydrophobicContact CE2-CZ 4.05Å; F317-F323 AromaticContact CG-CD2 3.83Å; F317-F323 HydrophobicContact CG-CD2 3.83Å; F317-F323 AromaticContact CG-CE2 3.62Å; F317-F323 HydrophobicContact CG-CE2 3.62Å; F317-F323 HydrophobicContact CG-CZ 4.35Å; T320-F323 WeakPolarHBondContact O-CB 3.45Å; T320-F323 PolarHBondContact O-N 2.99Å; K321-F323 PolarHBondContact O-N 3.01Å; F323-D325 VanDerWaalsContact C-N 3.33Å; F323-F326 CarbonylContact O-C 3.59Å; F323-F326 PolarHBondContact O-N 2.94Å; F323-G327 PolarHBondContact O-N 3.43Å; F323-L328 HydrophobicContact CB-CB 4.49Å; F323-L328 HydrophobicContact CD1-CB 3.9Å; F323-L328 PolarHBondContact O-N 2.92Å; F323-I333 HydrophobicContact CD1-CD1 4.3Å; F323-I333 HydrophobicContact CE1-CD1 3.12Å; F323-I333 HydrophobicContact CE1-CG1 3.9Å; F323-I333 HydrophobicContact CE2-CD1 4.47Å; F323-I333 HydrophobicContact CZ-CD1 3.25Å; F323-I333 HydrophobicContact CZ-CG1 4.4Å; F323-V340 HydrophobicContact CZ-CG2 4.49Å; F323-M343 HydrophobicContact CD2-CE 3.7Å; F323-M343 HydrophobicContact CD2-SD 3.85Å; F323-M343 HydrophobicContact CE2-CE 3.16Å; F323-M343 HydrophobicContact CE2-SD 3.37Å; F323-M343 WeakPolarHBondContact CE2-SD 3.37Å; F323-M343 HydrophobicContact CZ-CE 3.77Å; F323-M343 HydrophobicContact CZ-SD 4.4Å
324I75.3Confident76.1Confident136 Ų13660.7 Ų60.770%0.69732%0.323SS*.Hα-helixtrans-62.6-44.4178.7-56.7174.4000109.6K321 F326 G327K321-I324 WeakPolarHBondContact O-CB 3.43Å; K321-I324 PolarHBondContact O-N 3.31Å; K321-I324 VanDerWaalsContact O-N 3.1Å; I324-F326 PolarHBondContact O-N 3.04Å; I324-G327 PolarHBondContact O-N 3.33Å
325D75.1Confident75.2Confident54 Ų5464.2 Ų64.229%0.28934%0.344SS..Hα-helixtrans-55.2-37.5177.4-62-16.6000112.2K291 K321 F323K291-D325 IonicContact NZ-OD2 2.73Å; K321-D325 VanDerWaalsContact O-CG 3.31Å; K321-D325 PolarHBondContact O-N 3.42Å; F323-D325 VanDerWaalsContact C-N 3.33Å
326F77.1Confident74.3Confident25 Ų2574.4 Ų74.411%0.1138%0.384CS..THydrogen-bonded Turntrans-95.88.8178.7-72.2-72.6000113.9F240 K291 I293 L294 F317 S322 F323 I324 L328F240-F326 HydrophobicContact CE1-CB 4.27Å; F240-F326 HydrophobicContact CE1-CD1 4.39Å; F240-F326 WeakPolarHBondContact CE1-O 3.44Å; F240-F326 HydrophobicContact CZ-CB 4.27Å; F240-F326 WeakPolarHBondContact CZ-O 3.35Å; K291-F326 HydrophobicContact CB-CE2 4.4Å; K291-F326 HydrophobicContact CB-CZ 3.93Å; K291-F326 HydrophobicContact CD-CE2 4.36Å; I293-F326 WeakPolarHBondContact O-CZ 3.28Å; L294-F326 HydrophobicContact CB-CD1 4.46Å; L294-F326 HydrophobicContact CB-CE1 4.05Å; L294-F326 HydrophobicContact CB-CZ 4.42Å; L294-F326 HydrophobicContact CD1-CD1 4.15Å; L294-F326 HydrophobicContact CD1-CD2 4.15Å; L294-F326 HydrophobicContact CD1-CE1 4.29Å; L294-F326 HydrophobicContact CD1-CE2 4.31Å; L294-F326 HydrophobicContact CD1-CG 4.1Å; L294-F326 HydrophobicContact CD1-CZ 4.37Å; F317-F326 HydrophobicContact CD1-CD2 4.49Å; F317-F326 AromaticContact CE1-CD2 3.49Å; F317-F326 HydrophobicContact CE1-CD2 3.49Å; F317-F326 VanDerWaalsContact CE1-CD2 3.49Å; F317-F326 AromaticContact CE1-CE2 3.93Å; F317-F326 HydrophobicContact CE1-CE2 3.93Å; F317-F326 HydrophobicContact CE1-CG 4.37Å; F317-F326 HydrophobicContact CZ-CB 4.48Å; F317-F326 HydrophobicContact CZ-CD2 4.04Å; S322-F326 WeakPolarHBondContact O-CD2 3.24Å; S322-F326 PolarHBondContact O-N 3.28Å; F323-F326 CarbonylContact O-C 3.59Å; F323-F326 PolarHBondContact O-N 2.94Å; I324-F326 PolarHBondContact O-N 3.04Å; F326-L328 HydrophobicContact CB-CD1 3.96Å; F326-L328 HydrophobicContact CB-CG 4.32Å; F326-L328 PolarHBondContact O-N 3.29Å
327G75.3Confident73.6Confident48 Ų4873.4 Ų73.450%0.49538%0.378SS..THydrogen-bonded Turntrans59.329.2-179.200000114R236 F323 I324R236-G327 PolarHBondContact NH2-O 2.86Å; F323-G327 PolarHBondContact O-N 3.43Å; I324-G327 PolarHBondContact O-N 3.33Å
328L79.9Confident73.3Confident4 Ų477 Ų772%0.02140%0.398CS..  trans-97.3142178.2-71.4162.7000110.5F220 R236 F240 F317 F323 F326 D332F220-L328 HydrophobicContact CZ-CD2 4.31Å; R236-L328 HydrophobicContact CG-CD2 4.16Å; F240-L328 HydrophobicContact CE2-CD1 4.37Å; F240-L328 HydrophobicContact CE2-CD2 4.09Å; F240-L328 HydrophobicContact CE2-CG 4.44Å; F240-L328 HydrophobicContact CZ-CD1 3.94Å; F240-L328 HydrophobicContact CZ-CD2 3.96Å; F240-L328 HydrophobicContact CZ-CG 3.88Å; F317-L328 HydrophobicContact CE2-CD1 3.53Å; F317-L328 HydrophobicContact CZ-CD1 3.35Å; F323-L328 HydrophobicContact CB-CB 4.49Å; F323-L328 HydrophobicContact CD1-CB 3.9Å; F323-L328 PolarHBondContact O-N 2.92Å; F326-L328 HydrophobicContact CB-CD1 3.96Å; F326-L328 HydrophobicContact CB-CG 4.32Å; F326-L328 PolarHBondContact O-N 3.29Å; L328-D332 WeakPolarHBondContact CA-OD2 3.44Å; L328-D332 HydrophobicContact CD2-CB 3.83Å
329N75.1Confident73.2Confident96 Ų9675.3 Ų75.351%0.51338%0.379SS..  trans-109.2166.8176.1-70.1-26.4000110.2H331 D332N329-H331 WeakPolarHBondContact CB-CE1 3.46Å; N329-H331 VanDerWaalsContact CB-ND1 3.27Å; N329-H331 WeakPolarHBondContact CB-ND1 3.24Å; N329-H331 PolarHBondContact O-N 3.39Å; N329-D332 PolarHBondContact N-OD2 2.81Å; N329-D332 WeakPolarHBondContact O-CB 3.33Å; N329-D332 PolarHBondContact O-N 2.72Å
330L72.1Confident73.2Confident88 Ų8871.4 Ų71.446%0.46136%0.361SS..G310 helixtrans-63.1-26.8179-14175.5000112.9D332 I333 V340 I344L330-D332 PolarHBondContact O-N 3.1Å; L330-I333 PolarHBondContact O-N 2.76Å; L330-V340 HydrophobicContact CD1-CG1 3.8Å; L330-V340 HydrophobicContact CG-CG1 4.34Å; L330-I344 HydrophobicContact CD1-CD1 4.23Å; L330-I344 HydrophobicContact CD2-CD1 4.25Å
331H71.8Confident73Confident140 Ų14074.3 Ų74.365%0.64837%0.371SS*.G310 helixtrans-68.2-18.6174.870.5-0.4000113.7N329 I333N329-H331 WeakPolarHBondContact CB-CE1 3.46Å; N329-H331 VanDerWaalsContact CB-ND1 3.27Å; N329-H331 WeakPolarHBondContact CB-ND1 3.24Å; N329-H331 PolarHBondContact O-N 3.39Å; H331-I333 PolarHBondContact O-N 3.37Å
332D72.4Confident72.7Confident30 Ų3072.9 Ų72.916%0.1637%0.365CS..G310 helixtrans-80.9-6.9-176.5-63.9-40.9000112R236 L328 N329 L330R236-D332 IonicContact NH2-OD2 2.85Å; L328-D332 WeakPolarHBondContact CA-OD2 3.44Å; L328-D332 HydrophobicContact CD2-CB 3.83Å; N329-D332 PolarHBondContact N-OD2 2.81Å; N329-D332 WeakPolarHBondContact O-CB 3.33Å; N329-D332 PolarHBondContact O-N 2.72Å; L330-D332 PolarHBondContact O-N 3.1Å
333I74.9Confident72.4Confident13 Ų1373.2 Ų73.27%0.06737%0.366CS..SBendtrans-124146.1-178.3-53.7-167000109.3P315 F317 F323 L330 H331 L335 D337 V340P315-I333 HydrophobicContact CG-CD1 3.65Å; P315-I333 HydrophobicContact CG-CG1 4.21Å; F317-I333 HydrophobicContact CD2-CD1 4.35Å; F317-I333 HydrophobicContact CE2-CD1 4.34Å; F323-I333 HydrophobicContact CD1-CD1 4.3Å; F323-I333 HydrophobicContact CE1-CD1 3.12Å; F323-I333 HydrophobicContact CE1-CG1 3.9Å; F323-I333 HydrophobicContact CE2-CD1 4.47Å; F323-I333 HydrophobicContact CZ-CD1 3.25Å; F323-I333 HydrophobicContact CZ-CG1 4.4Å; L330-I333 PolarHBondContact O-N 2.76Å; H331-I333 PolarHBondContact O-N 3.37Å; I333-L335 PolarHBondContact O-N 3.24Å; I333-L335 VanDerWaalsContact O-N 3.13Å; I333-D337 HydrophobicContact CG2-CB 4.41Å; I333-V340 HydrophobicContact CB-CG2 4.26Å; I333-V340 HydrophobicContact CD1-CG2 4.33Å; I333-V340 HydrophobicContact CG2-CG2 3.62Å
334N73.4Confident72Confident108 Ų10875.8 Ų75.858%0.57838%0.38SS*.  trans-54.2119.2173.5-64.8-21.4000110.9Y336 D337N334-Y336 PolarHBondContact O-N 3.1Å; N334-Y336 VanDerWaalsContact O-N 3.14Å; N334-D337 VanDerWaalsContact O-CB 3.24Å; N334-D337 WeakPolarHBondContact O-CB 3.49Å; N334-D337 PolarHBondContact O-N 3.44Å
335L66.8Low71.6Confident136 Ų13673.1 Ų73.171%0.71237%0.366SS*.THydrogen-bonded Turntrans-57.9-28.2-178.7-67.4169.9000113.4I333 D337I333-L335 PolarHBondContact O-N 3.24Å; I333-L335 VanDerWaalsContact O-N 3.13Å; L335-D337 PolarHBondContact O-N 3.43Å
336Y69.2Low71.3Confident221 Ų22171.7 Ų71.787%0.86736%0.364SS*.THydrogen-bonded Turntrans-80.87.4178.5-53.7-75.6000114N334 I338N334-Y336 PolarHBondContact O-N 3.1Å; N334-Y336 VanDerWaalsContact O-N 3.14Å; Y336-I338 PolarHBondContact O-N 3.18Å
337D70.2Confident71Confident17 Ų1772.6 Ų72.69%0.09137%0.37CS..  trans-75.6109.8179-173.33.8000112.1K314 I333 N334 L335 K339 V340 E341K314-D337 WeakPolarHBondContact CD-OD2 3.28Å; K314-D337 VanDerWaalsContact CE-OD2 3.23Å; K314-D337 WeakPolarHBondContact CE-OD2 3.43Å; K314-D337 IonicContact NZ-OD1 3.59Å; K314-D337 PolarHBondContact NZ-OD1 3.07Å; K314-D337 IonicContact NZ-OD2 3.64Å; K314-D337 PolarHBondContact NZ-OD2 2.66Å; I333-D337 HydrophobicContact CG2-CB 4.41Å; N334-D337 VanDerWaalsContact O-CB 3.24Å; N334-D337 WeakPolarHBondContact O-CB 3.49Å; N334-D337 PolarHBondContact O-N 3.44Å; L335-D337 PolarHBondContact O-N 3.43Å; D337-K339 PolarHBondContact O-N 2.75Å; D337-K339 WeakPolarHBondContact OD1-CB 3.46Å; D337-K339 PolarHBondContact OD1-N 2.86Å; D337-V340 HydrophobicContact CB-CB 4.36Å; D337-V340 HydrophobicContact CB-CG2 3.96Å; D337-V340 PolarHBondContact O-N 2.76Å; D337-E341 PolarHBondContact O-N 3.49Å; D337-E341 VanDerWaalsContact O-N 3.15Å
338I69.3Low70.6Confident103 Ų10374.9 Ų74.953%0.52837%0.37SS..Hα-helixtrans-48.7-30.9172.5-60.4168000112.2Y336 K342Y336-I338 PolarHBondContact O-N 3.18Å; I338-K342 HydrophobicContact CG2-CD 3.92Å; I338-K342 HydrophobicContact CG2-CG 4.21Å; I338-K342 VanDerWaalsContact O-CB 3.23Å; I338-K342 WeakPolarHBondContact O-CB 3.46Å; I338-K342 WeakPolarHBondContact O-CG 3.25Å; I338-K342 PolarHBondContact O-N 3.25Å
339K69Low70.1Confident54 Ų5478.4 Ų78.424%0.23539%0.392CS..Hα-helixtrans-70.9-38.9176.9-79.9-167.5168.6-154.20113.4N316 D337 E341 K342 M343N316-K339 PolarHBondContact OD1-NZ 3.25Å; D337-K339 PolarHBondContact O-N 2.75Å; D337-K339 WeakPolarHBondContact OD1-CB 3.46Å; D337-K339 PolarHBondContact OD1-N 2.86Å; K339-E341 VanDerWaalsContact C-N 3.35Å; K339-K342 PolarHBondContact O-N 3.47Å; K339-M343 VanDerWaalsContact O-CB 3.29Å; K339-M343 WeakPolarHBondContact O-CB 3.32Å; K339-M343 PolarHBondContact O-N 2.66Å
340V70Confident70Confident13 Ų1376.8 Ų76.88%0.07939%0.388CS..Hα-helixtrans-65.3-46.3176.2176.40000108.8F323 L330 I333 D337 K342 M343 I344F323-V340 HydrophobicContact CZ-CG2 4.49Å; L330-V340 HydrophobicContact CD1-CG1 3.8Å; L330-V340 HydrophobicContact CG-CG1 4.34Å; I333-V340 HydrophobicContact CB-CG2 4.26Å; I333-V340 HydrophobicContact CD1-CG2 4.33Å; I333-V340 HydrophobicContact CG2-CG2 3.62Å; D337-V340 HydrophobicContact CB-CB 4.36Å; D337-V340 HydrophobicContact CB-CG2 3.96Å; D337-V340 PolarHBondContact O-N 2.76Å; V340-K342 PolarHBondContact O-N 3.13Å; V340-M343 PolarHBondContact O-N 2.92Å; V340-I344 HydrophobicContact CG1-CD1 3.91Å; V340-I344 VanDerWaalsContact O-CG1 3.31Å; V340-I344 WeakPolarHBondContact O-CG1 3.41Å; V340-I344 PolarHBondContact O-N 3.16Å
341E68.7Low69.9Low114 Ų11479.8 Ų79.853%0.53340%0.397SS..Hα-helixtrans-55.9-50.5173.3-170.5-169.6173.300111.5D337 K339 M343 I344 I345D337-E341 PolarHBondContact O-N 3.49Å; D337-E341 VanDerWaalsContact O-N 3.15Å; K339-E341 VanDerWaalsContact C-N 3.35Å; E341-M343 VanDerWaalsContact C-N 3.33Å; E341-M343 PolarHBondContact O-N 3.28Å; E341-I344 PolarHBondContact O-N 3.01Å; E341-I345 HydrophobicContact CG-CD1 3.8Å; E341-I345 WeakPolarHBondContact O-CB 3.39Å; E341-I345 VanDerWaalsContact O-CG1 3.26Å; E341-I345 WeakPolarHBondContact O-CG1 3.28Å; E341-I345 PolarHBondContact O-N 2.88Å
342K68.1Low70Confident112 Ų11277.6 Ų77.649%0.48739%0.39SS..Hα-helixtrans-62.1-35.5177.3-80.5177.4179.6-179.80113.6I338 K339 V340 G346I338-K342 HydrophobicContact CG2-CD 3.92Å; I338-K342 HydrophobicContact CG2-CG 4.21Å; I338-K342 VanDerWaalsContact O-CB 3.23Å; I338-K342 WeakPolarHBondContact O-CB 3.46Å; I338-K342 WeakPolarHBondContact O-CG 3.25Å; I338-K342 PolarHBondContact O-N 3.25Å; K339-K342 PolarHBondContact O-N 3.47Å; V340-K342 PolarHBondContact O-N 3.13Å; K342-G346 VanDerWaalsContact O-CA 3.31Å; K342-G346 WeakPolarHBondContact O-CA 3.46Å; K342-G346 PolarHBondContact O-N 2.95Å
343M69.8Low70.1Confident13 Ų1380.5 Ų80.56%0.06441%0.405CS..Hα-helixtrans-68.1-47.1177.6-177.7-171.166.800110.4F317 T320 F323 K339 V340 E341 G346 D347F317-M343 HydrophobicContact CB-SD 4.21Å; T320-M343 HydrophobicContact CG2-CE 3.53Å; T320-M343 HydrophobicContact CG2-CG 4.2Å; T320-M343 HydrophobicContact CG2-SD 4.15Å; T320-M343 PolarHBondContact N-SD 3.04Å; T320-M343 VanDerWaalsContact N-SD 3.41Å; F323-M343 HydrophobicContact CD2-CE 3.7Å; F323-M343 HydrophobicContact CD2-SD 3.85Å; F323-M343 HydrophobicContact CE2-CE 3.16Å; F323-M343 HydrophobicContact CE2-SD 3.37Å; F323-M343 WeakPolarHBondContact CE2-SD 3.37Å; F323-M343 HydrophobicContact CZ-CE 3.77Å; F323-M343 HydrophobicContact CZ-SD 4.4Å; K339-M343 VanDerWaalsContact O-CB 3.29Å; K339-M343 WeakPolarHBondContact O-CB 3.32Å; K339-M343 PolarHBondContact O-N 2.66Å; V340-M343 PolarHBondContact O-N 2.92Å; E341-M343 VanDerWaalsContact C-N 3.33Å; E341-M343 PolarHBondContact O-N 3.28Å; M343-G346 PolarHBondContact O-N 3.23Å; M343-D347 PolarHBondContact O-N 3.3Å
344I69Low70.2Confident66 Ų6685.6 Ų85.634%0.33843%0.432SS..Hα-helixtrans-60.5-48.5176.4-65.3167.2000110.4L330 V340 E341 G346 D347 I348L330-I344 HydrophobicContact CD1-CD1 4.23Å; L330-I344 HydrophobicContact CD2-CD1 4.25Å; V340-I344 HydrophobicContact CG1-CD1 3.91Å; V340-I344 VanDerWaalsContact O-CG1 3.31Å; V340-I344 WeakPolarHBondContact O-CG1 3.41Å; V340-I344 PolarHBondContact O-N 3.16Å; E341-I344 PolarHBondContact O-N 3.01Å; I344-G346 VanDerWaalsContact C-N 3.31Å; I344-G346 PolarHBondContact O-N 3.46Å; I344-D347 PolarHBondContact O-N 3.47Å; I344-I348 HydrophobicContact CG2-CD1 4.38Å; I344-I348 WeakPolarHBondContact O-CG1 3.36Å; I344-I348 PolarHBondContact O-N 3.5Å
345I65.4Low70.6Confident80 Ų8083.9 Ų83.941%0.4143%0.425SS..Hα-helixtrans-62.6-41.4175.9-67.2171.3000110.4E341 D347 I348 V349E341-I345 HydrophobicContact CG-CD1 3.8Å; E341-I345 WeakPolarHBondContact O-CB 3.39Å; E341-I345 VanDerWaalsContact O-CG1 3.26Å; E341-I345 WeakPolarHBondContact O-CG1 3.28Å; E341-I345 PolarHBondContact O-N 2.88Å; I345-D347 PolarHBondContact O-N 3.1Å; I345-I348 PolarHBondContact O-N 3.05Å; I345-V349 HydrophobicContact CG2-CG2 3.84Å; I345-V349 WeakPolarHBondContact O-CB 3.4Å; I345-V349 VanDerWaalsContact O-CG2 3.27Å; I345-V349 WeakPolarHBondContact O-CG2 3.45Å; I345-V349 PolarHBondContact O-N 2.9Å
346G69.2Low71.2Confident25 Ų2582.5 Ų82.526%0.25842%0.418SS..Hα-helixtrans-60.1-42.3-179.200000112.6K342 M343 I344 V349 S350K342-G346 VanDerWaalsContact O-CA 3.31Å; K342-G346 WeakPolarHBondContact O-CA 3.46Å; K342-G346 PolarHBondContact O-N 2.95Å; M343-G346 PolarHBondContact O-N 3.23Å; I344-G346 VanDerWaalsContact C-N 3.31Å; I344-G346 PolarHBondContact O-N 3.46Å; G346-V349 PolarHBondContact O-N 3.38Å; G346-S350 WeakPolarHBondContact O-CB 3.48Å; G346-S350 PolarHBondContact O-N 3.1Å; G346-S350 PolarHBondContact O-OG 3.2Å
347D70.8Confident71.9Confident44 Ų4475.7 Ų75.724%0.23540%0.396CS..Hα-helixtrans-65.8-38.4176.4-75-19.9000112T320 M343 I344 I345 K351T320-D347 VanDerWaalsContact CB-OD2 3.24Å; T320-D347 WeakPolarHBondContact CB-OD2 3.42Å; T320-D347 WeakPolarHBondContact CG2-OD2 3.42Å; T320-D347 PolarHBondContact N-OD2 3.4Å; T320-D347 PolarHBondContact OG1-OD2 3.44Å; M343-D347 PolarHBondContact O-N 3.3Å; I344-D347 PolarHBondContact O-N 3.47Å; I345-D347 PolarHBondContact O-N 3.1Å; D347-K351 WeakPolarHBondContact O-CG 3.5Å; D347-K351 PolarHBondContact O-N 2.97Å
348I67.9Low72.5Confident95 Ų9579.7 Ų79.749%0.48741%0.414SS..Hα-helixtrans-67.5-48.3175.5-63.8167.2000110.7I344 I345 K351 N352I344-I348 HydrophobicContact CG2-CD1 4.38Å; I344-I348 WeakPolarHBondContact O-CG1 3.36Å; I344-I348 PolarHBondContact O-N 3.5Å; I345-I348 PolarHBondContact O-N 3.05Å; I348-K351 PolarHBondContact O-N 3.42Å; I348-N352 PolarHBondContact O-N 3.09Å; I348-N352 VanDerWaalsContact O-N 3.13Å; I348-N352 PolarHBondContact O-ND2 3.26Å
349V69.2Low73.2Confident78 Ų7880.5 Ų80.547%0.47341%0.414SS..Hα-helixtrans-66-39.6-178.8172.70000111I345 G346 N352 L353I345-V349 HydrophobicContact CG2-CG2 3.84Å; I345-V349 WeakPolarHBondContact O-CB 3.4Å; I345-V349 VanDerWaalsContact O-CG2 3.27Å; I345-V349 WeakPolarHBondContact O-CG2 3.45Å; I345-V349 PolarHBondContact O-N 2.9Å; G346-V349 PolarHBondContact O-N 3.38Å; V349-N352 PolarHBondContact O-N 3.43Å; V349-L353 VanDerWaalsContact O-CB 3.3Å; V349-L353 WeakPolarHBondContact O-CB 3.45Å; V349-L353 PolarHBondContact O-N 3.26Å
350S72.3Confident73.9Confident62 Ų6284.1 Ų84.143%0.43443%0.432SS..Hα-helixtrans-63.4-43.5179.3-61.70000111.6G346 N352 L353 L354G346-S350 WeakPolarHBondContact O-CB 3.48Å; G346-S350 PolarHBondContact O-N 3.1Å; G346-S350 PolarHBondContact O-OG 3.2Å; S350-N352 PolarHBondContact O-N 2.92Å; S350-L353 PolarHBondContact O-N 3.34Å; S350-L354 WeakPolarHBondContact O-CG 3.37Å; S350-L354 PolarHBondContact O-N 3.41Å
351K70.4Confident74.6Confident151 Ų15190.6 Ų90.666%0.65746%0.459SS*.Hα-helixtrans-60.1-46.4173.3-73.5177.4-178.41780111.6D347 I348 L353 L354 V355D347-K351 WeakPolarHBondContact O-CG 3.5Å; D347-K351 PolarHBondContact O-N 2.97Å; I348-K351 PolarHBondContact O-N 3.42Å; K351-L353 PolarHBondContact O-N 3.42Å; K351-L354 PolarHBondContact O-N 3.02Å; K351-V355 WeakPolarHBondContact O-CG2 3.48Å; K351-V355 PolarHBondContact O-N 2.88Å
352N74.8Confident75.4Confident94 Ų9492.2 Ų92.250%0.50346%0.46SS..Hα-helixtrans-63.5-40177.9-72.5-28.1000112.5I348 V349 S350 V355 L356I348-N352 PolarHBondContact O-N 3.09Å; I348-N352 VanDerWaalsContact O-N 3.13Å; I348-N352 PolarHBondContact O-ND2 3.26Å; V349-N352 PolarHBondContact O-N 3.43Å; S350-N352 PolarHBondContact O-N 2.92Å; N352-V355 PolarHBondContact O-N 3.49Å; N352-L356 WeakPolarHBondContact O-CB 3.36Å; N352-L356 VanDerWaalsContact O-CG 3.29Å; N352-L356 WeakPolarHBondContact O-CG 3.48Å; N352-L356 PolarHBondContact O-N 3.3Å
353L74.4Confident76.2Confident92 Ų9294 Ų9448%0.48247%0.468SS..Hα-helixtrans-64.7-42.3178.9-178.362.2000111.4V349 S350 K351 V355 L356 L357V349-L353 VanDerWaalsContact O-CB 3.3Å; V349-L353 WeakPolarHBondContact O-CB 3.45Å; V349-L353 PolarHBondContact O-N 3.26Å; S350-L353 PolarHBondContact O-N 3.34Å; K351-L353 PolarHBondContact O-N 3.42Å; L353-V355 PolarHBondContact O-N 3.45Å; L353-L356 PolarHBondContact O-N 3.35Å; L353-L357 HydrophobicContact CD1-CD1 4.45Å; L353-L357 HydrophobicContact CD1-CG 4.33Å; L353-L357 HydrophobicContact CG-CD1 4.1Å; L353-L357 HydrophobicContact CG-CG 4.43Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.25Å; L353-L357 PolarHBondContact O-N 3.44Å
354L76.4Confident76.9Confident120 Ų12097 Ų9763%0.62849%0.491SS*.Hα-helixtrans-59.6-46.1175.2-72171.2000111.6S350 K351 L356 L357 E358S350-L354 WeakPolarHBondContact O-CG 3.37Å; S350-L354 PolarHBondContact O-N 3.41Å; K351-L354 PolarHBondContact O-N 3.02Å; L354-L356 VanDerWaalsContact C-N 3.33Å; L354-L356 PolarHBondContact O-N 3.34Å; L354-L357 PolarHBondContact O-N 3.05Å; L354-E358 PolarHBondContact O-N 2.96Å
355V80.9Confident77.8Confident71 Ų71101.2 Ų101.243%0.4351%0.506SS..Hα-helixtrans-61.6-41.6176.2173.70000111.4K351 N352 L353 E358 K359K351-V355 WeakPolarHBondContact O-CG2 3.48Å; K351-V355 PolarHBondContact O-N 2.88Å; N352-V355 PolarHBondContact O-N 3.49Å; L353-V355 PolarHBondContact O-N 3.45Å; V355-E358 PolarHBondContact O-N 3.31Å; V355-K359 HydrophobicContact CG1-CD 4.32Å; V355-K359 WeakPolarHBondContact O-CB 3.28Å; V355-K359 WeakPolarHBondContact O-CG 3.43Å; V355-K359 PolarHBondContact O-N 2.94Å
356L81Confident78.9Confident107 Ų107103.1 Ų103.156%0.5651%0.514SS*.Hα-helixtrans-66.7-42.1177.8-73.6170.4000112.4N352 L353 L354 E358 K359 Q360N352-L356 WeakPolarHBondContact O-CB 3.36Å; N352-L356 VanDerWaalsContact O-CG 3.29Å; N352-L356 WeakPolarHBondContact O-CG 3.48Å; N352-L356 PolarHBondContact O-N 3.3Å; L353-L356 PolarHBondContact O-N 3.35Å; L354-L356 VanDerWaalsContact C-N 3.33Å; L354-L356 PolarHBondContact O-N 3.34Å; L356-E358 VanDerWaalsContact C-N 3.33Å; L356-E358 PolarHBondContact O-N 3.18Å; L356-K359 PolarHBondContact O-N 3.27Å; L356-Q360 WeakPolarHBondContact O-CB 3.21Å; L356-Q360 PolarHBondContact O-N 2.68Å
357L82.4Confident79.8Confident79 Ų79107.7 Ų107.741%0.41453%0.532SS..Hα-helixtrans-62.7-41.2176.3-75.6171.2000111.4L353 L354 Q360 K361L353-L357 HydrophobicContact CD1-CD1 4.45Å; L353-L357 HydrophobicContact CD1-CG 4.33Å; L353-L357 HydrophobicContact CG-CD1 4.1Å; L353-L357 HydrophobicContact CG-CG 4.43Å; L353-L357 WeakPolarHBondContact O-CB 3.36Å; L353-L357 VanDerWaalsContact O-CG 3.3Å; L353-L357 WeakPolarHBondContact O-CG 3.25Å; L353-L357 PolarHBondContact O-N 3.44Å; L354-L357 PolarHBondContact O-N 3.05Å; L357-Q360 PolarHBondContact O-N 3.3Å; L357-K361 WeakPolarHBondContact O-CG 3.43Å; L357-K361 PolarHBondContact O-N 3.3Å
358E82.6Confident80.4Confident100 Ų100109.6 Ų109.647%0.46755%0.548SS..Hα-helixtrans-64.9-43.6175.8-162.7-175.7171.800111.5L354 V355 L356 Q360 K361 R362L354-E358 PolarHBondContact O-N 2.96Å; V355-E358 PolarHBondContact O-N 3.31Å; L356-E358 VanDerWaalsContact C-N 3.33Å; L356-E358 PolarHBondContact O-N 3.18Å; E358-Q360 VanDerWaalsContact C-N 3.33Å; E358-Q360 PolarHBondContact O-N 2.92Å; E358-K361 PolarHBondContact O-N 3.01Å; E358-R362 WeakPolarHBondContact O-CG 3.32Å; E358-R362 PolarHBondContact O-N 2.78Å; E358-R362 IonicContact OE1-CZ 3.17Å; E358-R362 IonicContact OE1-NE 3.52Å; E358-R362 IonicContact OE1-NH2 3.83Å; E358-R362 PolarHBondContact OE1-NH2 3.19Å
359K84.6Confident81.4Confident120 Ų120112.2 Ų112.252%0.52256%0.556SS.*Hα-helixtrans-58.7-42.7173-75.6178.8-179.7-1740111.9V355 L356 R362 K363V355-K359 HydrophobicContact CG1-CD 4.32Å; V355-K359 WeakPolarHBondContact O-CB 3.28Å; V355-K359 WeakPolarHBondContact O-CG 3.43Å; V355-K359 PolarHBondContact O-N 2.94Å; L356-K359 PolarHBondContact O-N 3.27Å; K359-R362 PolarHBondContact O-N 3.13Å; K359-K363 WeakPolarHBondContact O-CG 3.14Å; K359-K363 PolarHBondContact O-N 3.21Å
360Q84Confident82.5Confident131 Ų131113.7 Ų113.761%0.61256%0.56SS**Hα-helixtrans-63.7-44.4177.1-175.3178.5-5.500111.7L356 L357 E358 R362 K363 S364L356-Q360 WeakPolarHBondContact O-CB 3.21Å; L356-Q360 PolarHBondContact O-N 2.68Å; L357-Q360 PolarHBondContact O-N 3.3Å; E358-Q360 VanDerWaalsContact C-N 3.33Å; E358-Q360 PolarHBondContact O-N 2.92Å; Q360-R362 VanDerWaalsContact C-N 3.33Å; Q360-R362 PolarHBondContact O-N 3.24Å; Q360-K363 PolarHBondContact O-N 3.45Å; Q360-S364 WeakPolarHBondContact O-CB 3.49Å; Q360-S364 PolarHBondContact O-N 3.02Å
361K84.2Confident83.2Confident148 Ų148113.4 Ų113.464%0.64356%0.562SS**Hα-helixtrans-59.8-41.3175.3-76.5-178.8178.1-179.40112.1L357 E358 S364 K365L357-K361 WeakPolarHBondContact O-CG 3.43Å; L357-K361 PolarHBondContact O-N 3.3Å; E358-K361 PolarHBondContact O-N 3.01Å; K361-S364 PolarHBondContact O-N 3.18Å; K361-K365 WeakPolarHBondContact O-CG 3.39Å; K361-K365 PolarHBondContact O-N 3.16Å
362R85.3Confident84.1Confident148 Ų148114.5 Ų114.556%0.55856%0.562SS**Hα-helixtrans-63.2-45.8176.3-71.3179.3-174.1171.82111.9E358 K359 Q360 S364 K365 Q366E358-R362 WeakPolarHBondContact O-CG 3.32Å; E358-R362 PolarHBondContact O-N 2.78Å; E358-R362 IonicContact OE1-CZ 3.17Å; E358-R362 IonicContact OE1-NE 3.52Å; E358-R362 IonicContact OE1-NH2 3.83Å; E358-R362 PolarHBondContact OE1-NH2 3.19Å; K359-R362 PolarHBondContact O-N 3.13Å; Q360-R362 VanDerWaalsContact C-N 3.33Å; Q360-R362 PolarHBondContact O-N 3.24Å; R362-S364 PolarHBondContact O-N 3.44Å; R362-K365 PolarHBondContact O-N 2.92Å; R362-Q366 WeakPolarHBondContact O-CG 3.32Å; R362-Q366 PolarHBondContact O-N 3.38Å
363K86.6Confident84.9Confident149 Ų149116.6 Ų116.665%0.64857%0.567SS**Hα-helixtrans-61.2-43176.2-72.9-174.2177.1-171.20112.3K359 Q360 Q366 L367K359-K363 WeakPolarHBondContact O-CG 3.14Å; K359-K363 PolarHBondContact O-N 3.21Å; Q360-K363 PolarHBondContact O-N 3.45Å; K363-Q366 PolarHBondContact O-N 3.17Å; K363-L367 WeakPolarHBondContact O-CB 3.46Å; K363-L367 PolarHBondContact O-N 2.99Å
364S84.3Confident85.7Confident78 Ų78118.1 Ų118.155%0.54557%0.574SS.*Hα-helixtrans-61-45.1176.7173.80000112.1Q360 K361 R362 Q366 L367 S368Q360-S364 WeakPolarHBondContact O-CB 3.49Å; Q360-S364 PolarHBondContact O-N 3.02Å; K361-S364 PolarHBondContact O-N 3.18Å; R362-S364 PolarHBondContact O-N 3.44Å; S364-Q366 PolarHBondContact O-N 3.34Å; S364-L367 PolarHBondContact O-N 2.96Å; S364-S368 PolarHBondContact O-N 3.43Å; S364-S368 VanDerWaalsContact O-N 3.07Å
365K87.1Confident86.3Confident153 Ų153114.6 Ų114.667%0.66556%0.556SS**Hα-helixtrans-61.5-40174.8-72.9-178.6178.9-174.50112.8K361 R362 K369K361-K365 WeakPolarHBondContact O-CG 3.39Å; K361-K365 PolarHBondContact O-N 3.16Å; R362-K365 PolarHBondContact O-N 2.92Å; K365-K369 WeakPolarHBondContact O-CG 3.44Å; K365-K369 PolarHBondContact O-N 2.97Å
366Q88.1Confident86.7Confident121 Ų121115 Ų11557%0.56555%0.553SS**Hα-helixtrans-65.4-43.2176.2-74.3173.6-21.400111.7R362 K363 S364 S368 K369 I370R362-Q366 WeakPolarHBondContact O-CG 3.32Å; R362-Q366 PolarHBondContact O-N 3.38Å; K363-Q366 PolarHBondContact O-N 3.17Å; S364-Q366 PolarHBondContact O-N 3.34Å; Q366-S368 VanDerWaalsContact C-N 3.35Å; Q366-S368 PolarHBondContact O-N 3.17Å; Q366-K369 PolarHBondContact O-N 3.02Å; Q366-I370 WeakPolarHBondContact O-CG1 3.41Å; Q366-I370 PolarHBondContact O-N 2.8Å
367L88Confident87.2Confident121 Ų121115.1 Ų115.163%0.63455%0.551SS**Hα-helixtrans-61-43.6178.9-170.666.7000111.7K363 S364 K369 I370 A371K363-L367 WeakPolarHBondContact O-CB 3.46Å; K363-L367 PolarHBondContact O-N 2.99Å; S364-L367 PolarHBondContact O-N 2.96Å; L367-K369 VanDerWaalsContact C-N 3.34Å; L367-K369 PolarHBondContact O-N 3.49Å; L367-I370 PolarHBondContact O-N 3.13Å; L367-A371 WeakPolarHBondContact O-CB 3.42Å; L367-A371 PolarHBondContact O-N 2.94Å
368S83.9Confident87.6Confident84 Ų84116.8 Ų116.859%0.58755%0.552SS**Hα-helixtrans-60-41.5175.5176.40000112.5S364 Q366 A371 R372S364-S368 PolarHBondContact O-N 3.43Å; S364-S368 VanDerWaalsContact O-N 3.07Å; Q366-S368 VanDerWaalsContact C-N 3.35Å; Q366-S368 PolarHBondContact O-N 3.17Å; S368-A371 PolarHBondContact O-N 3.48Å; S368-R372 PolarHBondContact O-N 3.31Å; S368-R372 VanDerWaalsContact O-N 3.08Å
369K89.7Confident87.9Confident149 Ų149117.9 Ų117.965%0.64856%0.555SS**Hα-helixtrans-65-41.3175.5-70.6-179.2-179.8-174.20112.5K365 Q366 L367 R372 K373K365-K369 WeakPolarHBondContact O-CG 3.44Å; K365-K369 PolarHBondContact O-N 2.97Å; Q366-K369 PolarHBondContact O-N 3.02Å; L367-K369 VanDerWaalsContact C-N 3.34Å; L367-K369 PolarHBondContact O-N 3.49Å; K369-R372 PolarHBondContact O-N 2.74Å; K369-K373 WeakPolarHBondContact O-CG 3.49Å; K369-K373 PolarHBondContact O-N 2.83Å; K369-K373 VanDerWaalsContact O-N 3.15Å
370I91Very high88.2Confident109 Ų109117.8 Ų117.856%0.55956%0.555SS**Hα-helixtrans-64.9-44.3177.4-67.6167000110Q366 L367 R372 K373 L374Q366-I370 WeakPolarHBondContact O-CG1 3.41Å; Q366-I370 PolarHBondContact O-N 2.8Å; L367-I370 PolarHBondContact O-N 3.13Å; I370-R372 VanDerWaalsContact C-N 3.34Å; I370-R372 PolarHBondContact O-N 3.28Å; I370-K373 PolarHBondContact O-N 3.24Å; I370-L374 WeakPolarHBondContact O-CB 3.44Å; I370-L374 PolarHBondContact O-N 2.85Å
371A88Confident88.5Confident57 Ų57115.9 Ų115.947%0.47155%0.552SS.*Hα-helixtrans-59-43.1177.500000112.2L367 S368 L374 D375L367-A371 WeakPolarHBondContact O-CB 3.42Å; L367-A371 PolarHBondContact O-N 2.94Å; S368-A371 PolarHBondContact O-N 3.48Å; A371-L374 WeakPolarHBondContact O-CB 3.4Å; A371-L374 PolarHBondContact O-N 3.37Å; A371-D375 PolarHBondContact O-N 3.13Å
372R88Confident88.7Confident174 Ų174112.5 Ų112.566%0.65754%0.536SS*.Hα-helixtrans-63.4-46.8176.6-162.1-174.787.1-174.30.8112.4S368 K369 I370 L374 D375 E376S368-R372 PolarHBondContact O-N 3.31Å; S368-R372 VanDerWaalsContact O-N 3.08Å; K369-R372 PolarHBondContact O-N 2.74Å; I370-R372 VanDerWaalsContact C-N 3.34Å; I370-R372 PolarHBondContact O-N 3.28Å; R372-L374 VanDerWaalsContact C-N 3.29Å; R372-L374 PolarHBondContact O-N 3.23Å; R372-D375 PolarHBondContact O-N 2.9Å; R372-E376 IonicContact CZ-OE1 2.68Å; R372-E376 IonicContact NE-OE1 2.69Å; R372-E376 PolarHBondContact NE-OE1 3.25Å; R372-E376 IonicContact NH2-OE1 3.62Å; R372-E376 WeakPolarHBondContact O-CG 3.33Å; R372-E376 PolarHBondContact O-N 3.4Å
373K92.2Very high88.9Confident138 Ų138111 Ų11160%0.654%0.535SS*.Hα-helixtrans-61.8-38.8176.9-73.3-175.9176.8-171.70111.7K369 I370 E376 Q377K369-K373 WeakPolarHBondContact O-CG 3.49Å; K369-K373 PolarHBondContact O-N 2.83Å; K369-K373 VanDerWaalsContact O-N 3.15Å; I370-K373 PolarHBondContact O-N 3.24Å; K373-E376 PolarHBondContact O-N 2.79Å; K373-Q377 VanDerWaalsContact O-CG 3.29Å; K373-Q377 WeakPolarHBondContact O-CG 3.34Å; K373-Q377 PolarHBondContact O-N 2.89Å
374L91.6Very high89.1Confident123 Ų123108.8 Ų108.864%0.64453%0.53SS*.Hα-helixtrans-60.6-45.4176.6-169.887.3000110.9I370 A371 R372 Q377 R378I370-L374 WeakPolarHBondContact O-CB 3.44Å; I370-L374 PolarHBondContact O-N 2.85Å; A371-L374 WeakPolarHBondContact O-CB 3.4Å; A371-L374 PolarHBondContact O-N 3.37Å; R372-L374 VanDerWaalsContact C-N 3.29Å; R372-L374 PolarHBondContact O-N 3.23Å; L374-Q377 PolarHBondContact O-N 3.15Å; L374-R378 WeakPolarHBondContact O-CB 3.47Å; L374-R378 PolarHBondContact O-N 3.45Å
375D87.9Confident89.3Confident47 Ų47107.4 Ų107.425%0.25152%0.516SS..Hα-helixtrans-66.9-41.8179.4-169.760000112.5A371 R372 Q377 R378 K379A371-D375 PolarHBondContact O-N 3.13Å; R372-D375 PolarHBondContact O-N 2.9Å; D375-Q377 VanDerWaalsContact C-N 3.33Å; D375-Q377 PolarHBondContact O-N 2.8Å; D375-R378 PolarHBondContact O-N 3.03Å; D375-R378 IonicContact OD1-CZ 3.17Å; D375-R378 IonicContact OD1-NE 2.72Å; D375-R378 IonicContact OD1-NH2 3.2Å; D375-R378 PolarHBondContact OD1-NH2 3.42Å; D375-K379 WeakPolarHBondContact O-CG 3.41Å; D375-K379 PolarHBondContact O-N 3.2Å; D375-K379 VanDerWaalsContact OD2-CE 3.3Å; D375-K379 WeakPolarHBondContact OD2-CE 3.24Å; D375-K379 IonicContact OD2-NZ 2.81Å; D375-K379 PolarHBondContact OD2-NZ 3.23Å
376E90Very high89.4Confident79 Ų79102.7 Ų102.737%0.36950%0.496SS..Hα-helixtrans-59.3-42.7173.9-71.7170.1-15900111.8R372 K373 K380R372-E376 IonicContact CZ-OE1 2.68Å; R372-E376 IonicContact NE-OE1 2.69Å; R372-E376 PolarHBondContact NE-OE1 3.25Å; R372-E376 IonicContact NH2-OE1 3.62Å; R372-E376 WeakPolarHBondContact O-CG 3.33Å; R372-E376 PolarHBondContact O-N 3.4Å; K373-E376 PolarHBondContact O-N 2.79Å; E376-K380 WeakPolarHBondContact O-CG 3.49Å; E376-K380 PolarHBondContact O-N 2.99Å
377Q91.8Very high89.3Confident110 Ų110104.3 Ų104.351%0.51450%0.504SS..Hα-helixtrans-68.3-42.7176.5-70.3-58.4-57.800111.7K373 L374 D375 K379 K380 T381K373-Q377 VanDerWaalsContact O-CG 3.29Å; K373-Q377 WeakPolarHBondContact O-CG 3.34Å; K373-Q377 PolarHBondContact O-N 2.89Å; L374-Q377 PolarHBondContact O-N 3.15Å; D375-Q377 VanDerWaalsContact C-N 3.33Å; D375-Q377 PolarHBondContact O-N 2.8Å; Q377-K379 VanDerWaalsContact C-N 3.32Å; Q377-K379 PolarHBondContact O-N 3.07Å; Q377-K380 PolarHBondContact O-N 2.88Å; Q377-T381 PolarHBondContact O-N 3.41Å; Q377-T381 PolarHBondContact O-OG1 2.91Å
378R89.9Confident89.2Confident113 Ų113103 Ų10343%0.42650%0.504SS..Hα-helixtrans-58.4-44.1178-174.3174.363.3149.10.9111.7L374 D375 T381 Y382L374-R378 WeakPolarHBondContact O-CB 3.47Å; L374-R378 PolarHBondContact O-N 3.45Å; D375-R378 PolarHBondContact O-N 3.03Å; D375-R378 IonicContact OD1-CZ 3.17Å; D375-R378 IonicContact OD1-NE 2.72Å; D375-R378 IonicContact OD1-NH2 3.2Å; D375-R378 PolarHBondContact OD1-NH2 3.42Å; R378-T381 PolarHBondContact O-N 3.25Å; R378-Y382 WeakPolarHBondContact O-CB 3.41Å; R378-Y382 PolarHBondContact O-N 3.28Å
379K89.3Confident89.5Confident124 Ų12499 Ų9954%0.53948%0.476SS..Hα-helixtrans-60.4-46.6175.9-76.8168.8173.6156.90112.4D375 Q377 Y382 Q383D375-K379 WeakPolarHBondContact O-CG 3.41Å; D375-K379 PolarHBondContact O-N 3.2Å; D375-K379 VanDerWaalsContact OD2-CE 3.3Å; D375-K379 WeakPolarHBondContact OD2-CE 3.24Å; D375-K379 IonicContact OD2-NZ 2.81Å; D375-K379 PolarHBondContact OD2-NZ 3.23Å; Q377-K379 VanDerWaalsContact C-N 3.32Å; Q377-K379 PolarHBondContact O-N 3.07Å; K379-Y382 PolarHBondContact O-N 3.45Å; K379-Q383 WeakPolarHBondContact O-CG 3.41Å; K379-Q383 PolarHBondContact O-N 3.29Å
380K91.1Very high89.5Confident118 Ų11892.2 Ų92.251%0.51345%0.447SS..Hα-helixtrans-62.6-44177.2-71.7178.8179.2-175.20112E376 Q377 Y382 Q383 L384E376-K380 WeakPolarHBondContact O-CG 3.49Å; E376-K380 PolarHBondContact O-N 2.99Å; Q377-K380 PolarHBondContact O-N 2.88Å; K380-Y382 VanDerWaalsContact C-N 3.32Å; K380-Y382 PolarHBondContact O-N 3.41Å; K380-Q383 PolarHBondContact O-N 3.28Å; K380-L384 VanDerWaalsContact O-CG 3.32Å; K380-L384 WeakPolarHBondContact O-CG 3.49Å; K380-L384 PolarHBondContact O-N 2.89Å
381T89.7Confident89.4Confident90 Ų9091 Ų9155%0.55244%0.438SS*.Hα-helixtrans-62.5-40177.5-56.90000111.7Q377 R378 L384 L385Q377-T381 PolarHBondContact O-N 3.41Å; Q377-T381 PolarHBondContact O-OG1 2.91Å; R378-T381 PolarHBondContact O-N 3.25Å; T381-L384 PolarHBondContact O-N 2.96Å; T381-L385 PolarHBondContact O-N 3.04Å
382Y89.1Confident89.3Confident77 Ų7790.1 Ų90.130%0.30242%0.424SS..Hα-helixtrans-67.3-43.6177.3-169.2-97.4000112.3R378 K379 K380 L384 L385 E386 Q395R378-Y382 WeakPolarHBondContact O-CB 3.41Å; R378-Y382 PolarHBondContact O-N 3.28Å; K379-Y382 PolarHBondContact O-N 3.45Å; K380-Y382 VanDerWaalsContact C-N 3.32Å; K380-Y382 PolarHBondContact O-N 3.41Å; Y382-L384 VanDerWaalsContact C-N 3.31Å; Y382-L384 PolarHBondContact O-N 3.32Å; Y382-L385 WeakPolarHBondContact O-CB 3.45Å; Y382-L385 PolarHBondContact O-N 3.41Å; Y382-E386 HydrophobicContact CD1-CG 4.23Å; Y382-E386 VanDerWaalsContact CE1-CD 3.48Å; Y382-E386 HydrophobicContact CE1-CG 3.89Å; Y382-E386 VanDerWaalsContact CE1-OE1 3.28Å; Y382-E386 WeakPolarHBondContact CE1-OE1 3.45Å; Y382-E386 PolarHBondContact O-N 2.94Å; Y382-Q395 VanDerWaalsContact OH-CG 3.24Å; Y382-Q395 WeakPolarHBondContact OH-CG 3.3Å
383Q89.3Confident89.4Confident117 Ų11782 Ų8255%0.54739%0.393SS..Hα-helixtrans-58.7-42.1174.5-74.1174.8-19.600112.2K379 K380 L385 E386 Q387K379-Q383 WeakPolarHBondContact O-CG 3.41Å; K379-Q383 PolarHBondContact O-N 3.29Å; K380-Q383 PolarHBondContact O-N 3.28Å; Q383-L385 VanDerWaalsContact C-N 3.29Å; Q383-L385 PolarHBondContact O-N 3.15Å; Q383-E386 PolarHBondContact O-N 2.8Å; Q383-Q387 WeakPolarHBondContact O-CG 3.26Å; Q383-Q387 PolarHBondContact O-N 2.89Å; Q383-Q387 VanDerWaalsContact O-N 3.12Å
384L90.6Very high89.2Confident102 Ų10275.4 Ų75.453%0.53437%0.365SS..Hα-helixtrans-65.6-32.7175.3-70.2169.7000112.4K380 T381 Y382 Q387 C388K380-L384 VanDerWaalsContact O-CG 3.32Å; K380-L384 WeakPolarHBondContact O-CG 3.49Å; K380-L384 PolarHBondContact O-N 2.89Å; T381-L384 PolarHBondContact O-N 2.96Å; Y382-L384 VanDerWaalsContact C-N 3.31Å; Y382-L384 PolarHBondContact O-N 3.32Å; L384-Q387 PolarHBondContact O-N 3.43Å; L384-C388 PolarHBondContact O-N 2.91Å; L384-C388 PolarHBondContact O-SG 3.04Å
385L89.1Confident89Confident50 Ų5070.3 Ų70.326%0.26234%0.338SS..Hα-helixtrans-67.2-45176-174.766.2000111.4T381 Y382 Q383 Q387 C388 L389 A394T381-L385 PolarHBondContact O-N 3.04Å; Y382-L385 WeakPolarHBondContact O-CB 3.45Å; Y382-L385 PolarHBondContact O-N 3.41Å; Q383-L385 VanDerWaalsContact C-N 3.29Å; Q383-L385 PolarHBondContact O-N 3.15Å; L385-Q387 PolarHBondContact O-N 3.36Å; L385-C388 PolarHBondContact O-N 3.09Å; L385-C388 VanDerWaalsContact O-N 3.15Å; L385-L389 HydrophobicContact CD1-CD1 3.9Å; L385-L389 PolarHBondContact O-N 2.92Å; L385-A394 HydrophobicContact CD2-CB 4.18Å; L385-A394 HydrophobicContact CG-CB 3.97Å
386E88.3Confident89Confident53 Ų5369.9 Ų69.925%0.24833%0.334CS..Hα-helixtrans-66.3-23.5175.9-68.6-172.4141.200113.5Y382 Q383 L389 A394Y382-E386 HydrophobicContact CD1-CG 4.23Å; Y382-E386 VanDerWaalsContact CE1-CD 3.48Å; Y382-E386 HydrophobicContact CE1-CG 3.89Å; Y382-E386 VanDerWaalsContact CE1-OE1 3.28Å; Y382-E386 WeakPolarHBondContact CE1-OE1 3.45Å; Y382-E386 PolarHBondContact O-N 2.94Å; Q383-E386 PolarHBondContact O-N 2.8Å; E386-L389 CarbonylContact C-O 3.58Å; E386-A394 HydrophobicContact CG-CB 4.36Å
387Q86.6Confident88.8Confident156 Ų15668.7 Ų68.773%0.72933%0.33SS*.Hα-helixtrans-77.8-28.9172.8-74.1176.7-10.700112.6Q383 L384 L385Q383-Q387 WeakPolarHBondContact O-CG 3.26Å; Q383-Q387 PolarHBondContact O-N 2.89Å; Q383-Q387 VanDerWaalsContact O-N 3.12Å; L384-Q387 PolarHBondContact O-N 3.43Å; L385-Q387 PolarHBondContact O-N 3.36Å
388C86.4Confident88.5Confident92 Ų9266.5 Ų66.562%0.62233%0.326SS*.Hα-helixtrans-88.5-29-179.5-67.30000113.2L384 L385L384-C388 PolarHBondContact O-N 2.91Å; L384-C388 PolarHBondContact O-SG 3.04Å; L385-C388 PolarHBondContact O-N 3.09Å; L385-C388 VanDerWaalsContact O-N 3.15Å
389L90.4Very high88.3Confident2 Ų266.1 Ų66.11%0.0133%0.33CS..SBendtrans-133.4154-173.2-65.9175.7000110.5L385 E386 K391 A394 I397 I534L385-L389 HydrophobicContact CD1-CD1 3.9Å; L385-L389 PolarHBondContact O-N 2.92Å; E386-L389 CarbonylContact C-O 3.58Å; L389-K391 PolarHBondContact O-N 2.91Å; L389-A394 HydrophobicContact CB-CB 4.33Å; L389-I397 HydrophobicContact CD1-CD1 3.46Å; L389-I397 VanDerWaalsContact CD1-CD1 3.46Å; L389-I534 HydrophobicContact CD1-CD1 4.35Å
390P89.8Confident88Confident5 Ų563 Ų633%0.03233%0.333CS..  trans-60.5141.9176-6.215.5000111.3E392 V393 A394 Y456 P472 Y542P390-E392 VanDerWaalsContact C-N 3.33Å; P390-E392 PolarHBondContact O-N 2.76Å; P390-V393 HydrophobicContact CB-CB 4.46Å; P390-V393 HydrophobicContact CB-CG2 4.29Å; P390-V393 HydrophobicContact CG-CB 4.29Å; P390-V393 HydrophobicContact CG-CG2 4.07Å; P390-V393 CarbonylContact O-C 3.54Å; P390-V393 WeakPolarHBondContact O-CA 3.48Å; P390-V393 WeakPolarHBondContact O-CB 3.37Å; P390-V393 PolarHBondContact O-N 2.92Å; P390-A394 PolarHBondContact O-N 3.16Å; P390-Y456 HydrophobicContact CB-CD2 4.28Å; P390-Y456 HydrophobicContact CB-CE2 3.71Å; P390-Y456 WeakPolarHBondContact CD-OH 3.24Å; P390-Y456 HydrophobicContact CG-CD2 4.48Å; P390-Y456 HydrophobicContact CG-CE1 3.97Å; P390-Y456 HydrophobicContact CG-CE2 3.75Å; P390-Y456 VanDerWaalsContact CG-CZ 3.48Å; P390-P472 HydrophobicContact CB-CB 4.21Å; P390-P472 HydrophobicContact CB-CG 3.25Å; P390-P472 HydrophobicContact CG-CB 4.45Å; P390-P472 HydrophobicContact CG-CG 3.64Å; P390-Y542 HydrophobicContact CG-CD1 3.93Å; P390-Y542 HydrophobicContact CG-CD2 3.88Å; P390-Y542 HydrophobicContact CG-CE1 4.26Å; P390-Y542 HydrophobicContact CG-CE2 4.22Å; P390-Y542 HydrophobicContact CG-CG 3.71Å
391K88.9Confident87.8Confident85 Ų8561.6 Ų61.637%0.3733%0.327SS..Hα-helixtrans-50.1-48-174.5-66.8179.8179.7171.70113.4L389 V393 A394 Q395 I635L389-K391 PolarHBondContact O-N 2.91Å; K391-V393 PolarHBondContact O-N 3.28Å; K391-A394 PolarHBondContact O-N 3.46Å; K391-Q395 WeakPolarHBondContact O-CB 3Å; K391-Q395 VanDerWaalsContact O-CG 3.31Å; K391-Q395 WeakPolarHBondContact O-CG 3.2Å; K391-Q395 PolarHBondContact O-N 2.9Å; K391-I635 HydrophobicContact CD-CG2 4.17Å
392E86.4Confident87.5Confident37 Ų3763.5 Ų63.517%0.17333%0.329CS..Hα-helixtrans-56.5-39.5177.3-66.1-178.4-161.800112.8P390 Q396 K408 S473P390-E392 VanDerWaalsContact C-N 3.33Å; P390-E392 PolarHBondContact O-N 2.76Å; E392-Q396 VanDerWaalsContact O-CG 3.28Å; E392-Q396 WeakPolarHBondContact O-CG 3.11Å; E392-Q396 PolarHBondContact O-N 3.43Å; E392-K408 IonicContact OE2-NZ 3.89Å; E392-K408 PolarHBondContact OE2-NZ 3.27Å; E392-S473 WeakPolarHBondContact OE1-CB 3.48Å; E392-S473 PolarHBondContact OE1-OG 3.45Å
393V88.7Confident87.1Confident4 Ų462 Ų622%0.02433%0.333CS..Hα-helixtrans-81.3-39.8-175.6178.40000110.5P390 K391 Q395 Q396 I397 T406 I534 Y542P390-V393 HydrophobicContact CB-CB 4.46Å; P390-V393 HydrophobicContact CB-CG2 4.29Å; P390-V393 HydrophobicContact CG-CB 4.29Å; P390-V393 HydrophobicContact CG-CG2 4.07Å; P390-V393 CarbonylContact O-C 3.54Å; P390-V393 WeakPolarHBondContact O-CA 3.48Å; P390-V393 WeakPolarHBondContact O-CB 3.37Å; P390-V393 PolarHBondContact O-N 2.92Å; K391-V393 PolarHBondContact O-N 3.28Å; V393-Q395 VanDerWaalsContact C-N 3.3Å; V393-Q395 PolarHBondContact O-N 3.33Å; V393-Q396 PolarHBondContact O-N 2.98Å; V393-I397 HydrophobicContact CG1-CD1 4.31Å; V393-I397 WeakPolarHBondContact O-CG1 3.25Å; V393-I397 PolarHBondContact O-N 2.97Å; V393-T406 HydrophobicContact CG1-CG2 4.23Å; V393-I534 HydrophobicContact CG1-CD1 3.14Å; V393-I534 HydrophobicContact CG1-CG1 3.58Å; V393-Y542 HydrophobicContact CG2-CD2 4.31Å; V393-Y542 HydrophobicContact CG2-CE2 4.08Å
394A89.1Confident86.8Confident0 Ų060.8 Ų60.80%034%0.337CS..Hα-helixtrans-58-43.3173.100000111.4L385 E386 L389 P390 K391 I397 S398L385-A394 HydrophobicContact CD2-CB 4.18Å; L385-A394 HydrophobicContact CG-CB 3.97Å; E386-A394 HydrophobicContact CG-CB 4.36Å; L389-A394 HydrophobicContact CB-CB 4.33Å; P390-A394 PolarHBondContact O-N 3.16Å; K391-A394 PolarHBondContact O-N 3.46Å; A394-I397 PolarHBondContact O-N 3.35Å; A394-S398 WeakPolarHBondContact O-CB 3.29Å; A394-S398 PolarHBondContact O-N 3.02Å; A394-S398 PolarHBondContact O-OG 3.48Å
395Q87.2Confident86.4Confident16 Ų1661.6 Ų61.68%0.07534%0.338CS..Hα-helixtrans-59.5-50.2174.2-76.4170.8-4.200111.9Y382 K391 V393 I397 S398 Q399 N639Y382-Q395 VanDerWaalsContact OH-CG 3.24Å; Y382-Q395 WeakPolarHBondContact OH-CG 3.3Å; K391-Q395 WeakPolarHBondContact O-CB 3Å; K391-Q395 VanDerWaalsContact O-CG 3.31Å; K391-Q395 WeakPolarHBondContact O-CG 3.2Å; K391-Q395 PolarHBondContact O-N 2.9Å; V393-Q395 VanDerWaalsContact C-N 3.3Å; V393-Q395 PolarHBondContact O-N 3.33Å; Q395-I397 VanDerWaalsContact C-N 3.34Å; Q395-I397 PolarHBondContact O-N 3.3Å; Q395-S398 WeakPolarHBondContact CA-OG 3.18Å; Q395-S398 PolarHBondContact O-N 3.08Å; Q395-S398 VanDerWaalsContact O-N 3.1Å; Q395-S398 PolarHBondContact O-OG 3.42Å; Q395-Q399 WeakPolarHBondContact O-CG 3.32Å; Q395-Q399 PolarHBondContact O-N 3.01Å; Q395-N639 PolarHBondContact NE2-OD1 3.12Å
396Q87.3Confident86.2Confident37 Ų3759.4 Ų59.417%0.17333%0.327CS..Hα-helixtrans-57.1-44.8178.6-73.9177.6-1.900112.6E392 V393 Q399 K401 T406E392-Q396 VanDerWaalsContact O-CG 3.28Å; E392-Q396 WeakPolarHBondContact O-CG 3.11Å; E392-Q396 PolarHBondContact O-N 3.43Å; V393-Q396 PolarHBondContact O-N 2.98Å; Q396-Q399 PolarHBondContact O-N 3.42Å; Q396-K401 HydrophobicContact CB-CB 4.44Å; Q396-K401 HydrophobicContact CB-CD 3.95Å; Q396-K401 HydrophobicContact CG-CD 4.04Å; Q396-K401 VanDerWaalsContact O-CB 3.28Å; Q396-K401 WeakPolarHBondContact O-CB 3.19Å; Q396-K401 PolarHBondContact O-N 3.18Å; Q396-K401 VanDerWaalsContact O-N 3.09Å; Q396-T406 HydrophobicContact CB-CG2 4.43Å
397I86.2Confident86.3Confident54 Ų5462.6 Ų62.628%0.27734%0.343SS..Hα-helixtrans-65.6-41.6176-64.9164.4000111.1L389 V393 A394 Q395 Q399 G400 I534L389-I397 HydrophobicContact CD1-CD1 3.46Å; L389-I397 VanDerWaalsContact CD1-CD1 3.46Å; V393-I397 HydrophobicContact CG1-CD1 4.31Å; V393-I397 WeakPolarHBondContact O-CG1 3.25Å; V393-I397 PolarHBondContact O-N 2.97Å; A394-I397 PolarHBondContact O-N 3.35Å; Q395-I397 VanDerWaalsContact C-N 3.34Å; Q395-I397 PolarHBondContact O-N 3.3Å; I397-Q399 PolarHBondContact O-N 3.36Å; I397-G400 WeakPolarHBondContact O-CA 3.25Å; I397-G400 PolarHBondContact O-N 2.5Å; I397-I534 HydrophobicContact CD1-CD1 3.12Å; I397-I534 HydrophobicContact CG1-CD1 3.86Å
398S85.4Confident86.6Confident64 Ų6458.6 Ų58.645%0.44832%0.323SS..Hα-helixtrans-62.9-28.818075.80000112.7A394 Q395 G400A394-S398 WeakPolarHBondContact O-CB 3.29Å; A394-S398 PolarHBondContact O-N 3.02Å; A394-S398 PolarHBondContact O-OG 3.48Å; Q395-S398 WeakPolarHBondContact CA-OG 3.18Å; Q395-S398 PolarHBondContact O-N 3.08Å; Q395-S398 VanDerWaalsContact O-N 3.1Å; Q395-S398 PolarHBondContact O-OG 3.42Å; S398-G400 PolarHBondContact O-N 3.41Å
399Q85.5Confident86.9Confident106 Ų10658 Ų5850%0.49533%0.325SS..THydrogen-bonded Turntrans-79.90.2173.7-67.6171.4-3.300113.2Q395 Q396 I397 D642Q395-Q399 WeakPolarHBondContact O-CG 3.32Å; Q395-Q399 PolarHBondContact O-N 3.01Å; Q396-Q399 PolarHBondContact O-N 3.42Å; I397-Q399 PolarHBondContact O-N 3.36Å; Q399-D642 PolarHBondContact NE2-OD2 3.45Å
400G83.8Confident87.2Confident58 Ų5858.6 Ų58.660%0.59833%0.327SS*.THydrogen-bonded Turntrans8910.7177.400000115.1I397 S398I397-G400 WeakPolarHBondContact O-CA 3.25Å; I397-G400 PolarHBondContact O-N 2.5Å; S398-G400 PolarHBondContact O-N 3.41Å
401K85.5Confident87.3Confident89 Ų8965.6 Ų65.639%0.38736%0.364SS..  trans-67.7141.6173.6-65.6-177.9176174.20110.8Q396Q396-K401 HydrophobicContact CB-CB 4.44Å; Q396-K401 HydrophobicContact CB-CD 3.95Å; Q396-K401 HydrophobicContact CG-CD 4.04Å; Q396-K401 VanDerWaalsContact O-CB 3.28Å; Q396-K401 WeakPolarHBondContact O-CB 3.19Å; Q396-K401 PolarHBondContact O-N 3.18Å; Q396-K401 VanDerWaalsContact O-N 3.09Å
402H84.1Confident87.6Confident129 Ų12964 Ų6460%0.59736%0.363SS*.  trans-70.6146.4176.7-72.2-77000111.3S404 E405H402-S404 PolarHBondContact O-N 2.87Å; H402-S404 VanDerWaalsContact O-N 3.11Å; H402-E405 IonicContact CD2-OE1 3.69Å; H402-E405 WeakPolarHBondContact O-CB 3.29Å; H402-E405 PolarHBondContact O-N 3.15Å
403A81.1Confident88.1Confident47 Ų4762.2 Ų62.239%0.38836%0.355SS..G310 helixtrans-55.3-32.7-179.900000113.2E405 T406 I534A403-E405 VanDerWaalsContact C-N 3.26Å; A403-E405 PolarHBondContact O-N 3.34Å; A403-T406 PolarHBondContact O-N 2.7Å; A403-T406 PolarHBondContact O-OG1 3.41Å; A403-I534 HydrophobicContact CB-CB 4.3Å; A403-I534 HydrophobicContact CB-CG2 4.45Å
404S81.4Confident88.5Confident91 Ų9162 Ų6264%0.63635%0.354SS*.G310 helixtrans-61.9-30176.547.90000113.8H402 T406H402-S404 PolarHBondContact O-N 2.87Å; H402-S404 VanDerWaalsContact O-N 3.11Å; S404-T406 VanDerWaalsContact C-N 3.29Å; S404-T406 PolarHBondContact O-N 2.88Å
405E84Confident88.9Confident119 Ų11962 Ų6256%0.55635%0.354SS*.G310 helixtrans-80.2-12.7-179-64.2172.1-145.400112.7H402 A403 M407H402-E405 IonicContact CD2-OE1 3.69Å; H402-E405 WeakPolarHBondContact O-CB 3.29Å; H402-E405 PolarHBondContact O-N 3.15Å; A403-E405 VanDerWaalsContact C-N 3.26Å; A403-E405 PolarHBondContact O-N 3.34Å; E405-M407 PolarHBondContact O-N 3.29Å
406T84.9Confident89.4Confident3 Ų361.3 Ų61.32%0.01835%0.351CS..G310 helixtrans-81.2-5.5178.269.90000113V393 Q396 A403 S404 K408 I534V393-T406 HydrophobicContact CG1-CG2 4.23Å; Q396-T406 HydrophobicContact CB-CG2 4.43Å; A403-T406 PolarHBondContact O-N 2.7Å; A403-T406 PolarHBondContact O-OG1 3.41Å; S404-T406 VanDerWaalsContact C-N 3.29Å; S404-T406 PolarHBondContact O-N 2.88Å; T406-K408 PolarHBondContact O-N 2.95Å; T406-I534 HydrophobicContact CG2-CD1 4.16Å
407M89.3Confident89.9Confident120 Ų12060.5 Ų60.559%0.59135%0.347SS*.  trans-70124.8-178.9-168.6-177.4-65.300110.7E405 V531 A532E405-M407 PolarHBondContact O-N 3.29Å; M407-V531 HydrophobicContact CG-CG1 3.52Å; M407-V531 HydrophobicContact SD-CG1 3.73Å; M407-A532 CarbonylContact C-O 3.54Å; M407-A532 WeakPolarHBondContact CA-O 3.4Å
408K92.4Very high90.3Very high72 Ų7258 Ų5831%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-128.2134.6178.7-70178.1-179.7179.10110E392 T406 Y410 A532E392-K408 IonicContact OE2-NZ 3.89Å; E392-K408 PolarHBondContact OE2-NZ 3.27Å; T406-K408 PolarHBondContact O-N 2.95Å; K408-Y410 HydrophobicContact CB-CD2 4.34Å; K408-Y410 HydrophobicContact CB-CE2 3.51Å; K408-Y410 VanDerWaalsContact CD-OH 3.32Å; K408-Y410 WeakPolarHBondContact CD-OH 3.29Å; K408-Y410 WeakPolarHBondContact O-CD2 3.25Å; K408-Y410 WeakPolarHBondContact O-CE2 3.2Å; K408-A532 PolarHBondContact N-O 2.56Å; K408-A532 PolarHBondContact O-N 3.3Å
409A93.9Very high90.8Very high79 Ų7958.7 Ų58.765%0.65333%0.329SS*.EExtended strand (participates in β ladder)trans-89138.6168.200000109.3V531A409-V531 HydrophobicContact CB-CG2 4.32Å
410Y95.4Very high91.2Very high16 Ų1653.8 Ų53.86%0.06331%0.306CS..EExtended strand (participates in β ladder)trans-125.2123.9177.4-60.5-99.7000108.6K408 S412 V413 G470 A471 P472 P474 P529 I530 A532K408-Y410 HydrophobicContact CB-CD2 4.34Å; K408-Y410 HydrophobicContact CB-CE2 3.51Å; K408-Y410 VanDerWaalsContact CD-OH 3.32Å; K408-Y410 WeakPolarHBondContact CD-OH 3.29Å; K408-Y410 WeakPolarHBondContact O-CD2 3.25Å; K408-Y410 WeakPolarHBondContact O-CE2 3.2Å; Y410-S412 VanDerWaalsContact C-N 3.34Å; Y410-V413 HydrophobicContact CD1-CG1 4.33Å; Y410-V413 HydrophobicContact CG-CG1 4.01Å; Y410-G470 WeakPolarHBondContact CD1-O 3.47Å; Y410-G470 WeakPolarHBondContact CE1-O 3.43Å; Y410-A471 HydrophobicContact CD1-CB 4.15Å; Y410-A471 HydrophobicContact CD2-CB 4.17Å; Y410-A471 HydrophobicContact CE1-CB 3.94Å; Y410-A471 HydrophobicContact CE2-CB 3.98Å; Y410-A471 HydrophobicContact CG-CB 4.27Å; Y410-P472 WeakPolarHBondContact CE1-O 3.46Å; Y410-P472 WeakPolarHBondContact OH-CA 3.31Å; Y410-P472 PolarHBondContact OH-O 3.41Å; Y410-P474 HydrophobicContact CD1-CG 4.41Å; Y410-P474 HydrophobicContact CE1-CG 4.09Å; Y410-P529 CarbonylContact O-C 3.56Å; Y410-P529 VanDerWaalsContact O-CA 3.28Å; Y410-P529 WeakPolarHBondContact O-CA 3.42Å; Y410-I530 HydrophobicContact CD2-CD1 4.33Å; Y410-I530 HydrophobicContact CD2-CG1 4.21Å; Y410-I530 HydrophobicContact CG-CG1 4.47Å; Y410-I530 PolarHBondContact N-O 3.07Å; Y410-I530 PolarHBondContact O-N 3.24Å; Y410-A532 HydrophobicContact CD2-CB 4.26Å; Y410-A532 HydrophobicContact CE2-CB 3.83Å
411D93.8Very high91.6Very high151 Ų15151.4 Ų51.481%0.80728%0.28SS*.EExtended strand (participates in β ladder)trans-70.9-31.7-176.9-63.1-36.5000112.6P529D411-P529 WeakPolarHBondContact O-CA 3.27Å; D411-P529 WeakPolarHBondContact O-CB 3.43Å
412S93.6Very high91.7Very high51 Ų5151.4 Ų51.436%0.35728%0.284SS..EExtended strand (participates in β ladder)trans-147.4117.5178.7-152.80000111Y410 T527Y410-S412 VanDerWaalsContact C-N 3.34Å; S412-T527 WeakPolarHBondContact OG-CG2 3.48Å
413V96.5Very high92Very high0 Ų046.5 Ų46.50%026%0.261CS..EExtended strand (participates in β ladder)trans-131.9159.4169.2-56.60000109.1Y410 I415 V468 S469 A471 T527 G528 I530Y410-V413 HydrophobicContact CD1-CG1 4.33Å; Y410-V413 HydrophobicContact CG-CG1 4.01Å; V413-I415 HydrophobicContact CG2-CD1 4.46Å; V413-I415 HydrophobicContact CG2-CG1 4.19Å; V413-V468 HydrophobicContact CB-CG2 4.13Å; V413-V468 HydrophobicContact CG2-CG2 4.24Å; V413-S469 WeakPolarHBondContact CB-O 3.27Å; V413-A471 HydrophobicContact CG1-CB 4.11Å; V413-T527 VanDerWaalsContact O-CA 3.23Å; V413-T527 WeakPolarHBondContact O-CA 3.42Å; V413-G528 WeakPolarHBondContact CG2-O 3.36Å; V413-G528 PolarHBondContact N-O 2.77Å; V413-G528 PolarHBondContact O-N 3.4Å; V413-I530 HydrophobicContact CB-CD1 4.36Å; V413-I530 HydrophobicContact CB-CG1 4.34Å; V413-I530 HydrophobicContact CG1-CD1 3.99Å; V413-I530 HydrophobicContact CG1-CG1 3.87Å; V413-I530 HydrophobicContact CG2-CB 4.21Å; V413-I530 HydrophobicContact CG2-CD1 3.65Å; V413-I530 HydrophobicContact CG2-CG1 3.51Å; V413-I530 HydrophobicContact CG2-CG2 3.7Å
414T97.6Very high92.4Very high0 Ų048.4 Ų48.40%027%0.272CS..EExtended strand (participates in β ladder)trans-111.7126.6171.4-55.70000109.6V468 S469 H478 S479 I482 H526 T527 L570T414-V468 WeakPolarHBondContact O-CA 3.48Å; T414-S469 PolarHBondContact N-O 3.12Å; T414-S469 PolarHBondContact O-N 3.45Å; T414-H478 PolarHBondContact N-ND1 3.44Å; T414-H478 PolarHBondContact OG1-CE1 3.46Å; T414-H478 PolarHBondContact OG1-ND1 2.97Å; T414-S479 WeakPolarHBondContact OG1-CA 3.19Å; T414-S479 PolarHBondContact OG1-OG 3.29Å; T414-S479 VanDerWaalsContact OG1-OG 3.06Å; T414-I482 HydrophobicContact CG2-CB 3.85Å; T414-I482 HydrophobicContact CG2-CG1 4.15Å; T414-I482 HydrophobicContact CG2-CG2 3.67Å; T414-H526 WeakPolarHBondContact CA-O 3.36Å; T414-T527 PolarHBondContact OG1-OG1 3.38Å; T414-L570 HydrophobicContact CG2-CD1 3.94Å; T414-L570 HydrophobicContact CG2-CD2 3.97Å
415I97.7Very high92.7Very high0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans-109.7137.7178-62.1178.2000108.7V413 F417 M466 L467 V468 C525 H526 I530 L544 T548 V549 A552V413-I415 HydrophobicContact CG2-CD1 4.46Å; V413-I415 HydrophobicContact CG2-CG1 4.19Å; I415-F417 HydrophobicContact CG2-CD2 3.9Å; I415-F417 HydrophobicContact CG2-CE2 3.64Å; I415-M466 HydrophobicContact CD1-CE 4.25Å; I415-M466 HydrophobicContact CG2-CE 3.84Å; I415-M466 HydrophobicContact CG2-CG 4.35Å; I415-L467 CarbonylContact C-O 3.56Å; I415-L467 WeakPolarHBondContact CA-O 3.4Å; I415-V468 HydrophobicContact CG1-CB 4.41Å; I415-V468 HydrophobicContact CG1-CG2 4.06Å; I415-C525 WeakPolarHBondContact O-CA 3.41Å; I415-H526 PolarHBondContact N-O 3.27Å; I415-H526 PolarHBondContact O-N 2.86Å; I415-I530 HydrophobicContact CD1-CG2 4.08Å; I415-L544 HydrophobicContact CD1-CD1 3.87Å; I415-L544 HydrophobicContact CG1-CD1 4.26Å; I415-T548 HydrophobicContact CD1-CG2 4.11Å; I415-V549 HydrophobicContact CD1-CB 4.34Å; I415-V549 HydrophobicContact CD1-CG2 3.68Å; I415-A552 HydrophobicContact CB-CB 3.93Å; I415-A552 HydrophobicContact CG2-CB 3.79Å
416C97.5Very high92.8Very high1 Ų145 Ų451%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-120.4128172.5177.90000110.2M466 L467 I482 G524C416-M466 WeakPolarHBondContact O-CA 3.47Å; C416-L467 HydrophobicContact CB-CB 4.26Å; C416-L467 PolarHBondContact N-O 3.38Å; C416-L467 PolarHBondContact O-N 2.97Å; C416-I482 HydrophobicContact CB-CD1 4.2Å; C416-I482 HydrophobicContact CB-CG2 3.65Å; C416-G524 WeakPolarHBondContact CA-O 3.29Å
417F97.5Very high92.9Very high21 Ų2146.2 Ų46.29%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-107.5132.4166.7-79.5-87.4000109.1I415 Y465 M466 I523 G524 V549 A552 N553 M556I415-F417 HydrophobicContact CG2-CD2 3.9Å; I415-F417 HydrophobicContact CG2-CE2 3.64Å; F417-Y465 CarbonylContact C-O 3.49Å; F417-Y465 WeakPolarHBondContact CA-O 3.43Å; F417-M466 HydrophobicContact CD1-CB 4.08Å; F417-M466 HydrophobicContact CD1-CG 4.14Å; F417-M466 HydrophobicContact CE1-CB 3.83Å; F417-M466 HydrophobicContact CE1-CG 3.64Å; F417-M466 HydrophobicContact CE1-SD 3.65Å; F417-M466 HydrophobicContact CE2-CE 4.23Å; F417-M466 HydrophobicContact CE2-CG 4.21Å; F417-M466 HydrophobicContact CE2-SD 4.24Å; F417-M466 HydrophobicContact CZ-CB 4.39Å; F417-M466 HydrophobicContact CZ-CE 3.85Å; F417-M466 HydrophobicContact CZ-CG 3.69Å; F417-M466 HydrophobicContact CZ-SD 3.39Å; F417-M466 WeakPolarHBondContact CZ-SD 3.46Å; F417-I523 WeakPolarHBondContact O-CA 3.38Å; F417-G524 PolarHBondContact N-O 3.43Å; F417-G524 PolarHBondContact O-N 2.85Å; F417-V549 HydrophobicContact CE2-CG1 4.11Å; F417-V549 WeakPolarHBondContact CE2-O 3.38Å; F417-V549 HydrophobicContact CZ-CG1 3.85Å; F417-A552 HydrophobicContact CD2-CB 3.63Å; F417-A552 HydrophobicContact CE2-CB 3.85Å; F417-N553 HydrophobicContact CD2-CB 4.01Å; F417-N553 VanDerWaalsContact CD2-N 3.34Å; F417-N553 HydrophobicContact CE2-CB 3.93Å; F417-N553 HydrophobicContact CG-CB 4.32Å; F417-N553 HydrophobicContact CZ-CB 4.19Å; F417-M556 HydrophobicContact CB-CB 3.76Å; F417-M556 HydrophobicContact CB-CE 4.35Å; F417-M556 HydrophobicContact CB-CG 4.09Å
418T96Very high92.8Very high1 Ų144.9 Ų44.91%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-113.9150.9164.582.20000109.4S464 Y465 I489 Y522 I523T418-S464 CarbonylContact O-C 3.53Å; T418-S464 VanDerWaalsContact O-CA 3.23Å; T418-S464 WeakPolarHBondContact O-CA 3.44Å; T418-Y465 PolarHBondContact N-O 2.7Å; T418-Y465 PolarHBondContact O-N 3.22Å; T418-Y465 VanDerWaalsContact OG1-CB 3.28Å; T418-Y465 WeakPolarHBondContact OG1-CB 3.23Å; T418-I489 HydrophobicContact CG2-CD1 4.29Å; T418-Y522 CarbonylContact C-O 3.56Å; T418-Y522 VanDerWaalsContact CA-O 3.22Å; T418-Y522 WeakPolarHBondContact CA-O 3.47Å; T418-I523 HydrophobicContact CG2-CD1 4.14Å; T418-I523 HydrophobicContact CG2-CG1 3.97Å; T418-I523 HydrophobicContact CG2-CG2 4.41Å
419K95Very high92.5Very high78 Ų7847 Ų4734%0.33926%0.264SS..EExtended strand (participates in β ladder)trans-149.7141.3174-174.7173.3-179.4173.70110.2D463 L521 Y522 M556K419-D463 VanDerWaalsContact CE-OD2 3.28Å; K419-D463 WeakPolarHBondContact CE-OD2 3.42Å; K419-D463 VanDerWaalsContact CG-OD2 3.25Å; K419-D463 WeakPolarHBondContact CG-OD2 3.34Å; K419-L521 CarbonylContact O-C 3.59Å; K419-L521 WeakPolarHBondContact O-CA 3.49Å; K419-Y522 PolarHBondContact N-O 3.37Å; K419-Y522 PolarHBondContact O-N 3.39Å; K419-M556 HydrophobicContact CB-CE 3.71Å; K419-M556 HydrophobicContact CB-CG 4.13Å; K419-M556 HydrophobicContact CB-SD 3.37Å; K419-M556 WeakPolarHBondContact CB-SD 3.45Å; K419-M556 HydrophobicContact CD-CE 3.89Å; K419-M556 HydrophobicContact CD-SD 3.92Å; K419-M556 HydrophobicContact CG-CE 4.41Å; K419-M556 HydrophobicContact CG-SD 4.26Å
420V94.1Very high92Very high4 Ų444 Ų442%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-72.4130.9178.4176.40000111F423 M442 D463 W499 L519 L521V420-F423 HydrophobicContact CB-CB 3.96Å; V420-F423 HydrophobicContact CB-CD2 4.05Å; V420-F423 HydrophobicContact CB-CG 4.4Å; V420-F423 HydrophobicContact CG1-CB 3.96Å; V420-F423 HydrophobicContact CG1-CD2 4.01Å; V420-F423 HydrophobicContact CG1-CG 4.49Å; V420-F423 HydrophobicContact CG2-CD2 4.5Å; V420-M442 HydrophobicContact CG2-SD 3.94Å; V420-D463 HydrophobicContact CB-CB 4.26Å; V420-D463 HydrophobicContact CG2-CB 4.35Å; V420-W499 HydrophobicContact CG1-CH2 4Å; V420-W499 HydrophobicContact CG1-CZ2 3.5Å; V420-W499 VanDerWaalsContact CG1-CZ2 3.5Å; V420-L519 HydrophobicContact CB-CD1 4.48Å; V420-L519 HydrophobicContact CG1-CD1 3.45Å; V420-L519 VanDerWaalsContact CG1-CD1 3.45Å; V420-L519 HydrophobicContact CG1-CG 4.15Å; V420-L519 HydrophobicContact CG2-CD1 4.2Å; V420-L519 HydrophobicContact CG2-CD2 4.04Å; V420-L519 HydrophobicContact CG2-CG 4.31Å; V420-L521 HydrophobicContact CG2-CD2 3.89Å
421V92.4Very high91.7Very high8 Ų846.5 Ų46.55%0.04826%0.257CS..THydrogen-bonded Turntrans-69.5134.6176.8-175.90000110.1F423 Q520 Y522 P561V421-F423 PolarHBondContact O-N 2.93Å; V421-F423 VanDerWaalsContact O-N 3.08Å; V421-Q520 HydrophobicContact CB-CB 4.02Å; V421-Q520 HydrophobicContact CG2-CB 3.84Å; V421-Q520 PolarHBondContact N-O 3.42Å; V421-Y522 HydrophobicContact CB-CD2 4.37Å; V421-Y522 HydrophobicContact CB-CE2 3.93Å; V421-Y522 HydrophobicContact CG1-CE2 3.81Å; V421-Y522 HydrophobicContact CG2-CD1 4.32Å; V421-Y522 HydrophobicContact CG2-CD2 3.64Å; V421-Y522 HydrophobicContact CG2-CE1 4.22Å; V421-Y522 HydrophobicContact CG2-CE2 3.51Å; V421-Y522 HydrophobicContact CG2-CG 4.03Å; V421-P561 HydrophobicContact CG1-CG 4.44Å; V421-P561 HydrophobicContact CG2-CB 4.04Å; V421-P561 HydrophobicContact CG2-CG 4.28Å
422N88.6Confident91.4Very high89 Ų8943.6 Ų43.648%0.47625%0.246SC..THydrogen-bonded Turntrans55.123.5178.7-66.2-18.9000115.2S424 N425 Y426N422-S424 VanDerWaalsContact C-N 3.3Å; N422-S424 PolarHBondContact O-N 2.82Å; N422-N425 PolarHBondContact O-N 3.27Å; N422-Y426 HydrophobicContact CB-CD2 4.05Å; N422-Y426 HydrophobicContact CB-CE2 3.77Å; N422-Y426 VanDerWaalsContact O-CD2 3.25Å; N422-Y426 WeakPolarHBondContact O-CD2 3.29Å; N422-Y426 PolarHBondContact O-N 2.85Å
423F89.5Confident91.3Very high26 Ų2648.1 Ų48.111%0.11426%0.261CS..Hα-helixtrans-52-44.7-178-177.8-96.3000113.4V420 V421 N425 Y426 S427 I435 L439 D463 W499V420-F423 HydrophobicContact CB-CB 3.96Å; V420-F423 HydrophobicContact CB-CD2 4.05Å; V420-F423 HydrophobicContact CB-CG 4.4Å; V420-F423 HydrophobicContact CG1-CB 3.96Å; V420-F423 HydrophobicContact CG1-CD2 4.01Å; V420-F423 HydrophobicContact CG1-CG 4.49Å; V420-F423 HydrophobicContact CG2-CD2 4.5Å; V421-F423 PolarHBondContact O-N 2.93Å; V421-F423 VanDerWaalsContact O-N 3.08Å; F423-N425 VanDerWaalsContact C-N 3.27Å; F423-N425 PolarHBondContact O-N 3.44Å; F423-Y426 PolarHBondContact O-N 3.37Å; F423-S427 VanDerWaalsContact O-CB 3.25Å; F423-S427 WeakPolarHBondContact O-CB 3.36Å; F423-S427 PolarHBondContact O-N 2.85Å; F423-S427 PolarHBondContact O-OG 3.35Å; F423-I435 HydrophobicContact CE2-CG2 4.12Å; F423-I435 HydrophobicContact CZ-CG2 3.61Å; F423-L439 HydrophobicContact CE2-CD1 4.44Å; F423-L439 HydrophobicContact CE2-CD2 3.95Å; F423-L439 HydrophobicContact CE2-CG 4.34Å; F423-L439 HydrophobicContact CZ-CD1 4.08Å; F423-L439 HydrophobicContact CZ-CD2 4.34Å; F423-L439 HydrophobicContact CZ-CG 4.46Å; F423-D463 HydrophobicContact CB-CB 4.06Å; F423-D463 WeakPolarHBondContact CB-OD2 2.92Å; F423-D463 HydrophobicContact CD1-CB 3.64Å; F423-D463 HydrophobicContact CD2-CB 3.58Å; F423-D463 HydrophobicContact CE1-CB 3.92Å; F423-D463 HydrophobicContact CE2-CB 3.88Å; F423-D463 HydrophobicContact CG-CB 3.46Å; F423-D463 VanDerWaalsContact CG-CB 3.46Å; F423-D463 HydrophobicContact CZ-CB 4.03Å; F423-W499 AromaticContact CD2-CH2 3.91Å; F423-W499 HydrophobicContact CD2-CH2 3.91Å; F423-W499 HydrophobicContact CE2-CH2 4.44Å
424S88.6Confident90.8Very high87 Ų8753.1 Ų53.161%0.60828%0.283SS*.Hα-helixtrans-59.1-36.2178.9-60.50000113.1N422 S427 S428N422-S424 VanDerWaalsContact C-N 3.3Å; N422-S424 PolarHBondContact O-N 2.82Å; S424-S427 WeakPolarHBondContact CA-OG 3.45Å; S424-S427 PolarHBondContact O-OG 3.08Å; S424-S428 WeakPolarHBondContact O-CB 3.14Å; S424-S428 PolarHBondContact O-N 3.38Å
425N87.8Confident90.5Very high97 Ų9754.5 Ų54.552%0.51929%0.29SS..Hα-helixtrans-72.2-47.6178.9-66.6-6.2000110.4N422 F423 S428N422-N425 PolarHBondContact O-N 3.27Å; F423-N425 VanDerWaalsContact C-N 3.27Å; F423-N425 PolarHBondContact O-N 3.44Å; N425-S428 PolarHBondContact O-N 3.22Å; N425-S428 PolarHBondContact O-OG 3.31Å
426Y86.6Confident90.1Very high42 Ų4258.8 Ų58.817%0.16532%0.316CS..Hα-helixtrans-65.8-46.5178.7-66.6-62.7000112.2N422 F423 S428 R429 M430 W499 A503 L504N422-Y426 HydrophobicContact CB-CD2 4.05Å; N422-Y426 HydrophobicContact CB-CE2 3.77Å; N422-Y426 VanDerWaalsContact O-CD2 3.25Å; N422-Y426 WeakPolarHBondContact O-CD2 3.29Å; N422-Y426 PolarHBondContact O-N 2.85Å; F423-Y426 PolarHBondContact O-N 3.37Å; Y426-S428 VanDerWaalsContact C-N 3.26Å; Y426-S428 PolarHBondContact O-N 2.77Å; Y426-R429 PolarHBondContact O-N 3.03Å; Y426-M430 WeakPolarHBondContact O-CG 3.4Å; Y426-M430 PolarHBondContact O-N 3.27Å; Y426-W499 HydrophobicContact CD1-CD2 4.32Å; Y426-W499 HydrophobicContact CD2-CD2 4.08Å; Y426-W499 AromaticContact CD2-CE2 3.41Å; Y426-W499 VanDerWaalsContact CD2-CE2 3.41Å; Y426-W499 AromaticContact CD2-CH2 3.94Å; Y426-W499 HydrophobicContact CD2-CH2 3.94Å; Y426-W499 AromaticContact CD2-CZ2 3.31Å; Y426-W499 HydrophobicContact CD2-CZ2 3.31Å; Y426-W499 AromaticContact CD2-NE1 3.73Å; Y426-W499 AromaticContact CE2-CE2 3.76Å; Y426-W499 HydrophobicContact CE2-CZ2 4.01Å; Y426-W499 AromaticContact CE2-NE1 3.54Å; Y426-W499 AromaticContact CG-CD2 3.96Å; Y426-W499 HydrophobicContact CG-CD2 3.96Å; Y426-W499 AromaticContact CG-CE2 3.78Å; Y426-W499 HydrophobicContact CG-CE3 4.17Å; Y426-W499 HydrophobicContact CG-CH2 4.05Å; Y426-W499 AromaticContact CG-CZ2 3.81Å; Y426-W499 HydrophobicContact CG-CZ2 3.81Å; Y426-W499 HydrophobicContact CG-CZ3 4.23Å; Y426-W499 AromaticContact CZ-NE1 3.99Å; Y426-A503 HydrophobicContact CD1-CB 3.85Å; Y426-L504 HydrophobicContact CE1-CD2 4.32Å
427S86.4Confident89.9Confident28 Ų2862.5 Ų62.520%0.19634%0.336CS..Hα-helixtrans-60.6-32.3177.654.60000113.1F423 S424 R429 M430 I435F423-S427 VanDerWaalsContact O-CB 3.25Å; F423-S427 WeakPolarHBondContact O-CB 3.36Å; F423-S427 PolarHBondContact O-N 2.85Å; F423-S427 PolarHBondContact O-OG 3.35Å; S424-S427 WeakPolarHBondContact CA-OG 3.45Å; S424-S427 PolarHBondContact O-OG 3.08Å; S427-R429 PolarHBondContact O-N 2.83Å; S427-M430 PolarHBondContact O-N 2.83Å; S427-I435 WeakPolarHBondContact O-CD1 3.36Å
428S87.5Confident89.5Confident92 Ų9262.6 Ų62.664%0.64334%0.337SS*.Hα-helixtrans-65.7-21.3176.5740000114.2S424 N425 Y426S424-S428 WeakPolarHBondContact O-CB 3.14Å; S424-S428 PolarHBondContact O-N 3.38Å; N425-S428 PolarHBondContact O-N 3.22Å; N425-S428 PolarHBondContact O-OG 3.31Å; Y426-S428 VanDerWaalsContact C-N 3.26Å; Y426-S428 PolarHBondContact O-N 2.77Å
429R86.6Confident89.3Confident115 Ų11563.7 Ų63.743%0.43434%0.343SS..THydrogen-bonded Turntrans-99.6-3.5-177.6-61.7175.6-178.9-171-6.3112.9Y426 S427 D506Y426-R429 PolarHBondContact O-N 3.03Å; S427-R429 PolarHBondContact O-N 2.83Å; R429-D506 IonicContact CZ-OD1 3.97Å; R429-D506 VanDerWaalsContact CZ-OD1 3.26Å; R429-D506 IonicContact NH1-OD1 3Å; R429-D506 PolarHBondContact NH1-OD1 3.24Å; R429-D506 IonicContact NH2-OD1 3.87Å; R429-D506 PolarHBondContact NH2-OD1 3.23Å
430M84.1Confident89.2Confident16 Ų1664.7 Ų64.78%0.07935%0.352CS..SBendtrans-114.3152.4-170.8-70.7-176.663.300112.5Y426 S427 K434 I435 I438 W499 P500 A503Y426-M430 WeakPolarHBondContact O-CG 3.4Å; Y426-M430 PolarHBondContact O-N 3.27Å; S427-M430 PolarHBondContact O-N 2.83Å; M430-K434 HydrophobicContact CE-CB 3.62Å; M430-I435 HydrophobicContact CB-CD1 4.11Å; M430-I435 HydrophobicContact CB-CG1 3.85Å; M430-I435 HydrophobicContact CE-CG1 4.47Å; M430-I438 HydrophobicContact CE-CD1 3.7Å; M430-W499 HydrophobicContact SD-CE3 4.03Å; M430-W499 HydrophobicContact SD-CZ3 4.08Å; M430-P500 HydrophobicContact CE-CG 3.25Å; M430-P500 HydrophobicContact SD-CG 3.99Å; M430-A503 HydrophobicContact CG-CB 4.06Å; M430-A503 HydrophobicContact SD-CB 3.77Å
431C87.8Confident89.2Confident70 Ų7069.7 Ų69.747%0.47338%0.375SS..  trans-63.9134.5169.2-173.60000110H433 K434 I435C431-H433 PolarHBondContact O-N 2.86Å; C431-H433 VanDerWaalsContact O-N 3.08Å; C431-K434 PolarHBondContact O-N 2.99Å; C431-I435 PolarHBondContact O-N 3.36Å
432P88.7Confident89.2Confident90 Ų9069.3 Ų69.358%0.58437%0.373SS*.Hα-helixtrans-48.8-38.3178.1-31.736.5000114.8K434 I435 V436P432-K434 PolarHBondContact O-N 3.44Å; P432-I435 PolarHBondContact O-N 3.2Å; P432-V436 WeakPolarHBondContact O-CG2 3.47Å; P432-V436 PolarHBondContact O-N 2.76Å; P432-V436 VanDerWaalsContact O-N 3.13Å
433H90.6Very high89.5Confident145 Ų14567 Ų6767%0.67136%0.357SS*.Hα-helixtrans-59.9-42.9177.9-62.592000112.6C431 I435 V436 D437C431-H433 PolarHBondContact O-N 2.86Å; C431-H433 VanDerWaalsContact O-N 3.08Å; H433-I435 VanDerWaalsContact C-N 3.34Å; H433-I435 PolarHBondContact O-N 2.92Å; H433-V436 PolarHBondContact O-N 3.47Å; H433-D437 PolarHBondContact O-N 3.05Å
434K87.2Confident89.7Confident105 Ų10569.6 Ų69.646%0.45738%0.376SS..Hα-helixtrans-69.2-32.1179.5-69.3-65.1-172.1-178.90112.8M430 C431 P432 D437 I438M430-K434 HydrophobicContact CE-CB 3.62Å; C431-K434 PolarHBondContact O-N 2.99Å; P432-K434 PolarHBondContact O-N 3.44Å; K434-D437 PolarHBondContact O-N 3.27Å; K434-I438 WeakPolarHBondContact O-CG1 3.47Å; K434-I438 PolarHBondContact O-N 2.87Å; K434-I438 VanDerWaalsContact O-N 3.08Å
435I89.3Confident90Very high29 Ų2967.9 Ų67.915%0.14936%0.359CS..Hα-helixtrans-65.1-45.1174.9-59.8165.2000109.6F423 S427 M430 C431 P432 H433 D437 I438 L439F423-I435 HydrophobicContact CE2-CG2 4.12Å; F423-I435 HydrophobicContact CZ-CG2 3.61Å; S427-I435 WeakPolarHBondContact O-CD1 3.36Å; M430-I435 HydrophobicContact CB-CD1 4.11Å; M430-I435 HydrophobicContact CB-CG1 3.85Å; M430-I435 HydrophobicContact CE-CG1 4.47Å; C431-I435 PolarHBondContact O-N 3.36Å; P432-I435 PolarHBondContact O-N 3.2Å; H433-I435 VanDerWaalsContact C-N 3.34Å; H433-I435 PolarHBondContact O-N 2.92Å; I435-D437 VanDerWaalsContact C-N 3.33Å; I435-D437 PolarHBondContact O-N 3.07Å; I435-I438 PolarHBondContact O-N 3.33Å; I435-L439 HydrophobicContact CG2-CD1 4.09Å; I435-L439 HydrophobicContact CG2-CG 4.47Å; I435-L439 WeakPolarHBondContact O-CB 3.48Å; I435-L439 WeakPolarHBondContact O-CG 3.39Å; I435-L439 PolarHBondContact O-N 3.49Å
436V91.2Very high90.3Very high91 Ų9163.2 Ų63.255%0.55233%0.334SS*.Hα-helixtrans-61.9-42.1176175.30000110.9P432 H433 I438 L439 N440P432-V436 WeakPolarHBondContact O-CG2 3.47Å; P432-V436 PolarHBondContact O-N 2.76Å; P432-V436 VanDerWaalsContact O-N 3.13Å; H433-V436 PolarHBondContact O-N 3.47Å; V436-I438 PolarHBondContact O-N 2.92Å; V436-L439 PolarHBondContact O-N 3.47Å; V436-N440 VanDerWaalsContact O-CB 3.24Å; V436-N440 WeakPolarHBondContact O-CB 3.45Å; V436-N440 PolarHBondContact O-N 2.86Å
437D91.4Very high90.6Very high79 Ų7963.9 Ų63.942%0.42234%0.341SS..Hα-helixtrans-59.9-47.1177.6-68.9-23.5000112.1H433 K434 I435 N440 Q441H433-D437 PolarHBondContact O-N 3.05Å; K434-D437 PolarHBondContact O-N 3.27Å; I435-D437 VanDerWaalsContact C-N 3.33Å; I435-D437 PolarHBondContact O-N 3.07Å; D437-N440 PolarHBondContact O-N 2.93Å; D437-Q441 WeakPolarHBondContact O-CB 3.45Å; D437-Q441 VanDerWaalsContact O-CG 3.27Å; D437-Q441 WeakPolarHBondContact O-CG 3.34Å; D437-Q441 PolarHBondContact O-N 3.41Å
438I90.4Very high91Very high22 Ų2266.7 Ų66.711%0.11336%0.36CS..Hα-helixtrans-65.9-43.6179.3-67.4168.2000111M430 K434 I435 V436 N440 Q441 M442 W499 P500M430-I438 HydrophobicContact CE-CD1 3.7Å; K434-I438 WeakPolarHBondContact O-CG1 3.47Å; K434-I438 PolarHBondContact O-N 2.87Å; K434-I438 VanDerWaalsContact O-N 3.08Å; I435-I438 PolarHBondContact O-N 3.33Å; V436-I438 PolarHBondContact O-N 2.92Å; I438-N440 VanDerWaalsContact C-N 3.34Å; I438-N440 PolarHBondContact O-N 3.5Å; I438-Q441 PolarHBondContact O-N 3.47Å; I438-M442 VanDerWaalsContact O-CB 3.31Å; I438-M442 WeakPolarHBondContact O-CB 3.49Å; I438-M442 PolarHBondContact O-N 3.28Å; I438-W499 HydrophobicContact CD1-CE3 4.37Å; I438-P500 HydrophobicContact CD1-CG 3.95Å
439L92.1Very high91.2Very high25 Ų2563.3 Ų63.313%0.13133%0.334CS..Hα-helixtrans-63-41.9176.3-71.6177.1000111.2F423 I435 V436 M442 Y443F423-L439 HydrophobicContact CE2-CD1 4.44Å; F423-L439 HydrophobicContact CE2-CD2 3.95Å; F423-L439 HydrophobicContact CE2-CG 4.34Å; F423-L439 HydrophobicContact CZ-CD1 4.08Å; F423-L439 HydrophobicContact CZ-CD2 4.34Å; F423-L439 HydrophobicContact CZ-CG 4.46Å; I435-L439 HydrophobicContact CG2-CD1 4.09Å; I435-L439 HydrophobicContact CG2-CG 4.47Å; I435-L439 WeakPolarHBondContact O-CB 3.48Å; I435-L439 WeakPolarHBondContact O-CG 3.39Å; I435-L439 PolarHBondContact O-N 3.49Å; V436-L439 PolarHBondContact O-N 3.47Å; L439-M442 HydrophobicContact CD2-CE 3.86Å; L439-M442 WeakPolarHBondContact O-CB 3.42Å; L439-M442 PolarHBondContact O-N 2.92Å; L439-Y443 HydrophobicContact CB-CE2 4.16Å; L439-Y443 WeakPolarHBondContact O-CB 3.34Å; L439-Y443 WeakPolarHBondContact O-CD2 3.3Å; L439-Y443 PolarHBondContact O-N 3.4Å
440N93.1Very high91.5Very high98 Ų9858.9 Ų58.952%0.52432%0.321SS..Hα-helixtrans-66.1-39.7177.8-170.163.3000111.8V436 D437 I438 T444V436-N440 VanDerWaalsContact O-CB 3.24Å; V436-N440 WeakPolarHBondContact O-CB 3.45Å; V436-N440 PolarHBondContact O-N 2.86Å; D437-N440 PolarHBondContact O-N 2.93Å; I438-N440 VanDerWaalsContact C-N 3.34Å; I438-N440 PolarHBondContact O-N 3.5Å; N440-T444 VanDerWaalsContact O-CB 3.27Å; N440-T444 WeakPolarHBondContact O-CB 3.43Å; N440-T444 PolarHBondContact O-N 3.35Å; N440-T444 PolarHBondContact O-OG1 3.1Å
441Q93.3Very high91.7Very high109 Ų10965.3 Ų65.351%0.50935%0.35SS..Hα-helixtrans-61.4-46.1172.1-74.117412.700111.4D437 I438 T444 L445 L497D437-Q441 WeakPolarHBondContact O-CB 3.45Å; D437-Q441 VanDerWaalsContact O-CG 3.27Å; D437-Q441 WeakPolarHBondContact O-CG 3.34Å; D437-Q441 PolarHBondContact O-N 3.41Å; I438-Q441 PolarHBondContact O-N 3.47Å; Q441-T444 PolarHBondContact O-N 3.48Å; Q441-L445 WeakPolarHBondContact O-CG 3.47Å; Q441-L445 PolarHBondContact O-N 2.98Å; Q441-L497 HydrophobicContact CB-CD2 4.25Å
442M93.3Very high91.7Very high1 Ų165.1 Ų65.11%0.00535%0.35CS..Hα-helixtrans-59.8-49.8177.7-176-176.776.100111.6V420 I438 L439 L445 Y446 L497 L519V420-M442 HydrophobicContact CG2-SD 3.94Å; I438-M442 VanDerWaalsContact O-CB 3.31Å; I438-M442 WeakPolarHBondContact O-CB 3.49Å; I438-M442 PolarHBondContact O-N 3.28Å; L439-M442 HydrophobicContact CD2-CE 3.86Å; L439-M442 WeakPolarHBondContact O-CB 3.42Å; L439-M442 PolarHBondContact O-N 2.92Å; M442-L445 PolarHBondContact O-N 2.93Å; M442-Y446 HydrophobicContact CE-CE2 4.27Å; M442-Y446 HydrophobicContact CG-CD2 3.99Å; M442-Y446 HydrophobicContact CG-CE1 4.12Å; M442-Y446 HydrophobicContact CG-CE2 3.26Å; M442-Y446 VanDerWaalsContact CG-OH 3.29Å; M442-Y446 WeakPolarHBondContact CG-OH 3.29Å; M442-Y446 WeakPolarHBondContact O-CD1 3.47Å; M442-Y446 VanDerWaalsContact O-CG 3.27Å; M442-Y446 PolarHBondContact O-N 3.15Å; M442-Y446 HydrophobicContact SD-CE2 3.76Å; M442-L497 HydrophobicContact CB-CD1 3.93Å; M442-L497 HydrophobicContact CG-CD1 3.82Å; M442-L519 HydrophobicContact SD-CD2 3.88Å
443Y94.1Very high91.8Very high40 Ų4061.9 Ų61.916%0.15733%0.327CS..Hα-helixtrans-66.2-40.3178.8-63.4-32.5000112.6L439 L445 Y446 D447 N462 Y465L439-Y443 HydrophobicContact CB-CE2 4.16Å; L439-Y443 WeakPolarHBondContact O-CB 3.34Å; L439-Y443 WeakPolarHBondContact O-CD2 3.3Å; L439-Y443 PolarHBondContact O-N 3.4Å; Y443-L445 VanDerWaalsContact C-N 3.3Å; Y443-L445 PolarHBondContact O-N 3.33Å; Y443-Y446 PolarHBondContact O-N 2.93Å; Y443-D447 WeakPolarHBondContact O-CB 3.22Å; Y443-D447 PolarHBondContact O-N 3.14Å; Y443-N462 PolarHBondContact OH-O 3.05Å; Y443-Y465 AromaticContact CD1-CD2 3.49Å; Y443-Y465 HydrophobicContact CD1-CD2 3.49Å; Y443-Y465 VanDerWaalsContact CD1-CD2 3.49Å; Y443-Y465 AromaticContact CD1-CE2 3.79Å; Y443-Y465 HydrophobicContact CD1-CE2 3.79Å; Y443-Y465 AromaticContact CE1-CD2 3.59Å; Y443-Y465 HydrophobicContact CE1-CD2 3.59Å; Y443-Y465 HydrophobicContact CE1-CE2 4.32Å; Y443-Y465 HydrophobicContact CE1-CG 4.46Å
444T93.9Very high91.8Very high81 Ų8156.1 Ų56.150%0.49730%0.301SS..Hα-helixtrans-60.2-43176.8-57.90000111N440 Q441 S448N440-T444 VanDerWaalsContact O-CB 3.27Å; N440-T444 WeakPolarHBondContact O-CB 3.43Å; N440-T444 PolarHBondContact O-N 3.35Å; N440-T444 PolarHBondContact O-OG1 3.1Å; Q441-T444 PolarHBondContact O-N 3.48Å; T444-S448 WeakPolarHBondContact O-CB 3.35Å; T444-S448 PolarHBondContact O-N 2.9Å; T444-S448 VanDerWaalsContact O-N 3.14Å
445L94Very high92.1Very high50 Ų5051.7 Ų51.726%0.26228%0.283SS..Hα-helixtrans-62.6-48.4176.2-76.8167.8000111.5Q441 M442 Y443 S448 V492 H496 L497Q441-L445 WeakPolarHBondContact O-CG 3.47Å; Q441-L445 PolarHBondContact O-N 2.98Å; M442-L445 PolarHBondContact O-N 2.93Å; Y443-L445 VanDerWaalsContact C-N 3.3Å; Y443-L445 PolarHBondContact O-N 3.33Å; L445-S448 PolarHBondContact O-N 3.2Å; L445-S448 PolarHBondContact O-OG 2.73Å; L445-V492 HydrophobicContact CB-CG1 4.27Å; L445-V492 HydrophobicContact CD1-CG1 4.2Å; L445-V492 HydrophobicContact CD2-CG1 4.08Å; L445-V492 HydrophobicContact CG-CG1 4.43Å; L445-H496 HydrophobicContact CD1-CB 4.12Å; L445-L497 HydrophobicContact CD1-CD1 4.2Å; L445-L497 HydrophobicContact CD1-CD2 3.85Å; L445-L497 HydrophobicContact CD1-CG 3.96Å
446Y95.1Very high92.4Very high0 Ų052.9 Ų52.90%029%0.286CS..Hα-helixtrans-69.5-42.9-177.9-58.9-11.8000112.2M442 Y443 S448 M449 T450 Y465 M485 I489 T493 L497 L521M442-Y446 HydrophobicContact CE-CE2 4.27Å; M442-Y446 HydrophobicContact CG-CD2 3.99Å; M442-Y446 HydrophobicContact CG-CE1 4.12Å; M442-Y446 HydrophobicContact CG-CE2 3.26Å; M442-Y446 VanDerWaalsContact CG-OH 3.29Å; M442-Y446 WeakPolarHBondContact CG-OH 3.29Å; M442-Y446 WeakPolarHBondContact O-CD1 3.47Å; M442-Y446 VanDerWaalsContact O-CG 3.27Å; M442-Y446 PolarHBondContact O-N 3.15Å; M442-Y446 HydrophobicContact SD-CE2 3.76Å; Y443-Y446 PolarHBondContact O-N 2.93Å; Y446-S448 PolarHBondContact O-N 3.4Å; Y446-M449 HydrophobicContact CD1-CE 3.87Å; Y446-M449 PolarHBondContact O-N 3.23Å; Y446-T450 PolarHBondContact O-N 2.73Å; Y446-Y465 AromaticContact CD2-CD1 3.86Å; Y446-Y465 HydrophobicContact CD2-CD1 3.86Å; Y446-Y465 HydrophobicContact CD2-CD2 4.26Å; Y446-Y465 HydrophobicContact CD2-CE1 4.04Å; Y446-Y465 HydrophobicContact CD2-CE2 4.4Å; Y446-Y465 AromaticContact CD2-CG 3.97Å; Y446-Y465 HydrophobicContact CD2-CG 3.97Å; Y446-Y465 HydrophobicContact CG-CE1 4.36Å; Y446-M485 WeakPolarHBondContact O-CE 3.32Å; Y446-I489 HydrophobicContact CD1-CG1 4.07Å; Y446-I489 HydrophobicContact CD1-CG2 4.37Å; Y446-I489 HydrophobicContact CE1-CB 4.47Å; Y446-I489 HydrophobicContact CE1-CG1 4.34Å; Y446-I489 HydrophobicContact CE1-CG2 3.81Å; Y446-I489 HydrophobicContact CE2-CG2 4.3Å; Y446-I489 HydrophobicContact CG-CG1 4.35Å; Y446-T493 WeakPolarHBondContact CE1-OG1 3.3Å; Y446-T493 PolarHBondContact OH-OG1 3.49Å; Y446-L497 HydrophobicContact CE1-CD1 4.42Å; Y446-L521 WeakPolarHBondContact OH-CD1 3.36Å
447D93.2Very high92.5Very high55 Ų5551.7 Ų51.729%0.29427%0.273SS..Hα-helixtrans-57.5-40.2178.2-68.8-2.6000110.3Y443 M449 T450 K457 Y465Y443-D447 WeakPolarHBondContact O-CB 3.22Å; Y443-D447 PolarHBondContact O-N 3.14Å; D447-M449 PolarHBondContact O-N 3.47Å; D447-T450 WeakPolarHBondContact O-CB 3.33Å; D447-T450 PolarHBondContact O-N 2.75Å; D447-T450 VanDerWaalsContact O-N 3.14Å; D447-T450 PolarHBondContact O-OG1 2.96Å; D447-K457 VanDerWaalsContact OD1-CD 3.26Å; D447-K457 WeakPolarHBondContact OD1-CD 3.31Å; D447-K457 WeakPolarHBondContact OD1-CE 3.37Å; D447-K457 IonicContact OD1-NZ 3.82Å; D447-K457 PolarHBondContact OD1-NZ 2.96Å; D447-K457 IonicContact OD2-NZ 3.3Å; D447-K457 PolarHBondContact OD2-NZ 3.28Å; D447-Y465 WeakPolarHBondContact OD1-CE2 3.34Å; D447-Y465 PolarHBondContact OD1-OH 3.04Å
448S93.3Very high92.5Very high87 Ų8748.4 Ų48.461%0.60826%0.256SS*.Hα-helixtrans-62.4-22.2177.377.50000114.7T444 L445 Y446T444-S448 WeakPolarHBondContact O-CB 3.35Å; T444-S448 PolarHBondContact O-N 2.9Å; T444-S448 VanDerWaalsContact O-N 3.14Å; L445-S448 PolarHBondContact O-N 3.2Å; L445-S448 PolarHBondContact O-OG 2.73Å; Y446-S448 PolarHBondContact O-N 3.4Å
449M92.7Very high92.3Very high21 Ų2152 Ų5210%0.10327%0.272CS..THydrogen-bonded Turntrans-95.7-6.5179.8-63.8-175.1-71.500113.1Y446 D447 S452 H453 M485 D488 I489 V492Y446-M449 HydrophobicContact CD1-CE 3.87Å; Y446-M449 PolarHBondContact O-N 3.23Å; D447-M449 PolarHBondContact O-N 3.47Å; M449-S452 PolarHBondContact O-N 3.25Å; M449-S452 PolarHBondContact O-OG 3Å; M449-H453 PolarHBondContact O-N 2.97Å; M449-H453 PolarHBondContact O-ND1 2.83Å; M449-M485 HydrophobicContact CB-CE 3.87Å; M449-M485 HydrophobicContact CB-SD 3.79Å; M449-D488 HydrophobicContact SD-CB 4.39Å; M449-I489 HydrophobicContact CE-CG1 4.09Å; M449-V492 HydrophobicContact CE-CB 4.27Å; M449-V492 HydrophobicContact CE-CG1 4.35Å; M449-V492 HydrophobicContact CE-CG2 4.26Å; M449-V492 HydrophobicContact SD-CB 4.49Å; M449-V492 HydrophobicContact SD-CG2 3.84Å
450T92.3Very high91.8Very high23 Ų2352.7 Ų52.714%0.14128%0.277CS..THydrogen-bonded Turntrans-66-45.8-17555.60000112.4Y446 D447 S452 H453 N454 V455 L467 M485Y446-T450 PolarHBondContact O-N 2.73Å; D447-T450 WeakPolarHBondContact O-CB 3.33Å; D447-T450 PolarHBondContact O-N 2.75Å; D447-T450 VanDerWaalsContact O-N 3.14Å; D447-T450 PolarHBondContact O-OG1 2.96Å; T450-S452 PolarHBondContact O-N 3.23Å; T450-H453 PolarHBondContact O-N 3.39Å; T450-N454 PolarHBondContact O-N 3.03Å; T450-V455 WeakPolarHBondContact CB-O 3.27Å; T450-V455 HydrophobicContact CG2-CG2 4.11Å; T450-V455 WeakPolarHBondContact O-CG2 3.49Å; T450-V455 PolarHBondContact O-N 2.93Å; T450-V455 VanDerWaalsContact O-N 3.13Å; T450-L467 HydrophobicContact CG2-CD2 4.12Å; T450-M485 HydrophobicContact CG2-CE 4.23Å
451E88Confident91.4Very high150 Ų15054.3 Ų54.370%0.70128%0.284SS*.G310 helixtrans-64.7-40.5178.5-63.1-171.6160.600111.8H453 N454E451-H453 PolarHBondContact O-N 3.3Å; E451-N454 PolarHBondContact O-N 3.38Å
452S88.2Confident91Very high66 Ų6654.8 Ų54.846%0.46229%0.29SS..G310 helixtrans-70.3-12.7-177.966.60000114.3M449 T450 I628M449-S452 PolarHBondContact O-N 3.25Å; M449-S452 PolarHBondContact O-OG 3Å; T450-S452 PolarHBondContact O-N 3.23Å; S452-I628 WeakPolarHBondContact O-CD1 3.44Å
453H90.8Very high90.9Very high22 Ų2255.2 Ų55.210%0.10229%0.293CS..G310 helixtrans-116.95.4-180-67.597.4000113.1M449 T450 E451 V455 H481 M485 D488M449-H453 PolarHBondContact O-N 2.97Å; M449-H453 PolarHBondContact O-ND1 2.83Å; T450-H453 PolarHBondContact O-N 3.39Å; E451-H453 PolarHBondContact O-N 3.3Å; H453-V455 VanDerWaalsContact C-N 3.27Å; H453-V455 HydrophobicContact CB-CG1 4.03Å; H453-V455 HydrophobicContact CB-CG2 4.21Å; H453-V455 WeakPolarHBondContact O-CG1 3.28Å; H453-V455 PolarHBondContact O-N 3Å; H453-H481 WeakPolarHBondContact O-CB 3.46Å; H453-H481 VanDerWaalsContact O-CG 3.26Å; H453-H481 PolarHBondContact O-ND1 3.28Å; H453-M485 HydrophobicContact CB-CB 4.05Å; H453-M485 HydrophobicContact CB-SD 4.26Å; H453-D488 IonicContact CE1-OD2 3.3Å; H453-D488 IonicContact NE2-OD2 3.65Å; H453-D488 PolarHBondContact NE2-OD2 3.31Å
454N91Very high90.8Very high24 Ų2454.5 Ų54.513%0.12829%0.293CS..THydrogen-bonded Turntrans50.248.4-174.3-163.819.4000112.7T450 E451 S469 I628 H631T450-N454 PolarHBondContact O-N 3.03Å; E451-N454 PolarHBondContact O-N 3.38Å; N454-S469 PolarHBondContact O-OG 3.45Å; N454-S469 VanDerWaalsContact O-OG 3.09Å; N454-I628 HydrophobicContact CB-CG1 3.97Å; N454-H631 PolarHBondContact OD1-CD2 3.24Å
455V94Very high90.9Very high13 Ų1350.6 Ų50.68%0.07927%0.27CS..  trans-120.1145.7177-57.40000109.6T450 H453 L467 H481 I482 M485T450-V455 WeakPolarHBondContact CB-O 3.27Å; T450-V455 HydrophobicContact CG2-CG2 4.11Å; T450-V455 WeakPolarHBondContact O-CG2 3.49Å; T450-V455 PolarHBondContact O-N 2.93Å; T450-V455 VanDerWaalsContact O-N 3.13Å; H453-V455 VanDerWaalsContact C-N 3.27Å; H453-V455 HydrophobicContact CB-CG1 4.03Å; H453-V455 HydrophobicContact CB-CG2 4.21Å; H453-V455 WeakPolarHBondContact O-CG1 3.28Å; H453-V455 PolarHBondContact O-N 3Å; V455-L467 HydrophobicContact CG2-CD2 4.23Å; V455-H481 HydrophobicContact CG1-CB 4.42Å; V455-I482 HydrophobicContact CB-CD1 4.2Å; V455-I482 HydrophobicContact CG1-CD1 3.66Å; V455-I482 HydrophobicContact CG1-CG1 4.26Å; V455-M485 HydrophobicContact CG1-CB 4.16Å; V455-M485 HydrophobicContact CG1-CG 4.4Å; V455-M485 HydrophobicContact CG2-CE 4.25Å; V455-M485 HydrophobicContact CG2-CG 4.02Å; V455-M485 HydrophobicContact CG2-SD 4.16Å
456Y94Very high91Very high54 Ų5448.9 Ų48.921%0.21226%0.261CS..EExtended strand (participates in β ladder)trans-109133.9177.8-174-97.7000110.8P390 I458 L467 V468 Y542P390-Y456 HydrophobicContact CB-CD2 4.28Å; P390-Y456 HydrophobicContact CB-CE2 3.71Å; P390-Y456 WeakPolarHBondContact CD-OH 3.24Å; P390-Y456 HydrophobicContact CG-CD2 4.48Å; P390-Y456 HydrophobicContact CG-CE1 3.97Å; P390-Y456 HydrophobicContact CG-CE2 3.75Å; P390-Y456 VanDerWaalsContact CG-CZ 3.48Å; Y456-I458 HydrophobicContact CD1-CD1 3.7Å; Y456-I458 HydrophobicContact CE1-CD1 3.89Å; Y456-L467 WeakPolarHBondContact O-CA 3.44Å; Y456-V468 HydrophobicContact CD1-CG1 4.31Å; Y456-V468 PolarHBondContact N-O 3.39Å; Y456-V468 PolarHBondContact O-N 2.9Å; Y456-Y542 HydrophobicContact CD1-CD1 4.13Å; Y456-Y542 HydrophobicContact CD1-CE1 4.37Å; Y456-Y542 AromaticContact CE1-CD1 3.67Å; Y456-Y542 HydrophobicContact CE1-CD1 3.67Å; Y456-Y542 HydrophobicContact CE1-CE1 4.32Å; Y456-Y542 HydrophobicContact CE1-CG 4.41Å
457K93.8Very high91.1Very high66 Ų6649 Ų4929%0.28726%0.261SS..EExtended strand (participates in β ladder)trans-79.8123.9175.7176.6-168.5-174.2165.80110.3D447 Y465 L467D447-K457 VanDerWaalsContact OD1-CD 3.26Å; D447-K457 WeakPolarHBondContact OD1-CD 3.31Å; D447-K457 WeakPolarHBondContact OD1-CE 3.37Å; D447-K457 IonicContact OD1-NZ 3.82Å; D447-K457 PolarHBondContact OD1-NZ 2.96Å; D447-K457 IonicContact OD2-NZ 3.3Å; D447-K457 PolarHBondContact OD2-NZ 3.28Å; K457-Y465 HydrophobicContact CD-CE2 4.06Å; K457-Y465 HydrophobicContact CG-CE2 4.08Å; K457-L467 HydrophobicContact CB-CD2 4.35Å
458I92.8Very high91.2Very high10 Ų1046.3 Ų46.35%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-91.7154.8169.9-56.8-63.7000109.2Y456 T460 M466 V468 Y542 L544Y456-I458 HydrophobicContact CD1-CD1 3.7Å; Y456-I458 HydrophobicContact CE1-CD1 3.89Å; I458-T460 WeakPolarHBondContact O-CG2 3.33Å; I458-M466 HydrophobicContact CB-CB 4.2Å; I458-M466 HydrophobicContact CB-CE 4.3Å; I458-M466 HydrophobicContact CB-CG 3.94Å; I458-M466 HydrophobicContact CB-SD 3.85Å; I458-M466 HydrophobicContact CG1-CE 4.19Å; I458-M466 HydrophobicContact CG1-CG 4.38Å; I458-M466 HydrophobicContact CG1-SD 4.38Å; I458-M466 HydrophobicContact CG2-CE 4.15Å; I458-M466 HydrophobicContact CG2-CG 4.41Å; I458-M466 HydrophobicContact CG2-SD 3.65Å; I458-M466 PolarHBondContact N-O 3.13Å; I458-V468 HydrophobicContact CD1-CG1 3.81Å; I458-V468 HydrophobicContact CG1-CB 4.43Å; I458-V468 HydrophobicContact CG1-CG1 3.85Å; I458-Y542 HydrophobicContact CD1-CD1 3.83Å; I458-Y542 HydrophobicContact CD1-CE1 4.22Å; I458-L544 HydrophobicContact CD1-CD1 3.94Å; I458-L544 HydrophobicContact CD1-CD2 3.88Å; I458-L544 HydrophobicContact CD1-CG 3.75Å; I458-L544 HydrophobicContact CG1-CD1 3.83Å; I458-L544 HydrophobicContact CG1-CG 4.06Å
459E85.2Confident91.3Very high96 Ų9642.2 Ų42.245%0.44922%0.218SC..PPolyproline II helixtrans-57.5142.2171.5-80.4-160.6156.100112R541E459-R541 VanDerWaalsContact CD-CG 3.47Å; E459-R541 WeakPolarHBondContact OE1-CG 3.24Å; E459-R541 IonicContact OE1-CZ 3.46Å; E459-R541 IonicContact OE1-NE 2.86Å; E459-R541 IonicContact OE1-NH1 3.44Å; E459-R541 WeakPolarHBondContact OE2-CD 3.15Å; E459-R541 VanDerWaalsContact OE2-CG 3.23Å; E459-R541 WeakPolarHBondContact OE2-CG 3.36Å; E459-R541 IonicContact OE2-CZ 3.18Å; E459-R541 IonicContact OE2-NE 2.66Å; E459-R541 PolarHBondContact OE2-NE 2.96Å; E459-R541 VanDerWaalsContact OE2-NE 3.17Å; E459-R541 IonicContact OE2-NH1 3.17Å; E459-R541 PolarHBondContact OE2-NH1 2.87Å
460T80.8Confident91.3Very high41 Ų4141.4 Ų41.425%0.25222%0.215SC..  trans-130.6160.6-169.146.50000111.4I458 S464 Y465 M466I458-T460 WeakPolarHBondContact O-CG2 3.33Å; T460-S464 WeakPolarHBondContact CB-O 3.28Å; T460-Y465 VanDerWaalsContact CG2-CA 3.45Å; T460-M466 HydrophobicContact CG2-CB 3.67Å
461I84.7Confident91.4Very high131 Ų13140.5 Ų40.567%0.67221%0.21SC*.  trans-119.2126.6-178-54.5173.9000108D463 S464I461-D463 PolarHBondContact O-N 3.34Å; I461-S464 WeakPolarHBondContact O-CB 3.47Å; I461-S464 PolarHBondContact O-N 2.99Å
462N86.6Confident91.4Very high119 Ų11933.9 Ų33.964%0.63618%0.18SC*.THydrogen-bonded Turntrans56.5-113.2174.7-61.8-25.7000114.4Y443Y443-N462 PolarHBondContact OH-O 3.05Å
463D91Very high91.4Very high11 Ų1131.5 Ų31.56%0.05916%0.163CC..THydrogen-bonded Turntrans-97.31.2-17665.4-40.9000113K419 V420 F423 I461K419-D463 VanDerWaalsContact CE-OD2 3.28Å; K419-D463 WeakPolarHBondContact CE-OD2 3.42Å; K419-D463 VanDerWaalsContact CG-OD2 3.25Å; K419-D463 WeakPolarHBondContact CG-OD2 3.34Å; V420-D463 HydrophobicContact CB-CB 4.26Å; V420-D463 HydrophobicContact CG2-CB 4.35Å; F423-D463 HydrophobicContact CB-CB 4.06Å; F423-D463 WeakPolarHBondContact CB-OD2 2.92Å; F423-D463 HydrophobicContact CD1-CB 3.64Å; F423-D463 HydrophobicContact CD2-CB 3.58Å; F423-D463 HydrophobicContact CE1-CB 3.92Å; F423-D463 HydrophobicContact CE2-CB 3.88Å; F423-D463 HydrophobicContact CG-CB 3.46Å; F423-D463 VanDerWaalsContact CG-CB 3.46Å; F423-D463 HydrophobicContact CZ-CB 4.03Å; I461-D463 PolarHBondContact O-N 3.34Å
464S92.2Very high91.3Very high24 Ų2435.6 Ų35.617%0.16819%0.192CC..EExtended strand (participates in β ladder)trans-84.5147.2178-56.60000110T418 T460 I461T418-S464 CarbonylContact O-C 3.53Å; T418-S464 VanDerWaalsContact O-CA 3.23Å; T418-S464 WeakPolarHBondContact O-CA 3.44Å; T460-S464 WeakPolarHBondContact CB-O 3.28Å; I461-S464 WeakPolarHBondContact O-CB 3.47Å; I461-S464 PolarHBondContact O-N 2.99Å
465Y95.2Very high91.3Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-131.1129.4172.7-167.4-102000109.5F417 T418 Y443 Y446 D447 K457 T460 L467F417-Y465 CarbonylContact C-O 3.49Å; F417-Y465 WeakPolarHBondContact CA-O 3.43Å; T418-Y465 PolarHBondContact N-O 2.7Å; T418-Y465 PolarHBondContact O-N 3.22Å; T418-Y465 VanDerWaalsContact OG1-CB 3.28Å; T418-Y465 WeakPolarHBondContact OG1-CB 3.23Å; Y443-Y465 AromaticContact CD1-CD2 3.49Å; Y443-Y465 HydrophobicContact CD1-CD2 3.49Å; Y443-Y465 VanDerWaalsContact CD1-CD2 3.49Å; Y443-Y465 AromaticContact CD1-CE2 3.79Å; Y443-Y465 HydrophobicContact CD1-CE2 3.79Å; Y443-Y465 AromaticContact CE1-CD2 3.59Å; Y443-Y465 HydrophobicContact CE1-CD2 3.59Å; Y443-Y465 HydrophobicContact CE1-CE2 4.32Å; Y443-Y465 HydrophobicContact CE1-CG 4.46Å; Y446-Y465 AromaticContact CD2-CD1 3.86Å; Y446-Y465 HydrophobicContact CD2-CD1 3.86Å; Y446-Y465 HydrophobicContact CD2-CD2 4.26Å; Y446-Y465 HydrophobicContact CD2-CE1 4.04Å; Y446-Y465 HydrophobicContact CD2-CE2 4.4Å; Y446-Y465 AromaticContact CD2-CG 3.97Å; Y446-Y465 HydrophobicContact CD2-CG 3.97Å; Y446-Y465 HydrophobicContact CG-CE1 4.36Å; D447-Y465 WeakPolarHBondContact OD1-CE2 3.34Å; D447-Y465 PolarHBondContact OD1-OH 3.04Å; K457-Y465 HydrophobicContact CD-CE2 4.06Å; K457-Y465 HydrophobicContact CG-CE2 4.08Å; T460-Y465 VanDerWaalsContact CG2-CA 3.45Å; Y465-L467 HydrophobicContact CD1-CD1 4.01Å; Y465-L467 HydrophobicContact CD1-CD2 4.14Å; Y465-L467 HydrophobicContact CD1-CG 3.8Å; Y465-L467 HydrophobicContact CE1-CD1 3.77Å; Y465-L467 HydrophobicContact CE1-CD2 3.37Å; Y465-L467 HydrophobicContact CE1-CG 3.52Å
466M95.9Very high91Very high14 Ų1438.5 Ų38.57%0.06922%0.215CC..EExtended strand (participates in β ladder)trans-122.2125.2-170.2-176.5-176.7171.400109.2I415 C416 F417 I458 T460 L544 V549I415-M466 HydrophobicContact CD1-CE 4.25Å; I415-M466 HydrophobicContact CG2-CE 3.84Å; I415-M466 HydrophobicContact CG2-CG 4.35Å; C416-M466 WeakPolarHBondContact O-CA 3.47Å; F417-M466 HydrophobicContact CD1-CB 4.08Å; F417-M466 HydrophobicContact CD1-CG 4.14Å; F417-M466 HydrophobicContact CE1-CB 3.83Å; F417-M466 HydrophobicContact CE1-CG 3.64Å; F417-M466 HydrophobicContact CE1-SD 3.65Å; F417-M466 HydrophobicContact CE2-CE 4.23Å; F417-M466 HydrophobicContact CE2-CG 4.21Å; F417-M466 HydrophobicContact CE2-SD 4.24Å; F417-M466 HydrophobicContact CZ-CB 4.39Å; F417-M466 HydrophobicContact CZ-CE 3.85Å; F417-M466 HydrophobicContact CZ-CG 3.69Å; F417-M466 HydrophobicContact CZ-SD 3.39Å; F417-M466 WeakPolarHBondContact CZ-SD 3.46Å; I458-M466 HydrophobicContact CB-CB 4.2Å; I458-M466 HydrophobicContact CB-CE 4.3Å; I458-M466 HydrophobicContact CB-CG 3.94Å; I458-M466 HydrophobicContact CB-SD 3.85Å; I458-M466 HydrophobicContact CG1-CE 4.19Å; I458-M466 HydrophobicContact CG1-CG 4.38Å; I458-M466 HydrophobicContact CG1-SD 4.38Å; I458-M466 HydrophobicContact CG2-CE 4.15Å; I458-M466 HydrophobicContact CG2-CG 4.41Å; I458-M466 HydrophobicContact CG2-SD 3.65Å; I458-M466 PolarHBondContact N-O 3.13Å; T460-M466 HydrophobicContact CG2-CB 3.67Å; M466-L544 HydrophobicContact CE-CB 4.36Å; M466-L544 HydrophobicContact CE-CD1 3.63Å; M466-L544 HydrophobicContact CE-CG 4.23Å; M466-V549 HydrophobicContact CE-CG1 3.86Å; M466-V549 HydrophobicContact CE-CG2 4.43Å
467L96.5Very high90.9Very high1 Ų138.1 Ų38.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-125.1149.7-178.9-67.3167.3000109.7I415 C416 T450 V455 Y456 K457 Y465 I482 M485 I489I415-L467 CarbonylContact C-O 3.56Å; I415-L467 WeakPolarHBondContact CA-O 3.4Å; C416-L467 HydrophobicContact CB-CB 4.26Å; C416-L467 PolarHBondContact N-O 3.38Å; C416-L467 PolarHBondContact O-N 2.97Å; T450-L467 HydrophobicContact CG2-CD2 4.12Å; V455-L467 HydrophobicContact CG2-CD2 4.23Å; Y456-L467 WeakPolarHBondContact O-CA 3.44Å; K457-L467 HydrophobicContact CB-CD2 4.35Å; Y465-L467 HydrophobicContact CD1-CD1 4.01Å; Y465-L467 HydrophobicContact CD1-CD2 4.14Å; Y465-L467 HydrophobicContact CD1-CG 3.8Å; Y465-L467 HydrophobicContact CE1-CD1 3.77Å; Y465-L467 HydrophobicContact CE1-CD2 3.37Å; Y465-L467 HydrophobicContact CE1-CG 3.52Å; L467-I482 HydrophobicContact CB-CD1 3.96Å; L467-M485 HydrophobicContact CD1-CE 3.86Å; L467-M485 HydrophobicContact CD1-CG 3.73Å; L467-I489 HydrophobicContact CD1-CD1 3.74Å
468V96.3Very high90.9Very high0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-134.8143.9172.762.60000110.1V413 T414 I415 Y456 I458 A471 L544V413-V468 HydrophobicContact CB-CG2 4.13Å; V413-V468 HydrophobicContact CG2-CG2 4.24Å; T414-V468 WeakPolarHBondContact O-CA 3.48Å; I415-V468 HydrophobicContact CG1-CB 4.41Å; I415-V468 HydrophobicContact CG1-CG2 4.06Å; Y456-V468 HydrophobicContact CD1-CG1 4.31Å; Y456-V468 PolarHBondContact N-O 3.39Å; Y456-V468 PolarHBondContact O-N 2.9Å; I458-V468 HydrophobicContact CD1-CG1 3.81Å; I458-V468 HydrophobicContact CG1-CB 4.43Å; I458-V468 HydrophobicContact CG1-CG1 3.85Å; V468-A471 HydrophobicContact CG2-CB 4.16Å; V468-L544 HydrophobicContact CB-CD1 3.78Å; V468-L544 HydrophobicContact CG1-CD1 3.99Å; V468-L544 HydrophobicContact CG2-CD1 3.85Å
469S95.7Very high91Very high1 Ų135.2 Ų35.21%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-127.1148.5163.9-170.50000109.5V413 T414 N454 A471 H478 I482V413-S469 WeakPolarHBondContact CB-O 3.27Å; T414-S469 PolarHBondContact N-O 3.12Å; T414-S469 PolarHBondContact O-N 3.45Å; N454-S469 PolarHBondContact O-OG 3.45Å; N454-S469 VanDerWaalsContact O-OG 3.09Å; S469-A471 VanDerWaalsContact C-N 3.34Å; S469-H478 WeakPolarHBondContact CB-O 3.49Å; S469-H478 WeakPolarHBondContact OG-CA 3.13Å; S469-I482 VanDerWaalsContact CB-CG1 3.49Å
470G93.3Very high91.3Very high4 Ų430.6 Ų30.64%0.04118%0.18CC..SBendtrans89.1-4.4-167.900000114.2Y410 S473 P474Y410-G470 WeakPolarHBondContact CD1-O 3.47Å; Y410-G470 WeakPolarHBondContact CE1-O 3.43Å; G470-S473 CarbonylContact C-O 3.57Å; G470-S473 WeakPolarHBondContact CA-O 3.4Å; G470-P474 WeakPolarHBondContact O-CA 3.38Å
471A92.8Very high92Very high4 Ų428.8 Ų28.83%0.03317%0.169CC..SBendtrans-142.3142.7168.200000109.2Y410 V413 V468 S469 S473 I530Y410-A471 HydrophobicContact CD1-CB 4.15Å; Y410-A471 HydrophobicContact CD2-CB 4.17Å; Y410-A471 HydrophobicContact CE1-CB 3.94Å; Y410-A471 HydrophobicContact CE2-CB 3.98Å; Y410-A471 HydrophobicContact CG-CB 4.27Å; V413-A471 HydrophobicContact CG1-CB 4.11Å; V468-A471 HydrophobicContact CG2-CB 4.16Å; S469-A471 VanDerWaalsContact C-N 3.34Å; A471-S473 VanDerWaalsContact C-N 3.32Å; A471-I530 HydrophobicContact CB-CD1 4.2Å
472P89.1Confident92.5Very high11 Ų1122.6 Ų22.67%0.07114%0.137CC..SBendcis-73.1-21.32.974.1000113.7P390 Y410 Y542P390-P472 HydrophobicContact CB-CB 4.21Å; P390-P472 HydrophobicContact CB-CG 3.25Å; P390-P472 HydrophobicContact CG-CB 4.45Å; P390-P472 HydrophobicContact CG-CG 3.64Å; Y410-P472 WeakPolarHBondContact CE1-O 3.46Å; Y410-P472 WeakPolarHBondContact OH-CA 3.31Å; Y410-P472 PolarHBondContact OH-O 3.41Å; P472-Y542 WeakPolarHBondContact CA-OH 3.48Å; P472-Y542 WeakPolarHBondContact CB-OH 3.2Å; P472-Y542 HydrophobicContact CG-CE1 4.44Å
473S87.8Confident92.9Very high16 Ų1617 Ų1711%0.11211%0.107CC..SBendtrans-96.5120.5-178.4-45.50000109.2E392 G470 A471 S475 H631E392-S473 WeakPolarHBondContact OE1-CB 3.48Å; E392-S473 PolarHBondContact OE1-OG 3.45Å; G470-S473 CarbonylContact C-O 3.57Å; G470-S473 WeakPolarHBondContact CA-O 3.4Å; A471-S473 VanDerWaalsContact C-N 3.32Å; S473-S475 PolarHBondContact O-N 3.05Å; S473-H631 WeakPolarHBondContact CB-CE1 3.23Å; S473-H631 PolarHBondContact OG-CE1 3.02Å
474P89.5Confident93Very high107 Ų10717.5 Ų17.570%0.69511%0.109SC*.  trans-60.4133.7175.9-21.832.9000111.1Y410 G470Y410-P474 HydrophobicContact CD1-CG 4.41Å; Y410-P474 HydrophobicContact CE1-CG 4.09Å; G470-P474 WeakPolarHBondContact O-CA 3.38Å
475S89.6Confident93.2Very high15 Ų1516.4 Ų16.411%0.10510%0.101CC..  trans-137.2136.1171.8168.70000108.4S473 F477 H478 D627S473-S475 PolarHBondContact O-N 3.05Å; S475-F477 PolarHBondContact O-N 3.05Å; S475-F477 PolarHBondContact OG-N 3.22Å; S475-F477 VanDerWaalsContact OG-N 3.13Å; S475-H478 WeakPolarHBondContact O-CB 3.26Å; S475-H478 PolarHBondContact O-CD2 3.22Å; S475-H478 PolarHBondContact O-N 3.43Å; S475-D627 PolarHBondContact OG-OD2 2.89Å
476S88.4Confident93.2Very high84 Ų8416.4 Ų16.459%0.58710%0.101SC*.THydrogen-bonded Turntrans-71.3-21.8173.553.90000112.2H478 Y577S476-H478 VanDerWaalsContact C-N 3.34Å; S476-Y577 PolarHBondContact O-OH 2.91Å
477F91.2Very high93.1Very high45 Ų4516.7 Ų16.720%0.19710%0.103CC..THydrogen-bonded Turntrans-92.110178.3-61.1-77.5000113.2S475 S479 A480 H481 Y577 L624 D627S475-F477 PolarHBondContact O-N 3.05Å; S475-F477 PolarHBondContact OG-N 3.22Å; S475-F477 VanDerWaalsContact OG-N 3.13Å; F477-S479 PolarHBondContact O-N 3.27Å; F477-S479 VanDerWaalsContact O-N 3.08Å; F477-A480 WeakPolarHBondContact O-CA 3.45Å; F477-A480 WeakPolarHBondContact O-CB 3.46Å; F477-A480 PolarHBondContact O-N 3.13Å; F477-H481 PolarHBondContact O-N 3.46Å; F477-Y577 AromaticContact CD1-CE1 3.98Å; F477-Y577 HydrophobicContact CD1-CE1 3.98Å; F477-Y577 HydrophobicContact CE1-CE1 4.23Å; F477-L624 HydrophobicContact CB-CD2 3.96Å; F477-L624 HydrophobicContact CD1-CD2 4.3Å; F477-L624 HydrophobicContact CG-CD2 4.29Å; F477-D627 HydrophobicContact CD2-CB 3.96Å; F477-D627 HydrophobicContact CE2-CB 4.42Å
478H94Very high93Very high13 Ų1318.6 Ų18.66%0.0611%0.113CC..Hα-helixtrans-49.7-40.1-176.566.6100.1000114.7T414 S469 S475 S476 I482T414-H478 PolarHBondContact N-ND1 3.44Å; T414-H478 PolarHBondContact OG1-CE1 3.46Å; T414-H478 PolarHBondContact OG1-ND1 2.97Å; S469-H478 WeakPolarHBondContact CB-O 3.49Å; S469-H478 WeakPolarHBondContact OG-CA 3.13Å; S475-H478 WeakPolarHBondContact O-CB 3.26Å; S475-H478 PolarHBondContact O-CD2 3.22Å; S475-H478 PolarHBondContact O-N 3.43Å; S476-H478 VanDerWaalsContact C-N 3.34Å; H478-I482 PolarHBondContact O-N 2.81Å
479S94.5Very high92.9Very high2 Ų218.6 Ų18.61%0.01411%0.113CC..Hα-helixtrans-67.1-35.5177.2-61.90000112.4T414 F477 I483 T527 N573T414-S479 WeakPolarHBondContact OG1-CA 3.19Å; T414-S479 PolarHBondContact OG1-OG 3.29Å; T414-S479 VanDerWaalsContact OG1-OG 3.06Å; F477-S479 PolarHBondContact O-N 3.27Å; F477-S479 VanDerWaalsContact O-N 3.08Å; S479-I483 VanDerWaalsContact O-CG1 3.25Å; S479-I483 WeakPolarHBondContact O-CG1 3.28Å; S479-I483 PolarHBondContact O-N 3.22Å; S479-T527 PolarHBondContact OG-OG1 3.08Å; S479-N573 PolarHBondContact OG-ND2 3.29Å
480A92.8Very high92.8Very high0 Ų019.4 Ų19.40%012%0.117CC..Hα-helixtrans-74.7-45.8178.700000112.1F477 I482 I483 E484 Y577 Y579 F620 L624F477-A480 WeakPolarHBondContact O-CA 3.45Å; F477-A480 WeakPolarHBondContact O-CB 3.46Å; F477-A480 PolarHBondContact O-N 3.13Å; A480-I482 VanDerWaalsContact C-N 3.33Å; A480-I482 PolarHBondContact O-N 3.32Å; A480-I483 PolarHBondContact O-N 2.68Å; A480-I483 VanDerWaalsContact O-N 3.12Å; A480-E484 PolarHBondContact O-N 3.44Å; A480-Y577 HydrophobicContact CB-CD2 4.14Å; A480-Y577 HydrophobicContact CB-CE2 4.09Å; A480-Y577 HydrophobicContact CB-CG 4.48Å; A480-Y579 HydrophobicContact CB-CE2 4.25Å; A480-Y579 PolarHBondContact O-OH 2.82Å; A480-F620 HydrophobicContact CB-CE1 4.39Å; A480-F620 HydrophobicContact CB-CE2 4.48Å; A480-F620 HydrophobicContact CB-CZ 3.6Å; A480-L624 HydrophobicContact CB-CD2 3.85Å
481H94.5Very high92.8Very high3 Ų324.9 Ų24.91%0.01414%0.14CC..Hα-helixtrans-55.1-45.7178.4-78.7-42.2000112.7H453 V455 F477 I483 M485 D627H453-H481 WeakPolarHBondContact O-CB 3.46Å; H453-H481 VanDerWaalsContact O-CG 3.26Å; H453-H481 PolarHBondContact O-ND1 3.28Å; V455-H481 HydrophobicContact CG1-CB 4.42Å; F477-H481 PolarHBondContact O-N 3.46Å; H481-I483 PolarHBondContact O-N 3.37Å; H481-M485 WeakPolarHBondContact O-CB 3.26Å; H481-M485 PolarHBondContact O-N 3.45Å; H481-D627 IonicContact CD2-OD2 2.62Å; H481-D627 IonicContact CE1-OD2 3.55Å; H481-D627 IonicContact NE2-OD2 2.9Å; H481-D627 PolarHBondContact NE2-OD2 2.8Å
482I96.1Very high92.8Very high1 Ų126.2 Ų26.21%0.00515%0.148CC..Hα-helixtrans-65.9-37.6177-78.4-67.2000112.9T414 C416 V455 L467 S469 H478 A480 M485 A486 C525T414-I482 HydrophobicContact CG2-CB 3.85Å; T414-I482 HydrophobicContact CG2-CG1 4.15Å; T414-I482 HydrophobicContact CG2-CG2 3.67Å; C416-I482 HydrophobicContact CB-CD1 4.2Å; C416-I482 HydrophobicContact CB-CG2 3.65Å; V455-I482 HydrophobicContact CB-CD1 4.2Å; V455-I482 HydrophobicContact CG1-CD1 3.66Å; V455-I482 HydrophobicContact CG1-CG1 4.26Å; L467-I482 HydrophobicContact CB-CD1 3.96Å; S469-I482 VanDerWaalsContact CB-CG1 3.49Å; H478-I482 PolarHBondContact O-N 2.81Å; A480-I482 VanDerWaalsContact C-N 3.33Å; A480-I482 PolarHBondContact O-N 3.32Å; I482-M485 PolarHBondContact O-N 3.03Å; I482-A486 VanDerWaalsContact O-CB 3.27Å; I482-A486 WeakPolarHBondContact O-CB 3.34Å; I482-A486 PolarHBondContact O-N 3.36Å; I482-C525 HydrophobicContact CG2-CB 4.32Å
483I95.4Very high93Very high0 Ų025.8 Ų25.80%015%0.145CC..Hα-helixtrans-72.4-40.7-179.1-67.7-59.5000111.4S479 A480 H481 M485 A486 L487 C525 V564 I566 L570 L574 Y579 V600S479-I483 VanDerWaalsContact O-CG1 3.25Å; S479-I483 WeakPolarHBondContact O-CG1 3.28Å; S479-I483 PolarHBondContact O-N 3.22Å; A480-I483 PolarHBondContact O-N 2.68Å; A480-I483 VanDerWaalsContact O-N 3.12Å; H481-I483 PolarHBondContact O-N 3.37Å; I483-M485 VanDerWaalsContact C-N 3.34Å; I483-A486 PolarHBondContact O-N 2.82Å; I483-L487 HydrophobicContact CG2-CD1 4.13Å; I483-L487 HydrophobicContact CG2-CG 4.46Å; I483-L487 VanDerWaalsContact O-CG 3.29Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 3.49Å; I483-C525 HydrophobicContact CD1-CB 4.41Å; I483-V564 HydrophobicContact CD1-CG1 4.01Å; I483-I566 HydrophobicContact CD1-CG2 4.08Å; I483-L570 HydrophobicContact CD1-CD2 4.19Å; I483-L574 HydrophobicContact CD1-CD1 4.19Å; I483-L574 HydrophobicContact CG1-CD1 3.83Å; I483-L574 HydrophobicContact CG1-CD2 3.9Å; I483-Y579 HydrophobicContact CB-CE1 4.31Å; I483-Y579 HydrophobicContact CG2-CD1 3.71Å; I483-Y579 HydrophobicContact CG2-CE1 3.52Å; I483-Y579 HydrophobicContact CG2-CE2 4.39Å; I483-Y579 HydrophobicContact CG2-CG 4.23Å; I483-V600 HydrophobicContact CD1-CG2 4.14Å; I483-V600 HydrophobicContact CG2-CG1 3.96Å
484E93.3Very high93.1Very high22 Ų2229.8 Ų29.810%0.10316%0.16CC..Hα-helixtrans-60.6-46.1171.9-68.1-68.3178.700110.3A480 A486 L487 D488 Y579 R603 L624A480-E484 PolarHBondContact O-N 3.44Å; E484-A486 PolarHBondContact O-N 3.49Å; E484-L487 PolarHBondContact O-N 3.4Å; E484-D488 WeakPolarHBondContact O-CB 3.16Å; E484-D488 PolarHBondContact O-N 3.08Å; E484-Y579 WeakPolarHBondContact CG-OH 3.48Å; E484-Y579 PolarHBondContact OE1-OH 2.69Å; E484-R603 WeakPolarHBondContact OE1-CD 3.37Å; E484-R603 IonicContact OE1-CZ 3.24Å; E484-R603 IonicContact OE1-NH1 2.85Å; E484-R603 PolarHBondContact OE1-NH1 2.88Å; E484-L624 HydrophobicContact CG-CD1 3.94Å
485M95Very high93.2Very high1 Ų133.8 Ų33.81%0.00516%0.161CC..Hα-helixtrans-57.6-45.2175-179.565.2174.700112.3Y446 M449 T450 H453 V455 L467 H481 I482 I483 L487 D488 I489Y446-M485 WeakPolarHBondContact O-CE 3.32Å; M449-M485 HydrophobicContact CB-CE 3.87Å; M449-M485 HydrophobicContact CB-SD 3.79Å; T450-M485 HydrophobicContact CG2-CE 4.23Å; H453-M485 HydrophobicContact CB-CB 4.05Å; H453-M485 HydrophobicContact CB-SD 4.26Å; V455-M485 HydrophobicContact CG1-CB 4.16Å; V455-M485 HydrophobicContact CG1-CG 4.4Å; V455-M485 HydrophobicContact CG2-CE 4.25Å; V455-M485 HydrophobicContact CG2-CG 4.02Å; V455-M485 HydrophobicContact CG2-SD 4.16Å; L467-M485 HydrophobicContact CD1-CE 3.86Å; L467-M485 HydrophobicContact CD1-CG 3.73Å; H481-M485 WeakPolarHBondContact O-CB 3.26Å; H481-M485 PolarHBondContact O-N 3.45Å; I482-M485 PolarHBondContact O-N 3.03Å; I483-M485 VanDerWaalsContact C-N 3.34Å; M485-L487 PolarHBondContact O-N 2.9Å; M485-D488 PolarHBondContact O-N 3.36Å; M485-I489 HydrophobicContact CE-CD1 3.85Å; M485-I489 HydrophobicContact CE-CG1 4.05Å; M485-I489 HydrophobicContact CG-CD1 3.96Å; M485-I489 HydrophobicContact CG-CG1 4.46Å; M485-I489 WeakPolarHBondContact O-CB 3.46Å; M485-I489 VanDerWaalsContact O-CG1 3.24Å; M485-I489 WeakPolarHBondContact O-CG1 3.25Å; M485-I489 PolarHBondContact O-N 3.41Å; M485-I489 HydrophobicContact SD-CD1 4.36Å; M485-I489 HydrophobicContact SD-CG1 4.38Å
486A95.6Very high93.2Very high0 Ų037.8 Ų37.80%018%0.178CC..Hα-helixtrans-63.2-40.617900000112.4I482 I483 E484 L490 I523 V564I482-A486 VanDerWaalsContact O-CB 3.27Å; I482-A486 WeakPolarHBondContact O-CB 3.34Å; I482-A486 PolarHBondContact O-N 3.36Å; I483-A486 PolarHBondContact O-N 2.82Å; E484-A486 PolarHBondContact O-N 3.49Å; A486-L490 PolarHBondContact O-N 2.97Å; A486-I523 HydrophobicContact CB-CG2 4.06Å; A486-V564 HydrophobicContact CB-CG1 4.23Å; A486-V564 HydrophobicContact CB-CG2 4.08Å
487L94.1Very high93.2Very high21 Ų2133.9 Ų33.911%0.1115%0.151CC..Hα-helixtrans-68.5-39.4176.6-69.4173.3000111.7I483 E484 M485 L490 K491 V564I483-L487 HydrophobicContact CG2-CD1 4.13Å; I483-L487 HydrophobicContact CG2-CG 4.46Å; I483-L487 VanDerWaalsContact O-CG 3.29Å; I483-L487 WeakPolarHBondContact O-CG 3.42Å; I483-L487 PolarHBondContact O-N 3.49Å; E484-L487 PolarHBondContact O-N 3.4Å; M485-L487 PolarHBondContact O-N 2.9Å; L487-L490 PolarHBondContact O-N 3.15Å; L487-K491 WeakPolarHBondContact O-CG 3.29Å; L487-K491 PolarHBondContact O-N 2.91Å; L487-K491 VanDerWaalsContact O-N 3.12Å; L487-V564 HydrophobicContact CD2-CG2 4.19Å
488D93.5Very high93.1Very high41 Ų4135.2 Ų35.222%0.21916%0.157CC..Hα-helixtrans-72.3-36.6178.5-81.61.4000112.4M449 H453 E484 M485 L490 K491 V492M449-D488 HydrophobicContact SD-CB 4.39Å; H453-D488 IonicContact CE1-OD2 3.3Å; H453-D488 IonicContact NE2-OD2 3.65Å; H453-D488 PolarHBondContact NE2-OD2 3.31Å; E484-D488 WeakPolarHBondContact O-CB 3.16Å; E484-D488 PolarHBondContact O-N 3.08Å; M485-D488 PolarHBondContact O-N 3.36Å; D488-L490 VanDerWaalsContact C-N 3.33Å; D488-L490 PolarHBondContact O-N 3.1Å; D488-K491 PolarHBondContact O-N 3.49Å; D488-K491 IonicContact OD1-NZ 3.52Å; D488-K491 PolarHBondContact OD1-NZ 3.36Å; D488-V492 WeakPolarHBondContact O-CB 3.37Å; D488-V492 WeakPolarHBondContact O-CG2 3.41Å; D488-V492 PolarHBondContact O-N 3.44Å
489I95.1Very high92.8Very high0 Ų035 Ų350%016%0.155CC..Hα-helixtrans-52.7-52.1167.1-74.5166.5000109.9T418 Y446 M449 L467 M485 K491 V492 T493 L521 I523T418-I489 HydrophobicContact CG2-CD1 4.29Å; Y446-I489 HydrophobicContact CD1-CG1 4.07Å; Y446-I489 HydrophobicContact CD1-CG2 4.37Å; Y446-I489 HydrophobicContact CE1-CB 4.47Å; Y446-I489 HydrophobicContact CE1-CG1 4.34Å; Y446-I489 HydrophobicContact CE1-CG2 3.81Å; Y446-I489 HydrophobicContact CE2-CG2 4.3Å; Y446-I489 HydrophobicContact CG-CG1 4.35Å; M449-I489 HydrophobicContact CE-CG1 4.09Å; L467-I489 HydrophobicContact CD1-CD1 3.74Å; M485-I489 HydrophobicContact CE-CD1 3.85Å; M485-I489 HydrophobicContact CE-CG1 4.05Å; M485-I489 HydrophobicContact CG-CD1 3.96Å; M485-I489 HydrophobicContact CG-CG1 4.46Å; M485-I489 WeakPolarHBondContact O-CB 3.46Å; M485-I489 VanDerWaalsContact O-CG1 3.24Å; M485-I489 WeakPolarHBondContact O-CG1 3.25Å; M485-I489 PolarHBondContact O-N 3.41Å; M485-I489 HydrophobicContact SD-CD1 4.36Å; M485-I489 HydrophobicContact SD-CG1 4.38Å; I489-K491 VanDerWaalsContact C-N 3.31Å; I489-K491 PolarHBondContact O-N 3.01Å; I489-V492 PolarHBondContact O-N 3.02Å; I489-T493 VanDerWaalsContact O-CB 3.26Å; I489-T493 WeakPolarHBondContact O-CB 3.32Å; I489-T493 PolarHBondContact O-N 3.27Å; I489-T493 PolarHBondContact O-OG1 3.4Å; I489-L521 HydrophobicContact CG2-CD1 3.55Å; I489-I523 HydrophobicContact CG2-CD1 4.14Å
490L94.3Very high92.2Very high17 Ų1736.4 Ų36.49%0.08916%0.164CC..Hα-helixtrans-58.7-41.3179.3-72.1175.1000112.9A486 L487 D488 K494 L521 I523 D562 V564A486-L490 PolarHBondContact O-N 2.97Å; L487-L490 PolarHBondContact O-N 3.15Å; D488-L490 VanDerWaalsContact C-N 3.33Å; D488-L490 PolarHBondContact O-N 3.1Å; L490-K494 WeakPolarHBondContact O-CB 3.44Å; L490-K494 VanDerWaalsContact O-CG 3.3Å; L490-K494 WeakPolarHBondContact O-CG 3.44Å; L490-K494 PolarHBondContact O-N 3.28Å; L490-K494 VanDerWaalsContact O-N 3.15Å; L490-L521 HydrophobicContact CD2-CB 4.28Å; L490-L521 HydrophobicContact CD2-CD1 4.49Å; L490-I523 HydrophobicContact CD1-CD1 4.12Å; L490-I523 HydrophobicContact CD2-CD1 3.51Å; L490-I523 HydrophobicContact CD2-CG1 4.17Å; L490-I523 HydrophobicContact CG-CD1 3.5Å; L490-I523 VanDerWaalsContact CG-CD1 3.5Å; L490-D562 HydrophobicContact CD2-CB 4.31Å; L490-V564 HydrophobicContact CD1-CG2 3.69Å
491K92.2Very high91.3Very high120 Ų12040.2 Ų40.252%0.52219%0.191SC..Hα-helixtrans-66.2-47.5178.9-68.5171.7-158.5154.60111.7L487 D488 I489 R495L487-K491 WeakPolarHBondContact O-CG 3.29Å; L487-K491 PolarHBondContact O-N 2.91Å; L487-K491 VanDerWaalsContact O-N 3.12Å; D488-K491 PolarHBondContact O-N 3.49Å; D488-K491 IonicContact OD1-NZ 3.52Å; D488-K491 PolarHBondContact OD1-NZ 3.36Å; I489-K491 VanDerWaalsContact C-N 3.31Å; I489-K491 PolarHBondContact O-N 3.01Å; K491-R495 WeakPolarHBondContact O-CB 3.43Å; K491-R495 PolarHBondContact O-N 3Å
492V92.7Very high90.1Very high32 Ų3245.3 Ų45.319%0.19422%0.215CC..Hα-helixtrans-67.4-43.2-177.9169.40000110.4L445 M449 D488 I489 R495 H496L445-V492 HydrophobicContact CB-CG1 4.27Å; L445-V492 HydrophobicContact CD1-CG1 4.2Å; L445-V492 HydrophobicContact CD2-CG1 4.08Å; L445-V492 HydrophobicContact CG-CG1 4.43Å; M449-V492 HydrophobicContact CE-CB 4.27Å; M449-V492 HydrophobicContact CE-CG1 4.35Å; M449-V492 HydrophobicContact CE-CG2 4.26Å; M449-V492 HydrophobicContact SD-CB 4.49Å; M449-V492 HydrophobicContact SD-CG2 3.84Å; D488-V492 WeakPolarHBondContact O-CB 3.37Å; D488-V492 WeakPolarHBondContact O-CG2 3.41Å; D488-V492 PolarHBondContact O-N 3.44Å; I489-V492 PolarHBondContact O-N 3.02Å; V492-R495 PolarHBondContact O-N 3.45Å; V492-H496 WeakPolarHBondContact O-CB 3.29Å; V492-H496 PolarHBondContact O-CD2 3.48Å; V492-H496 PolarHBondContact O-N 3.09Å
493T93.8Very high88.8Confident1 Ų145.3 Ų45.31%0.00622%0.215CC..Hα-helixtrans-60.7-48.8177.9-59.10000111.6Y446 I489 R495 H496 L497 L519 L521Y446-T493 WeakPolarHBondContact CE1-OG1 3.3Å; Y446-T493 PolarHBondContact OH-OG1 3.49Å; I489-T493 VanDerWaalsContact O-CB 3.26Å; I489-T493 WeakPolarHBondContact O-CB 3.32Å; I489-T493 PolarHBondContact O-N 3.27Å; I489-T493 PolarHBondContact O-OG1 3.4Å; T493-R495 PolarHBondContact O-N 3.37Å; T493-H496 PolarHBondContact O-N 3.36Å; T493-L497 HydrophobicContact CG2-CB 4.12Å; T493-L497 HydrophobicContact CG2-CD1 3.97Å; T493-L497 WeakPolarHBondContact O-CB 3.47Å; T493-L497 PolarHBondContact O-N 3.33Å; T493-L519 HydrophobicContact CG2-CB 3.81Å; T493-L519 HydrophobicContact CG2-CD2 3.97Å; T493-L519 HydrophobicContact CG2-CG 4.2Å; T493-L519 VanDerWaalsContact CG2-O 3.3Å; T493-L519 WeakPolarHBondContact CG2-O 3.43Å; T493-L521 HydrophobicContact CG2-CD1 3.89Å; T493-L521 HydrophobicContact CG2-CG 4.04Å
494K90.3Very high87.5Confident100 Ų10048.1 Ų48.144%0.43523%0.23SC..Hα-helixtrans-61.4-28.2177.9-75.6179.9179.1-176.40113.8L490 D562L490-K494 WeakPolarHBondContact O-CB 3.44Å; L490-K494 VanDerWaalsContact O-CG 3.3Å; L490-K494 WeakPolarHBondContact O-CG 3.44Å; L490-K494 PolarHBondContact O-N 3.28Å; L490-K494 VanDerWaalsContact O-N 3.15Å; K494-D562 VanDerWaalsContact CE-CG 3.47Å; K494-D562 WeakPolarHBondContact CE-OD2 3.48Å; K494-D562 IonicContact NZ-OD2 3.94Å
495R90Very high86Confident191 Ų19153 Ų5372%0.72126%0.256SS*.Hα-helixtrans-88.2-33.8-176.7-175.1175.5177.3138.31.1113.3K491 V492 T493 F498K491-R495 WeakPolarHBondContact O-CB 3.43Å; K491-R495 PolarHBondContact O-N 3Å; V492-R495 PolarHBondContact O-N 3.45Å; T493-R495 PolarHBondContact O-N 3.37Å; R495-F498 WeakPolarHBondContact O-CE2 3.42Å
496H89.7Confident84.1Confident100 Ų10057.7 Ų57.746%0.46328%0.281SS..Hα-helixtrans-120.6-18.3-166-66.3-69.1000114.8L445 V492 T493L445-H496 HydrophobicContact CD1-CB 4.12Å; V492-H496 WeakPolarHBondContact O-CB 3.29Å; V492-H496 PolarHBondContact O-CD2 3.48Å; V492-H496 PolarHBondContact O-N 3.09Å; T493-H496 PolarHBondContact O-N 3.36Å
497L90.4Very high82Confident2 Ų265.3 Ų65.31%0.0132%0.322CS..  trans-114118.6-173-64.2174.6000110.7Q441 M442 L445 Y446 T493 L519Q441-L497 HydrophobicContact CB-CD2 4.25Å; M442-L497 HydrophobicContact CB-CD1 3.93Å; M442-L497 HydrophobicContact CG-CD1 3.82Å; L445-L497 HydrophobicContact CD1-CD1 4.2Å; L445-L497 HydrophobicContact CD1-CD2 3.85Å; L445-L497 HydrophobicContact CD1-CG 3.96Å; Y446-L497 HydrophobicContact CE1-CD1 4.42Å; T493-L497 HydrophobicContact CG2-CB 4.12Å; T493-L497 HydrophobicContact CG2-CD1 3.97Å; T493-L497 WeakPolarHBondContact O-CB 3.47Å; T493-L497 PolarHBondContact O-N 3.33Å; L497-L519 HydrophobicContact CB-CB 3.87Å; L497-L519 HydrophobicContact CB-CD2 4.12Å; L497-L519 HydrophobicContact CD1-CD2 4Å; L497-L519 PolarHBondContact O-N 2.92Å
498F89Confident80Confident73 Ų7368.5 Ų68.532%0.3235%0.346SS..BIsolated β-bridgetrans-132.7146.5-178.5-57.9-82.7000110.4R495 N516 I517 P518R495-F498 WeakPolarHBondContact O-CE2 3.42Å; F498-N516 HydrophobicContact CB-CB 3.79Å; F498-N516 HydrophobicContact CD1-CB 3.55Å; F498-N516 WeakPolarHBondContact CD1-O 3.46Å; F498-N516 HydrophobicContact CD2-CB 4.49Å; F498-N516 HydrophobicContact CE1-CB 4.23Å; F498-N516 HydrophobicContact CG-CB 3.69Å; F498-I517 WeakPolarHBondContact CA-O 3.49Å; F498-P518 HydrophobicContact CD1-CB 4.08Å; F498-P518 HydrophobicContact CE1-CB 4.06Å
499W86.6Confident77.8Confident7 Ų772.4 Ų72.43%0.02737%0.371CS..  trans-70.7136.8170.3-69.3109.2000110.1V420 F423 Y426 M430 I438 A503 I517 L519V420-W499 HydrophobicContact CG1-CH2 4Å; V420-W499 HydrophobicContact CG1-CZ2 3.5Å; V420-W499 VanDerWaalsContact CG1-CZ2 3.5Å; F423-W499 AromaticContact CD2-CH2 3.91Å; F423-W499 HydrophobicContact CD2-CH2 3.91Å; F423-W499 HydrophobicContact CE2-CH2 4.44Å; Y426-W499 HydrophobicContact CD1-CD2 4.32Å; Y426-W499 HydrophobicContact CD2-CD2 4.08Å; Y426-W499 AromaticContact CD2-CE2 3.41Å; Y426-W499 VanDerWaalsContact CD2-CE2 3.41Å; Y426-W499 AromaticContact CD2-CH2 3.94Å; Y426-W499 HydrophobicContact CD2-CH2 3.94Å; Y426-W499 AromaticContact CD2-CZ2 3.31Å; Y426-W499 HydrophobicContact CD2-CZ2 3.31Å; Y426-W499 AromaticContact CD2-NE1 3.73Å; Y426-W499 AromaticContact CE2-CE2 3.76Å; Y426-W499 HydrophobicContact CE2-CZ2 4.01Å; Y426-W499 AromaticContact CE2-NE1 3.54Å; Y426-W499 AromaticContact CG-CD2 3.96Å; Y426-W499 HydrophobicContact CG-CD2 3.96Å; Y426-W499 AromaticContact CG-CE2 3.78Å; Y426-W499 HydrophobicContact CG-CE3 4.17Å; Y426-W499 HydrophobicContact CG-CH2 4.05Å; Y426-W499 AromaticContact CG-CZ2 3.81Å; Y426-W499 HydrophobicContact CG-CZ2 3.81Å; Y426-W499 HydrophobicContact CG-CZ3 4.23Å; Y426-W499 AromaticContact CZ-NE1 3.99Å; M430-W499 HydrophobicContact SD-CE3 4.03Å; M430-W499 HydrophobicContact SD-CZ3 4.08Å; I438-W499 HydrophobicContact CD1-CE3 4.37Å; W499-A503 HydrophobicContact CB-CB 4.2Å; W499-A503 HydrophobicContact CE3-CB 4.38Å; W499-I517 PolarHBondContact N-O 3.45Å; W499-L519 HydrophobicContact CD2-CD1 4.17Å; W499-L519 VanDerWaalsContact CE2-CD1 3.41Å; W499-L519 HydrophobicContact CH2-CD1 3.94Å; W499-L519 HydrophobicContact CZ2-CD1 3.31Å
500P82.1Confident75.5Confident32 Ų3276.7 Ų76.721%0.20842%0.415CS..  trans-74.1157.6175.532.7-34.6000110.4M430 I438 E502 A503M430-P500 HydrophobicContact CE-CG 3.25Å; M430-P500 HydrophobicContact SD-CG 3.99Å; I438-P500 HydrophobicContact CD1-CG 3.95Å; P500-E502 WeakPolarHBondContact CB-OE2 3.36Å; P500-E502 PolarHBondContact O-N 3.26Å; P500-E502 VanDerWaalsContact O-N 3.08Å; P500-A503 VanDerWaalsContact O-CB 3.26Å; P500-A503 WeakPolarHBondContact O-CB 3.39Å; P500-A503 PolarHBondContact O-N 2.65Å
501S74.4Confident73.2Confident81 Ų8181.1 Ų81.157%0.56644%0.443SS*.G310 helixtrans-56.1-30.8-171.1-50.10000114A503 L504S501-A503 PolarHBondContact O-N 3.17Å; S501-L504 WeakPolarHBondContact O-CB 3.38Å; S501-L504 PolarHBondContact O-N 3.23Å; S501-L504 VanDerWaalsContact O-N 3.13Å
502E69.4Low70.9Confident110 Ų11084.5 Ų84.551%0.51446%0.461SS..G310 helixtrans-66.5-25.1179.4-53.793.2161.500113.1P500 L504P500-E502 WeakPolarHBondContact CB-OE2 3.36Å; P500-E502 PolarHBondContact O-N 3.26Å; P500-E502 VanDerWaalsContact O-N 3.08Å; E502-L504 PolarHBondContact O-N 2.95Å
503A67.7Low68.7Low0 Ų088.9 Ų88.90%048%0.483CS..G310 helixtrans-69-21.9177.200000112.2Y426 M430 W499 P500 S501Y426-A503 HydrophobicContact CD1-CB 3.85Å; M430-A503 HydrophobicContact CG-CB 4.06Å; M430-A503 HydrophobicContact SD-CB 3.77Å; W499-A503 HydrophobicContact CB-CB 4.2Å; W499-A503 HydrophobicContact CE3-CB 4.38Å; P500-A503 VanDerWaalsContact O-CB 3.26Å; P500-A503 WeakPolarHBondContact O-CB 3.39Å; P500-A503 PolarHBondContact O-N 2.65Å; S501-A503 PolarHBondContact O-N 3.17Å
504L68.5Low66.6Low60 Ų6097.7 Ų97.731%0.31452%0.524SS..G310 helixtrans-94.20.8-170.7-54-175000114.3Y426 S501 E502 D506 I517Y426-L504 HydrophobicContact CE1-CD2 4.32Å; S501-L504 WeakPolarHBondContact O-CB 3.38Å; S501-L504 PolarHBondContact O-N 3.23Å; S501-L504 VanDerWaalsContact O-N 3.13Å; E502-L504 PolarHBondContact O-N 2.95Å; L504-D506 PolarHBondContact O-N 3.05Å; L504-I517 HydrophobicContact CD1-CD1 4.03Å; L504-I517 HydrophobicContact CD1-CG1 3.82Å; L504-I517 HydrophobicContact CD2-CB 4.2Å; L504-I517 HydrophobicContact CD2-CD1 3.26Å; L504-I517 HydrophobicContact CD2-CG1 3.72Å; L504-I517 HydrophobicContact CG-CD1 4.25Å; L504-I517 HydrophobicContact CG-CG1 4.43Å
505L62.4Low64.9Low124 Ų12499.6 Ų99.665%0.64954%0.535SS*.  trans-69.678.1-179.2-139.694.5000110.6
506D55.3Low63.8Low100 Ų10095 Ų9554%0.53553%0.525SS..  trans-78.7125.4153.4-84.4-9000106.7R429 L504 S508R429-D506 IonicContact CZ-OD1 3.97Å; R429-D506 VanDerWaalsContact CZ-OD1 3.26Å; R429-D506 IonicContact NH1-OD1 3Å; R429-D506 PolarHBondContact NH1-OD1 3.24Å; R429-D506 IonicContact NH2-OD1 3.87Å; R429-D506 PolarHBondContact NH2-OD1 3.23Å; L504-D506 PolarHBondContact O-N 3.05Å; D506-S508 PolarHBondContact O-N 3.28Å
507N50.6Low63.4Low159 Ų15993.4 Ų93.485%0.8552%0.518SS*.SBendtrans-64.923-177.8-72.2-16.7000114.3
508S51.8Low63.2Low88 Ų8895.7 Ų95.762%0.61553%0.533SS*.SBendtrans-15275-176.8590000111.3D506D506-S508 PolarHBondContact O-N 3.28Å
509T47.3Very low63.2Low124 Ų12492.3 Ų92.376%0.76152%0.519SS*.  trans165.4111.7137.735.70000109.6T511T509-T511 PolarHBondContact O-N 3.28Å
510G47.2Very low63.5Low89 Ų8995.5 Ų95.592%0.91853%0.534SS*.  trans-78.853.6-178.100000114.2
511T46.2Very low64.1Low110 Ų11094 Ų9468%0.67552%0.524SS*.  trans-109.599.8171.6400000109T509 D513T509-T511 PolarHBondContact O-N 3.28Å; T511-D513 PolarHBondContact O-N 3.41Å
512Q43Very low65.2Low192 Ų19293 Ų9390%0.89751%0.508SS*.  trans-71.563.4173.5-66.1-168-12.800111.4
513D47.1Very low66.6Low123 Ų12387.8 Ų87.866%0.65848%0.484SS*.  trans-87.5108.4156.4-79.5-27.9000106.7T511 Q515T511-D513 PolarHBondContact O-N 3.41Å; D513-Q515 HydrophobicContact CB-CG 4.3Å; D513-Q515 PolarHBondContact O-N 3.4Å
514E49.3Very low68Low186 Ų18687.8 Ų87.887%0.86948%0.484SS*.  trans-6454.1172.2-67.5-174.4150.100111.6N516E514-N516 PolarHBondContact O-N 3.1Å
515Q54.2Low69.4Low141 Ų14184.9 Ų84.966%0.65947%0.469SS*.  trans-84.597.5173.3-72.4178.716.500107.9D513 I517D513-Q515 HydrophobicContact CB-CG 4.3Å; D513-Q515 PolarHBondContact O-N 3.4Å; Q515-I517 PolarHBondContact O-N 2.8Å
516N68.4Low71Confident95 Ų9579.4 Ų79.451%0.50844%0.44SS..  trans-47.2105.2164.2-91.6-8.1000109.6F498 E514 P518F498-N516 HydrophobicContact CB-CB 3.79Å; F498-N516 HydrophobicContact CD1-CB 3.55Å; F498-N516 WeakPolarHBondContact CD1-O 3.46Å; F498-N516 HydrophobicContact CD2-CB 4.49Å; F498-N516 HydrophobicContact CE1-CB 4.23Å; F498-N516 HydrophobicContact CG-CB 3.69Å; E514-N516 PolarHBondContact O-N 3.1Å; N516-P518 WeakPolarHBondContact O-CD 3.45Å
517I79.7Confident73Confident65 Ų6575 Ų7533%0.33342%0.417SS..PPolyproline II helixtrans-71.7120176.9-57.8-167.1000107.7F498 W499 L504 Q515F498-I517 WeakPolarHBondContact CA-O 3.49Å; W499-I517 PolarHBondContact N-O 3.45Å; L504-I517 HydrophobicContact CD1-CD1 4.03Å; L504-I517 HydrophobicContact CD1-CG1 3.82Å; L504-I517 HydrophobicContact CD2-CB 4.2Å; L504-I517 HydrophobicContact CD2-CD1 3.26Å; L504-I517 HydrophobicContact CD2-CG1 3.72Å; L504-I517 HydrophobicContact CG-CD1 4.25Å; L504-I517 HydrophobicContact CG-CG1 4.43Å; Q515-I517 PolarHBondContact O-N 2.8Å
518P86.1Confident75.2Confident50 Ų5067.8 Ų67.833%0.32538%0.38SS..BIsolated β-bridgetrans-64.9144.8179.827-33.8000110.6F498 N516 Q520F498-P518 HydrophobicContact CD1-CB 4.08Å; F498-P518 HydrophobicContact CE1-CB 4.06Å; N516-P518 WeakPolarHBondContact O-CD 3.45Å; P518-Q520 PolarHBondContact O-N 3.03Å
519L90.1Very high77.3Confident2 Ų267.5 Ų67.51%0.0138%0.376CS..PPolyproline II helixtrans-63.6124171.7-168.374.6000108.7V420 M442 T493 L497 W499 L521V420-L519 HydrophobicContact CB-CD1 4.48Å; V420-L519 HydrophobicContact CG1-CD1 3.45Å; V420-L519 VanDerWaalsContact CG1-CD1 3.45Å; V420-L519 HydrophobicContact CG1-CG 4.15Å; V420-L519 HydrophobicContact CG2-CD1 4.2Å; V420-L519 HydrophobicContact CG2-CD2 4.04Å; V420-L519 HydrophobicContact CG2-CG 4.31Å; M442-L519 HydrophobicContact SD-CD2 3.88Å; T493-L519 HydrophobicContact CG2-CB 3.81Å; T493-L519 HydrophobicContact CG2-CD2 3.97Å; T493-L519 HydrophobicContact CG2-CG 4.2Å; T493-L519 VanDerWaalsContact CG2-O 3.3Å; T493-L519 WeakPolarHBondContact CG2-O 3.43Å; L497-L519 HydrophobicContact CB-CB 3.87Å; L497-L519 HydrophobicContact CB-CD2 4.12Å; L497-L519 HydrophobicContact CD1-CD2 4Å; L497-L519 PolarHBondContact O-N 2.92Å; W499-L519 HydrophobicContact CD2-CD1 4.17Å; W499-L519 VanDerWaalsContact CE2-CD1 3.41Å; W499-L519 HydrophobicContact CH2-CD1 3.94Å; W499-L519 HydrophobicContact CZ2-CD1 3.31Å; L519-L521 HydrophobicContact CD2-CD2 4.34Å
520Q93Very high79.6Confident74 Ų7461.9 Ų61.935%0.34634%0.341SS..PPolyproline II helixtrans-100.8147.3176.3-58.8-168.3-7300110.6V421 P518 D562V421-Q520 HydrophobicContact CB-CB 4.02Å; V421-Q520 HydrophobicContact CG2-CB 3.84Å; V421-Q520 PolarHBondContact N-O 3.42Å; P518-Q520 PolarHBondContact O-N 3.03Å; Q520-D562 VanDerWaalsContact CA-OD1 3.32Å; Q520-D562 WeakPolarHBondContact CA-OD1 3.38Å; Q520-D562 PolarHBondContact NE2-OD2 3.01Å; Q520-D562 VanDerWaalsContact NE2-OD2 3.08Å
521L95.1Very high81.9Confident0 Ų060.3 Ų60.30%031%0.313CS..EExtended strand (participates in β ladder)trans-124.4138.8-177.7-59.3175.2000112.4K419 V420 Y446 I489 L490 T493 L519 I523 D562K419-L521 CarbonylContact O-C 3.59Å; K419-L521 WeakPolarHBondContact O-CA 3.49Å; V420-L521 HydrophobicContact CG2-CD2 3.89Å; Y446-L521 WeakPolarHBondContact OH-CD1 3.36Å; I489-L521 HydrophobicContact CG2-CD1 3.55Å; L490-L521 HydrophobicContact CD2-CB 4.28Å; L490-L521 HydrophobicContact CD2-CD1 4.49Å; T493-L521 HydrophobicContact CG2-CD1 3.89Å; T493-L521 HydrophobicContact CG2-CG 4.04Å; L519-L521 HydrophobicContact CD2-CD2 4.34Å; L521-I523 HydrophobicContact CB-CD1 4.49Å; L521-I523 HydrophobicContact CB-CG1 4.06Å; L521-I523 HydrophobicContact CD1-CD1 4.41Å; L521-D562 PolarHBondContact N-OD1 3.09Å; L521-D562 PolarHBondContact O-N 3.06Å
522Y96.9Very high84.2Confident61 Ų6155.1 Ų55.124%0.23928%0.282CS..EExtended strand (participates in β ladder)trans-82.9126.2154.1-66.8-64.1000108.6T418 K419 V421 G559 P561T418-Y522 CarbonylContact C-O 3.56Å; T418-Y522 VanDerWaalsContact CA-O 3.22Å; T418-Y522 WeakPolarHBondContact CA-O 3.47Å; K419-Y522 PolarHBondContact N-O 3.37Å; K419-Y522 PolarHBondContact O-N 3.39Å; V421-Y522 HydrophobicContact CB-CD2 4.37Å; V421-Y522 HydrophobicContact CB-CE2 3.93Å; V421-Y522 HydrophobicContact CG1-CE2 3.81Å; V421-Y522 HydrophobicContact CG2-CD1 4.32Å; V421-Y522 HydrophobicContact CG2-CD2 3.64Å; V421-Y522 HydrophobicContact CG2-CE1 4.22Å; V421-Y522 HydrophobicContact CG2-CE2 3.51Å; V421-Y522 HydrophobicContact CG2-CG 4.03Å; Y522-G559 WeakPolarHBondContact CE1-O 3.44Å; Y522-P561 HydrophobicContact CE1-CG 3.83Å
523I97.4Very high86.5Confident0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-123.2128.2174.7-58-169.7000109.5F417 T418 A486 I489 L490 L521 V564 H565F417-I523 WeakPolarHBondContact O-CA 3.38Å; T418-I523 HydrophobicContact CG2-CD1 4.14Å; T418-I523 HydrophobicContact CG2-CG1 3.97Å; T418-I523 HydrophobicContact CG2-CG2 4.41Å; A486-I523 HydrophobicContact CB-CG2 4.06Å; I489-I523 HydrophobicContact CG2-CD1 4.14Å; L490-I523 HydrophobicContact CD1-CD1 4.12Å; L490-I523 HydrophobicContact CD2-CD1 3.51Å; L490-I523 HydrophobicContact CD2-CG1 4.17Å; L490-I523 HydrophobicContact CG-CD1 3.5Å; L490-I523 VanDerWaalsContact CG-CD1 3.5Å; L521-I523 HydrophobicContact CB-CD1 4.49Å; L521-I523 HydrophobicContact CB-CG1 4.06Å; L521-I523 HydrophobicContact CD1-CD1 4.41Å; I523-V564 HydrophobicContact CB-CG2 4.47Å; I523-V564 HydrophobicContact CG2-CG1 4.18Å; I523-V564 HydrophobicContact CG2-CG2 4.23Å; I523-H565 PolarHBondContact O-N 3.14Å
524G97.2Very high88.6Confident0 Ų041.2 Ų41.20%021%0.214CC..EExtended strand (participates in β ladder)trans-133.3131.2178.400000112.5C416 F417 H565C416-G524 WeakPolarHBondContact CA-O 3.29Å; F417-G524 PolarHBondContact N-O 3.43Å; F417-G524 PolarHBondContact O-N 2.85Å; G524-H565 CarbonylContact C-O 3.58Å; G524-H565 VanDerWaalsContact CA-O 3.25Å; G524-H565 WeakPolarHBondContact CA-O 3.38Å
525C97.8Very high90.5Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-128144.9179.5-44.40000112I415 I482 I483 H565 I566 S567 L570I415-C525 WeakPolarHBondContact O-CA 3.41Å; I482-C525 HydrophobicContact CG2-CB 4.32Å; I483-C525 HydrophobicContact CD1-CB 4.41Å; C525-H565 PolarHBondContact N-O 2.89Å; C525-I566 HydrophobicContact CB-CG2 4.08Å; C525-I566 WeakPolarHBondContact O-CA 3.28Å; C525-S567 PolarHBondContact O-N 3.49Å; C525-L570 HydrophobicContact CB-CD2 3.4Å; C525-L570 VanDerWaalsContact CB-CD2 3.4Å
526H97.5Very high92Very high9 Ų931.3 Ų31.34%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-147.6147.9176.117463.3000110.3T414 I415 T548 T551 A552 M555 S567 D569T414-H526 WeakPolarHBondContact CA-O 3.36Å; I415-H526 PolarHBondContact N-O 3.27Å; I415-H526 PolarHBondContact O-N 2.86Å; H526-T548 PolarHBondContact CD2-O 2.84Å; H526-T551 HydrophobicContact CB-CG2 4.32Å; H526-T551 VanDerWaalsContact CD2-CB 3.49Å; H526-T551 WeakPolarHBondContact CD2-CB 3.44Å; H526-A552 HydrophobicContact CB-CB 3.84Å; H526-M555 HydrophobicContact CB-CG 4.48Å; H526-S567 WeakPolarHBondContact ND1-CB 3.43Å; H526-S567 PolarHBondContact ND1-OG 3.22Å; H526-D569 IonicContact CE1-OD2 2.92Å
527T97Very high92.7Very high7 Ų736.9 Ų36.94%0.04321%0.206CC..EExtended strand (participates in β ladder)trans-113.3134.1176.7-67.30000110.6S412 V413 T414 S479 L570 N573S412-T527 WeakPolarHBondContact OG-CG2 3.48Å; V413-T527 VanDerWaalsContact O-CA 3.23Å; V413-T527 WeakPolarHBondContact O-CA 3.42Å; T414-T527 PolarHBondContact OG1-OG1 3.38Å; S479-T527 PolarHBondContact OG-OG1 3.08Å; T527-L570 VanDerWaalsContact OG1-CD1 3.23Å; T527-L570 WeakPolarHBondContact OG1-CD1 3.26Å; T527-N573 WeakPolarHBondContact CG2-ND2 3.36Å
528G96Very high92.8Very high8 Ų843.5 Ų43.58%0.08223%0.233CC..EExtended strand (participates in β ladder)trans177.1-174.1174.900000113V413 T548V413-G528 WeakPolarHBondContact CG2-O 3.36Å; V413-G528 PolarHBondContact N-O 2.77Å; V413-G528 PolarHBondContact O-N 3.4Å; G528-T548 VanDerWaalsContact C-OG1 3.23Å; G528-T548 VanDerWaalsContact CA-OG1 3.29Å; G528-T548 WeakPolarHBondContact CA-OG1 3.25Å
529P96.7Very high92.7Very high81 Ų8143.9 Ų43.953%0.52624%0.236SC..EExtended strand (participates in β ladder)trans-78.9145.8-176.631.3-35.1000112.8Y410 D411 T548Y410-P529 CarbonylContact O-C 3.56Å; Y410-P529 VanDerWaalsContact O-CA 3.28Å; Y410-P529 WeakPolarHBondContact O-CA 3.42Å; D411-P529 WeakPolarHBondContact O-CA 3.27Å; D411-P529 WeakPolarHBondContact O-CB 3.43Å; P529-T548 PolarHBondContact O-OG1 3.34Å; P529-T548 VanDerWaalsContact O-OG1 3.06Å
530I96.4Very high92.6Very high7 Ų746.5 Ų46.54%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-142165.1175.663.6157.1000112.2Y410 V413 I415 A471 A532 L544 F545 T548Y410-I530 HydrophobicContact CD2-CD1 4.33Å; Y410-I530 HydrophobicContact CD2-CG1 4.21Å; Y410-I530 HydrophobicContact CG-CG1 4.47Å; Y410-I530 PolarHBondContact N-O 3.07Å; Y410-I530 PolarHBondContact O-N 3.24Å; V413-I530 HydrophobicContact CB-CD1 4.36Å; V413-I530 HydrophobicContact CB-CG1 4.34Å; V413-I530 HydrophobicContact CG1-CD1 3.99Å; V413-I530 HydrophobicContact CG1-CG1 3.87Å; V413-I530 HydrophobicContact CG2-CB 4.21Å; V413-I530 HydrophobicContact CG2-CD1 3.65Å; V413-I530 HydrophobicContact CG2-CG1 3.51Å; V413-I530 HydrophobicContact CG2-CG2 3.7Å; I415-I530 HydrophobicContact CD1-CG2 4.08Å; A471-I530 HydrophobicContact CB-CD1 4.2Å; I530-A532 HydrophobicContact CD1-CB 4.23Å; I530-L544 HydrophobicContact CD1-CB 4.26Å; I530-L544 HydrophobicContact CD1-CD1 4.1Å; I530-L544 HydrophobicContact CD1-CD2 3.71Å; I530-L544 HydrophobicContact CD1-CG 4.24Å; I530-F545 WeakPolarHBondContact CA-O 3.21Å; I530-T548 HydrophobicContact CG2-CG2 4.18Å
531V95.2Very high92.4Very high55 Ų5548.2 Ų48.233%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-114.7127.3161.2-179.90000107.9M407 A409 F545M407-V531 HydrophobicContact CG-CG1 3.52Å; M407-V531 HydrophobicContact SD-CG1 3.73Å; A409-V531 HydrophobicContact CB-CG2 4.32Å; V531-F545 PolarHBondContact N-O 2.84Å; V531-F545 PolarHBondContact O-N 2.98Å
532A93.7Very high92.3Very high1 Ų148.6 Ų48.61%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-117.3145.5177.100000110.9M407 K408 Y410 I530 Y542 C543 L544M407-A532 CarbonylContact C-O 3.54Å; M407-A532 WeakPolarHBondContact CA-O 3.4Å; K408-A532 PolarHBondContact N-O 2.56Å; K408-A532 PolarHBondContact O-N 3.3Å; Y410-A532 HydrophobicContact CD2-CB 4.26Å; Y410-A532 HydrophobicContact CE2-CB 3.83Å; I530-A532 HydrophobicContact CD1-CB 4.23Å; A532-Y542 HydrophobicContact CB-CE1 4.11Å; A532-Y542 HydrophobicContact CB-CE2 4.09Å; A532-Y542 WeakPolarHBondContact CB-OH 3.32Å; A532-C543 VanDerWaalsContact CA-O 3.31Å; A532-C543 WeakPolarHBondContact CA-O 3.25Å; A532-L544 HydrophobicContact CB-CD2 3.51Å
533G92Very high92Very high5 Ų547.2 Ų47.25%0.05226%0.257CS..EExtended strand (participates in β ladder)trans-179.4172.8178.600000112.7C543G533-C543 PolarHBondContact N-O 3.29Å; G533-C543 VanDerWaalsContact N-O 3.08Å; G533-C543 PolarHBondContact O-N 3.47Å
534I91.4Very high91.9Very high18 Ų1848 Ų489%0.09226%0.261CS..EExtended strand (participates in β ladder)trans-83.9131.9179.1-55.3173.5000110.8L389 V393 I397 A403 T406 P540 R541L389-I534 HydrophobicContact CD1-CD1 4.35Å; V393-I534 HydrophobicContact CG1-CD1 3.14Å; V393-I534 HydrophobicContact CG1-CG1 3.58Å; I397-I534 HydrophobicContact CD1-CD1 3.12Å; I397-I534 HydrophobicContact CG1-CD1 3.86Å; A403-I534 HydrophobicContact CB-CB 4.3Å; A403-I534 HydrophobicContact CB-CG2 4.45Å; T406-I534 HydrophobicContact CG2-CD1 4.16Å; I534-P540 HydrophobicContact CG2-CB 3.58Å; I534-R541 CarbonylContact C-O 3.51Å; I534-R541 VanDerWaalsContact CA-O 3.29Å; I534-R541 WeakPolarHBondContact CA-O 3.41Å
535V88.7Confident91.7Very high72 Ų7253.1 Ų53.144%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-125.3138.8174.9-176.50000110.5R541 C543 F545V535-R541 PolarHBondContact N-O 3.34Å; V535-R541 PolarHBondContact O-N 3.22Å; V535-C543 HydrophobicContact CG2-CB 4.26Å; V535-F545 HydrophobicContact CG2-CE2 3.7Å; V535-F545 HydrophobicContact CG2-CZ 3.78Å
536G86.7Confident91.5Very high48 Ų4854.8 Ų54.850%0.49530%0.3SS..  trans98.2140.3177.300000113.8P540G536-P540 WeakPolarHBondContact O-CA 3.28Å
537F82Confident91.3Very high211 Ų21158.1 Ų58.193%0.92532%0.319SS*.SBendtrans-92.2-45.4178.2178.2-102.4000112.5
538K82.8Confident91.2Very high205 Ų20558 Ų5889%0.89132%0.318SS*.SBendtrans-79.2-32.9-177-171.9176.6179.7-1790113.2
539S83.5Confident91.1Very high57 Ų5758.7 Ų58.740%0.39932%0.321SS..SBendtrans-136.986.1176.1173.10000106.1R541S539-R541 PolarHBondContact OG-NE 3.47Å
540P87.7Confident91Very high57 Ų5759.7 Ų59.737%0.3732%0.321SS..  trans-68.7130.5179.127.3-32.8000109.9I534 G536I534-P540 HydrophobicContact CG2-CB 3.58Å; G536-P540 WeakPolarHBondContact O-CA 3.28Å
541R88.7Confident90.9Very high111 Ų11159.5 Ų59.542%0.41932%0.32SS..EExtended strand (participates in β ladder)trans-130.3133.5-174.8-63.7164174.6-132.93.2109.8E459 I534 V535 S539 C543E459-R541 VanDerWaalsContact CD-CG 3.47Å; E459-R541 WeakPolarHBondContact OE1-CG 3.24Å; E459-R541 IonicContact OE1-CZ 3.46Å; E459-R541 IonicContact OE1-NE 2.86Å; E459-R541 IonicContact OE1-NH1 3.44Å; E459-R541 WeakPolarHBondContact OE2-CD 3.15Å; E459-R541 VanDerWaalsContact OE2-CG 3.23Å; E459-R541 WeakPolarHBondContact OE2-CG 3.36Å; E459-R541 IonicContact OE2-CZ 3.18Å; E459-R541 IonicContact OE2-NE 2.66Å; E459-R541 PolarHBondContact OE2-NE 2.96Å; E459-R541 VanDerWaalsContact OE2-NE 3.17Å; E459-R541 IonicContact OE2-NH1 3.17Å; E459-R541 PolarHBondContact OE2-NH1 2.87Å; I534-R541 CarbonylContact C-O 3.51Å; I534-R541 VanDerWaalsContact CA-O 3.29Å; I534-R541 WeakPolarHBondContact CA-O 3.41Å; V535-R541 PolarHBondContact N-O 3.34Å; V535-R541 PolarHBondContact O-N 3.22Å; S539-R541 PolarHBondContact OG-NE 3.47Å; R541-C543 PolarHBondContact O-N 3.26Å
542Y92.2Very high90.9Very high8 Ų856.9 Ų56.93%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-77.9107.2170.8-172.2-104.5000109.3P390 V393 Y456 I458 P472 A532 L544P390-Y542 HydrophobicContact CG-CD1 3.93Å; P390-Y542 HydrophobicContact CG-CD2 3.88Å; P390-Y542 HydrophobicContact CG-CE1 4.26Å; P390-Y542 HydrophobicContact CG-CE2 4.22Å; P390-Y542 HydrophobicContact CG-CG 3.71Å; V393-Y542 HydrophobicContact CG2-CD2 4.31Å; V393-Y542 HydrophobicContact CG2-CE2 4.08Å; Y456-Y542 HydrophobicContact CD1-CD1 4.13Å; Y456-Y542 HydrophobicContact CD1-CE1 4.37Å; Y456-Y542 AromaticContact CE1-CD1 3.67Å; Y456-Y542 HydrophobicContact CE1-CD1 3.67Å; Y456-Y542 HydrophobicContact CE1-CE1 4.32Å; Y456-Y542 HydrophobicContact CE1-CG 4.41Å; I458-Y542 HydrophobicContact CD1-CD1 3.83Å; I458-Y542 HydrophobicContact CD1-CE1 4.22Å; P472-Y542 WeakPolarHBondContact CA-OH 3.48Å; P472-Y542 WeakPolarHBondContact CB-OH 3.2Å; P472-Y542 HydrophobicContact CG-CE1 4.44Å; A532-Y542 HydrophobicContact CB-CE1 4.11Å; A532-Y542 HydrophobicContact CB-CE2 4.09Å; A532-Y542 WeakPolarHBondContact CB-OH 3.32Å; Y542-L544 HydrophobicContact CD1-CD2 4.43Å; Y542-L544 HydrophobicContact CE1-CD2 3.89Å
543C92.3Very high91Very high31 Ų3159.7 Ų59.721%0.20932%0.32CS..EExtended strand (participates in β ladder)trans-113.1145.9-171.7-68.70000110.9A532 G533 V535 R541 F545A532-C543 VanDerWaalsContact CA-O 3.31Å; A532-C543 WeakPolarHBondContact CA-O 3.25Å; G533-C543 PolarHBondContact N-O 3.29Å; G533-C543 VanDerWaalsContact N-O 3.08Å; G533-C543 PolarHBondContact O-N 3.47Å; V535-C543 HydrophobicContact CG2-CB 4.26Å; R541-C543 PolarHBondContact O-N 3.26Å; C543-F545 HydrophobicContact CB-CD2 4.42Å; C543-F545 HydrophobicContact CB-CE2 3.56Å; C543-F545 HydrophobicContact CB-CZ 3.77Å
544L94.5Very high91.1Very high16 Ų1663.6 Ų63.68%0.08433%0.333CS..EExtended strand (participates in β ladder)trans-106133.7172.4-47.3-175.5000109.6I415 I458 M466 V468 I530 A532 Y542 V549I415-L544 HydrophobicContact CD1-CD1 3.87Å; I415-L544 HydrophobicContact CG1-CD1 4.26Å; I458-L544 HydrophobicContact CD1-CD1 3.94Å; I458-L544 HydrophobicContact CD1-CD2 3.88Å; I458-L544 HydrophobicContact CD1-CG 3.75Å; I458-L544 HydrophobicContact CG1-CD1 3.83Å; I458-L544 HydrophobicContact CG1-CG 4.06Å; M466-L544 HydrophobicContact CE-CB 4.36Å; M466-L544 HydrophobicContact CE-CD1 3.63Å; M466-L544 HydrophobicContact CE-CG 4.23Å; V468-L544 HydrophobicContact CB-CD1 3.78Å; V468-L544 HydrophobicContact CG1-CD1 3.99Å; V468-L544 HydrophobicContact CG2-CD1 3.85Å; I530-L544 HydrophobicContact CD1-CB 4.26Å; I530-L544 HydrophobicContact CD1-CD1 4.1Å; I530-L544 HydrophobicContact CD1-CD2 3.71Å; I530-L544 HydrophobicContact CD1-CG 4.24Å; A532-L544 HydrophobicContact CB-CD2 3.51Å; Y542-L544 HydrophobicContact CD1-CD2 4.43Å; Y542-L544 HydrophobicContact CE1-CD2 3.89Å; L544-V549 HydrophobicContact CB-CG2 3.9Å
545F93.2Very high91.3Very high108 Ų10862.7 Ų62.747%0.47433%0.328SS..EExtended strand (participates in β ladder)trans-122.8133.7177.4-61.7-82000109.9I530 V531 V535 C543I530-F545 WeakPolarHBondContact CA-O 3.21Å; V531-F545 PolarHBondContact N-O 2.84Å; V531-F545 PolarHBondContact O-N 2.98Å; V535-F545 HydrophobicContact CG2-CE2 3.7Å; V535-F545 HydrophobicContact CG2-CZ 3.78Å; C543-F545 HydrophobicContact CB-CD2 4.42Å; C543-F545 HydrophobicContact CB-CE2 3.56Å; C543-F545 HydrophobicContact CB-CZ 3.77Å
546G92.8Very high91.6Very high35 Ų3559.5 Ų59.536%0.36131%0.309SS..SBendtrans153160.3177.600000112.2T548 V549G546-T548 PolarHBondContact O-N 2.58Å; G546-V549 PolarHBondContact O-N 3.13Å
547D93.6Very high91.9Very high80 Ų8060.1 Ų60.143%0.42831%0.305SS..Hα-helixtrans-61.7-28.517517585.5000112.3V549 N550 T551 K592D547-V549 VanDerWaalsContact C-N 3.26Å; D547-V549 PolarHBondContact O-N 3.29Å; D547-N550 PolarHBondContact O-N 2.99Å; D547-N550 VanDerWaalsContact O-N 3.11Å; D547-T551 PolarHBondContact O-N 3.08Å; D547-T551 PolarHBondContact O-OG1 2.72Å; D547-T551 PolarHBondContact OD2-OG1 2.67Å; D547-K592 WeakPolarHBondContact OD1-CE 3.28Å; D547-K592 IonicContact OD1-NZ 2.81Å; D547-K592 PolarHBondContact OD1-NZ 2.9Å; D547-K592 WeakPolarHBondContact OD2-CE 3.32Å; D547-K592 IonicContact OD2-NZ 3.46Å; D547-K592 PolarHBondContact OD2-NZ 2.84Å
548T95.3Very high92.4Very high4 Ų451.9 Ų51.93%0.02527%0.272CS..Hα-helixtrans-56.9-37.6175.9-60.60000112.7I415 H526 G528 P529 I530 G546 T551 A552I415-T548 HydrophobicContact CD1-CG2 4.11Å; H526-T548 PolarHBondContact CD2-O 2.84Å; G528-T548 VanDerWaalsContact C-OG1 3.23Å; G528-T548 VanDerWaalsContact CA-OG1 3.29Å; G528-T548 WeakPolarHBondContact CA-OG1 3.25Å; P529-T548 PolarHBondContact O-OG1 3.34Å; P529-T548 VanDerWaalsContact O-OG1 3.06Å; I530-T548 HydrophobicContact CG2-CG2 4.18Å; G546-T548 PolarHBondContact O-N 2.58Å; T548-T551 PolarHBondContact O-N 2.89Å; T548-A552 WeakPolarHBondContact O-CB 3.34Å; T548-A552 PolarHBondContact O-N 3.22Å
549V94.8Very high92.8Very high23 Ų2342.5 Ų42.514%0.13923%0.234CC..Hα-helixtrans-63.1-47.1176.5-176.80000110.5I415 F417 M466 L544 G546 D547 A552 N553I415-V549 HydrophobicContact CD1-CB 4.34Å; I415-V549 HydrophobicContact CD1-CG2 3.68Å; F417-V549 HydrophobicContact CE2-CG1 4.11Å; F417-V549 WeakPolarHBondContact CE2-O 3.38Å; F417-V549 HydrophobicContact CZ-CG1 3.85Å; M466-V549 HydrophobicContact CE-CG1 3.86Å; M466-V549 HydrophobicContact CE-CG2 4.43Å; L544-V549 HydrophobicContact CB-CG2 3.9Å; G546-V549 PolarHBondContact O-N 3.13Å; D547-V549 VanDerWaalsContact C-N 3.26Å; D547-V549 PolarHBondContact O-N 3.29Å; V549-A552 PolarHBondContact O-N 3.5Å; V549-N553 PolarHBondContact O-N 3.28Å; V549-N553 VanDerWaalsContact O-N 3.08Å
550N93.4Very high93.4Very high101 Ų10143.8 Ų43.854%0.5424%0.236SC..Hα-helixtrans-64.7-43.5179.5-69.9-39.9000111.3D547 N553 R554D547-N550 PolarHBondContact O-N 2.99Å; D547-N550 VanDerWaalsContact O-N 3.11Å; N550-N553 PolarHBondContact O-N 2.69Å; N550-R554 VanDerWaalsContact O-CG 3.31Å; N550-R554 WeakPolarHBondContact O-CG 3.39Å; N550-R554 PolarHBondContact O-N 2.66Å
551T95Very high93.7Very high3 Ų343.3 Ų43.32%0.01823%0.233CC..Hα-helixtrans-65-41179.2-59.80000111.5H526 D547 T548 N553 R554 M555 K592 M595H526-T551 HydrophobicContact CB-CG2 4.32Å; H526-T551 VanDerWaalsContact CD2-CB 3.49Å; H526-T551 WeakPolarHBondContact CD2-CB 3.44Å; D547-T551 PolarHBondContact O-N 3.08Å; D547-T551 PolarHBondContact O-OG1 2.72Å; D547-T551 PolarHBondContact OD2-OG1 2.67Å; T548-T551 PolarHBondContact O-N 2.89Å; T551-N553 PolarHBondContact O-N 3.42Å; T551-R554 WeakPolarHBondContact O-CB 3.39Å; T551-R554 PolarHBondContact O-N 2.65Å; T551-R554 VanDerWaalsContact O-N 3.14Å; T551-M555 WeakPolarHBondContact O-CG 3.31Å; T551-M555 PolarHBondContact O-N 2.8Å; T551-K592 WeakPolarHBondContact OG1-CE 3.38Å; T551-M595 HydrophobicContact CG2-CE 4.03Å
552A95.7Very high93.9Very high0 Ų039.3 Ų39.30%022%0.22CC..Hα-helixtrans-60.6-45.5174.300000112.1I415 F417 H526 T548 V549 R554 M555 M556I415-A552 HydrophobicContact CB-CB 3.93Å; I415-A552 HydrophobicContact CG2-CB 3.79Å; F417-A552 HydrophobicContact CD2-CB 3.63Å; F417-A552 HydrophobicContact CE2-CB 3.85Å; H526-A552 HydrophobicContact CB-CB 3.84Å; T548-A552 WeakPolarHBondContact O-CB 3.34Å; T548-A552 PolarHBondContact O-N 3.22Å; V549-A552 PolarHBondContact O-N 3.5Å; A552-R554 PolarHBondContact O-N 3.07Å; A552-M555 PolarHBondContact O-N 3.31Å; A552-M556 PolarHBondContact O-N 3.32Å; A552-M556 VanDerWaalsContact O-N 3.11Å
553N94.8Very high94Very high60 Ų6040.2 Ų40.232%0.32123%0.226SC..Hα-helixtrans-60.5-35.8175.1-174.625.1000111.7F417 V549 N550 T551 M556 S557F417-N553 HydrophobicContact CD2-CB 4.01Å; F417-N553 VanDerWaalsContact CD2-N 3.34Å; F417-N553 HydrophobicContact CE2-CB 3.93Å; F417-N553 HydrophobicContact CG-CB 4.32Å; F417-N553 HydrophobicContact CZ-CB 4.19Å; V549-N553 PolarHBondContact O-N 3.28Å; V549-N553 VanDerWaalsContact O-N 3.08Å; N550-N553 PolarHBondContact O-N 2.69Å; T551-N553 PolarHBondContact O-N 3.42Å; N553-M556 PolarHBondContact O-N 3.27Å; N553-M556 VanDerWaalsContact OD1-CE 3.23Å; N553-M556 WeakPolarHBondContact OD1-CE 3.43Å; N553-S557 PolarHBondContact O-N 2.91Å; N553-S557 PolarHBondContact O-OG 3.17Å
554R94.6Very high94.2Very high87 Ų8738.8 Ų38.833%0.32822%0.217SC..Hα-helixtrans-67.5-39.7174.9-67.8-62.5179.4-150.1-10113.1N550 T551 A552 M556 S557 T558 I589N550-R554 VanDerWaalsContact O-CG 3.31Å; N550-R554 WeakPolarHBondContact O-CG 3.39Å; N550-R554 PolarHBondContact O-N 2.66Å; T551-R554 WeakPolarHBondContact O-CB 3.39Å; T551-R554 PolarHBondContact O-N 2.65Å; T551-R554 VanDerWaalsContact O-N 3.14Å; A552-R554 PolarHBondContact O-N 3.07Å; R554-M556 PolarHBondContact O-N 3.18Å; R554-S557 WeakPolarHBondContact CA-OG 3.47Å; R554-S557 PolarHBondContact O-N 3.11Å; R554-S557 PolarHBondContact O-OG 3.33Å; R554-T558 PolarHBondContact O-N 2.96Å; R554-T558 PolarHBondContact O-OG1 3.2Å; R554-I589 HydrophobicContact CB-CG2 3.66Å; R554-I589 HydrophobicContact CG-CG2 3.78Å
555M95.7Very high94.4Very high0 Ų038 Ų380%021%0.213CC..Hα-helixtrans-60.2-37173.2-63.2-59.591.700110.7H526 T551 A552 G559 H565 I589 T597H526-M555 HydrophobicContact CB-CG 4.48Å; T551-M555 WeakPolarHBondContact O-CG 3.31Å; T551-M555 PolarHBondContact O-N 2.8Å; A552-M555 PolarHBondContact O-N 3.31Å; M555-G559 PolarHBondContact O-N 3.32Å; M555-G559 VanDerWaalsContact O-N 3.08Å; M555-H565 PolarHBondContact O-ND1 3.45Å; M555-I589 HydrophobicContact CE-CD1 3.57Å; M555-I589 HydrophobicContact CE-CG1 3.81Å; M555-T597 HydrophobicContact CE-CG2 4.06Å; M555-T597 HydrophobicContact SD-CG2 3.71Å
556M95.1Very high94.6Very high5 Ų532.9 Ų32.93%0.02519%0.19CC..Hα-helixtrans-67.6-49.1176.1175.2-82.5-74.300110.3F417 K419 A552 N553 R554 T558 G559F417-M556 HydrophobicContact CB-CB 3.76Å; F417-M556 HydrophobicContact CB-CE 4.35Å; F417-M556 HydrophobicContact CB-CG 4.09Å; K419-M556 HydrophobicContact CB-CE 3.71Å; K419-M556 HydrophobicContact CB-CG 4.13Å; K419-M556 HydrophobicContact CB-SD 3.37Å; K419-M556 WeakPolarHBondContact CB-SD 3.45Å; K419-M556 HydrophobicContact CD-CE 3.89Å; K419-M556 HydrophobicContact CD-SD 3.92Å; K419-M556 HydrophobicContact CG-CE 4.41Å; K419-M556 HydrophobicContact CG-SD 4.26Å; A552-M556 PolarHBondContact O-N 3.32Å; A552-M556 VanDerWaalsContact O-N 3.11Å; N553-M556 PolarHBondContact O-N 3.27Å; N553-M556 VanDerWaalsContact OD1-CE 3.23Å; N553-M556 WeakPolarHBondContact OD1-CE 3.43Å; R554-M556 PolarHBondContact O-N 3.18Å; M556-T558 VanDerWaalsContact C-N 3.28Å; M556-T558 PolarHBondContact O-N 3.29Å; M556-G559 PolarHBondContact O-N 2.9Å; M556-G559 VanDerWaalsContact O-N 3.13Å
557S92.7Very high94.7Very high61 Ų6131.2 Ų31.243%0.42717%0.173SC..Hα-helixtrans-67.3-23.9-176.867.80000115.1N553 R554N553-S557 PolarHBondContact O-N 2.91Å; N553-S557 PolarHBondContact O-OG 3.17Å; R554-S557 WeakPolarHBondContact CA-OG 3.47Å; R554-S557 PolarHBondContact O-N 3.11Å; R554-S557 PolarHBondContact O-OG 3.33Å
558T92.9Very high94.7Very high37 Ų3728.7 Ų28.723%0.22716%0.161CC..Hα-helixtrans-101.61.6177.758.30000112.3R554 M556 H565 R584 I589R554-T558 PolarHBondContact O-N 2.96Å; R554-T558 PolarHBondContact O-OG1 3.2Å; M556-T558 VanDerWaalsContact C-N 3.28Å; M556-T558 PolarHBondContact O-N 3.29Å; T558-H565 PolarHBondContact OG1-CE1 3.17Å; T558-R584 PolarHBondContact O-NH1 2.74Å; T558-R584 PolarHBondContact O-NH2 3.34Å; T558-I589 HydrophobicContact CG2-CD1 3.79Å
559G91.4Very high94.7Very high8 Ų831.3 Ų31.38%0.08218%0.175CC..SBendtrans-68.8169.4176.100000113.6Y522 M555 M556 H565Y522-G559 WeakPolarHBondContact CE1-O 3.44Å; M555-G559 PolarHBondContact O-N 3.32Å; M555-G559 VanDerWaalsContact O-N 3.08Å; M556-G559 PolarHBondContact O-N 2.9Å; M556-G559 VanDerWaalsContact O-N 3.13Å; G559-H565 WeakPolarHBondContact CA-ND1 3.4Å; G559-H565 PolarHBondContact N-ND1 2.69Å
560L94.3Very high94.7Very high84 Ų8430.2 Ų30.244%0.4417%0.169SC..PPolyproline II helixtrans-100.4153.2169.4-64.9174.3000109.7D562 T563 F599L560-D562 PolarHBondContact O-N 2.83Å; L560-T563 HydrophobicContact CB-CG2 4.21Å; L560-T563 WeakPolarHBondContact CB-OG1 3.11Å; L560-T563 PolarHBondContact N-OG1 3.36Å; L560-T563 PolarHBondContact O-N 3.31Å; L560-T563 PolarHBondContact O-OG1 2.93Å; L560-F599 HydrophobicContact CB-CZ 4.38Å; L560-F599 HydrophobicContact CD1-CE1 4.45Å; L560-F599 HydrophobicContact CD1-CE2 4.06Å; L560-F599 HydrophobicContact CD1-CZ 3.57Å; L560-F599 HydrophobicContact CG-CE1 4.38Å; L560-F599 HydrophobicContact CG-CZ 3.82Å
561P94.4Very high94.7Very high48 Ų4825.4 Ų25.431%0.31214%0.143SC..THydrogen-bonded Turntrans-54136.4175.9-25.836.3000112V421 Y522 T563V421-P561 HydrophobicContact CG1-CG 4.44Å; V421-P561 HydrophobicContact CG2-CB 4.04Å; V421-P561 HydrophobicContact CG2-CG 4.28Å; Y522-P561 HydrophobicContact CE1-CG 3.83Å; P561-T563 PolarHBondContact O-N 3.36Å
562D93.7Very high94.7Very high26 Ų2631.5 Ų31.514%0.13917%0.169CC..THydrogen-bonded Turntrans55.328.8178.9-56.7-35.3000115.2L490 K494 Q520 L521 L560L490-D562 HydrophobicContact CD2-CB 4.31Å; K494-D562 VanDerWaalsContact CE-CG 3.47Å; K494-D562 WeakPolarHBondContact CE-OD2 3.48Å; K494-D562 IonicContact NZ-OD2 3.94Å; Q520-D562 VanDerWaalsContact CA-OD1 3.32Å; Q520-D562 WeakPolarHBondContact CA-OD1 3.38Å; Q520-D562 PolarHBondContact NE2-OD2 3.01Å; Q520-D562 VanDerWaalsContact NE2-OD2 3.08Å; L521-D562 PolarHBondContact N-OD1 3.09Å; L521-D562 PolarHBondContact O-N 3.06Å; L560-D562 PolarHBondContact O-N 2.83Å
563T94.2Very high94.4Very high28 Ų2833.8 Ų33.817%0.17218%0.181CC..EExtended strand (participates in β ladder)trans-124.6144.2173.9660000110.7L560 P561 H565L560-T563 HydrophobicContact CB-CG2 4.21Å; L560-T563 WeakPolarHBondContact CB-OG1 3.11Å; L560-T563 PolarHBondContact N-OG1 3.36Å; L560-T563 PolarHBondContact O-N 3.31Å; L560-T563 PolarHBondContact O-OG1 2.93Å; P561-T563 PolarHBondContact O-N 3.36Å; T563-H565 PolarHBondContact O-N 3.28Å
564V96.6Very high94.2Very high1 Ų131 Ų311%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-89106174.4-1770000108.5I483 A486 L487 L490 I523 I566 F599 V600I483-V564 HydrophobicContact CD1-CG1 4.01Å; A486-V564 HydrophobicContact CB-CG1 4.23Å; A486-V564 HydrophobicContact CB-CG2 4.08Å; L487-V564 HydrophobicContact CD2-CG2 4.19Å; L490-V564 HydrophobicContact CD1-CG2 3.69Å; I523-V564 HydrophobicContact CB-CG2 4.47Å; I523-V564 HydrophobicContact CG2-CG1 4.18Å; I523-V564 HydrophobicContact CG2-CG2 4.23Å; V564-I566 HydrophobicContact CG1-CG2 4.02Å; V564-F599 WeakPolarHBondContact O-CA 3.34Å; V564-V600 HydrophobicContact CB-CB 4.12Å; V564-V600 HydrophobicContact CG1-CB 4.34Å; V564-V600 HydrophobicContact CG1-CG2 4.24Å; V564-V600 PolarHBondContact O-N 2.85Å
565H97.5Very high93.8Very high0 Ų033.2 Ų33.20%018%0.179CC..EExtended strand (participates in β ladder)trans-92.6127.7178.9-171-166000110.7I523 G524 C525 M555 T558 G559 T563 R584 T597 Y598 F599I523-H565 PolarHBondContact O-N 3.14Å; G524-H565 CarbonylContact C-O 3.58Å; G524-H565 VanDerWaalsContact CA-O 3.25Å; G524-H565 WeakPolarHBondContact CA-O 3.38Å; C525-H565 PolarHBondContact N-O 2.89Å; M555-H565 PolarHBondContact O-ND1 3.45Å; T558-H565 PolarHBondContact OG1-CE1 3.17Å; G559-H565 WeakPolarHBondContact CA-ND1 3.4Å; G559-H565 PolarHBondContact N-ND1 2.69Å; T563-H565 PolarHBondContact O-N 3.28Å; H565-R584 WeakPolarHBondContact NE2-CD 3.3Å; H565-T597 WeakPolarHBondContact NE2-CB 3.22Å; H565-T597 PolarHBondContact NE2-OG1 3.01Å; H565-Y598 PolarHBondContact CD2-O 3.35Å; H565-F599 HydrophobicContact CB-CD1 4.09Å; H565-F599 HydrophobicContact CB-CE1 4.03Å
566I97.1Very high93.2Very high0 Ų040.1 Ų40.10%021%0.208CC..EExtended strand (participates in β ladder)trans-128.2151.7-174.967.2167.3000112.7I483 C525 V564 L570 A571 L574 L581 T597 Y598 V600I483-I566 HydrophobicContact CD1-CG2 4.08Å; C525-I566 HydrophobicContact CB-CG2 4.08Å; C525-I566 WeakPolarHBondContact O-CA 3.28Å; V564-I566 HydrophobicContact CG1-CG2 4.02Å; I566-L570 HydrophobicContact CB-CB 4.43Å; I566-L570 HydrophobicContact CB-CD2 3.88Å; I566-L570 HydrophobicContact CB-CG 4.23Å; I566-L570 HydrophobicContact CD1-CG 4.42Å; I566-L570 HydrophobicContact CG2-CD2 3.68Å; I566-L570 HydrophobicContact CG2-CG 4.37Å; I566-A571 HydrophobicContact CD1-CB 3.94Å; I566-L574 HydrophobicContact CD1-CD1 3.66Å; I566-L581 HydrophobicContact CD1-CD2 3.88Å; I566-T597 WeakPolarHBondContact O-CA 3.34Å; I566-T597 WeakPolarHBondContact O-CB 3.43Å; I566-Y598 VanDerWaalsContact CG1-O 3.3Å; I566-Y598 WeakPolarHBondContact CG1-O 3.36Å; I566-Y598 PolarHBondContact N-O 3Å; I566-Y598 PolarHBondContact O-N 2.86Å; I566-V600 HydrophobicContact CD1-CG2 3.81Å; I566-V600 HydrophobicContact CG1-CG2 4.28Å; I566-V600 HydrophobicContact CG2-CG2 3.86Å
567S95.6Very high92.7Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-73.9165172.877.40000112.6C525 H526 D569 L570 A571C525-S567 PolarHBondContact O-N 3.49Å; H526-S567 WeakPolarHBondContact ND1-CB 3.43Å; H526-S567 PolarHBondContact ND1-OG 3.22Å; S567-D569 VanDerWaalsContact C-N 3.26Å; S567-D569 PolarHBondContact O-N 3.49Å; S567-D569 PolarHBondContact OG-N 2.72Å; S567-L570 PolarHBondContact O-N 3.12Å; S567-L570 PolarHBondContact OG-N 2.96Å; S567-A571 WeakPolarHBondContact O-CB 3.24Å; S567-A571 PolarHBondContact O-N 3.2Å
568S94.3Very high92.4Very high26 Ų2638.6 Ų38.618%0.18219%0.194CC..Hα-helixtrans-56.6-37.5170.153.70000113.6A571 K572 T596S568-A571 WeakPolarHBondContact O-CB 3.43Å; S568-A571 PolarHBondContact O-N 2.93Å; S568-K572 WeakPolarHBondContact O-CG 3.3Å; S568-K572 PolarHBondContact O-N 3.03Å; S568-T596 WeakPolarHBondContact CB-O 3.39Å; S568-T596 PolarHBondContact N-O 3.21Å
569D94.8Very high92.2Very high60 Ų6037.5 Ų37.532%0.32119%0.186SC..Hα-helixtrans-70.1-40.1-176.9-51.8-50.9000112.3H526 S567 K572 N573H526-D569 IonicContact CE1-OD2 2.92Å; S567-D569 VanDerWaalsContact C-N 3.26Å; S567-D569 PolarHBondContact O-N 3.49Å; S567-D569 PolarHBondContact OG-N 2.72Å; D569-K572 PolarHBondContact O-N 3.14Å; D569-K572 IonicContact OD1-NZ 3.78Å; D569-N573 PolarHBondContact O-N 3.4Å
570L95.5Very high92.2Very high0 Ų040.6 Ų40.60%020%0.2CC..Hα-helixtrans-66.8-41.4171.2175.654.4000110.6T414 I483 C525 T527 I566 S567 K572 N573 L574T414-L570 HydrophobicContact CG2-CD1 3.94Å; T414-L570 HydrophobicContact CG2-CD2 3.97Å; I483-L570 HydrophobicContact CD1-CD2 4.19Å; C525-L570 HydrophobicContact CB-CD2 3.4Å; C525-L570 VanDerWaalsContact CB-CD2 3.4Å; T527-L570 VanDerWaalsContact OG1-CD1 3.23Å; T527-L570 WeakPolarHBondContact OG1-CD1 3.26Å; I566-L570 HydrophobicContact CB-CB 4.43Å; I566-L570 HydrophobicContact CB-CD2 3.88Å; I566-L570 HydrophobicContact CB-CG 4.23Å; I566-L570 HydrophobicContact CD1-CG 4.42Å; I566-L570 HydrophobicContact CG2-CD2 3.68Å; I566-L570 HydrophobicContact CG2-CG 4.37Å; S567-L570 PolarHBondContact O-N 3.12Å; S567-L570 PolarHBondContact OG-N 2.96Å; L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 3.43Å; L570-N573 PolarHBondContact O-N 2.67Å; L570-N573 VanDerWaalsContact O-N 3.07Å; L570-L574 HydrophobicContact CD1-CD1 3.97Å; L570-L574 HydrophobicContact CD1-CD2 4.1Å; L570-L574 HydrophobicContact CD1-CG 3.79Å; L570-L574 HydrophobicContact CG-CD1 3.9Å; L570-L574 HydrophobicContact CG-CG 4.19Å; L570-L574 VanDerWaalsContact O-CG 3.29Å; L570-L574 WeakPolarHBondContact O-CG 3.47Å; L570-L574 PolarHBondContact O-N 3.1Å
571A93.6Very high92.1Very high0 Ų038.4 Ų38.40%019%0.188CC..Hα-helixtrans-57.2-40.7175.400000112.6I566 S567 S568 N573 L574 F575 L581 Y598I566-A571 HydrophobicContact CD1-CB 3.94Å; S567-A571 WeakPolarHBondContact O-CB 3.24Å; S567-A571 PolarHBondContact O-N 3.2Å; S568-A571 WeakPolarHBondContact O-CB 3.43Å; S568-A571 PolarHBondContact O-N 2.93Å; A571-N573 VanDerWaalsContact C-N 3.35Å; A571-N573 PolarHBondContact O-N 3.13Å; A571-L574 PolarHBondContact O-N 2.57Å; A571-F575 WeakPolarHBondContact O-CD2 3.21Å; A571-F575 PolarHBondContact O-N 2.94Å; A571-F575 VanDerWaalsContact O-N 3.1Å; A571-L581 HydrophobicContact CB-CD1 3.99Å; A571-Y598 HydrophobicContact CB-CD2 3.39Å; A571-Y598 HydrophobicContact CB-CE2 3.73Å; A571-Y598 HydrophobicContact CB-CG 3.92Å
572K93Very high92Very high130 Ų13040.2 Ų40.257%0.56519%0.192SC*.Hα-helixtrans-58.9-43.7174-74171.3-172.8167.80112.3S568 D569 L570 L574S568-K572 WeakPolarHBondContact O-CG 3.3Å; S568-K572 PolarHBondContact O-N 3.03Å; D569-K572 PolarHBondContact O-N 3.14Å; D569-K572 IonicContact OD1-NZ 3.78Å; L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 3.43Å; K572-L574 VanDerWaalsContact C-N 3.33Å
573N90.6Very high92Very high49 Ų4945.5 Ų45.526%0.26221%0.212SC..Hα-helixtrans-68-34.4176.4-80.113.5000112.4S479 T527 D569 L570 A571S479-N573 PolarHBondContact OG-ND2 3.29Å; T527-N573 WeakPolarHBondContact CG2-ND2 3.36Å; D569-N573 PolarHBondContact O-N 3.4Å; L570-N573 PolarHBondContact O-N 2.67Å; L570-N573 VanDerWaalsContact O-N 3.07Å; A571-N573 VanDerWaalsContact C-N 3.35Å; A571-N573 PolarHBondContact O-N 3.13Å
574L91Very high91.8Very high1 Ų147 Ų471%0.00521%0.214CC..Hα-helixtrans-76.6-17.5-179-65.9177.2000114.3I483 I566 L570 A571 K572 K576 Y577 Y579 L581 V600I483-L574 HydrophobicContact CD1-CD1 4.19Å; I483-L574 HydrophobicContact CG1-CD1 3.83Å; I483-L574 HydrophobicContact CG1-CD2 3.9Å; I566-L574 HydrophobicContact CD1-CD1 3.66Å; L570-L574 HydrophobicContact CD1-CD1 3.97Å; L570-L574 HydrophobicContact CD1-CD2 4.1Å; L570-L574 HydrophobicContact CD1-CG 3.79Å; L570-L574 HydrophobicContact CG-CD1 3.9Å; L570-L574 HydrophobicContact CG-CG 4.19Å; L570-L574 VanDerWaalsContact O-CG 3.29Å; L570-L574 WeakPolarHBondContact O-CG 3.47Å; L570-L574 PolarHBondContact O-N 3.1Å; A571-L574 PolarHBondContact O-N 2.57Å; K572-L574 VanDerWaalsContact C-N 3.33Å; L574-K576 PolarHBondContact O-N 2.91Å; L574-K576 VanDerWaalsContact O-N 3.1Å; L574-Y577 HydrophobicContact CD2-CD2 4.09Å; L574-Y577 PolarHBondContact O-N 2.89Å; L574-Y577 VanDerWaalsContact O-O 3.12Å; L574-Y579 HydrophobicContact CB-CD2 4.35Å; L574-Y579 HydrophobicContact CD2-CD2 3.7Å; L574-Y579 HydrophobicContact CD2-CE2 3.84Å; L574-Y579 HydrophobicContact CG-CD2 4.44Å; L574-L581 HydrophobicContact CB-CD1 4.24Å; L574-L581 HydrophobicContact CD1-CD2 4.14Å; L574-V600 HydrophobicContact CD1-CG2 4.34Å
575F86.5Confident91.5Very high134 Ų13447.5 Ų47.559%0.58822%0.219SC*.THydrogen-bonded Turntrans-59.5-21.6175.7-74.5-51.8000113.8A571 Y577 L581A571-F575 WeakPolarHBondContact O-CD2 3.21Å; A571-F575 PolarHBondContact O-N 2.94Å; A571-F575 VanDerWaalsContact O-N 3.1Å; F575-Y577 PolarHBondContact O-N 2.89Å; F575-L581 HydrophobicContact CD1-CD1 4.23Å; F575-L581 HydrophobicContact CE1-CD1 4.02Å
576K82.5Confident91.1Very high144 Ų14452.9 Ų52.963%0.62625%0.245SC*.THydrogen-bonded Turntrans-76-11175.2-58.8-179.9-177.8179.50113.2L574L574-K576 PolarHBondContact O-N 2.91Å; L574-K576 VanDerWaalsContact O-N 3.1Å
577Y85.4Confident90.6Very high30 Ų3055.2 Ų55.212%0.11826%0.256CS..THydrogen-bonded Turntrans-121.5163-170.5-59-49.7000111.1S476 F477 A480 L574 F575 Y579 F620S476-Y577 PolarHBondContact O-OH 2.91Å; F477-Y577 AromaticContact CD1-CE1 3.98Å; F477-Y577 HydrophobicContact CD1-CE1 3.98Å; F477-Y577 HydrophobicContact CE1-CE1 4.23Å; A480-Y577 HydrophobicContact CB-CD2 4.14Å; A480-Y577 HydrophobicContact CB-CE2 4.09Å; A480-Y577 HydrophobicContact CB-CG 4.48Å; L574-Y577 HydrophobicContact CD2-CD2 4.09Å; L574-Y577 PolarHBondContact O-N 2.89Å; L574-Y577 VanDerWaalsContact O-O 3.12Å; F575-Y577 PolarHBondContact O-N 2.89Å; Y577-Y579 HydrophobicContact CD2-CE2 4.34Å; Y577-Y579 HydrophobicContact CG-CE2 4.24Å; Y577-Y579 PolarHBondContact O-N 2.78Å; Y577-F620 HydrophobicContact CD1-CD2 4.21Å; Y577-F620 AromaticContact CD1-CE2 3.23Å; Y577-F620 HydrophobicContact CD1-CE2 3.23Å; Y577-F620 AromaticContact CD1-CZ 3.54Å; Y577-F620 HydrophobicContact CD1-CZ 3.54Å; Y577-F620 AromaticContact CE1-CE2 3.67Å; Y577-F620 HydrophobicContact CE1-CE2 3.67Å; Y577-F620 HydrophobicContact CE1-CZ 4.15Å; Y577-F620 HydrophobicContact CG-CE2 4.02Å; Y577-F620 AromaticContact CG-CZ 3.85Å; Y577-F620 HydrophobicContact CG-CZ 3.85Å
578P84.9Confident90.3Very high4 Ų460.7 Ų60.73%0.02629%0.289CS..THydrogen-bonded Turntrans-79.235.9-172.729.3-32.5000116R603 K604 F607 F620P578-R603 HydrophobicContact CB-CG 4.23Å; P578-R603 HydrophobicContact CG-CG 4.08Å; P578-R603 CarbonylContact O-C 3.46Å; P578-R603 WeakPolarHBondContact O-CA 3.23Å; P578-K604 HydrophobicContact CB-CB 4.43Å; P578-K604 PolarHBondContact O-N 2.97Å; P578-F607 HydrophobicContact CB-CB 3.37Å; P578-F607 HydrophobicContact CB-CD1 3.52Å; P578-F607 HydrophobicContact CB-CD2 3.9Å; P578-F607 HydrophobicContact CB-CE1 4.12Å; P578-F607 HydrophobicContact CB-CE2 4.48Å; P578-F607 HydrophobicContact CB-CG 3.37Å; P578-F607 HydrophobicContact CG-CB 3.93Å; P578-F607 HydrophobicContact CG-CD1 3.44Å; P578-F607 VanDerWaalsContact CG-CD1 3.44Å; P578-F607 HydrophobicContact CG-CE1 3.98Å; P578-F607 HydrophobicContact CG-CG 3.84Å; P578-F620 HydrophobicContact CG-CB 4.35Å; P578-F620 HydrophobicContact CG-CD1 3.63Å; P578-F620 HydrophobicContact CG-CE1 4.1Å; P578-F620 HydrophobicContact CG-CG 4.05Å
579Y89.3Confident89.9Confident14 Ų1459.6 Ų59.66%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-88.3140.7-178.9-61.2-68.7000111.9A480 I483 E484 L574 Y577 L581 V600 R603 F620A480-Y579 HydrophobicContact CB-CE2 4.25Å; A480-Y579 PolarHBondContact O-OH 2.82Å; I483-Y579 HydrophobicContact CB-CE1 4.31Å; I483-Y579 HydrophobicContact CG2-CD1 3.71Å; I483-Y579 HydrophobicContact CG2-CE1 3.52Å; I483-Y579 HydrophobicContact CG2-CE2 4.39Å; I483-Y579 HydrophobicContact CG2-CG 4.23Å; E484-Y579 WeakPolarHBondContact CG-OH 3.48Å; E484-Y579 PolarHBondContact OE1-OH 2.69Å; L574-Y579 HydrophobicContact CB-CD2 4.35Å; L574-Y579 HydrophobicContact CD2-CD2 3.7Å; L574-Y579 HydrophobicContact CD2-CE2 3.84Å; L574-Y579 HydrophobicContact CG-CD2 4.44Å; Y577-Y579 HydrophobicContact CD2-CE2 4.34Å; Y577-Y579 HydrophobicContact CG-CE2 4.24Å; Y577-Y579 PolarHBondContact O-N 2.78Å; Y579-L581 PolarHBondContact O-N 2.93Å; Y579-V600 HydrophobicContact CD1-CG1 4.43Å; Y579-R603 HydrophobicContact CD1-CB 4.25Å; Y579-R603 HydrophobicContact CE1-CB 4.43Å; Y579-F620 HydrophobicContact CE2-CE1 4.31Å; Y579-F620 HydrophobicContact CE2-CZ 4.4Å
580I90.6Very high89.4Confident74 Ų7464.6 Ų64.638%0.37930%0.3SS..EExtended strand (participates in β ladder)trans-90.2106.5175.9-57.1172.2000107.5K601 G602 K604I580-K601 HydrophobicContact CB-CB 4.4Å; I580-K601 HydrophobicContact CG2-CB 4.23Å; I580-K601 PolarHBondContact O-N 3.33Å; I580-G602 PolarHBondContact N-O 3.34Å; I580-K604 HydrophobicContact CD1-CG 4.02Å; I580-K604 HydrophobicContact CG1-CG 3.76Å
581L92.6Very high88.9Confident38 Ų3868.6 Ų68.620%0.19934%0.341CS..EExtended strand (participates in β ladder)trans-99125.5-179.5-52.6-175.5000110.3I566 A571 L574 F575 Y579 Y598 F599 V600I566-L581 HydrophobicContact CD1-CD2 3.88Å; A571-L581 HydrophobicContact CB-CD1 3.99Å; L574-L581 HydrophobicContact CB-CD1 4.24Å; L574-L581 HydrophobicContact CD1-CD2 4.14Å; F575-L581 HydrophobicContact CD1-CD1 4.23Å; F575-L581 HydrophobicContact CE1-CD1 4.02Å; Y579-L581 PolarHBondContact O-N 2.93Å; L581-Y598 HydrophobicContact CB-CD1 4.4Å; L581-F599 CarbonylContact C-O 3.56Å; L581-F599 WeakPolarHBondContact CA-O 3.47Å; L581-V600 HydrophobicContact CD2-CG2 3.86Å
582E93.1Very high88.4Confident85 Ų8573 Ų7340%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-100.5125.1172.4179.4-176.1-138.500109.2R584 Y598 F599 K601E582-R584 PolarHBondContact O-N 3.19Å; E582-Y598 CarbonylContact O-C 3.57Å; E582-Y598 WeakPolarHBondContact O-CA 3.42Å; E582-Y598 WeakPolarHBondContact O-CB 3.44Å; E582-F599 HydrophobicContact CB-CB 4.34Å; E582-F599 PolarHBondContact N-O 3.24Å; E582-F599 PolarHBondContact O-N 2.89Å; E582-K601 HydrophobicContact CB-CG 4.3Å; E582-K601 VanDerWaalsContact CD-CE 3.4Å; E582-K601 IonicContact OE1-NZ 3.59Å; E582-K601 WeakPolarHBondContact OE2-CE 3.46Å; E582-K601 IonicContact OE2-NZ 3.9Å; E582-K601 PolarHBondContact OE2-NZ 3.5Å
583Y93.2Very high88.2Confident138 Ų13868.6 Ų68.654%0.54135%0.352SS..EExtended strand (participates in β ladder)trans-69.8121.8176.6178.5-98.3000110.6G585 T596 Y598Y583-G585 VanDerWaalsContact CZ-CA 3.48Å; Y583-T596 HydrophobicContact CD2-CG2 4.14Å; Y583-T596 HydrophobicContact CE2-CG2 3.4Å; Y583-T596 VanDerWaalsContact CE2-CG2 3.4Å; Y583-Y598 HydrophobicContact CD2-CD1 4.26Å; Y583-Y598 AromaticContact CD2-CE1 3.62Å; Y583-Y598 HydrophobicContact CD2-CE1 3.62Å; Y583-Y598 AromaticContact CD2-CZ 3.84Å; Y583-Y598 HydrophobicContact CG-CE1 4.34Å
584R89.8Confident88.2Confident58 Ų5873.5 Ų73.522%0.21937%0.371CS..EExtended strand (participates in β ladder)trans-90.7-25.2179.4-176.4-177.4174147.1-5.9113T558 H565 E582 Q587 T597 F599T558-R584 PolarHBondContact O-NH1 2.74Å; T558-R584 PolarHBondContact O-NH2 3.34Å; H565-R584 WeakPolarHBondContact NE2-CD 3.3Å; E582-R584 PolarHBondContact O-N 3.19Å; R584-Q587 VanDerWaalsContact NE-CD 3.32Å; R584-T597 WeakPolarHBondContact CB-O 3.27Å; R584-T597 PolarHBondContact N-O 2.98Å; R584-F599 HydrophobicContact CB-CD2 4.14Å; R584-F599 HydrophobicContact CB-CE2 3.98Å; R584-F599 HydrophobicContact CG-CD2 4.32Å; R584-F599 HydrophobicContact CG-CE2 3.66Å; R584-F599 HydrophobicContact CG-CZ 3.97Å; R584-F599 VanDerWaalsContact NH1-CE1 3.25Å
585G90Very high88.1Confident12 Ų1274.7 Ų74.712%0.12438%0.377CS..EExtended strand (participates in β ladder)trans102.5-178.6-171.300000114.2Y583 Q587 T597Y583-G585 VanDerWaalsContact CZ-CA 3.48Å; G585-Q587 PolarHBondContact O-N 2.87Å; G585-T597 PolarHBondContact O-N 3.08Å; G585-T597 PolarHBondContact O-OG1 3.08Å
586E90.1Very high88.5Confident113 Ų11370.2 Ų70.253%0.52836%0.36SS..EExtended strand (participates in β ladder)trans-73.8120.1172.8-67.3-169.7161.400110.4K594 M595E586-K594 HydrophobicContact CB-CB 4.4Å; E586-K594 WeakPolarHBondContact OE2-CD 3.39Å; E586-M595 CarbonylContact C-O 3.58Å; E586-M595 WeakPolarHBondContact CA-O 3.44Å
587Q87.2Confident89Confident50 Ų5063.3 Ų63.323%0.23433%0.331CS..EExtended strand (participates in β ladder)trans-106.1137.7173.8-61.8-65.9-76.500109.1R584 G585 I589 K594 M595 T597R584-Q587 VanDerWaalsContact NE-CD 3.32Å; G585-Q587 PolarHBondContact O-N 2.87Å; Q587-I589 HydrophobicContact CB-CD1 4.09Å; Q587-I589 PolarHBondContact O-N 3.43Å; Q587-K594 WeakPolarHBondContact O-CA 3.41Å; Q587-M595 PolarHBondContact N-O 2.93Å; Q587-M595 PolarHBondContact O-N 2.86Å; Q587-T597 HydrophobicContact CB-CG2 4.49Å; Q587-T597 HydrophobicContact CG-CG2 4.41Å; Q587-T597 WeakPolarHBondContact CG-OG1 3.23Å
588T87.9Confident89.5Confident115 Ų11564.1 Ų64.171%0.70633%0.334SS*.EExtended strand (participates in β ladder)trans-79104.2173.1-530000109.5
589I86.6Confident90Very high2 Ų264.6 Ų64.61%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-97.3124.7-179.9-57.4-57.7000109.6R554 M555 T558 Q587 G591 K592 G593 M595R554-I589 HydrophobicContact CB-CG2 3.66Å; R554-I589 HydrophobicContact CG-CG2 3.78Å; M555-I589 HydrophobicContact CE-CD1 3.57Å; M555-I589 HydrophobicContact CE-CG1 3.81Å; T558-I589 HydrophobicContact CG2-CD1 3.79Å; Q587-I589 HydrophobicContact CB-CD1 4.09Å; Q587-I589 PolarHBondContact O-N 3.43Å; I589-G591 PolarHBondContact O-N 2.77Å; I589-G591 VanDerWaalsContact O-N 3.16Å; I589-K592 HydrophobicContact CB-CB 4.11Å; I589-K592 HydrophobicContact CG2-CB 4.1Å; I589-K592 HydrophobicContact CG2-CG 4.27Å; I589-K592 PolarHBondContact O-N 3.45Å; I589-G593 PolarHBondContact N-O 3.19Å; I589-G593 PolarHBondContact O-N 2.72Å; I589-M595 HydrophobicContact CB-CG 4.38Å; I589-M595 HydrophobicContact CB-SD 3.92Å; I589-M595 HydrophobicContact CG1-CB 4.06Å; I589-M595 HydrophobicContact CG1-CG 4.17Å; I589-M595 HydrophobicContact CG1-SD 3.86Å; I589-M595 HydrophobicContact CG2-SD 4.18Å
590K84.7Confident90.2Very high165 Ų16564.2 Ų64.272%0.71734%0.335SS*.THydrogen-bonded Turntrans-55.9119.8179.5-175.9177.5-179.7176.70110.9K592K590-K592 VanDerWaalsContact C-N 3.34Å
591G84.1Confident90.2Very high84 Ų8466.5 Ų66.587%0.86634%0.342SS*.THydrogen-bonded Turntrans87.4-7.7-179.900000115.3I589I589-G591 PolarHBondContact O-N 2.77Å; I589-G591 VanDerWaalsContact O-N 3.16Å
592K84.4Confident89.9Confident93 Ų9365.4 Ų65.440%0.40434%0.34SS..THydrogen-bonded Turntrans-118.2-20.2179.7-70.7-66-163.7177.20114.2D547 T551 I589 K590 M595D547-K592 WeakPolarHBondContact OD1-CE 3.28Å; D547-K592 IonicContact OD1-NZ 2.81Å; D547-K592 PolarHBondContact OD1-NZ 2.9Å; D547-K592 WeakPolarHBondContact OD2-CE 3.32Å; D547-K592 IonicContact OD2-NZ 3.46Å; D547-K592 PolarHBondContact OD2-NZ 2.84Å; T551-K592 WeakPolarHBondContact OG1-CE 3.38Å; I589-K592 HydrophobicContact CB-CB 4.11Å; I589-K592 HydrophobicContact CG2-CB 4.1Å; I589-K592 HydrophobicContact CG2-CG 4.27Å; I589-K592 PolarHBondContact O-N 3.45Å; K590-K592 VanDerWaalsContact C-N 3.34Å; K592-M595 HydrophobicContact CB-CG 4.06Å; K592-M595 HydrophobicContact CB-SD 3.46Å; K592-M595 WeakPolarHBondContact CB-SD 3.16Å; K592-M595 HydrophobicContact CG-SD 3.78Å
593G88.4Confident89.4Confident38 Ų3863.3 Ų63.339%0.39233%0.328SS..EExtended strand (participates in β ladder)trans85-149.4-174.700000111.6I589I589-G593 PolarHBondContact N-O 3.19Å; I589-G593 PolarHBondContact O-N 2.72Å
594K89.6Confident88.7Confident151 Ų15162.8 Ų62.866%0.65733%0.329SS*.EExtended strand (participates in β ladder)trans-77.8124.6177.9-63.7-170-176.1-178.80109.9E586 Q587E586-K594 HydrophobicContact CB-CB 4.4Å; E586-K594 WeakPolarHBondContact OE2-CD 3.39Å; Q587-K594 WeakPolarHBondContact O-CA 3.41Å
595M90.2Very high87.5Confident27 Ų2767.8 Ų67.813%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-126133.5177.9-67.7-176.66900110.6T551 E586 Q587 I589 K592T551-M595 HydrophobicContact CG2-CE 4.03Å; E586-M595 CarbonylContact C-O 3.58Å; E586-M595 WeakPolarHBondContact CA-O 3.44Å; Q587-M595 PolarHBondContact N-O 2.93Å; Q587-M595 PolarHBondContact O-N 2.86Å; I589-M595 HydrophobicContact CB-CG 4.38Å; I589-M595 HydrophobicContact CB-SD 3.92Å; I589-M595 HydrophobicContact CG1-CB 4.06Å; I589-M595 HydrophobicContact CG1-CG 4.17Å; I589-M595 HydrophobicContact CG1-SD 3.86Å; I589-M595 HydrophobicContact CG2-SD 4.18Å; K592-M595 HydrophobicContact CB-CG 4.06Å; K592-M595 HydrophobicContact CB-SD 3.46Å; K592-M595 WeakPolarHBondContact CB-SD 3.16Å; K592-M595 HydrophobicContact CG-SD 3.78Å
596T93.4Very high86.1Confident39 Ų3975 Ų7524%0.23939%0.39CS..EExtended strand (participates in β ladder)trans-72.6130170.8-59.60000110.3S568 Y583 Y598S568-T596 WeakPolarHBondContact CB-O 3.39Å; S568-T596 PolarHBondContact N-O 3.21Å; Y583-T596 HydrophobicContact CD2-CG2 4.14Å; Y583-T596 HydrophobicContact CE2-CG2 3.4Å; Y583-T596 VanDerWaalsContact CE2-CG2 3.4Å; T596-Y598 HydrophobicContact CG2-CE2 3.85Å
597T94.1Very high84.6Confident0 Ų072.5 Ų72.50%038%0.378CS..EExtended strand (participates in β ladder)trans-134.6162.7-177.763.70000112.1M555 H565 I566 R584 G585 Q587M555-T597 HydrophobicContact CE-CG2 4.06Å; M555-T597 HydrophobicContact SD-CG2 3.71Å; H565-T597 WeakPolarHBondContact NE2-CB 3.22Å; H565-T597 PolarHBondContact NE2-OG1 3.01Å; I566-T597 WeakPolarHBondContact O-CA 3.34Å; I566-T597 WeakPolarHBondContact O-CB 3.43Å; R584-T597 WeakPolarHBondContact CB-O 3.27Å; R584-T597 PolarHBondContact N-O 2.98Å; G585-T597 PolarHBondContact O-N 3.08Å; G585-T597 PolarHBondContact O-OG1 3.08Å; Q587-T597 HydrophobicContact CB-CG2 4.49Å; Q587-T597 HydrophobicContact CG-CG2 4.41Å; Q587-T597 WeakPolarHBondContact CG-OG1 3.23Å
598Y95.6Very high83.1Confident46 Ų4673 Ų7318%0.1838%0.384CS..EExtended strand (participates in β ladder)trans-136.3158.4-176.7-59.5-101.2000110.7H565 I566 A571 L581 E582 Y583 T596H565-Y598 PolarHBondContact CD2-O 3.35Å; I566-Y598 VanDerWaalsContact CG1-O 3.3Å; I566-Y598 WeakPolarHBondContact CG1-O 3.36Å; I566-Y598 PolarHBondContact N-O 3Å; I566-Y598 PolarHBondContact O-N 2.86Å; A571-Y598 HydrophobicContact CB-CD2 3.39Å; A571-Y598 HydrophobicContact CB-CE2 3.73Å; A571-Y598 HydrophobicContact CB-CG 3.92Å; L581-Y598 HydrophobicContact CB-CD1 4.4Å; E582-Y598 CarbonylContact O-C 3.57Å; E582-Y598 WeakPolarHBondContact O-CA 3.42Å; E582-Y598 WeakPolarHBondContact O-CB 3.44Å; Y583-Y598 HydrophobicContact CD2-CD1 4.26Å; Y583-Y598 AromaticContact CD2-CE1 3.62Å; Y583-Y598 HydrophobicContact CD2-CE1 3.62Å; Y583-Y598 AromaticContact CD2-CZ 3.84Å; Y583-Y598 HydrophobicContact CG-CE1 4.34Å; T596-Y598 HydrophobicContact CG2-CE2 3.85Å
599F95.7Very high81.6Confident14 Ų1470.1 Ų70.16%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-106.3146165.6-62.8-62.6000110.7L560 V564 H565 L581 E582 R584L560-F599 HydrophobicContact CB-CZ 4.38Å; L560-F599 HydrophobicContact CD1-CE1 4.45Å; L560-F599 HydrophobicContact CD1-CE2 4.06Å; L560-F599 HydrophobicContact CD1-CZ 3.57Å; L560-F599 HydrophobicContact CG-CE1 4.38Å; L560-F599 HydrophobicContact CG-CZ 3.82Å; V564-F599 WeakPolarHBondContact O-CA 3.34Å; H565-F599 HydrophobicContact CB-CD1 4.09Å; H565-F599 HydrophobicContact CB-CE1 4.03Å; L581-F599 CarbonylContact C-O 3.56Å; L581-F599 WeakPolarHBondContact CA-O 3.47Å; E582-F599 HydrophobicContact CB-CB 4.34Å; E582-F599 PolarHBondContact N-O 3.24Å; E582-F599 PolarHBondContact O-N 2.89Å; R584-F599 HydrophobicContact CB-CD2 4.14Å; R584-F599 HydrophobicContact CB-CE2 3.98Å; R584-F599 HydrophobicContact CG-CD2 4.32Å; R584-F599 HydrophobicContact CG-CE2 3.66Å; R584-F599 HydrophobicContact CG-CZ 3.97Å; R584-F599 VanDerWaalsContact NH1-CE1 3.25Å
600V94Very high80.1Confident7 Ų774.4 Ų74.44%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-94.8116.4168.8-173.40000108.7I483 V564 I566 L574 Y579 L581I483-V600 HydrophobicContact CD1-CG2 4.14Å; I483-V600 HydrophobicContact CG2-CG1 3.96Å; V564-V600 HydrophobicContact CB-CB 4.12Å; V564-V600 HydrophobicContact CG1-CB 4.34Å; V564-V600 HydrophobicContact CG1-CG2 4.24Å; V564-V600 PolarHBondContact O-N 2.85Å; I566-V600 HydrophobicContact CD1-CG2 3.81Å; I566-V600 HydrophobicContact CG1-CG2 4.28Å; I566-V600 HydrophobicContact CG2-CG2 3.86Å; L574-V600 HydrophobicContact CD1-CG2 4.34Å; Y579-V600 HydrophobicContact CD1-CG1 4.43Å; L581-V600 HydrophobicContact CD2-CG2 3.86Å
601K88.9Confident78.6Confident122 Ų12268.7 Ų68.753%0.5337%0.367SS..EExtended strand (participates in β ladder)trans-86.1-22.7178.1-71.2-67.7179.1-1730113.6I580 E582I580-K601 HydrophobicContact CB-CB 4.4Å; I580-K601 HydrophobicContact CG2-CB 4.23Å; I580-K601 PolarHBondContact O-N 3.33Å; E582-K601 HydrophobicContact CB-CG 4.3Å; E582-K601 VanDerWaalsContact CD-CE 3.4Å; E582-K601 IonicContact OE1-NZ 3.59Å; E582-K601 WeakPolarHBondContact OE2-CE 3.46Å; E582-K601 IonicContact OE2-NZ 3.9Å; E582-K601 PolarHBondContact OE2-NZ 3.5Å
602G87.1Confident77.3Confident15 Ų1571.5 Ų71.516%0.15537%0.368CS..EExtended strand (participates in β ladder)trans150.3-156.2-175.700000110.6I580I580-G602 PolarHBondContact N-O 3.34Å
603R82.2Confident76Confident40 Ų4072.9 Ų72.915%0.15138%0.384CS..EExtended strand (participates in β ladder)trans-127.3145.4-173.7173176165.3179.3-1.7110.6E484 P578 Y579 F620 R621E484-R603 WeakPolarHBondContact OE1-CD 3.37Å; E484-R603 IonicContact OE1-CZ 3.24Å; E484-R603 IonicContact OE1-NH1 2.85Å; E484-R603 PolarHBondContact OE1-NH1 2.88Å; P578-R603 HydrophobicContact CB-CG 4.23Å; P578-R603 HydrophobicContact CG-CG 4.08Å; P578-R603 CarbonylContact O-C 3.46Å; P578-R603 WeakPolarHBondContact O-CA 3.23Å; Y579-R603 HydrophobicContact CD1-CB 4.25Å; Y579-R603 HydrophobicContact CE1-CB 4.43Å; R603-F620 VanDerWaalsContact CZ-CD1 3.48Å; R603-R621 VanDerWaalsContact NH1-CG 3.31Å
604K78.1Confident74.5Confident127 Ų12775.1 Ų75.155%0.55239%0.39SS*.  trans-74.9122.7168.7-61.8-179.4-178.4177.70109.1P578 I580 N606P578-K604 HydrophobicContact CB-CB 4.43Å; P578-K604 PolarHBondContact O-N 2.97Å; I580-K604 HydrophobicContact CD1-CG 4.02Å; I580-K604 HydrophobicContact CG1-CG 3.76Å; K604-N606 VanDerWaalsContact C-N 3.33Å; K604-N606 PolarHBondContact O-N 3.35Å
605E65.7Low72.9Confident164 Ų16470.8 Ų70.877%0.76639%0.388SS*.SBendtrans-67.9-31.7-176.9-64.3-166150.400112.9F607E605-F607 PolarHBondContact O-N 3.41Å
606N60.2Low71.5Confident163 Ų16375.5 Ų75.587%0.87241%0.41SS*.SBendtrans-96.649.5-172.6-59.6-4.4000113.3K604K604-N606 VanDerWaalsContact C-N 3.33Å; K604-N606 PolarHBondContact O-N 3.35Å
607F59.2Low69.7Low60 Ų6080.2 Ų80.226%0.26343%0.43SS..  trans-114.1122.6179.2-175.7-99.7000113P578 E605 M609 F620P578-F607 HydrophobicContact CB-CB 3.37Å; P578-F607 HydrophobicContact CB-CD1 3.52Å; P578-F607 HydrophobicContact CB-CD2 3.9Å; P578-F607 HydrophobicContact CB-CE1 4.12Å; P578-F607 HydrophobicContact CB-CE2 4.48Å; P578-F607 HydrophobicContact CB-CG 3.37Å; P578-F607 HydrophobicContact CG-CB 3.93Å; P578-F607 HydrophobicContact CG-CD1 3.44Å; P578-F607 VanDerWaalsContact CG-CD1 3.44Å; P578-F607 HydrophobicContact CG-CE1 3.98Å; P578-F607 HydrophobicContact CG-CG 3.84Å; E605-F607 PolarHBondContact O-N 3.41Å; F607-M609 HydrophobicContact CD1-CG 4.12Å; F607-M609 HydrophobicContact CE1-CG 3.34Å; F607-M609 HydrophobicContact CE1-SD 4.1Å; F607-M609 HydrophobicContact CZ-CG 4.03Å; F607-F620 HydrophobicContact CD1-CB 4.21Å
608T56Low68.1Low60 Ų6082.1 Ų82.137%0.36844%0.439SS..EExtended strand (participates in β ladder)trans-108.5139.6169.544.70000109.4E617 L618T608-E617 WeakPolarHBondContact CB-OE2 3.46Å; T608-E617 HydrophobicContact CG2-CB 4.21Å; T608-E617 PolarHBondContact OG1-OE2 2.86Å; T608-L618 WeakPolarHBondContact CA-O 3.5Å
609M56.4Low67Low56 Ų5683.2 Ų83.228%0.27645%0.449SS..EExtended strand (participates in β ladder)trans-99.8132.7169.2-72.8-137.272.700108.8F607 L618 F620 L623F607-M609 HydrophobicContact CD1-CG 4.12Å; F607-M609 HydrophobicContact CE1-CG 3.34Å; F607-M609 HydrophobicContact CE1-SD 4.1Å; F607-M609 HydrophobicContact CZ-CG 4.03Å; M609-L618 PolarHBondContact N-O 3.31Å; M609-L618 PolarHBondContact O-N 3.32Å; M609-F620 HydrophobicContact CG-CD2 4.47Å; M609-F620 HydrophobicContact SD-CD2 4.46Å; M609-L623 HydrophobicContact CB-CD1 3.95Å; M609-L623 HydrophobicContact CG-CD1 4.27Å
610T55.3Low66Low91 Ų9182.6 Ų82.656%0.55845%0.446SS*.EExtended strand (participates in β ladder)trans-82121170.951.10000109.5T612 E616 E617T610-T612 PolarHBondContact O-N 2.97Å; T610-E616 WeakPolarHBondContact CA-O 3.38Å; T610-E617 HydrophobicContact CG2-CG 4.15Å
611D52.7Low65.1Low45 Ų4589.5 Ų89.524%0.24147%0.471CS..PPolyproline II helixtrans-64.3122.5169.2178.9-3.1000109.6T613 T614 G615 E616 L618D611-T613 VanDerWaalsContact CG-OG1 3.31Å; D611-T613 PolarHBondContact O-N 3.27Å; D611-T613 PolarHBondContact OD1-N 3.19Å; D611-T613 PolarHBondContact OD1-OG1 3.36Å; D611-T613 PolarHBondContact OD2-OG1 3.13Å; D611-T614 VanDerWaalsContact CB-OG1 3.28Å; D611-T614 WeakPolarHBondContact CB-OG1 3.46Å; D611-T614 WeakPolarHBondContact OD2-CG2 3.33Å; D611-T614 PolarHBondContact OD2-OG1 3.2Å; D611-G615 VanDerWaalsContact O-CA 3.29Å; D611-G615 WeakPolarHBondContact O-CA 3.38Å; D611-G615 PolarHBondContact O-N 3.2Å; D611-E616 PolarHBondContact N-O 3.15Å; D611-L618 HydrophobicContact CB-CD1 3.89Å
612T56.7Low64.6Low143 Ų14390 Ų9088%0.87747%0.473SS*.THydrogen-bonded Turntrans-65.3-17.3179440000113.8T610T610-T612 PolarHBondContact O-N 2.97Å
613T56Low64.3Low122 Ų12290.6 Ų90.675%0.74847%0.472SS*.THydrogen-bonded Turntrans-99.4-36.3-17760.50000113.9D611D611-T613 VanDerWaalsContact CG-OG1 3.31Å; D611-T613 PolarHBondContact O-N 3.27Å; D611-T613 PolarHBondContact OD1-N 3.19Å; D611-T613 PolarHBondContact OD1-OG1 3.36Å; D611-T613 PolarHBondContact OD2-OG1 3.13Å
614T58.1Low64.2Low85 Ų8589.2 Ų89.252%0.52147%0.468SS..THydrogen-bonded Turntrans-107-17.2-179.560.90000114D611 E616D611-T614 VanDerWaalsContact CB-OG1 3.28Å; D611-T614 WeakPolarHBondContact CB-OG1 3.46Å; D611-T614 WeakPolarHBondContact OD2-CG2 3.33Å; D611-T614 PolarHBondContact OD2-OG1 3.2Å; T614-E616 PolarHBondContact O-N 3.24Å
615G55.6Low64.5Low60 Ų6089.5 Ų89.562%0.61947%0.469SS*.  trans74.53.5-175.600000114.6D611D611-G615 VanDerWaalsContact O-CA 3.29Å; D611-G615 WeakPolarHBondContact O-CA 3.38Å; D611-G615 PolarHBondContact O-N 3.2Å
616E60.4Low65.3Low127 Ų12785.7 Ų85.759%0.59345%0.452SS*.  trans-78.7142.8-179-66.2-169.3164.100112.7T610 D611 T614 L618T610-E616 WeakPolarHBondContact CA-O 3.38Å; D611-E616 PolarHBondContact N-O 3.15Å; T614-E616 PolarHBondContact O-N 3.24Å; E616-L618 PolarHBondContact O-N 2.86Å
617E55.6Low66.3Low138 Ų13879.3 Ų79.365%0.64542%0.417SS*.EExtended strand (participates in β ladder)trans-79.4103.4171.2-83.5-168.2-160.200111T608 T610T608-E617 WeakPolarHBondContact CB-OE2 3.46Å; T608-E617 HydrophobicContact CG2-CB 4.21Å; T608-E617 PolarHBondContact OG1-OE2 2.86Å; T610-E617 HydrophobicContact CG2-CG 4.15Å
618L61.7Low67.4Low39 Ų3977.8 Ų77.820%0.20441%0.412CS..EExtended strand (participates in β ladder)trans-94.6133.3179.3-66.4166.8000111.2T608 M609 D611 E616 F620 L623T608-L618 WeakPolarHBondContact CA-O 3.5Å; M609-L618 PolarHBondContact N-O 3.31Å; M609-L618 PolarHBondContact O-N 3.32Å; D611-L618 HydrophobicContact CB-CD1 3.89Å; E616-L618 PolarHBondContact O-N 2.86Å; L618-F620 PolarHBondContact O-N 3.42Å; L618-L623 HydrophobicContact CB-CD1 4.08Å; L618-L623 HydrophobicContact CB-CD2 4.09Å; L618-L623 HydrophobicContact CB-CG 4Å; L618-L623 HydrophobicContact CD1-CD2 3.74Å; L618-L623 HydrophobicContact CG-CD2 4.47Å
619N71.1Confident68.7Low70 Ų7080.1 Ų80.137%0.37442%0.419SS..EExtended strand (participates in β ladder)trans-70.3124.4173.4-173.7-48.4000109.5R621 K622 L623N619-R621 PolarHBondContact O-N 3.21Å; N619-R621 PolarHBondContact OD1-N 2.86Å; N619-K622 HydrophobicContact CB-CB 4.49Å; N619-K622 HydrophobicContact CB-CD 4.31Å; N619-K622 HydrophobicContact CB-CG 4.2Å; N619-K622 WeakPolarHBondContact O-CA 3.29Å; N619-K622 WeakPolarHBondContact O-CB 3.38Å; N619-K622 PolarHBondContact O-N 3.19Å; N619-L623 PolarHBondContact O-N 2.84Å
620F75.3Confident69.7Low0 Ų081.3 Ų81.30%043%0.426CS..Hα-helixtrans-57.8-27.2-176.5-178.3-109.5000114.4A480 Y577 P578 Y579 R603 F607 M609 L618 L624A480-F620 HydrophobicContact CB-CE1 4.39Å; A480-F620 HydrophobicContact CB-CE2 4.48Å; A480-F620 HydrophobicContact CB-CZ 3.6Å; Y577-F620 HydrophobicContact CD1-CD2 4.21Å; Y577-F620 AromaticContact CD1-CE2 3.23Å; Y577-F620 HydrophobicContact CD1-CE2 3.23Å; Y577-F620 AromaticContact CD1-CZ 3.54Å; Y577-F620 HydrophobicContact CD1-CZ 3.54Å; Y577-F620 AromaticContact CE1-CE2 3.67Å; Y577-F620 HydrophobicContact CE1-CE2 3.67Å; Y577-F620 HydrophobicContact CE1-CZ 4.15Å; Y577-F620 HydrophobicContact CG-CE2 4.02Å; Y577-F620 AromaticContact CG-CZ 3.85Å; Y577-F620 HydrophobicContact CG-CZ 3.85Å; P578-F620 HydrophobicContact CG-CB 4.35Å; P578-F620 HydrophobicContact CG-CD1 3.63Å; P578-F620 HydrophobicContact CG-CE1 4.1Å; P578-F620 HydrophobicContact CG-CG 4.05Å; Y579-F620 HydrophobicContact CE2-CE1 4.31Å; Y579-F620 HydrophobicContact CE2-CZ 4.4Å; R603-F620 VanDerWaalsContact CZ-CD1 3.48Å; F607-F620 HydrophobicContact CD1-CB 4.21Å; M609-F620 HydrophobicContact CG-CD2 4.47Å; M609-F620 HydrophobicContact SD-CD2 4.46Å; L618-F620 PolarHBondContact O-N 3.42Å; F620-L624 HydrophobicContact CD1-CD1 4.23Å; F620-L624 HydrophobicContact CE1-CD1 3.72Å; F620-L624 HydrophobicContact CE1-CG 4.28Å; F620-L624 HydrophobicContact CE2-CD2 4.44Å; F620-L624 HydrophobicContact CE2-CG 4.46Å; F620-L624 HydrophobicContact CZ-CD1 4.03Å; F620-L624 HydrophobicContact CZ-CD2 4.19Å; F620-L624 HydrophobicContact CZ-CG 4.2Å; F620-L624 WeakPolarHBondContact O-CG 3.48Å; F620-L624 PolarHBondContact O-N 3.36Å
621R75.6Confident70.6Confident153 Ų15378.4 Ų78.458%0.57741%0.406SS*.Hα-helixtrans-68-35.4171.8-76.5-169.6178.3151.42.2112.7R603 N619 K625R603-R621 VanDerWaalsContact NH1-CG 3.31Å; N619-R621 PolarHBondContact O-N 3.21Å; N619-R621 PolarHBondContact OD1-N 2.86Å; R621-K625 WeakPolarHBondContact O-CG 3.42Å; R621-K625 PolarHBondContact O-N 3.48Å
622K78.6Confident71.5Confident132 Ų13279.2 Ų79.257%0.57442%0.415SS*.Hα-helixtrans-68.6-43.4177.1-68.3-175.4177.2-176.70110.2N619 L624 K625 E626N619-K622 HydrophobicContact CB-CB 4.49Å; N619-K622 HydrophobicContact CB-CD 4.31Å; N619-K622 HydrophobicContact CB-CG 4.2Å; N619-K622 WeakPolarHBondContact O-CA 3.29Å; N619-K622 WeakPolarHBondContact O-CB 3.38Å; N619-K622 PolarHBondContact O-N 3.19Å; K622-L624 PolarHBondContact O-N 3.35Å; K622-K625 CarbonylContact O-C 3.6Å; K622-K625 WeakPolarHBondContact O-CB 3.29Å; K622-K625 PolarHBondContact O-N 3.32Å; K622-K625 VanDerWaalsContact O-N 3.09Å; K622-E626 WeakPolarHBondContact O-CB 3.45Å; K622-E626 WeakPolarHBondContact O-CG 3.32Å; K622-E626 PolarHBondContact O-N 2.94Å
623L78.9Confident72.3Confident27 Ų2779.5 Ų79.514%0.14140%0.4CS..Hα-helixtrans-56.1-46.2175.4-72.1175.2000113M609 L618 N619 K625 E626 D627M609-L623 HydrophobicContact CB-CD1 3.95Å; M609-L623 HydrophobicContact CG-CD1 4.27Å; L618-L623 HydrophobicContact CB-CD1 4.08Å; L618-L623 HydrophobicContact CB-CD2 4.09Å; L618-L623 HydrophobicContact CB-CG 4Å; L618-L623 HydrophobicContact CD1-CD2 3.74Å; L618-L623 HydrophobicContact CG-CD2 4.47Å; N619-L623 PolarHBondContact O-N 2.84Å; L623-K625 VanDerWaalsContact C-N 3.34Å; L623-K625 PolarHBondContact O-N 3.09Å; L623-E626 PolarHBondContact O-N 2.6Å; L623-D627 PolarHBondContact O-N 2.79Å
624L81.9Confident72.9Confident12 Ų1279.4 Ų79.46%0.06339%0.391CS..Hα-helixtrans-64.6-39176.8-67.4176.9000112.1F477 A480 E484 F620 K622 D627 I628F477-L624 HydrophobicContact CB-CD2 3.96Å; F477-L624 HydrophobicContact CD1-CD2 4.3Å; F477-L624 HydrophobicContact CG-CD2 4.29Å; A480-L624 HydrophobicContact CB-CD2 3.85Å; E484-L624 HydrophobicContact CG-CD1 3.94Å; F620-L624 HydrophobicContact CD1-CD1 4.23Å; F620-L624 HydrophobicContact CE1-CD1 3.72Å; F620-L624 HydrophobicContact CE1-CG 4.28Å; F620-L624 HydrophobicContact CE2-CD2 4.44Å; F620-L624 HydrophobicContact CE2-CG 4.46Å; F620-L624 HydrophobicContact CZ-CD1 4.03Å; F620-L624 HydrophobicContact CZ-CD2 4.19Å; F620-L624 HydrophobicContact CZ-CG 4.2Å; F620-L624 WeakPolarHBondContact O-CG 3.48Å; F620-L624 PolarHBondContact O-N 3.36Å; K622-L624 PolarHBondContact O-N 3.35Å; L624-D627 PolarHBondContact O-N 2.94Å; L624-I628 WeakPolarHBondContact O-CD1 3.21Å; L624-I628 VanDerWaalsContact O-CG1 3.28Å; L624-I628 WeakPolarHBondContact O-CG1 3.5Å; L624-I628 PolarHBondContact O-N 2.88Å; L624-I628 VanDerWaalsContact O-N 3.09Å
625K82.9Confident73.3Confident132 Ų13276.5 Ų76.557%0.57437%0.372SS*.Hα-helixtrans-65.3-41.1174.9-75.3-177.5176.4-167.40112.2R621 K622 L623 D627 I628 E629R621-K625 WeakPolarHBondContact O-CG 3.42Å; R621-K625 PolarHBondContact O-N 3.48Å; K622-K625 CarbonylContact O-C 3.6Å; K622-K625 WeakPolarHBondContact O-CB 3.29Å; K622-K625 PolarHBondContact O-N 3.32Å; K622-K625 VanDerWaalsContact O-N 3.09Å; L623-K625 VanDerWaalsContact C-N 3.34Å; L623-K625 PolarHBondContact O-N 3.09Å; K625-D627 VanDerWaalsContact C-N 3.35Å; K625-I628 WeakPolarHBondContact O-CB 3.42Å; K625-I628 PolarHBondContact O-N 3.29Å; K625-E629 WeakPolarHBondContact O-CG 3.43Å; K625-E629 PolarHBondContact O-N 2.86Å
626E82.7Confident73.6Confident84 Ų8478 Ų7839%0.39337%0.366SS..Hα-helixtrans-63.9-39.1175.7-74.5167.8-166.700111.5K622 L623 E629 N630K622-E626 WeakPolarHBondContact O-CB 3.45Å; K622-E626 WeakPolarHBondContact O-CG 3.32Å; K622-E626 PolarHBondContact O-N 2.94Å; L623-E626 PolarHBondContact O-N 2.6Å; E626-E629 PolarHBondContact O-N 2.78Å; E626-N630 VanDerWaalsContact O-CB 3.29Å; E626-N630 WeakPolarHBondContact O-CB 3.25Å; E626-N630 PolarHBondContact O-N 2.95Å; E626-N630 PolarHBondContact O-ND2 3.41Å
627D81.9Confident73.7Confident29 Ų2978.5 Ų78.516%0.15537%0.368CS..Hα-helixtrans-61.5-42.8172.8-168.863.9000111.6S475 F477 H481 L623 L624 K625 H631S475-D627 PolarHBondContact OG-OD2 2.89Å; F477-D627 HydrophobicContact CD2-CB 3.96Å; F477-D627 HydrophobicContact CE2-CB 4.42Å; H481-D627 IonicContact CD2-OD2 2.62Å; H481-D627 IonicContact CE1-OD2 3.55Å; H481-D627 IonicContact NE2-OD2 2.9Å; H481-D627 PolarHBondContact NE2-OD2 2.8Å; L623-D627 PolarHBondContact O-N 2.79Å; L624-D627 PolarHBondContact O-N 2.94Å; K625-D627 VanDerWaalsContact C-N 3.35Å; D627-H631 WeakPolarHBondContact O-CB 3.49Å; D627-H631 PolarHBondContact O-N 3.34Å
628I82.4Confident73.7Confident29 Ų2976 Ų7615%0.14936%0.359CS..Hα-helixtrans-62.8-47.3174.7-65.4155.8000110.9S452 N454 L624 K625 H631 C632S452-I628 WeakPolarHBondContact O-CD1 3.44Å; N454-I628 HydrophobicContact CB-CG1 3.97Å; L624-I628 WeakPolarHBondContact O-CD1 3.21Å; L624-I628 VanDerWaalsContact O-CG1 3.28Å; L624-I628 WeakPolarHBondContact O-CG1 3.5Å; L624-I628 PolarHBondContact O-N 2.88Å; L624-I628 VanDerWaalsContact O-N 3.09Å; K625-I628 WeakPolarHBondContact O-CB 3.42Å; K625-I628 PolarHBondContact O-N 3.29Å; I628-H631 WeakPolarHBondContact O-CB 3.27Å; I628-H631 PolarHBondContact O-N 2.85Å; I628-C632 PolarHBondContact O-N 2.86Å; I628-C632 PolarHBondContact O-SG 3.09Å; I628-C632 VanDerWaalsContact O-SG 3.34Å
629E82.1Confident73.3Confident109 Ų10976.9 Ų76.951%0.50936%0.364SS..Hα-helixtrans-64.3-41.7-179.9-74.7177.8-164.600112.3K625 E626 H631 C632 R633K625-E629 WeakPolarHBondContact O-CG 3.43Å; K625-E629 PolarHBondContact O-N 2.86Å; E626-E629 PolarHBondContact O-N 2.78Å; E629-H631 VanDerWaalsContact C-N 3.32Å; E629-H631 PolarHBondContact O-N 2.84Å; E629-C632 PolarHBondContact O-N 2.86Å; E629-R633 WeakPolarHBondContact O-CG 3.49Å; E629-R633 PolarHBondContact O-N 3.18Å
630N79.3Confident72.2Confident80 Ų8082.7 Ų82.743%0.42838%0.382SS..Hα-helixtrans-62.5-40.5174.2-75.3-28.2000111.3E626 R633 Q634E626-N630 VanDerWaalsContact O-CB 3.29Å; E626-N630 WeakPolarHBondContact O-CB 3.25Å; E626-N630 PolarHBondContact O-N 2.95Å; E626-N630 PolarHBondContact O-ND2 3.41Å; N630-R633 PolarHBondContact O-N 3.2Å; N630-Q634 WeakPolarHBondContact O-CG 3.49Å; N630-Q634 PolarHBondContact O-N 3.09Å
631H73.2Confident70.6Confident30 Ų3086 Ų8614%0.13941%0.405CS..Hα-helixtrans-63.6-45.6174.8-175.752.9000112.1N454 S473 D627 I628 E629 R633 Q634 I635N454-H631 PolarHBondContact OD1-CD2 3.24Å; S473-H631 WeakPolarHBondContact CB-CE1 3.23Å; S473-H631 PolarHBondContact OG-CE1 3.02Å; D627-H631 WeakPolarHBondContact O-CB 3.49Å; D627-H631 PolarHBondContact O-N 3.34Å; I628-H631 WeakPolarHBondContact O-CB 3.27Å; I628-H631 PolarHBondContact O-N 2.85Å; E629-H631 VanDerWaalsContact C-N 3.32Å; E629-H631 PolarHBondContact O-N 2.84Å; H631-R633 VanDerWaalsContact C-N 3.29Å; H631-R633 PolarHBondContact O-N 2.74Å; H631-Q634 PolarHBondContact O-N 2.76Å; H631-I635 VanDerWaalsContact NE2-CD1 3.29Å; H631-I635 WeakPolarHBondContact NE2-CD1 3.45Å; H631-I635 PolarHBondContact O-N 2.8Å; H631-I635 VanDerWaalsContact O-N 3.12Å
632C72.3Confident69Low63 Ų6381.6 Ų81.643%0.42639%0.392SS..Hα-helixtrans-60.4-37174.5-68.90000112.5I628 E629 N636I628-C632 PolarHBondContact O-N 2.86Å; I628-C632 PolarHBondContact O-SG 3.09Å; I628-C632 VanDerWaalsContact O-SG 3.34Å; E629-C632 PolarHBondContact O-N 2.86Å; C632-N636 WeakPolarHBondContact O-CB 3.28Å; C632-N636 VanDerWaalsContact O-CG 3.27Å; C632-N636 PolarHBondContact O-N 3.48Å; C632-N636 PolarHBondContact O-ND2 3.23Å
633R73.6Confident66.8Low149 Ų14978.8 Ų78.856%0.56239%0.39SS*.Hα-helixtrans-65.2-47.1174.6-76.4-177.9-175.2160.55112.2E629 N630 H631 I635 N636 E637E629-R633 WeakPolarHBondContact O-CG 3.49Å; E629-R633 PolarHBondContact O-N 3.18Å; N630-R633 PolarHBondContact O-N 3.2Å; H631-R633 VanDerWaalsContact C-N 3.29Å; H631-R633 PolarHBondContact O-N 2.74Å; R633-I635 VanDerWaalsContact C-N 3.31Å; R633-I635 PolarHBondContact O-N 3.29Å; R633-N636 PolarHBondContact O-N 3.12Å; R633-N636 VanDerWaalsContact O-N 3.09Å; R633-E637 WeakPolarHBondContact O-CG 3.37Å; R633-E637 PolarHBondContact O-N 2.97Å
634Q68.7Low64.5Low120 Ų12085.7 Ų85.756%0.56142%0.421SS*.Hα-helixtrans-58.8-41.4178.3-73.9177.40.100112.2N630 H631 L638N630-Q634 WeakPolarHBondContact O-CG 3.49Å; N630-Q634 PolarHBondContact O-N 3.09Å; H631-Q634 PolarHBondContact O-N 2.76Å; Q634-L638 WeakPolarHBondContact O-CD1 3.39Å; Q634-L638 WeakPolarHBondContact O-CG 3.29Å; Q634-L638 PolarHBondContact O-N 2.84Å
635I64.7Low62.1Low23 Ų2391 Ų9112%0.11845%0.453CS..Hα-helixtrans-65.4-41.5175.1-67.8175.2000111.3K391 H631 R633 L638 N639K391-I635 HydrophobicContact CD-CG2 4.17Å; H631-I635 VanDerWaalsContact NE2-CD1 3.29Å; H631-I635 WeakPolarHBondContact NE2-CD1 3.45Å; H631-I635 PolarHBondContact O-N 2.8Å; H631-I635 VanDerWaalsContact O-N 3.12Å; R633-I635 VanDerWaalsContact C-N 3.31Å; R633-I635 PolarHBondContact O-N 3.29Å; I635-L638 PolarHBondContact O-N 2.93Å; I635-N639 PolarHBondContact O-N 3.48Å; I635-N639 VanDerWaalsContact O-N 3.1Å; I635-N639 PolarHBondContact O-ND2 2.96Å
636N63.1Low59.5Low93 Ų9388.8 Ų88.850%0.49745%0.454SS..Hα-helixtrans-70.8-34.3-180-75.6-20.4000113.2C632 R633 N639 Y640C632-N636 WeakPolarHBondContact O-CB 3.28Å; C632-N636 VanDerWaalsContact O-CG 3.27Å; C632-N636 PolarHBondContact O-N 3.48Å; C632-N636 PolarHBondContact O-ND2 3.23Å; R633-N636 PolarHBondContact O-N 3.12Å; R633-N636 VanDerWaalsContact O-N 3.09Å; N636-N639 WeakPolarHBondContact O-CB 3.44Å; N636-N639 PolarHBondContact O-N 2.9Å; N636-Y640 PolarHBondContact O-N 3.45Å
637E63.2Low56.8Low136 Ų13686.8 Ų86.864%0.63646%0.456SS*.Hα-helixtrans-64.1-41.8173.7-75.5177.3-179.100111.1R633 N639 Y640 S641R633-E637 WeakPolarHBondContact O-CG 3.37Å; R633-E637 PolarHBondContact O-N 2.97Å; E637-N639 VanDerWaalsContact C-N 3.29Å; E637-N639 PolarHBondContact O-N 3.38Å; E637-Y640 PolarHBondContact O-N 3.48Å; E637-S641 PolarHBondContact O-N 3.28Å; E637-S641 PolarHBondContact O-OG 3.31Å
638L55.5Low54.1Low86 Ų8695.4 Ų95.445%0.4549%0.488SS..Hα-helixtrans-60.7-37.6172-72.5163.6000112.2Q634 I635 S641Q634-L638 WeakPolarHBondContact O-CD1 3.39Å; Q634-L638 WeakPolarHBondContact O-CG 3.29Å; Q634-L638 PolarHBondContact O-N 2.84Å; I635-L638 PolarHBondContact O-N 2.93Å; L638-S641 PolarHBondContact O-OG 3.01Å
639N51.9Low51.2Low58 Ų58103 Ų10331%0.3152%0.523SS..Hα-helixtrans-69.3-32.3176.9-73-24000113.3Q395 I635 N636 E637 S643Q395-N639 PolarHBondContact NE2-OD1 3.12Å; I635-N639 PolarHBondContact O-N 3.48Å; I635-N639 VanDerWaalsContact O-N 3.1Å; I635-N639 PolarHBondContact O-ND2 2.96Å; N636-N639 WeakPolarHBondContact O-CB 3.44Å; N636-N639 PolarHBondContact O-N 2.9Å; E637-N639 VanDerWaalsContact C-N 3.29Å; E637-N639 PolarHBondContact O-N 3.38Å; N639-S643 PolarHBondContact O-N 3.01Å
640Y49.2Very low48.4Very low192 Ų192104.8 Ų104.875%0.75354%0.536SS*.Hα-helixtrans-73.1-40.6179.9-110.1-84.9000112.2N636 E637 D642 S643N636-Y640 PolarHBondContact O-N 3.45Å; E637-Y640 PolarHBondContact O-N 3.48Å; Y640-D642 PolarHBondContact O-N 3.38Å; Y640-S643 PolarHBondContact O-N 3.13Å; Y640-S643 PolarHBondContact O-OG 3.48Å
641S41.8Very low45.7Very low69 Ų69104.1 Ų104.148%0.48355%0.548SS..Hα-helixtrans-60.1-27.2176.340.30000113.8E637 L638E637-S641 PolarHBondContact O-N 3.28Å; E637-S641 PolarHBondContact O-OG 3.31Å; L638-S641 PolarHBondContact O-OG 3.01Å
642D40.5Very low43.3Very low60 Ų60109.4 Ų109.432%0.32158%0.577SS.*Hα-helixtrans-94.9-12.5-176.6-82.3-3.9000114.2Q399 Y640 E644 V645 C646Q399-D642 PolarHBondContact NE2-OD2 3.45Å; Y640-D642 PolarHBondContact O-N 3.38Å; D642-E644 PolarHBondContact O-N 3.09Å; D642-V645 PolarHBondContact O-N 3.44Å; D642-V645 VanDerWaalsContact O-N 3.13Å; D642-C646 PolarHBondContact O-N 3.08Å
643S33.4Very low41Very low74 Ų74115.5 Ų115.552%0.51760%0.599SS.*Hα-helixtrans-66-21.9174.963.60000113N639 Y640N639-S643 PolarHBondContact O-N 3.01Å; Y640-S643 PolarHBondContact O-N 3.13Å; Y640-S643 PolarHBondContact O-OG 3.48Å
644E30.8Very low38.6Very low172 Ų172113 Ų11380%0.80461%0.605SS**THydrogen-bonded Turntrans-80.7-25.5172.6-66.9-169.8161.900113.5D642D642-E644 PolarHBondContact O-N 3.09Å
645V30.8Very low36.5Very low122 Ų122111.9 Ų111.974%0.73961%0.61SS**THydrogen-bonded Turntrans-93.1-24.8-174.6-176.10000112.7D642D642-V645 PolarHBondContact O-N 3.44Å; D642-V645 VanDerWaalsContact O-N 3.13Å
646C29.5Very low34.4Very low86 Ų86116.2 Ų116.258%0.58164%0.642SS**SBendtrans-103.94.6178.4-124.30000115.2D642 Y648D642-C646 PolarHBondContact O-N 3.08Å; C646-Y648 PolarHBondContact O-N 2.99Å
647G24.2Very low32.5Very low43 Ų43117.4 Ų117.444%0.44365%0.653SS.*  trans-8097.7169.100000110.8Q649G647-Q649 VanDerWaalsContact C-N 3.34Å; G647-Q649 PolarHBondContact O-N 3.18Å
648Y25.6Very low30.6Very low209 Ų209117.2 Ų117.282%0.8266%0.662SS**  trans-52.5113147.6-85.5-88.3000105.5C646 N650C646-Y648 PolarHBondContact O-N 2.99Å; Y648-N650 VanDerWaalsContact C-N 3.29Å; Y648-N650 PolarHBondContact O-N 3.01Å
649Q22.7Very low29Very low189 Ų189121.2 Ų121.288%0.88368%0.682SS**  trans-49.2102172.4-68.9177.6-800106.7G647 G651G647-Q649 VanDerWaalsContact C-N 3.34Å; G647-Q649 PolarHBondContact O-N 3.18Å; Q649-G651 PolarHBondContact O-N 3.49Å
650N23.3Very low27.7Very low147 Ų147123.8 Ų123.879%0.78671%0.705SS**  trans-58.3101.5152.5-86.2-23.1000102.7Y648 N652Y648-N650 VanDerWaalsContact C-N 3.29Å; Y648-N650 PolarHBondContact O-N 3.01Å; N650-N652 PolarHBondContact O-N 3.43Å
651G22.6Very low26.5Very low65 Ų65122.3 Ų122.367%0.6771%0.705SS**  trans-49.4103.4165.800000105.8Q649 E653Q649-G651 PolarHBondContact O-N 3.49Å; G651-E653 PolarHBondContact O-N 2.76Å
652N22.4Very low25.7Very low141 Ų141127.2 Ų127.275%0.75473%0.726SS**  trans-62.884.8164.6-86.2-21.2000105.1N650 S654N650-N652 PolarHBondContact O-N 3.43Å; N652-S654 PolarHBondContact O-N 2.74Å
653E24.6Very low24.9Very low192 Ų192131.3 Ų131.390%0.89774%0.743SS**  trans-69.463.4155.1-74.7-172.9165.800107.7G651G651-E653 PolarHBondContact O-N 2.76Å
654S23.2Very low24.6Very low97 Ų97134 Ų13468%0.67876%0.756SS**  trans-10860.6156.844.30000107.4N652N652-S654 PolarHBondContact O-N 2.74Å
655S23.3Very low24.4Very low95 Ų95135.1 Ų135.166%0.66476%0.761SS**  trans-12662.5155.744.20000108.3T657S655-T657 PolarHBondContact O-N 3.28Å
656S21.8Very low24.1Very low114 Ų114134.9 Ų134.980%0.79776%0.76SS**  trans-59.881.4155.753.40000108.4
657T22.3Very low23.9Very low119 Ų119139.3 Ų139.373%0.7377%0.77SS**  trans-96.392.8162.3-26.40000105S655 L659S655-T657 PolarHBondContact O-N 3.28Å; T657-L659 PolarHBondContact O-N 2.9Å
658T22.3Very low24Very low132 Ų132146.4 Ų146.481%0.8179%0.791SS**  trans-40.4107.3168.337.90000109.9S660T658-S660 PolarHBondContact O-N 2.86Å
659L22.9Very low24Very low170 Ų170143.7 Ų143.789%0.8979%0.789SS**  trans-71.4105.8165.8-76.7165.6000106.5T657 E661T657-L659 PolarHBondContact O-N 2.9Å; L659-E661 PolarHBondContact O-N 2.93Å; L659-E661 VanDerWaalsContact O-N 3.1Å
660S25.1Very low24.1Very low111 Ų111145.2 Ų145.278%0.77679%0.787SS**  trans-58.8107.3170.351.60000110T658T658-S660 PolarHBondContact O-N 2.86Å
661E23.3Very low24.1Very low161 Ų161145.7 Ų145.775%0.75279%0.789SS**  trans23.6105.8130.1-64.9168.5-172.700116.8L659L659-E661 PolarHBondContact O-N 2.93Å; L659-E661 VanDerWaalsContact O-N 3.1Å
662D24.4Very low24.2Very low173 Ų173150 Ų15093%0.92580%0.795SS**  trans-131.993.9139.1-97.9-28.7000106.2T664D662-T664 PolarHBondContact O-N 3.04Å
663E24.2Very low24.4Very low146 Ų146150.6 Ų150.668%0.68280%0.799SS**  trans-80.498.8179.3-65.1-169.9142.200111.1
664T27.9Very low24.2Very low130 Ų130150.7 Ų150.780%0.79880%0.796SS**SBendtrans-169.1101147.943.40000108.1D662D662-T664 PolarHBondContact O-N 3.04Å
665E25.9Very low24.2Very low195 Ų195152.2 Ų152.291%0.91180%0.802SS**SBendtrans151.8-0.5155.7-86.8179.1172.800113.5
666V24.5Very low24.2Very low118 Ų118155.8 Ų155.872%0.71581%0.808SS**  trans-115.460.9169.4-165.90000110.2
667K25.5Very low24.1Very low179 Ų179159.4 Ų159.478%0.77881%0.812SS**  trans-1057.9175.4-90.2-170.8177.6177.30115.5
668E26.8Very low24.1Very low192 Ų192160.2 Ų160.290%0.89781%0.81SS**SBendtrans-1178.7-179.6-79.5-171.9159.300116.8
669I25.8Very low24Very low152 Ų152160.5 Ų160.578%0.77981%0.807SS**SBendtrans-128.330.3178.3-41.3178.9000112.6
670R23.5Very low23.9Very low220 Ų220161.6 Ų161.683%0.8381%0.805SS**  trans-127.423.5177.5-84.9-169.4178.7178.20.7115.7
671N23.8Very low23.6Very low157 Ų157165.3 Ų165.384%0.8481%0.807SS**  trans-117.649.7175.4-85.3-4.4000113.2
672I25.5Very low23.6Very low155 Ų155164 Ų16480%0.79581%0.811SS**SBendtrans-146.9132.7152.4-53.1-178.5000105.3
673D25.5Very low23.5Very low154 Ų154164.3 Ų164.382%0.82481%0.806SS**  trans93.860.5-174.9-52.5-17.9000116
674K21.2Very low23.4Very low194 Ų194164.4 Ų164.484%0.84381%0.811SS**  trans-121.588.9153.9-80.6-169.7178.5-177.10109.6
675T22Very low23.1Very low130 Ų130163.9 Ų163.980%0.79881%0.808SS**  trans-176.8115.8163.4390000103.7
676E23.3Very low22.8Very low170 Ų170161.3 Ų161.379%0.79480%0.799SS**  cis-149.7134.323.5-72161.3149.300108.2
677E20.8Very low22.6Very low190 Ų190163 Ų16389%0.88880%0.803SS**  trans-78.5117.6159.5-77.7178.414800108
678I22.1Very low22.3Very low135 Ų135161.1 Ų161.169%0.69280%0.8SS**  trans-120.293.9161.4-58.9178.8000107.5F680I678-F680 HydrophobicContact CG2-CD2 4.06Å
679N19.8Very low22Very low138 Ų138159.9 Ų159.974%0.73880%0.795SS**  trans-68.4122.4160.7-102-32.3000108.8
680F21.5Very low21.8Very low193 Ų193159.4 Ų159.485%0.84679%0.794SS**  trans-144.999148.2-91.5-74.6000110.5I678I678-F680 HydrophobicContact CG2-CD2 4.06Å
681K19.2Very low21.8Very low189 Ų189156.7 Ų156.782%0.82280%0.795SS**  trans-82.7123.7149.5-73.1177.9175178.30107
682T22.6Very low21.7Very low135 Ų135155.8 Ų155.883%0.82880%0.795SS**  trans162144.1131.733.40000110.8
683H21.4Very low21.5Very low178 Ų178152.8 Ų152.882%0.82479%0.794SS**  trans-51.9135.6177.8-74.6-78.3000113.3
684D22.7Very low21.4Very low149 Ų149150.2 Ų150.280%0.79779%0.794SS**  178.9128.8116.1-87.4-23.6000112.2
685T21Very low21.4Very low119 Ų119150.2 Ų150.273%0.7380%0.797SS**  trans45.8104.7141.6-37.50000120.8
686I19.5Very low21.4Very low140 Ų140152 Ų15272%0.71880%0.801SS**  trans14.5110.9134.3-53.6173000116.2I688I686-I688 HydrophobicContact CG2-CD1 4.17Å; I686-I688 HydrophobicContact CG2-CG1 4.03Å
687L20.2Very low21.2Very low153 Ų153149.8 Ų149.880%0.80180%0.802SS**  trans-13198.7146.7-112157.4000108.4Q689L687-Q689 HydrophobicContact CD2-CG 4.3Å; L687-Q689 PolarHBondContact O-N 2.99Å
688I19.6Very low21.4Very low141 Ų141151 Ų15172%0.72381%0.805SS**  trans-72.5105.2165.3-64.7165.5000105.8I686I686-I688 HydrophobicContact CG2-CD1 4.17Å; I686-I688 HydrophobicContact CG2-CG1 4.03Å
689Q20.9Very low21.3Very low166 Ų166151.5 Ų151.578%0.77681%0.809SS**  trans-122.2116.6161.6-88.6-172.8-16.700110L687 N691L687-Q689 HydrophobicContact CD2-CG 4.3Å; L687-Q689 PolarHBondContact O-N 2.99Å; Q689-N691 PolarHBondContact O-N 3.05Å
690N21.4Very low21.5Very low142 Ų142152 Ų15276%0.75981%0.812SS**  trans-47120168.8-67.3-40.3000111.3
691N24.5Very low21.7Very low162 Ų162149.6 Ų149.687%0.86681%0.808SS**  trans-13381.6155-88.4-29000108.8Q689Q689-N691 PolarHBondContact O-N 3.05Å
692V21Very low21.9Very low138 Ų138149.3 Ų149.384%0.83681%0.81SS**  trans-63.9139.6150.1174.30000107.1
693A21.7Very low22Very low92 Ų92150.2 Ų150.276%0.7681%0.809SS**  trans94.486.217500000117
694A22.8Very low22.1Very low100 Ų100151.1 Ų151.183%0.82681%0.814SS**  trans-17768.7134.600000111
695Q22.5Very low22Very low195 Ų195155.5 Ų155.591%0.91182%0.819SS**  trans-157.360.4165.8-123.5160.9-2.600112.4
696L21Very low22.1Very low168 Ų168158.7 Ų158.788%0.8883%0.826SS**  trans-143.589.8165.3-84.5170.2000108
697C19.8Very low22.3Very low122 Ų122160.6 Ų160.682%0.82484%0.836SS**  trans171.594.1148.7-90.30000109.2
698F24.1Very low22.4Very low216 Ų216162.4 Ų162.495%0.94784%0.841SS**  trans-161.1104.7130.1-104-71.6000108.5
699N20.8Very low22.4Very low145 Ų145160.7 Ų160.778%0.77584%0.841SS**  trans-56137.3162.5-80.9-31.9000110.2
700N23.8Very low22.5Very low148 Ų148162.1 Ų162.179%0.79185%0.845SS**  -169.3140.2115.8-98.1-17.4000113
701N25.7Very low22.6Very low144 Ų144165 Ų16577%0.7785%0.854SS**  trans84.881.4156.6-58.9-15.9000118.4N703N701-N703 PolarHBondContact O-N 2.94Å
702Q22.8Very low22.4Very low183 Ų183165.4 Ų165.486%0.85585%0.852SS**  trans-40.4115133.1-64179.6-18.300110.7
703N24.8Very low22.4Very low153 Ų153165.8 Ų165.882%0.81885%0.85SS**  trans169.981146.2-86.7-19.2000107.4N701N701-N703 PolarHBondContact O-N 2.94Å
704E23.7Very low22.3Very low197 Ų197172.7 Ų172.792%0.92186%0.858SS**  trans-179.255.5157-102.5168-149.700109.4
705R21.5Very low22.1Very low241 Ų241174 Ų17491%0.90986%0.856SS**  trans-130.882.3160.9-86-163.1-85.7-154.5-5.4107.6
706Q23.4Very low22Very low187 Ų187173 Ų17387%0.87485%0.851SS**  trans166.585.1152.8-94.1167.821.600108.8
707L23.3Very low21.9Very low179 Ų179169.4 Ų169.494%0.93784%0.84SS**  trans-161.957.2156.2-102.3143.1000107.9
708Q21Very low21.8Very low192 Ų192172.5 Ų172.590%0.89784%0.839SS**  trans-135.976.3162.3-83.7-170.4-700107
709S21.3Very low21.6Very low105 Ų105170 Ų17073%0.73483%0.831SS**SBendtrans176130150.856.50000109.8
710K23Very low21.6Very low196 Ų196170.5 Ų170.585%0.85283%0.833SS**  trans87.398.3165.7-54.7-179.4178.8-177.40115.8
711E23Very low21.2Very low203 Ų203170.9 Ų170.995%0.94983%0.834SS**  -162.285.7124.5-102.8166.4-162.200107.6
712M19.1Very low21Very low169 Ų169170 Ų17083%0.83384%0.837SS**  trans-96136.1155.7-84.1-156-55.300107.5
713D21.6Very low20.7Very low147 Ų147169.9 Ų169.979%0.78683%0.833SS**  trans70.791153.8-56.1-21.6000119
714Y20.4Very low20.4Very low237 Ų237167.4 Ų167.493%0.92983%0.828SS**  trans-94.197.4168.1-153.9-90.1000109.4
715V18.8Very low20.2Very low128 Ų128166.8 Ų166.878%0.77682%0.822SS**  trans-144.8100.6166.11790000109.9
716Q19.5Very low20.2Very low173 Ų173160.5 Ų160.581%0.80882%0.815SS**  trans164.4113.5132.8-96.1172.8-0.100113.5
717S18.1Very low20Very low93 Ų93159.6 Ų159.665%0.6581%0.814SS**  trans29118.813065.80000119.8
718K19.2Very low19.8Very low186 Ų186159.5 Ų159.581%0.80981%0.809SS**  167.4134.7100.6-93-174.4176.1-179.40112.5
719E17.9Very low19.7Very low164 Ų164159.2 Ų159.277%0.76681%0.808SS**  trans-2.3126144-62.8165.3147.400117.7
720N21.4Very low19.8Very low156 Ų156161.3 Ų161.383%0.83481%0.811SS**  -177.9121110.8-91.8-35000112
721L16.6Very low19.8Very low155 Ų155159 Ų15981%0.81281%0.808SS**  trans-64.6145.7157.4-129.582000109
722P20.2Very low19.8Very low126 Ų126157.5 Ų157.582%0.81881%0.806SS**  -136.2158.7121.931.1-16.2000114.2
723K17.3Very low20Very low180 Ų180158.9 Ų158.978%0.78381%0.807SS**  trans-77.1158.5-170.1-63.1167.7172.5175.10113.4
724S17.5Very low20.1Very low101 Ų101157.5 Ų157.571%0.70681%0.807SS**  trans77.9117.7139.876.70000118.8
725K20.3Very low20.3Very low185 Ų185155.6 Ų155.680%0.80480%0.804SS**  163139.496.8-89.7-175.4179.6177.60111.4
726S20.5Very low20.8Very low108 Ų108156.5 Ų156.576%0.75580%0.804SS**  trans54.8108.4149.452.40000120E728S726-E728 PolarHBondContact O-N 2.84Å
727I19.3Very low21.2Very low168 Ų168157.5 Ų157.586%0.86281%0.806SS**  trans-48112.4154.5-62.7153.1000110.4
728E20Very low21.9Very low178 Ų178160.4 Ų160.483%0.83281%0.814SS**  trans-122.2127.7154.1-93.7-173.8170.700109S726 N730S726-E728 PolarHBondContact O-N 2.84Å; E728-N730 PolarHBondContact O-N 3.25Å
729Q19.9Very low22.6Very low186 Ų186155.2 Ų155.287%0.86979%0.793SS**  trans-57.4115.2-179.6-67.3164.2-26.800110.4
730N23.1Very low23.5Very low149 Ų149153.4 Ų153.480%0.79779%0.789SS**  trans-132.396.8163.4-94.3-37.8000110.7E728E728-N730 PolarHBondContact O-N 3.25Å
731N22.1Very low24.5Very low148 Ų148153.5 Ų153.579%0.79178%0.784SS**  trans15.3106.8146.8-72.9-36.7000117.6K733N731-K733 PolarHBondContact O-N 2.98Å
732L23Very low25.9Very low171 Ų171152.4 Ų152.490%0.89578%0.779SS**  17.881.4127.1-112.288000116
733K23Very low27Very low198 Ų198151.7 Ų151.786%0.86177%0.765SS**  trans-137.760.1142.7-79-170.6-179.8172.80108.8N731 K735N731-K733 PolarHBondContact O-N 2.98Å; K733-K735 PolarHBondContact O-N 3.26Å
734C23.8Very low28.3Very low118 Ų118147.9 Ų147.980%0.79775%0.75SS**  trans-64.895.7158.9-810000107.1N736C734-N736 PolarHBondContact O-N 3.13Å
735K25.6Very low29.8Very low196 Ų196146.2 Ų146.285%0.85274%0.735SS**  trans-51.3109157.6-77.1177.7173.7177.40106.1K733 K737K733-K735 PolarHBondContact O-N 3.26Å; K735-K737 PolarHBondContact O-N 3.28Å
736N28.1Very low31.3Very low148 Ų148142 Ų14279%0.79172%0.721SS**  trans-61.482.9163.3-77.9-18.7000107.3C734 L738C734-N736 PolarHBondContact O-N 3.13Å; N736-L738 PolarHBondContact O-N 3.38Å; N736-L738 VanDerWaalsContact O-N 3.15Å
737K29.1Very low32.5Very low194 Ų194140.3 Ų140.384%0.84370%0.704SS**  trans-61.7109.5151.2-103.9-175.1170.2-1740104K735 M739K735-K737 PolarHBondContact O-N 3.28Å; K737-M739 PolarHBondContact O-N 3.17Å
738L32.9Very low33.8Very low154 Ų154138.1 Ų138.181%0.80669%0.691SS**PPolyproline II helixtrans-51.1117.5163.7-103.885.8000106.4N736 N740N736-L738 PolarHBondContact O-N 3.38Å; N736-L738 VanDerWaalsContact O-N 3.15Å; L738-N740 PolarHBondContact O-N 3.11Å
739M32.7Very low35.2Very low77 Ų77137.7 Ų137.738%0.37968%0.682SS.*PPolyproline II helixtrans-57.2129.1171.1-76-17974.700108.4K737 E743 Q744 L747K737-M739 PolarHBondContact O-N 3.17Å; M739-E743 WeakPolarHBondContact CA-OE2 3.37Å; M739-E743 HydrophobicContact CB-CB 4.3Å; M739-E743 HydrophobicContact CE-CB 3.41Å; M739-E743 VanDerWaalsContact CE-CB 3.41Å; M739-Q744 HydrophobicContact CB-CG 4.12Å; M739-Q744 PolarHBondContact O-NE2 3.14Å; M739-Q744 VanDerWaalsContact O-NE2 3.08Å; M739-L747 HydrophobicContact CE-CB 4.48Å; M739-L747 HydrophobicContact CE-CD1 4.26Å
740N36.3Very low36.5Very low126 Ų126130.6 Ų130.667%0.67465%0.653SS**PPolyproline II helixtrans-69158.9176-95.6-4.1000110.9L738 D742 E743 Q744L738-N740 PolarHBondContact O-N 3.11Å; N740-D742 PolarHBondContact O-N 2.99Å; N740-D742 VanDerWaalsContact O-N 3.14Å; N740-E743 WeakPolarHBondContact O-CB 3.31Å; N740-E743 PolarHBondContact O-N 3.44Å; N740-Q744 PolarHBondContact O-N 3.35Å; N740-Q744 VanDerWaalsContact O-N 3.07Å
741E42.6Very low37.6Very low158 Ų158127.7 Ų127.774%0.73863%0.633SS**Hα-helixtrans-53.7-36.5-172.2-72-171.7148.900113.7Q744 V745E741-Q744 PolarHBondContact O-N 3.08Å; E741-V745 WeakPolarHBondContact O-CB 3.15Å; E741-V745 VanDerWaalsContact O-CG2 3.25Å; E741-V745 WeakPolarHBondContact O-CG2 3.37Å; E741-V745 PolarHBondContact O-N 3.44Å
742D45.7Very low39.1Very low132 Ų132129.3 Ų129.371%0.70663%0.633SS**Hα-helixtrans-67.1-39.4177.6-69.3-35.8000112.2N740 Q744 V745 D746N740-D742 PolarHBondContact O-N 2.99Å; N740-D742 VanDerWaalsContact O-N 3.14Å; D742-Q744 VanDerWaalsContact C-N 3.34Å; D742-Q744 PolarHBondContact O-N 3.32Å; D742-V745 PolarHBondContact O-N 2.93Å; D742-D746 PolarHBondContact O-N 3.28Å
743E44.9Very low40.7Very low111 Ų111123.5 Ų123.552%0.51961%0.607SS.*Hα-helixtrans-68.4-34.9175.1-58.3-178.9148.900111.1M739 N740 L747M739-E743 WeakPolarHBondContact CA-OE2 3.37Å; M739-E743 HydrophobicContact CB-CB 4.3Å; M739-E743 HydrophobicContact CE-CB 3.41Å; M739-E743 VanDerWaalsContact CE-CB 3.41Å; N740-E743 WeakPolarHBondContact O-CB 3.31Å; N740-E743 PolarHBondContact O-N 3.44Å; E743-L747 VanDerWaalsContact O-CB 3.3Å; E743-L747 WeakPolarHBondContact O-CB 3.37Å; E743-L747 PolarHBondContact O-N 3.5Å
744Q44.3Very low42.1Very low100 Ų100118.2 Ų118.247%0.46760%0.595SS.*Hα-helixtrans-67.3-38.8173.5-66.1-176.41300112M739 N740 E741 D742 M748M739-Q744 HydrophobicContact CB-CG 4.12Å; M739-Q744 PolarHBondContact O-NE2 3.14Å; M739-Q744 VanDerWaalsContact O-NE2 3.08Å; N740-Q744 PolarHBondContact O-N 3.35Å; N740-Q744 VanDerWaalsContact O-N 3.07Å; E741-Q744 PolarHBondContact O-N 3.08Å; D742-Q744 VanDerWaalsContact C-N 3.34Å; D742-Q744 PolarHBondContact O-N 3.32Å; Q744-M748 VanDerWaalsContact O-CB 3.25Å; Q744-M748 WeakPolarHBondContact O-CB 3.25Å; Q744-M748 VanDerWaalsContact O-CG 3.24Å; Q744-M748 WeakPolarHBondContact O-CG 3.23Å; Q744-M748 PolarHBondContact O-N 2.94Å
745V48.9Very low43.6Very low66 Ų66121.1 Ų121.140%0.459%0.594SS.*Hα-helixtrans-67.6-40.9177.3169.20000110.8E741 D742 M748 R749E741-V745 WeakPolarHBondContact O-CB 3.15Å; E741-V745 VanDerWaalsContact O-CG2 3.25Å; E741-V745 WeakPolarHBondContact O-CG2 3.37Å; E741-V745 PolarHBondContact O-N 3.44Å; D742-V745 PolarHBondContact O-N 2.93Å; V745-M748 PolarHBondContact O-N 2.95Å; V745-R749 WeakPolarHBondContact O-CB 3.45Å; V745-R749 VanDerWaalsContact O-CG 3.27Å; V745-R749 WeakPolarHBondContact O-CG 3.5Å; V745-R749 PolarHBondContact O-N 2.78Å
746D50.6Low45.2Very low96 Ų96112.4 Ų112.451%0.51356%0.558SS.*Hα-helixtrans-70.7-37.6176-80.8-14.6000112.2D742 R749 S750D742-D746 PolarHBondContact O-N 3.28Å; D746-R749 PolarHBondContact O-N 2.99Å; D746-R749 IonicContact OD1-NH1 2.7Å; D746-S750 PolarHBondContact O-N 2.9Å
747L46.8Very low46.9Very low73 Ų73110.2 Ų110.238%0.38255%0.55SS..Hα-helixtrans-61.5-45.9170.7-152.289.5000110.8M739 E743 R749 S750 F751M739-L747 HydrophobicContact CE-CB 4.48Å; M739-L747 HydrophobicContact CE-CD1 4.26Å; E743-L747 VanDerWaalsContact O-CB 3.3Å; E743-L747 WeakPolarHBondContact O-CB 3.37Å; E743-L747 PolarHBondContact O-N 3.5Å; L747-R749 PolarHBondContact O-N 3.23Å; L747-S750 WeakPolarHBondContact O-CA 3.4Å; L747-S750 WeakPolarHBondContact O-CB 3.46Å; L747-S750 PolarHBondContact O-N 3.45Å; L747-S750 VanDerWaalsContact O-N 3.11Å; L747-S750 PolarHBondContact O-OG 3.44Å; L747-F751 HydrophobicContact CD2-CE2 3.86Å; L747-F751 HydrophobicContact CG-CE2 4.08Å; L747-F751 WeakPolarHBondContact O-CD2 3.4Å; L747-F751 PolarHBondContact O-N 3.06Å
748M45.9Very low48.4Very low122 Ų122103.8 Ų103.860%0.60152%0.524SS*.Hα-helixtrans-65.5-34177-79.9-83-8900113.2Q744 V745 S750 F751 K752Q744-M748 VanDerWaalsContact O-CB 3.25Å; Q744-M748 WeakPolarHBondContact O-CB 3.25Å; Q744-M748 VanDerWaalsContact O-CG 3.24Å; Q744-M748 WeakPolarHBondContact O-CG 3.23Å; Q744-M748 PolarHBondContact O-N 2.94Å; V745-M748 PolarHBondContact O-N 2.95Å; M748-S750 VanDerWaalsContact C-N 3.34Å; M748-F751 PolarHBondContact O-N 3.17Å; M748-K752 PolarHBondContact O-N 2.83Å
749R50.5Low49.8Very low169 Ų16999.3 Ų99.364%0.63850%0.498SS*.Hα-helixtrans-66.9-38170.9-78171.8175.3178-1.2111V745 D746 L747 F751 K752V745-R749 WeakPolarHBondContact O-CB 3.45Å; V745-R749 VanDerWaalsContact O-CG 3.27Å; V745-R749 WeakPolarHBondContact O-CG 3.5Å; V745-R749 PolarHBondContact O-N 2.78Å; D746-R749 PolarHBondContact O-N 2.99Å; D746-R749 IonicContact OD1-NH1 2.7Å; L747-R749 PolarHBondContact O-N 3.23Å; R749-F751 VanDerWaalsContact C-N 3.33Å; R749-F751 PolarHBondContact O-N 3.29Å; R749-K752 PolarHBondContact O-N 2.96Å
750S47.1Very low51.4Low37 Ų37100.6 Ų100.626%0.25950%0.503SS..Hα-helixtrans-63.4-36174.188.70000112D746 L747 M748 K752 S756D746-S750 PolarHBondContact O-N 2.9Å; L747-S750 WeakPolarHBondContact O-CA 3.4Å; L747-S750 WeakPolarHBondContact O-CB 3.46Å; L747-S750 PolarHBondContact O-N 3.45Å; L747-S750 VanDerWaalsContact O-N 3.11Å; L747-S750 PolarHBondContact O-OG 3.44Å; M748-S750 VanDerWaalsContact C-N 3.34Å; S750-K752 VanDerWaalsContact C-N 3.33Å; S750-K752 PolarHBondContact O-N 3.07Å; S750-S756 WeakPolarHBondContact O-CB 3.33Å; S750-S756 PolarHBondContact O-OG 3.11Å; S750-S756 VanDerWaalsContact O-OG 3.1Å
751F45.8Very low52.9Low87 Ų8799.9 Ų99.938%0.38250%0.499SS..Hα-helixtrans-66.2-29.7177.7-84-72.2000114.4L747 M748 R749 S753 I758L747-F751 HydrophobicContact CD2-CE2 3.86Å; L747-F751 HydrophobicContact CG-CE2 4.08Å; L747-F751 WeakPolarHBondContact O-CD2 3.4Å; L747-F751 PolarHBondContact O-N 3.06Å; M748-F751 PolarHBondContact O-N 3.17Å; R749-F751 VanDerWaalsContact C-N 3.33Å; R749-F751 PolarHBondContact O-N 3.29Å; F751-S753 VanDerWaalsContact C-N 3.28Å; F751-S753 PolarHBondContact O-N 3Å; F751-I758 HydrophobicContact CE1-CG2 3.96Å; F751-I758 HydrophobicContact CZ-CG2 4.36Å
752K52.5Low54.3Low183 Ų18396.9 Ų96.980%0.79649%0.487SS*.THydrogen-bonded Turntrans-78.8-11.5-174.9-73.2-176.2178.6-177.50114.1M748 R749 S750M748-K752 PolarHBondContact O-N 2.83Å; R749-K752 PolarHBondContact O-N 2.96Å; S750-K752 VanDerWaalsContact C-N 3.33Å; S750-K752 PolarHBondContact O-N 3.07Å
753S57.1Low55.6Low49 Ų4992.9 Ų92.934%0.34347%0.467SS..  trans-90.9120179.3170.10000109.9F751 K755 S756F751-S753 VanDerWaalsContact C-N 3.28Å; F751-S753 PolarHBondContact O-N 3Å; S753-K755 PolarHBondContact O-N 3.2Å; S753-K755 VanDerWaalsContact O-N 3.09Å; S753-K755 WeakPolarHBondContact OG-CA 3.34Å; S753-K755 WeakPolarHBondContact OG-CB 3.37Å; S753-K755 PolarHBondContact OG-N 3.38Å; S753-K755 VanDerWaalsContact OG-N 3.07Å; S753-S756 VanDerWaalsContact O-CB 3.25Å; S753-S756 WeakPolarHBondContact O-CB 3.35Å; S753-S756 PolarHBondContact O-N 3.19Å; S753-S756 PolarHBondContact OG-N 2.9Å
754S53.9Low57Low87 Ų8790.5 Ų90.561%0.60846%0.458SS*.THydrogen-bonded Turntrans-60.8-12.8166.651.70000113.1
755K53.5Low58.5Low178 Ų17886 Ų8677%0.77444%0.437SS*.THydrogen-bonded Turntrans-92.83.6173.3-61.8-175.2173.9-174.60113.9S753S753-K755 PolarHBondContact O-N 3.2Å; S753-K755 VanDerWaalsContact O-N 3.09Å; S753-K755 WeakPolarHBondContact OG-CA 3.34Å; S753-K755 WeakPolarHBondContact OG-CB 3.37Å; S753-K755 PolarHBondContact OG-N 3.38Å; S753-K755 VanDerWaalsContact OG-N 3.07Å
756S60.5Low60.1Low13 Ų1385.9 Ų85.99%0.09144%0.435CS..  trans-71.2134.4179.1171.10000111.3S750 S753 I758 F759 Q760S750-S756 WeakPolarHBondContact O-CB 3.33Å; S750-S756 PolarHBondContact O-OG 3.11Å; S750-S756 VanDerWaalsContact O-OG 3.1Å; S753-S756 VanDerWaalsContact O-CB 3.25Å; S753-S756 WeakPolarHBondContact O-CB 3.35Å; S753-S756 PolarHBondContact O-N 3.19Å; S753-S756 PolarHBondContact OG-N 2.9Å; S756-I758 PolarHBondContact O-N 3.44Å; S756-I758 PolarHBondContact OG-N 3.2Å; S756-F759 PolarHBondContact O-N 2.84Å; S756-Q760 PolarHBondContact O-N 3.08Å
757V63.9Low61.3Low103 Ų10386.4 Ų86.462%0.62444%0.437SS*.Hα-helixtrans-53.6-37.3175.1-1790000110.7N761V757-N761 WeakPolarHBondContact CG1-ND2 3.38Å; V757-N761 WeakPolarHBondContact O-CB 3.44Å; V757-N761 VanDerWaalsContact O-CG 3.29Å; V757-N761 PolarHBondContact O-N 3.31Å
758I60.4Low62.9Low59 Ų5987.5 Ų87.530%0.30344%0.442SS..Hα-helixtrans-69.7-41.8177.1-61.8173.3000111F751 S756 I762 V763F751-I758 HydrophobicContact CE1-CG2 3.96Å; F751-I758 HydrophobicContact CZ-CG2 4.36Å; S756-I758 PolarHBondContact O-N 3.44Å; S756-I758 PolarHBondContact OG-N 3.2Å; I758-I762 HydrophobicContact CG2-CD1 4.34Å; I758-I762 WeakPolarHBondContact O-CA 3.35Å; I758-I762 VanDerWaalsContact O-CB 3.31Å; I758-I762 WeakPolarHBondContact O-CB 3.22Å; I758-I762 PolarHBondContact O-N 3.06Å; I758-V763 PolarHBondContact O-N 3.45Å
759F62.8Low64.6Low59 Ų5981.7 Ų81.726%0.25941%0.414SS..Iπ-helixtrans-67.2-41.1179.4-161-87.1000111.4S756 V763 N764S756-F759 PolarHBondContact O-N 2.84Å; F759-V763 HydrophobicContact CD2-CB 4Å; F759-V763 HydrophobicContact CD2-CG1 4.02Å; F759-V763 HydrophobicContact CD2-CG2 4.18Å; F759-V763 HydrophobicContact CE2-CB 4.26Å; F759-V763 HydrophobicContact CE2-CG1 3.77Å; F759-V763 HydrophobicContact CG-CB 4.24Å; F759-V763 HydrophobicContact CZ-CG1 4.15Å; F759-V763 PolarHBondContact O-N 3.39Å; F759-N764 VanDerWaalsContact CE1-OD1 3.24Å; F759-N764 WeakPolarHBondContact CE1-OD1 3.42Å; F759-N764 WeakPolarHBondContact O-CB 3.32Å; F759-N764 PolarHBondContact O-N 2.78Å
760Q64.4Low66Low105 Ų10578.2 Ų78.249%0.49141%0.407SS..Iπ-helixtrans-72.9-42.2178.2-73.1-165-26.300113.3S756 P765S756-Q760 PolarHBondContact O-N 3.08Å; Q760-P765 WeakPolarHBondContact O-CD 3.45Å
761N68.9Low67.4Low110 Ų11080.2 Ų80.259%0.58842%0.418SS*.Iπ-helixtrans-90.9-19.3-172.2-63.9-9.2000113.7V757V757-N761 WeakPolarHBondContact CG1-ND2 3.38Å; V757-N761 WeakPolarHBondContact O-CB 3.44Å; V757-N761 VanDerWaalsContact O-CG 3.29Å; V757-N761 PolarHBondContact O-N 3.31Å
762I71.2Confident68.8Low96 Ų9679.2 Ų79.249%0.49242%0.415SS..Iπ-helixtrans-122.4-54.7-175.1-54.9-178.8000111.6I758 P765 L766I758-I762 HydrophobicContact CG2-CD1 4.34Å; I758-I762 WeakPolarHBondContact O-CA 3.35Å; I758-I762 VanDerWaalsContact O-CB 3.31Å; I758-I762 WeakPolarHBondContact O-CB 3.22Å; I758-I762 PolarHBondContact O-N 3.06Å; I762-P765 WeakPolarHBondContact O-CD 3.49Å; I762-L766 HydrophobicContact CG2-CD1 3.93Å; I762-L766 WeakPolarHBondContact O-CB 3.35Å; I762-L766 WeakPolarHBondContact O-CD1 3.39Å; I762-L766 WeakPolarHBondContact O-CG 2.69Å; I762-L766 PolarHBondContact O-N 3.48Å
763V73Confident70.2Confident47 Ų4771.7 Ų71.729%0.28538%0.383SS..Iπ-helixtrans-71.9-47.8-171.8-178.50000112.3I758 F759 L766 L767I758-V763 PolarHBondContact O-N 3.45Å; F759-V763 HydrophobicContact CD2-CB 4Å; F759-V763 HydrophobicContact CD2-CG1 4.02Å; F759-V763 HydrophobicContact CD2-CG2 4.18Å; F759-V763 HydrophobicContact CE2-CB 4.26Å; F759-V763 HydrophobicContact CE2-CG1 3.77Å; F759-V763 HydrophobicContact CG-CB 4.24Å; F759-V763 HydrophobicContact CZ-CG1 4.15Å; F759-V763 PolarHBondContact O-N 3.39Å; V763-L766 PolarHBondContact O-N 3.27Å; V763-L767 WeakPolarHBondContact O-CB 3.29Å; V763-L767 PolarHBondContact O-N 3.39Å
764N74Confident70.9Confident62 Ų6271.7 Ų71.733%0.33239%0.391SS..Hα-helixtrans-60.5-47.8179.7-90.7-3.7000113.1F759 L766 L767 L768F759-N764 VanDerWaalsContact CE1-OD1 3.24Å; F759-N764 WeakPolarHBondContact CE1-OD1 3.42Å; F759-N764 WeakPolarHBondContact O-CB 3.32Å; F759-N764 PolarHBondContact O-N 2.78Å; N764-L766 PolarHBondContact O-N 2.73Å; N764-L767 PolarHBondContact O-N 3.36Å; N764-L768 WeakPolarHBondContact O-CB 3.11Å; N764-L768 WeakPolarHBondContact O-CG 3.28Å; N764-L768 PolarHBondContact O-N 2.85Å
765P77.9Confident71.8Confident4 Ų474 Ų743%0.02640%0.395CS..Hα-helixtrans-61.2-43.5176.9-24.334.9000111.8Q760 I762 L767 L768 G769 W788 L789 F792Q760-P765 WeakPolarHBondContact O-CD 3.45Å; I762-P765 WeakPolarHBondContact O-CD 3.49Å; P765-L767 PolarHBondContact O-N 2.85Å; P765-L768 PolarHBondContact O-N 3.35Å; P765-G769 PolarHBondContact O-N 3.31Å; P765-W788 HydrophobicContact CB-CZ3 4.1Å; P765-W788 VanDerWaalsContact O-CH2 3.25Å; P765-W788 WeakPolarHBondContact O-CH2 3.4Å; P765-W788 WeakPolarHBondContact O-CZ3 3.42Å; P765-L789 HydrophobicContact CB-CD2 4.09Å; P765-F792 HydrophobicContact CB-CD1 3.75Å; P765-F792 HydrophobicContact CB-CE1 3.71Å; P765-F792 HydrophobicContact CB-CE2 4.49Å; P765-F792 HydrophobicContact CB-CG 4.2Å; P765-F792 HydrophobicContact CB-CZ 4.09Å; P765-F792 HydrophobicContact CG-CD1 3.84Å; P765-F792 HydrophobicContact CG-CE1 3.32Å; P765-F792 HydrophobicContact CG-CZ 3.75Å
766L80.6Confident72.9Confident65 Ų6569 Ų6934%0.3438%0.379SS..Hα-helixtrans-60.7-43.9176-85.6161.9000112.2I762 V763 N764 G769 L770 L785 L789I762-L766 HydrophobicContact CG2-CD1 3.93Å; I762-L766 WeakPolarHBondContact O-CB 3.35Å; I762-L766 WeakPolarHBondContact O-CD1 3.39Å; I762-L766 WeakPolarHBondContact O-CG 2.69Å; I762-L766 PolarHBondContact O-N 3.48Å; V763-L766 PolarHBondContact O-N 3.27Å; N764-L766 PolarHBondContact O-N 2.73Å; L766-G769 PolarHBondContact O-N 2.97Å; L766-L770 WeakPolarHBondContact O-CB 3.49Å; L766-L770 VanDerWaalsContact O-CG 3.22Å; L766-L770 WeakPolarHBondContact O-CG 3.3Å; L766-L770 PolarHBondContact O-N 2.75Å; L766-L785 HydrophobicContact CD2-CD2 4.28Å; L766-L789 HydrophobicContact CD2-CD1 4.17Å
767L76.7Confident73.7Confident106 Ų10675.9 Ų75.956%0.55541%0.41SS*.Hα-helixtrans-62.6-45.4178.2-164.782.4000111.2V763 N764 P765 L770 T771V763-L767 WeakPolarHBondContact O-CB 3.29Å; V763-L767 PolarHBondContact O-N 3.39Å; N764-L767 PolarHBondContact O-N 3.36Å; P765-L767 PolarHBondContact O-N 2.85Å; L767-L770 PolarHBondContact O-N 3.32Å; L767-T771 WeakPolarHBondContact O-CB 3.18Å; L767-T771 PolarHBondContact O-N 3.16Å; L767-T771 PolarHBondContact O-OG1 2.81Å
768L80.7Confident74.6Confident96 Ų9672.1 Ų72.150%0.50339%0.388SS..Hα-helixtrans-62.5-46.8177.4-73.8169.3000111.5N764 P765 L770 T771 E772 W788 F792N764-L768 WeakPolarHBondContact O-CB 3.11Å; N764-L768 WeakPolarHBondContact O-CG 3.28Å; N764-L768 PolarHBondContact O-N 2.85Å; P765-L768 PolarHBondContact O-N 3.35Å; L768-L770 PolarHBondContact O-N 2.62Å; L768-T771 PolarHBondContact O-N 3.03Å; L768-E772 PolarHBondContact O-N 2.98Å; L768-W788 HydrophobicContact CB-CH2 3.52Å; L768-W788 HydrophobicContact CB-CZ2 3.78Å; L768-F792 HydrophobicContact CD1-CE2 4.42Å
769G80.6Confident75.4Confident0 Ų079.2 Ų79.20%042%0.419CS..Hα-helixtrans-62.3-41.5177.200000112.7P765 L766 E772 I773P765-G769 PolarHBondContact O-N 3.31Å; L766-G769 PolarHBondContact O-N 2.97Å; G769-E772 PolarHBondContact O-N 3.08Å; G769-I773 VanDerWaalsContact O-CG1 3.27Å; G769-I773 WeakPolarHBondContact O-CG1 3.48Å; G769-I773 PolarHBondContact O-N 3.36Å
770L80.2Confident76.4Confident97 Ų9780.1 Ų80.151%0.50843%0.427SS..Hα-helixtrans-67.4-37175-73.1170000112.4L766 L767 L768 I773 G774 L785L766-L770 WeakPolarHBondContact O-CB 3.49Å; L766-L770 VanDerWaalsContact O-CG 3.22Å; L766-L770 WeakPolarHBondContact O-CG 3.3Å; L766-L770 PolarHBondContact O-N 2.75Å; L767-L770 PolarHBondContact O-N 3.32Å; L768-L770 PolarHBondContact O-N 2.62Å; L770-I773 PolarHBondContact O-N 3.25Å; L770-G774 PolarHBondContact O-N 2.65Å; L770-L785 HydrophobicContact CD2-CD2 4.31Å
771T76.6Confident77.2Confident79 Ų7978 Ų7849%0.48542%0.423SS..Hα-helixtrans-65-43.2175.6-520000110.3L767 L768 G774 I775L767-T771 WeakPolarHBondContact O-CB 3.18Å; L767-T771 PolarHBondContact O-N 3.16Å; L767-T771 PolarHBondContact O-OG1 2.81Å; L768-T771 PolarHBondContact O-N 3.03Å; T771-G774 PolarHBondContact O-N 3.31Å; T771-I775 HydrophobicContact CG2-CD1 4.31Å; T771-I775 WeakPolarHBondContact O-CG1 3.46Å; T771-I775 PolarHBondContact O-N 2.87Å; T771-I775 VanDerWaalsContact O-N 3.14Å
772E75.6Confident77.8Confident66 Ų6679.7 Ų79.731%0.30843%0.431SS..Hα-helixtrans-65.5-38.8176.6-166.7176.6135.300112L768 G769 G774 I775 V776 Y784 W788L768-E772 PolarHBondContact O-N 2.98Å; G769-E772 PolarHBondContact O-N 3.08Å; E772-G774 VanDerWaalsContact C-N 3.28Å; E772-G774 PolarHBondContact O-N 3.38Å; E772-I775 PolarHBondContact O-N 3.18Å; E772-I775 VanDerWaalsContact O-N 3.07Å; E772-V776 HydrophobicContact CG-CG2 3.84Å; E772-V776 WeakPolarHBondContact O-CB 3.45Å; E772-V776 WeakPolarHBondContact O-CG2 3.48Å; E772-V776 PolarHBondContact O-N 2.83Å; E772-Y784 HydrophobicContact CG-CE1 4.4Å; E772-Y784 PolarHBondContact OE1-OH 2.84Å; E772-W788 VanDerWaalsContact CD-NE1 3.34Å; E772-W788 PolarHBondContact OE2-NE1 3.42Å
773I82.8Confident78.4Confident24 Ų2481 Ų8112%0.12343%0.434CS..Hα-helixtrans-59.7-40.1172.4-73.2165.6000111.5G769 L770 I775 Q777 P778 P781 Y784 L785G769-I773 VanDerWaalsContact O-CG1 3.27Å; G769-I773 WeakPolarHBondContact O-CG1 3.48Å; G769-I773 PolarHBondContact O-N 3.36Å; L770-I773 PolarHBondContact O-N 3.25Å; I773-I775 VanDerWaalsContact C-N 3.25Å; I773-I775 PolarHBondContact O-N 2.76Å; I773-Q777 WeakPolarHBondContact O-CA 3.4Å; I773-Q777 PolarHBondContact O-N 2.71Å; I773-P778 HydrophobicContact CG1-CG 4.44Å; I773-P781 WeakPolarHBondContact CD1-O 3.4Å; I773-P781 HydrophobicContact CG2-CB 3.96Å; I773-Y784 HydrophobicContact CD1-CD1 4.4Å; I773-Y784 HydrophobicContact CG1-CD1 3.7Å; I773-Y784 HydrophobicContact CG1-CE1 4.28Å; I773-L785 HydrophobicContact CD1-CB 3.61Å; I773-L785 HydrophobicContact CD1-CD1 3.78Å; I773-L785 HydrophobicContact CD1-CD2 4.46Å; I773-L785 HydrophobicContact CD1-CG 4.13Å
774G70.4Confident79.1Confident50 Ų5081.8 Ų81.852%0.51543%0.433SS..Hα-helixtrans-63-30.8174.900000113.6L770 T771 E772L770-G774 PolarHBondContact O-N 2.65Å; T771-G774 PolarHBondContact O-N 3.31Å; E772-G774 VanDerWaalsContact C-N 3.28Å; E772-G774 PolarHBondContact O-N 3.38Å
775I73.6Confident79.7Confident134 Ų13480.1 Ų80.169%0.68742%0.424SS*.Hα-helixtrans-83.1-48.8178.9-64.7165.8000111.6T771 E772 I773T771-I775 HydrophobicContact CG2-CD1 4.31Å; T771-I775 WeakPolarHBondContact O-CG1 3.46Å; T771-I775 PolarHBondContact O-N 2.87Å; T771-I775 VanDerWaalsContact O-N 3.14Å; E772-I775 PolarHBondContact O-N 3.18Å; E772-I775 VanDerWaalsContact O-N 3.07Å; I773-I775 VanDerWaalsContact C-N 3.25Å; I773-I775 PolarHBondContact O-N 2.76Å
776V75.9Confident79.8Confident73 Ų7381.4 Ų81.444%0.44244%0.438SS..Hα-helixtrans-82.5-28-171.9176.60000112E772 Y784E772-V776 HydrophobicContact CG-CG2 3.84Å; E772-V776 WeakPolarHBondContact O-CB 3.45Å; E772-V776 WeakPolarHBondContact O-CG2 3.48Å; E772-V776 PolarHBondContact O-N 2.83Å; V776-Y784 HydrophobicContact CG1-CE2 4.12Å
777Q78.4Confident79.8Confident159 Ų15982.9 Ų82.974%0.74345%0.446SS*.  trans46.556.3-177-59.7-1741.600113.6I773I773-Q777 WeakPolarHBondContact O-CA 3.4Å; I773-Q777 PolarHBondContact O-N 2.71Å
778P81.6Confident80.3Confident24 Ų2479.7 Ų79.716%0.15643%0.427CS..  trans-66.3149.3-178.630.6-37.3000112.2I773 N780 Y784I773-P778 HydrophobicContact CG1-CG 4.44Å; P778-N780 PolarHBondContact O-N 2.89Å; P778-N780 VanDerWaalsContact O-N 3.16Å; P778-Y784 HydrophobicContact CB-CD2 3.53Å; P778-Y784 HydrophobicContact CB-CE2 4.18Å; P778-Y784 HydrophobicContact CB-CG 3.78Å; P778-Y784 HydrophobicContact CG-CD1 3.94Å; P778-Y784 HydrophobicContact CG-CD2 3.76Å; P778-Y784 HydrophobicContact CG-CE2 4.42Å; P778-Y784 HydrophobicContact CG-CG 3.49Å; P778-Y784 VanDerWaalsContact CG-CG 3.49Å
779E78Confident80.5Confident207 Ų20777.8 Ų77.897%0.96742%0.417SS*.SBendtrans-56.9-31.9-179.4-70.1-175.1163.400113.9
780N83.4Confident80.3Confident78 Ų7881.2 Ų81.242%0.41744%0.44SS..  trans-125.489.9174.1-169-22.7000111P778 L782 Q783 Y784P778-N780 PolarHBondContact O-N 2.89Å; P778-N780 VanDerWaalsContact O-N 3.16Å; N780-L782 VanDerWaalsContact C-N 3.29Å; N780-L782 PolarHBondContact O-N 2.89Å; N780-L782 PolarHBondContact OD1-N 2.91Å; N780-Q783 HydrophobicContact CB-CB 4.12Å; N780-Q783 PolarHBondContact ND2-OE1 2.9Å; N780-Q783 PolarHBondContact O-N 3.46Å; N780-Q783 PolarHBondContact OD1-N 3.1Å; N780-Y784 WeakPolarHBondContact O-CB 3.36Å; N780-Y784 PolarHBondContact O-N 2.98Å
781P82.3Confident80.2Confident62 Ų6283.7 Ų83.740%0.40345%0.447SS..Hα-helixtrans-58.7-35.4-175.6-26.334.7000114.2I773 L785I773-P781 WeakPolarHBondContact CD1-O 3.4Å; I773-P781 HydrophobicContact CG2-CB 3.96Å; P781-L785 WeakPolarHBondContact O-CB 3.45Å; P781-L785 PolarHBondContact O-N 2.9Å
782L81.6Confident80.2Confident145 Ų14583.5 Ų83.576%0.75944%0.44SS*.Hα-helixtrans-70.4-46.5-179.4-88.3153.3000111.7N780 Y784 L785 G786N780-L782 VanDerWaalsContact C-N 3.29Å; N780-L782 PolarHBondContact O-N 2.89Å; N780-L782 PolarHBondContact OD1-N 2.91Å; L782-Y784 VanDerWaalsContact C-N 3.32Å; L782-L785 PolarHBondContact O-N 3.17Å; L782-G786 PolarHBondContact O-N 3.26Å
783Q83.4Confident80Confident122 Ų12283.2 Ų83.257%0.5745%0.445SS*.Hα-helixtrans-66.3-37.8176.2-170.4174.26.200111.2N780 G786 N787N780-Q783 HydrophobicContact CB-CB 4.12Å; N780-Q783 PolarHBondContact ND2-OE1 2.9Å; N780-Q783 PolarHBondContact O-N 3.46Å; N780-Q783 PolarHBondContact OD1-N 3.1Å; Q783-G786 PolarHBondContact O-N 2.81Å; Q783-N787 WeakPolarHBondContact O-CB 3.15Å; Q783-N787 PolarHBondContact O-N 2.96Å
784Y86.3Confident79.1Confident65 Ų6588.5 Ų88.526%0.25547%0.469SS..Hα-helixtrans-61.9-48.9173.6-169.1-86.5000111.6E772 I773 V776 P778 N780 L782 G786 N787 W788E772-Y784 HydrophobicContact CG-CE1 4.4Å; E772-Y784 PolarHBondContact OE1-OH 2.84Å; I773-Y784 HydrophobicContact CD1-CD1 4.4Å; I773-Y784 HydrophobicContact CG1-CD1 3.7Å; I773-Y784 HydrophobicContact CG1-CE1 4.28Å; V776-Y784 HydrophobicContact CG1-CE2 4.12Å; P778-Y784 HydrophobicContact CB-CD2 3.53Å; P778-Y784 HydrophobicContact CB-CE2 4.18Å; P778-Y784 HydrophobicContact CB-CG 3.78Å; P778-Y784 HydrophobicContact CG-CD1 3.94Å; P778-Y784 HydrophobicContact CG-CD2 3.76Å; P778-Y784 HydrophobicContact CG-CE2 4.42Å; P778-Y784 HydrophobicContact CG-CG 3.49Å; P778-Y784 VanDerWaalsContact CG-CG 3.49Å; N780-Y784 WeakPolarHBondContact O-CB 3.36Å; N780-Y784 PolarHBondContact O-N 2.98Å; L782-Y784 VanDerWaalsContact C-N 3.32Å; Y784-G786 VanDerWaalsContact C-N 3.33Å; Y784-G786 PolarHBondContact O-N 3.31Å; Y784-N787 PolarHBondContact O-N 3.41Å; Y784-W788 VanDerWaalsContact O-CB 3.23Å; Y784-W788 WeakPolarHBondContact O-CB 3.46Å; Y784-W788 PolarHBondContact O-N 2.98Å
785L86.8Confident78.5Confident26 Ų2693.6 Ų93.614%0.13648%0.477CS..Hα-helixtrans-59.4-43.8176.5-168.758.8000111.5L766 L770 I773 P781 L782 W788 L789L766-L785 HydrophobicContact CD2-CD2 4.28Å; L770-L785 HydrophobicContact CD2-CD2 4.31Å; I773-L785 HydrophobicContact CD1-CB 3.61Å; I773-L785 HydrophobicContact CD1-CD1 3.78Å; I773-L785 HydrophobicContact CD1-CD2 4.46Å; I773-L785 HydrophobicContact CD1-CG 4.13Å; P781-L785 WeakPolarHBondContact O-CB 3.45Å; P781-L785 PolarHBondContact O-N 2.9Å; L782-L785 PolarHBondContact O-N 3.17Å; L785-W788 WeakPolarHBondContact O-CB 3.4Å; L785-W788 PolarHBondContact O-N 3.07Å; L785-L789 HydrophobicContact CD1-CD1 4.38Å; L785-L789 HydrophobicContact CD1-CG 4.37Å; L785-L789 HydrophobicContact CG-CD1 3.98Å; L785-L789 HydrophobicContact CG-CG 4.39Å; L785-L789 WeakPolarHBondContact O-CB 3.39Å; L785-L789 VanDerWaalsContact O-CG 3.31Å; L785-L789 WeakPolarHBondContact O-CG 3.48Å; L785-L789 PolarHBondContact O-N 3.45Å
786G81.1Confident77.6Confident32 Ų3289.6 Ų89.633%0.3346%0.461SS..Hα-helixtrans-59.4-50.5177.700000112.1L782 Q783 Y784 W788 L789 C790L782-G786 PolarHBondContact O-N 3.26Å; Q783-G786 PolarHBondContact O-N 2.81Å; Y784-G786 VanDerWaalsContact C-N 3.33Å; Y784-G786 PolarHBondContact O-N 3.31Å; G786-W788 VanDerWaalsContact C-N 3.31Å; G786-W788 PolarHBondContact O-N 3.34Å; G786-L789 PolarHBondContact O-N 3.4Å; G786-C790 PolarHBondContact O-N 2.81Å; G786-C790 PolarHBondContact O-SG 3.17Å; G786-C790 VanDerWaalsContact O-SG 3.38Å
787N81Confident76.1Confident96 Ų9692.4 Ų92.451%0.51347%0.471SS..Hα-helixtrans-62.2-38.9176-74.2-18.3000112.3Q783 Y784 C790 K791Q783-N787 WeakPolarHBondContact O-CB 3.15Å; Q783-N787 PolarHBondContact O-N 2.96Å; Y784-N787 PolarHBondContact O-N 3.41Å; N787-C790 PolarHBondContact O-N 3.32Å; N787-K791 WeakPolarHBondContact O-CG 3.29Å; N787-K791 PolarHBondContact O-N 3.18Å
788W86Confident74.5Confident38 Ų3888.6 Ų88.614%0.14446%0.461CS..Hα-helixtrans-63.5-47.4177.7-171.499.1000111.3P765 L768 E772 Y784 L785 G786 C790 K791 F792P765-W788 HydrophobicContact CB-CZ3 4.1Å; P765-W788 VanDerWaalsContact O-CH2 3.25Å; P765-W788 WeakPolarHBondContact O-CH2 3.4Å; P765-W788 WeakPolarHBondContact O-CZ3 3.42Å; L768-W788 HydrophobicContact CB-CH2 3.52Å; L768-W788 HydrophobicContact CB-CZ2 3.78Å; E772-W788 VanDerWaalsContact CD-NE1 3.34Å; E772-W788 PolarHBondContact OE2-NE1 3.42Å; Y784-W788 VanDerWaalsContact O-CB 3.23Å; Y784-W788 WeakPolarHBondContact O-CB 3.46Å; Y784-W788 PolarHBondContact O-N 2.98Å; L785-W788 WeakPolarHBondContact O-CB 3.4Å; L785-W788 PolarHBondContact O-N 3.07Å; G786-W788 VanDerWaalsContact C-N 3.31Å; G786-W788 PolarHBondContact O-N 3.34Å; W788-C790 PolarHBondContact O-N 3.23Å; W788-K791 PolarHBondContact O-N 3.23Å; W788-F792 HydrophobicContact CE3-CB 4.23Å; W788-F792 HydrophobicContact CH2-CB 4.36Å; W788-F792 AromaticContact CH2-CD2 3.51Å; W788-F792 HydrophobicContact CH2-CD2 3.51Å; W788-F792 HydrophobicContact CH2-CE2 4.11Å; W788-F792 HydrophobicContact CH2-CG 4.11Å; W788-F792 HydrophobicContact CZ2-CD2 4.2Å; W788-F792 HydrophobicContact CZ3-CB 3.93Å; W788-F792 AromaticContact CZ3-CD2 3.88Å; W788-F792 HydrophobicContact CZ3-CD2 3.88Å; W788-F792 AromaticContact CZ3-CG 3.98Å; W788-F792 HydrophobicContact CZ3-CG 3.98Å; W788-F792 WeakPolarHBondContact O-CB 3.37Å; W788-F792 PolarHBondContact O-N 3Å
789L84.7Confident72.5Confident56 Ų5695.5 Ų95.529%0.29349%0.492SS..Hα-helixtrans-64.4-39.5177.3-72.3170.5000111.8P765 L766 L785 G786 F792 S793P765-L789 HydrophobicContact CB-CD2 4.09Å; L766-L789 HydrophobicContact CD2-CD1 4.17Å; L785-L789 HydrophobicContact CD1-CD1 4.38Å; L785-L789 HydrophobicContact CD1-CG 4.37Å; L785-L789 HydrophobicContact CG-CD1 3.98Å; L785-L789 HydrophobicContact CG-CG 4.39Å; L785-L789 WeakPolarHBondContact O-CB 3.39Å; L785-L789 VanDerWaalsContact O-CG 3.31Å; L785-L789 WeakPolarHBondContact O-CG 3.48Å; L785-L789 PolarHBondContact O-N 3.45Å; G786-L789 PolarHBondContact O-N 3.4Å; L789-F792 PolarHBondContact O-N 2.83Å; L789-S793 PolarHBondContact O-N 2.92Å
790C77.9Confident70.4Confident72 Ų7292.7 Ų92.749%0.48648%0.483SS..Hα-helixtrans-62.3-41173.7-730000112.5G786 N787 W788 S793 Q794G786-C790 PolarHBondContact O-N 2.81Å; G786-C790 PolarHBondContact O-SG 3.17Å; G786-C790 VanDerWaalsContact O-SG 3.38Å; N787-C790 PolarHBondContact O-N 3.32Å; W788-C790 PolarHBondContact O-N 3.23Å; C790-S793 PolarHBondContact O-OG 2.98Å; C790-S793 VanDerWaalsContact O-OG 3.06Å; C790-Q794 VanDerWaalsContact O-CG 3.29Å; C790-Q794 WeakPolarHBondContact O-CG 3.22Å; C790-Q794 PolarHBondContact O-N 3.48Å; C790-Q794 VanDerWaalsContact O-N 3.15Å
791K77.6Confident67.9Low149 Ų14996 Ų9665%0.64851%0.513SS*.Hα-helixtrans-67.3-38.9174.3-75.8-179.6179.9178.70111.9N787 W788 Q794 K795N787-K791 WeakPolarHBondContact O-CG 3.29Å; N787-K791 PolarHBondContact O-N 3.18Å; W788-K791 PolarHBondContact O-N 3.23Å; K791-Q794 PolarHBondContact O-N 2.87Å; K791-K795 PolarHBondContact O-N 2.82Å
792F75.8Confident67.2Low76 Ų7697.7 Ų97.733%0.33352%0.518SS..Hα-helixtrans-63-45.8177.4-170.3-83.9000111.1P765 L768 W788 L789 Q794 K795 S796P765-F792 HydrophobicContact CB-CD1 3.75Å; P765-F792 HydrophobicContact CB-CE1 3.71Å; P765-F792 HydrophobicContact CB-CE2 4.49Å; P765-F792 HydrophobicContact CB-CG 4.2Å; P765-F792 HydrophobicContact CB-CZ 4.09Å; P765-F792 HydrophobicContact CG-CD1 3.84Å; P765-F792 HydrophobicContact CG-CE1 3.32Å; P765-F792 HydrophobicContact CG-CZ 3.75Å; L768-F792 HydrophobicContact CD1-CE2 4.42Å; W788-F792 HydrophobicContact CE3-CB 4.23Å; W788-F792 HydrophobicContact CH2-CB 4.36Å; W788-F792 AromaticContact CH2-CD2 3.51Å; W788-F792 HydrophobicContact CH2-CD2 3.51Å; W788-F792 HydrophobicContact CH2-CE2 4.11Å; W788-F792 HydrophobicContact CH2-CG 4.11Å; W788-F792 HydrophobicContact CZ2-CD2 4.2Å; W788-F792 HydrophobicContact CZ3-CB 3.93Å; W788-F792 AromaticContact CZ3-CD2 3.88Å; W788-F792 HydrophobicContact CZ3-CD2 3.88Å; W788-F792 AromaticContact CZ3-CG 3.98Å; W788-F792 HydrophobicContact CZ3-CG 3.98Å; W788-F792 WeakPolarHBondContact O-CB 3.37Å; W788-F792 PolarHBondContact O-N 3Å; L789-F792 PolarHBondContact O-N 2.83Å; F792-Q794 VanDerWaalsContact C-N 3.33Å; F792-Q794 PolarHBondContact O-N 3.45Å; F792-K795 PolarHBondContact O-N 2.83Å; F792-S796 PolarHBondContact O-N 2.97Å; F792-S796 VanDerWaalsContact O-N 3.12Å
793S71.2Confident66.4Low60 Ų6095.2 Ų95.242%0.4251%0.505SS..Hα-helixtrans-66.6-32.2178.172.80000113.2L789 C790 S796 M797L789-S793 PolarHBondContact O-N 2.92Å; C790-S793 PolarHBondContact O-OG 2.98Å; C790-S793 VanDerWaalsContact O-OG 3.06Å; S793-S796 PolarHBondContact O-OG 3.38Å; S793-S796 VanDerWaalsContact O-OG 3.06Å; S793-M797 VanDerWaalsContact O-CG 3.26Å; S793-M797 WeakPolarHBondContact O-CG 3.34Å; S793-M797 PolarHBondContact O-N 2.88Å
794Q64.7Low65.5Low134 Ų13493.7 Ų93.763%0.62650%0.502SS*.Hα-helixtrans-67.4-38.2175.3-76.8174-4.300112.2C790 K791 F792 S798C790-Q794 VanDerWaalsContact O-CG 3.29Å; C790-Q794 WeakPolarHBondContact O-CG 3.22Å; C790-Q794 PolarHBondContact O-N 3.48Å; C790-Q794 VanDerWaalsContact O-N 3.15Å; K791-Q794 PolarHBondContact O-N 2.87Å; F792-Q794 VanDerWaalsContact C-N 3.33Å; F792-Q794 PolarHBondContact O-N 3.45Å; Q794-S798 PolarHBondContact O-N 3.37Å
795K57.8Low64.2Low157 Ų15795.4 Ų95.468%0.68352%0.516SS*.Hα-helixtrans-68.6-40.2175.2-84.8-174.8173.2-176.40112.9K791 F792 M797 S798K791-K795 PolarHBondContact O-N 2.82Å; F792-K795 PolarHBondContact O-N 2.83Å; K795-M797 VanDerWaalsContact C-N 3.33Å; K795-M797 PolarHBondContact O-N 3.35Å; K795-S798 PolarHBondContact O-N 3.22Å; K795-S798 PolarHBondContact O-OG 3.5Å
796S53.5Low62.8Low50 Ų5099.8 Ų99.835%0.3554%0.54SS..Hα-helixtrans-67.8-33.2178.664.50000112.4F792 S793 S798 E799F792-S796 PolarHBondContact O-N 2.97Å; F792-S796 VanDerWaalsContact O-N 3.12Å; S793-S796 PolarHBondContact O-OG 3.38Å; S793-S796 VanDerWaalsContact O-OG 3.06Å; S796-S798 VanDerWaalsContact C-N 3.32Å; S796-S798 PolarHBondContact O-N 3.01Å; S796-E799 PolarHBondContact O-N 3.47Å
797M44.6Very low61.6Low133 Ų133104.3 Ų104.366%0.65555%0.554SS**Hα-helixtrans-70.9-23.8176.4-70-94.291.200113.6S793 K795 S801S793-M797 VanDerWaalsContact O-CG 3.26Å; S793-M797 WeakPolarHBondContact O-CG 3.34Å; S793-M797 PolarHBondContact O-N 2.88Å; K795-M797 VanDerWaalsContact C-N 3.33Å; K795-M797 PolarHBondContact O-N 3.35Å; M797-S801 PolarHBondContact O-OG 3.1Å
798S45.4Very low60.2Low78 Ų78104.9 Ų104.955%0.54556%0.557SS.*Hα-helixtrans-82-13.4176.655.40000114.6Q794 K795 S796Q794-S798 PolarHBondContact O-N 3.37Å; K795-S798 PolarHBondContact O-N 3.22Å; K795-S798 PolarHBondContact O-OG 3.5Å; S796-S798 VanDerWaalsContact C-N 3.32Å; S796-S798 PolarHBondContact O-N 3.01Å
799E39.8Very low58.2Low169 Ų169110 Ų11079%0.7959%0.589SS**Hα-helixtrans-93.9-21.3176.9-72.7-176.516700112.8S796S796-E799 PolarHBondContact O-N 3.47Å
800D34.6Very low56Low149 Ų149114.5 Ų114.580%0.79761%0.613SS**  trans-104.94.8-179.1-80.2-20.5000114.4
801S29.8Very low54.1Low147 Ų147118.4 Ų118.4100%1.02863%0.625SS**  trans-102.40168.469.20000111M797M797-S801 PolarHBondContact O-OG 3.1Å

Retrieved 801 of 801 residues in 1088.6 ms (Link to these results)

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