A0A087YB46_POEFO Loading...

BMS1 ribosome biogenesis factor

AlphaFold DB , UniProt , Accession A0A087YB46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,049 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
1M84.8Confident88.5Confident149 Ų14948.5 Ų48.573%0.73425%0.249SC*.  0136.30-69.7-168.7-74.600109.2L13 L127 P674M1-L13 HydrophobicContact CE-CD2 3.47Å; M1-L13 VanDerWaalsContact CE-CD2 3.47Å; M1-L13 HydrophobicContact SD-CD2 3.77Å; M1-L127 HydrophobicContact CE-CD1 3.84Å; M1-L127 HydrophobicContact CE-CD2 3.48Å; M1-L127 VanDerWaalsContact CE-CD2 3.48Å; M1-L127 HydrophobicContact CE-CG 4.32Å; M1-L127 HydrophobicContact SD-CD1 3.55Å; M1-L127 VanDerWaalsContact SD-CD1 3.55Å; M1-L127 HydrophobicContact SD-CD2 3.66Å; M1-L127 HydrophobicContact SD-CG 4.19Å; M1-P674 HydrophobicContact SD-CB 3.97Å
2E89.7Confident88.8Confident169 Ų16945.3 Ų45.379%0.7923%0.233SC*.  trans-85169.7162.7-168.4163.1167.200109.7
3C88.5Confident89.1Confident39 Ų3942.8 Ų42.826%0.26422%0.22SC..  trans-128.4111.9177.1175.80000109M10 L13C3-M10 VanDerWaalsContact SG-CG 3.56Å; C3-L13 HydrophobicContact CB-CD1 3.59Å
4N85.7Confident89.4Confident32 Ų3239.9 Ų39.917%0.17121%0.206CC..  trans-58.7154.9174.7-60.1-4.2000111.1D6 H672 Y673N4-D6 PolarHBondContact O-N 3.41Å; N4-H672 PolarHBondContact ND2-O 2.98Å; N4-H672 PolarHBondContact OD1-O 3.41Å; N4-Y673 WeakPolarHBondContact ND2-CE2 3.47Å
5N83.1Confident89.6Confident114 Ų11437.7 Ų37.761%0.6119%0.194SC*.SBendtrans-69.53.9-175.9-61.6-10.7000114.5R775N5-R775 PolarHBondContact O-NH1 3.5Å
6D86Confident89.8Confident3 Ų335.7 Ų35.72%0.01618%0.184CC..  trans-74.9128.4172.1-171.60.2000111.2N4 N8 A9 M10N4-D6 PolarHBondContact O-N 3.41Å; D6-N8 VanDerWaalsContact CG-ND2 3.34Å; D6-N8 PolarHBondContact O-N 3.11Å; D6-N8 VanDerWaalsContact O-N 3.15Å; D6-N8 PolarHBondContact OD1-N 2.95Å; D6-N8 PolarHBondContact OD1-ND2 2.7Å; D6-N8 VanDerWaalsContact OD1-ND2 3.14Å; D6-N8 VanDerWaalsContact OD2-CB 3.26Å; D6-N8 WeakPolarHBondContact OD2-CB 3.42Å; D6-N8 PolarHBondContact OD2-ND2 3.08Å; D6-A9 PolarHBondContact O-N 2.73Å; D6-A9 VanDerWaalsContact O-N 3.14Å; D6-M10 WeakPolarHBondContact O-CG 3.46Å; D6-M10 PolarHBondContact O-N 2.83Å
7I89Confident90Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-58.7-24.6172.7-167.7165.2000112.5I11 I40 V764 V767 R775 I776I7-I11 HydrophobicContact CG1-CD1 4.02Å; I7-I11 HydrophobicContact CG1-CG1 4.4Å; I7-I11 VanDerWaalsContact O-CB 3.3Å; I7-I11 WeakPolarHBondContact O-CB 3.46Å; I7-I11 WeakPolarHBondContact O-CD1 3.44Å; I7-I11 WeakPolarHBondContact O-CG1 3.35Å; I7-I11 PolarHBondContact O-N 3.21Å; I7-I40 HydrophobicContact CG1-CD1 4.36Å; I7-V764 HydrophobicContact CD1-CG1 4.4Å; I7-V764 HydrophobicContact CD1-CG2 4Å; I7-V767 HydrophobicContact CG2-CB 4.35Å; I7-V767 HydrophobicContact CG2-CG1 4.09Å; I7-V767 HydrophobicContact CG2-CG2 4.15Å; I7-R775 HydrophobicContact CD1-CB 3.74Å; I7-I776 HydrophobicContact CD1-CG1 4.2Å
8N90.6Very high90.1Very high3 Ų335.7 Ų35.72%0.01619%0.188CC..Hα-helixtrans-64.6-53.6172.9-61.2-45.9000111.3D6 M10 I11 D12 R718 V767D6-N8 VanDerWaalsContact CG-ND2 3.34Å; D6-N8 PolarHBondContact O-N 3.11Å; D6-N8 VanDerWaalsContact O-N 3.15Å; D6-N8 PolarHBondContact OD1-N 2.95Å; D6-N8 PolarHBondContact OD1-ND2 2.7Å; D6-N8 VanDerWaalsContact OD1-ND2 3.14Å; D6-N8 VanDerWaalsContact OD2-CB 3.26Å; D6-N8 WeakPolarHBondContact OD2-CB 3.42Å; D6-N8 PolarHBondContact OD2-ND2 3.08Å; N8-M10 VanDerWaalsContact C-N 3.34Å; N8-M10 PolarHBondContact O-N 3.19Å; N8-I11 WeakPolarHBondContact O-CB 3.26Å; N8-I11 PolarHBondContact O-N 2.91Å; N8-I11 VanDerWaalsContact O-N 3.08Å; N8-D12 PolarHBondContact O-N 3.11Å; N8-D12 VanDerWaalsContact O-N 3.13Å; N8-R718 VanDerWaalsContact CB-NH1 3.32Å; N8-R718 PolarHBondContact O-NH1 2.81Å; N8-V767 VanDerWaalsContact ND2-CG1 3.33Å; N8-V767 WeakPolarHBondContact ND2-CG1 3.44Å
9A90.4Very high90.2Very high6 Ų635.9 Ų35.95%0.0519%0.19CC..Hα-helixtrans-61.6-42.6179.100000111.3D6 I11 D12 L13D6-A9 PolarHBondContact O-N 2.73Å; D6-A9 VanDerWaalsContact O-N 3.14Å; A9-I11 VanDerWaalsContact C-N 3.29Å; A9-I11 PolarHBondContact O-N 3.21Å; A9-D12 PolarHBondContact O-N 3.02Å; A9-L13 WeakPolarHBondContact O-CB 3.05Å; A9-L13 PolarHBondContact O-N 3.11Å
10M92.3Very high90.4Very high11 Ų1134.8 Ų34.85%0.05418%0.184CC..Hα-helixtrans-55.2-41.8171.8-69.1178.6-171.700112.7C3 D6 N8 A14 E33 F37 I40C3-M10 VanDerWaalsContact SG-CG 3.56Å; D6-M10 WeakPolarHBondContact O-CG 3.46Å; D6-M10 PolarHBondContact O-N 2.83Å; N8-M10 VanDerWaalsContact C-N 3.34Å; N8-M10 PolarHBondContact O-N 3.19Å; M10-A14 WeakPolarHBondContact O-CB 3.47Å; M10-A14 PolarHBondContact O-N 2.72Å; M10-A14 VanDerWaalsContact O-N 3.13Å; M10-E33 HydrophobicContact CE-CB 4.14Å; M10-F37 HydrophobicContact CB-CD2 3.82Å; M10-F37 HydrophobicContact CB-CE2 4.27Å; M10-F37 HydrophobicContact CG-CD2 3.94Å; M10-I40 HydrophobicContact CB-CD1 4.24Å
11I93.3Very high90.6Very high7 Ų736.7 Ų36.74%0.03619%0.194CC..Hα-helixtrans-67.1-38.5179.7-80.4168.8000112.4I7 N8 A9 K15 I40 S713 R718 L762I7-I11 HydrophobicContact CG1-CD1 4.02Å; I7-I11 HydrophobicContact CG1-CG1 4.4Å; I7-I11 VanDerWaalsContact O-CB 3.3Å; I7-I11 WeakPolarHBondContact O-CB 3.46Å; I7-I11 WeakPolarHBondContact O-CD1 3.44Å; I7-I11 WeakPolarHBondContact O-CG1 3.35Å; I7-I11 PolarHBondContact O-N 3.21Å; N8-I11 WeakPolarHBondContact O-CB 3.26Å; N8-I11 PolarHBondContact O-N 2.91Å; N8-I11 VanDerWaalsContact O-N 3.08Å; A9-I11 VanDerWaalsContact C-N 3.29Å; A9-I11 PolarHBondContact O-N 3.21Å; I11-K15 VanDerWaalsContact O-CE 3.31Å; I11-K15 WeakPolarHBondContact O-CE 3.37Å; I11-K15 WeakPolarHBondContact O-CG 3.14Å; I11-I40 HydrophobicContact CG1-CD1 3.85Å; I11-I40 HydrophobicContact CG1-CG1 4.29Å; I11-I40 HydrophobicContact CG1-CG2 4.19Å; I11-S713 WeakPolarHBondContact CG2-OG 3.32Å; I11-R718 HydrophobicContact CG2-CG 4.4Å; I11-L762 HydrophobicContact CD1-CD2 3.51Å; I11-L762 HydrophobicContact CG1-CD2 3.82Å
12D92.6Very high91Very high11 Ų1130.3 Ų30.36%0.05916%0.163CC..Hα-helixtrans-81-45.3-176.8-60-23.1000111.6N8 A9 A14 K15 V16 P170 I676 R718N8-D12 PolarHBondContact O-N 3.11Å; N8-D12 VanDerWaalsContact O-N 3.13Å; A9-D12 PolarHBondContact O-N 3.02Å; D12-A14 PolarHBondContact O-N 2.85Å; D12-K15 WeakPolarHBondContact O-CB 3.43Å; D12-K15 PolarHBondContact O-N 3.18Å; D12-K15 IonicContact OD1-NZ 2.74Å; D12-K15 PolarHBondContact OD1-NZ 2.86Å; D12-V16 PolarHBondContact O-N 3.38Å; D12-P170 VanDerWaalsContact OD2-CB 3.25Å; D12-P170 WeakPolarHBondContact OD2-CB 3.38Å; D12-I676 HydrophobicContact CB-CD1 3.78Å; D12-R718 IonicContact OD1-CZ 2.9Å; D12-R718 IonicContact OD1-NH1 3.95Å; D12-R718 PolarHBondContact OD1-NH1 3.34Å; D12-R718 IonicContact OD2-CZ 3.95Å; D12-R718 IonicContact OD2-NH1 2.84Å; D12-R718 PolarHBondContact OD2-NH1 2.89Å; D12-R718 IonicContact OD2-NH2 2.68Å; D12-R718 PolarHBondContact OD2-NH2 2.79Å
13L92.5Very high91.1Very high12 Ų1227.5 Ų27.56%0.06315%0.153CC..Hα-helixtrans-59.4-36.9175.2-74.5174.9000111.7M1 C3 A9 K15 V16 A17 P674M1-L13 HydrophobicContact CE-CD2 3.47Å; M1-L13 VanDerWaalsContact CE-CD2 3.47Å; M1-L13 HydrophobicContact SD-CD2 3.77Å; C3-L13 HydrophobicContact CB-CD1 3.59Å; A9-L13 WeakPolarHBondContact O-CB 3.05Å; A9-L13 PolarHBondContact O-N 3.11Å; L13-K15 PolarHBondContact O-N 2.9Å; L13-V16 PolarHBondContact O-N 3.44Å; L13-A17 VanDerWaalsContact O-CB 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.43Å; L13-A17 PolarHBondContact O-N 2.84Å; L13-P674 HydrophobicContact CD1-CG 4.05Å; L13-P674 HydrophobicContact CD2-CB 4.17Å; L13-P674 HydrophobicContact CD2-CG 3.87Å; L13-P674 HydrophobicContact CG-CG 3.89Å
14A93.1Very high91.4Very high3 Ų325.9 Ų25.93%0.02514%0.141CC..Hα-helixtrans-67.7-9.8175.700000115M10 D12 F37 I40M10-A14 WeakPolarHBondContact O-CB 3.47Å; M10-A14 PolarHBondContact O-N 2.72Å; M10-A14 VanDerWaalsContact O-N 3.13Å; D12-A14 PolarHBondContact O-N 2.85Å; A14-F37 HydrophobicContact CB-CE2 4.13Å; A14-F37 HydrophobicContact CB-CZ 4.02Å; A14-I40 HydrophobicContact CB-CB 4.43Å; A14-I40 HydrophobicContact CB-CG2 3.51Å
15K92.5Very high91.7Very high7 Ų726 Ų263%0.0314%0.142CC..Hα-helixtrans-90.3-25.6169.9-60.1162.9-167.8171.80112.1I11 D12 L13 H44 Q120 S713 G715 W716I11-K15 VanDerWaalsContact O-CE 3.31Å; I11-K15 WeakPolarHBondContact O-CE 3.37Å; I11-K15 WeakPolarHBondContact O-CG 3.14Å; D12-K15 WeakPolarHBondContact O-CB 3.43Å; D12-K15 PolarHBondContact O-N 3.18Å; D12-K15 IonicContact OD1-NZ 2.74Å; D12-K15 PolarHBondContact OD1-NZ 2.86Å; L13-K15 PolarHBondContact O-N 2.9Å; K15-H44 HydrophobicContact CG-CB 4.23Å; K15-Q120 PolarHBondContact O-NE2 3.14Å; K15-S713 VanDerWaalsContact CE-OG 3.26Å; K15-S713 WeakPolarHBondContact CE-OG 3.45Å; K15-S713 PolarHBondContact NZ-OG 2.8Å; K15-S713 VanDerWaalsContact NZ-OG 3.13Å; K15-G715 VanDerWaalsContact CE-O 3.28Å; K15-G715 WeakPolarHBondContact CE-O 3.26Å; K15-G715 PolarHBondContact NZ-O 3.07Å; K15-G715 VanDerWaalsContact NZ-O 3.11Å; K15-W716 HydrophobicContact CB-CZ3 3.98Å; K15-W716 HydrophobicContact CD-CE3 4.22Å; K15-W716 HydrophobicContact CD-CZ3 4.45Å; K15-W716 PolarHBondContact NZ-O 2.95Å
16V92.5Very high92.1Very high5 Ų520.8 Ų20.83%0.0311%0.114CC..Hα-helixtrans-103.6-26.2-169.8166.80000112.9D12 L13 D18 Q120 Y125 I676 W716D12-V16 PolarHBondContact O-N 3.38Å; L13-V16 PolarHBondContact O-N 3.44Å; V16-D18 PolarHBondContact O-N 3.3Å; V16-Q120 PolarHBondContact O-NE2 2.8Å; V16-Y125 HydrophobicContact CB-CE2 4.37Å; V16-Y125 HydrophobicContact CG1-CD2 4.31Å; V16-Y125 HydrophobicContact CG1-CE2 3.97Å; V16-Y125 HydrophobicContact CG2-CD2 4.01Å; V16-Y125 HydrophobicContact CG2-CE2 4.2Å; V16-I676 HydrophobicContact CB-CD1 4.21Å; V16-I676 HydrophobicContact CG2-CD1 3.7Å; V16-I676 HydrophobicContact CG2-CG1 4.05Å; V16-I676 HydrophobicContact CG2-CG2 3.82Å; V16-W716 HydrophobicContact CG2-CH2 4.48Å; V16-W716 HydrophobicContact CG2-CZ3 4.04Å
17A92.9Very high92.2Very high22 Ų2223.9 Ų23.918%0.18214%0.136CC..  trans-74.2122.7-174.100000113.8L13 V20 P47L13-A17 VanDerWaalsContact O-CB 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.43Å; L13-A17 PolarHBondContact O-N 2.84Å; A17-V20 HydrophobicContact CB-CG2 4.07Å; A17-P47 VanDerWaalsContact O-CB 3.23Å; A17-P47 WeakPolarHBondContact O-CB 3.06Å
18D91.8Very high92.3Very high49 Ų4931.1 Ų31.126%0.26217%0.168SC..SBendtrans-78.2-35.7170.5-48.8-69.9000112V16 R48 F114 R157V16-D18 PolarHBondContact O-N 3.3Å; D18-R48 PolarHBondContact O-N 3.2Å; D18-R48 VanDerWaalsContact O-N 3.15Å; D18-F114 HydrophobicContact CB-CD1 4.29Å; D18-F114 HydrophobicContact CB-CG 4.32Å; D18-R157 IonicContact OD2-NH1 3.42Å; D18-R157 PolarHBondContact OD2-NH1 2.66Å
19L92.8Very high92.3Very high41 Ų4131.4 Ų31.422%0.21517%0.172CC..EExtended strand (participates in β ladder)trans-132.5135.8-179.8175.659.6000110.3R48 M50 I109 M112 F114L19-R48 CarbonylContact C-O 3.44Å; L19-R48 WeakPolarHBondContact CA-O 3.42Å; L19-R48 HydrophobicContact CD1-CB 4.1Å; L19-M50 HydrophobicContact CD1-CG 4.21Å; L19-I109 HydrophobicContact CD2-CG1 4.18Å; L19-I109 HydrophobicContact CD2-CG2 3.85Å; L19-M112 HydrophobicContact CD1-SD 3.75Å; L19-F114 HydrophobicContact CB-CE1 3.92Å; L19-F114 HydrophobicContact CD2-CE1 4.45Å
20V93.8Very high92.3Very high13 Ų1332.8 Ų32.88%0.07918%0.177CC..EExtended strand (participates in β ladder)trans-120.2124.2175.5-177.70000109.6A17 M22 F37 P47 R48 I49 M50A17-V20 HydrophobicContact CB-CG2 4.07Å; V20-M22 HydrophobicContact CG1-CG 3.81Å; V20-M22 HydrophobicContact CG1-SD 3.65Å; V20-F37 HydrophobicContact CB-CE1 4.42Å; V20-F37 HydrophobicContact CG1-CD1 4.32Å; V20-F37 HydrophobicContact CG1-CE1 3.62Å; V20-F37 HydrophobicContact CG1-CZ 4.31Å; V20-F37 HydrophobicContact CG2-CE1 3.93Å; V20-F37 HydrophobicContact CG2-CZ 4.35Å; V20-P47 HydrophobicContact CG2-CB 4.38Å; V20-P47 HydrophobicContact CG2-CG 3.57Å; V20-R48 PolarHBondContact N-O 3.21Å; V20-I49 HydrophobicContact CB-CG1 4.23Å; V20-I49 HydrophobicContact CB-CG2 4.43Å; V20-I49 WeakPolarHBondContact O-CA 3.26Å; V20-M50 PolarHBondContact O-N 2.77Å
21L94Very high92.2Very high74 Ų7436.7 Ų36.739%0.38720%0.195SC..EExtended strand (participates in β ladder)trans-93.697.1167.2-57.9-176.4000108.6L23 M50 I109L21-L23 PolarHBondContact O-N 2.87Å; L21-L23 VanDerWaalsContact O-N 3.16Å; L21-M50 HydrophobicContact CD2-CB 4.04Å; L21-M50 HydrophobicContact CD2-SD 4.39Å; L21-I109 HydrophobicContact CD1-CD1 4.17Å; L21-I109 HydrophobicContact CD2-CD1 4.14Å
22M93.6Very high91.9Very high16 Ų1640.2 Ų40.28%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-79.197.6177.7-70.9-65-6100109.8V20 T34 F37 L38 I49 M50 G51 V52V20-M22 HydrophobicContact CG1-CG 3.81Å; V20-M22 HydrophobicContact CG1-SD 3.65Å; M22-T34 HydrophobicContact CE-CG2 4.24Å; M22-F37 HydrophobicContact SD-CD1 3.73Å; M22-F37 HydrophobicContact SD-CE1 4.3Å; M22-F37 HydrophobicContact SD-CG 4.45Å; M22-L38 HydrophobicContact CE-CG 4.24Å; M22-I49 HydrophobicContact CB-CG2 4.21Å; M22-I49 HydrophobicContact CG-CG2 3.39Å; M22-M50 PolarHBondContact N-O 2.91Å; M22-G51 WeakPolarHBondContact O-CA 3.38Å; M22-V52 PolarHBondContact O-N 2.76Å
23L92.8Very high91.8Very high110 Ų11041.5 Ų41.558%0.57622%0.218SC*.EExtended strand (participates in β ladder)trans-65.7136.2167.6-54.5-173.7000109.7L21 V52L21-L23 PolarHBondContact O-N 2.87Å; L21-L23 VanDerWaalsContact O-N 3.16Å; L23-V52 HydrophobicContact CD2-CB 3.92Å; L23-V52 HydrophobicContact CD2-CG1 4.25Å; L23-V52 HydrophobicContact CD2-CG2 4.4Å
24I93.5Very high91.7Very high4 Ų441.8 Ų41.82%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-137.9121176.8-58.8163.2000107.2A26 F30 V52 L53 T54 F76I24-A26 PolarHBondContact O-N 2.67Å; I24-F30 HydrophobicContact CD1-CD1 4.41Å; I24-F30 HydrophobicContact CD1-CE1 3.59Å; I24-F30 HydrophobicContact CD1-CZ 3.67Å; I24-F30 HydrophobicContact CG1-CE1 4.25Å; I24-V52 PolarHBondContact N-O 2.98Å; I24-L53 HydrophobicContact CB-CD2 3.86Å; I24-L53 HydrophobicContact CG2-CD2 3.71Å; I24-L53 WeakPolarHBondContact O-CA 3.12Å; I24-T54 PolarHBondContact O-N 3.34Å; I24-T54 PolarHBondContact O-OG1 3.17Å; I24-F76 HydrophobicContact CD1-CD2 4.1Å; I24-F76 HydrophobicContact CD1-CE2 4.42Å
25D92.6Very high91.7Very high36 Ų3642.8 Ų42.819%0.19322%0.224CC..EExtended strand (participates in β ladder)trans-65.5121.9168.1175.222.9000109.5S27 F28 G29 H55D25-S27 VanDerWaalsContact C-N 3.27Å; D25-S27 PolarHBondContact O-N 3.45Å; D25-S27 VanDerWaalsContact OD1-CB 3.31Å; D25-S27 WeakPolarHBondContact OD1-CB 3.27Å; D25-S27 PolarHBondContact OD1-N 2.85Å; D25-S27 PolarHBondContact OD1-OG 2.82Å; D25-S27 PolarHBondContact OD2-OG 2.78Å; D25-F28 HydrophobicContact CB-CB 4.41Å; D25-F28 WeakPolarHBondContact OD2-CB 3.33Å; D25-F28 PolarHBondContact OD2-N 3.46Å; D25-G29 WeakPolarHBondContact O-CA 3.47Å; D25-G29 PolarHBondContact O-N 3.23Å; D25-H55 VanDerWaalsContact OD1-CB 3.31Å; D25-H55 WeakPolarHBondContact OD1-CB 3.39Å; D25-H55 IonicContact OD1-CG 3.65Å; D25-H55 IonicContact OD1-ND1 2.68Å; D25-H55 PolarHBondContact OD1-ND1 3.17Å
26A91.5Very high91.7Very high3 Ų342.6 Ų42.63%0.02522%0.223CC..THydrogen-bonded Turntrans-71.8-23.2175.200000113I24 L53 T54 L56 F59 T68 L72I24-A26 PolarHBondContact O-N 2.67Å; A26-L53 HydrophobicContact CB-CD2 4.02Å; A26-T54 WeakPolarHBondContact CB-O 3.19Å; A26-T54 PolarHBondContact N-O 3.33Å; A26-T54 VanDerWaalsContact N-O 3.11Å; A26-L56 HydrophobicContact CB-CD2 3.36Å; A26-L56 HydrophobicContact CB-CG 4.36Å; A26-F59 HydrophobicContact CB-CE2 3.99Å; A26-F59 WeakPolarHBondContact O-CE2 3.31Å; A26-F59 WeakPolarHBondContact O-CZ 3.5Å; A26-T68 WeakPolarHBondContact O-CG2 3.44Å; A26-L72 HydrophobicContact CB-CD1 4.37Å
27S88.9Confident91.7Very high68 Ų6843.3 Ų43.348%0.47623%0.226SC..THydrogen-bonded Turntrans-75.2-48.8-175.998.70000111.7D25D25-S27 VanDerWaalsContact C-N 3.27Å; D25-S27 PolarHBondContact O-N 3.45Å; D25-S27 VanDerWaalsContact OD1-CB 3.31Å; D25-S27 WeakPolarHBondContact OD1-CB 3.27Å; D25-S27 PolarHBondContact OD1-N 2.85Å; D25-S27 PolarHBondContact OD1-OG 2.82Å; D25-S27 PolarHBondContact OD2-OG 2.78Å
28F90.4Very high91.8Very high152 Ų15242.4 Ų42.467%0.66722%0.218SC*.THydrogen-bonded Turntrans-83.3-40.1174.8-170.6-92.8000112.3D25 E31D25-F28 HydrophobicContact CB-CB 4.41Å; D25-F28 WeakPolarHBondContact OD2-CB 3.33Å; D25-F28 PolarHBondContact OD2-N 3.46Å; F28-E31 HydrophobicContact CD1-CG 3.76Å; F28-E31 HydrophobicContact CE1-CG 3.85Å
29G90.2Very high91.9Very high10 Ų1040.3 Ų40.310%0.10321%0.207CC..  trans96.9-148.6-176.300000113.1D25 E31D25-G29 WeakPolarHBondContact O-CA 3.47Å; D25-G29 PolarHBondContact O-N 3.23Å; G29-E31 PolarHBondContact O-N 3.38Å
30F90.2Very high92Very high35 Ų3538.4 Ų38.415%0.15420%0.197CC..  trans-78.2117.3-177.9-79.2-88.6000112.4I24 F35 L72 R75 F76I24-F30 HydrophobicContact CD1-CD1 4.41Å; I24-F30 HydrophobicContact CD1-CE1 3.59Å; I24-F30 HydrophobicContact CD1-CZ 3.67Å; I24-F30 HydrophobicContact CG1-CE1 4.25Å; F30-F35 HydrophobicContact CB-CD2 4.31Å; F30-F35 HydrophobicContact CB-CE1 4.37Å; F30-F35 HydrophobicContact CB-CE2 3.43Å; F30-F35 VanDerWaalsContact CB-CE2 3.43Å; F30-F35 HydrophobicContact CB-CZ 3.45Å; F30-F35 VanDerWaalsContact CB-CZ 3.45Å; F30-F35 AromaticContact CD1-CE1 3.91Å; F30-F35 HydrophobicContact CD1-CE1 3.91Å; F30-F35 HydrophobicContact CD1-CE2 4.42Å; F30-F35 AromaticContact CD1-CZ 3.8Å; F30-F35 HydrophobicContact CD1-CZ 3.8Å; F30-F35 HydrophobicContact CD2-CZ 4.4Å; F30-F35 HydrophobicContact CE1-CE1 4.48Å; F30-F35 HydrophobicContact CG-CE1 4.22Å; F30-F35 HydrophobicContact CG-CE2 4.15Å; F30-F35 AromaticContact CG-CZ 3.64Å; F30-F35 HydrophobicContact CG-CZ 3.64Å; F30-L72 HydrophobicContact CD2-CD2 3.54Å; F30-L72 HydrophobicContact CE2-CB 4.17Å; F30-L72 HydrophobicContact CE2-CD2 3.69Å; F30-R75 HydrophobicContact CD2-CB 4.22Å; F30-R75 HydrophobicContact CD2-CG 3.82Å; F30-R75 HydrophobicContact CE2-CB 3.72Å; F30-R75 HydrophobicContact CE2-CG 3.72Å; F30-R75 HydrophobicContact CZ-CB 4.42Å; F30-R75 HydrophobicContact CZ-CG 4.35Å; F30-F76 HydrophobicContact CE1-CD2 4.38Å; F30-F76 HydrophobicContact CZ-CB 4.02Å; F30-F76 HydrophobicContact CZ-CD2 4.22Å
31E89.8Confident91.9Very high92 Ų9237.8 Ų37.843%0.4319%0.193SC..  trans-80.7159172.2-57-172.2144.600112.6F28 G29 E33 T34 F35F28-E31 HydrophobicContact CD1-CG 3.76Å; F28-E31 HydrophobicContact CE1-CG 3.85Å; G29-E31 PolarHBondContact O-N 3.38Å; E31-E33 PolarHBondContact O-N 3.44Å; E31-T34 HydrophobicContact CB-CG2 4.34Å; E31-T34 PolarHBondContact O-N 3.07Å; E31-T34 PolarHBondContact O-OG1 3.28Å; E31-F35 WeakPolarHBondContact O-CD2 3.28Å; E31-F35 PolarHBondContact O-N 3.01Å
32M88.8Confident91.8Very high81 Ų8138.4 Ų38.440%0.39919%0.194SC..Hα-helixtrans-61.8-32.3178.1-65.1-61.8-73.400112.3F35 E36 F774M32-F35 PolarHBondContact O-N 3.08Å; M32-E36 WeakPolarHBondContact O-CG 3.43Å; M32-E36 PolarHBondContact O-N 3.33Å; M32-F774 HydrophobicContact CE-CB 3.69Å; M32-F774 HydrophobicContact CE-CD2 3.94Å; M32-F774 HydrophobicContact CE-CG 4.31Å
33E89.4Confident91.8Very high39 Ų3938.9 Ų38.918%0.18220%0.197CC..Hα-helixtrans-71.4-39.8-177.9-52.4-162.1169.100111.3M10 E31 F35 E36 F37 R775M10-E33 HydrophobicContact CE-CB 4.14Å; E31-E33 PolarHBondContact O-N 3.44Å; E33-F35 VanDerWaalsContact C-N 3.25Å; E33-F35 PolarHBondContact O-N 3.02Å; E33-E36 PolarHBondContact O-N 3.44Å; E33-E36 VanDerWaalsContact O-N 3.07Å; E33-F37 PolarHBondContact O-N 3.43Å; E33-R775 IonicContact OE1-NH2 2.91Å
34T91.4Very high91.7Very high17 Ų1735 Ų3510%0.10418%0.177CC..Hα-helixtrans-58.2-38.3171710000112.2M22 E31 L38M22-T34 HydrophobicContact CE-CG2 4.24Å; E31-T34 HydrophobicContact CB-CG2 4.34Å; E31-T34 PolarHBondContact O-N 3.07Å; E31-T34 PolarHBondContact O-OG1 3.28Å; T34-L38 VanDerWaalsContact O-CG 3.3Å; T34-L38 WeakPolarHBondContact O-CG 3.27Å; T34-L38 PolarHBondContact O-N 2.82Å
35F91.9Very high91.5Very high24 Ų2435.9 Ų35.911%0.10519%0.186CC..Hα-helixtrans-73-34.7174.9-76.1-48.4000112.7F30 E31 M32 E33 L38 N39 R75 E79 W699 F774F30-F35 HydrophobicContact CB-CD2 4.31Å; F30-F35 HydrophobicContact CB-CE1 4.37Å; F30-F35 HydrophobicContact CB-CE2 3.43Å; F30-F35 VanDerWaalsContact CB-CE2 3.43Å; F30-F35 HydrophobicContact CB-CZ 3.45Å; F30-F35 VanDerWaalsContact CB-CZ 3.45Å; F30-F35 AromaticContact CD1-CE1 3.91Å; F30-F35 HydrophobicContact CD1-CE1 3.91Å; F30-F35 HydrophobicContact CD1-CE2 4.42Å; F30-F35 AromaticContact CD1-CZ 3.8Å; F30-F35 HydrophobicContact CD1-CZ 3.8Å; F30-F35 HydrophobicContact CD2-CZ 4.4Å; F30-F35 HydrophobicContact CE1-CE1 4.48Å; F30-F35 HydrophobicContact CG-CE1 4.22Å; F30-F35 HydrophobicContact CG-CE2 4.15Å; F30-F35 AromaticContact CG-CZ 3.64Å; F30-F35 HydrophobicContact CG-CZ 3.64Å; E31-F35 WeakPolarHBondContact O-CD2 3.28Å; E31-F35 PolarHBondContact O-N 3.01Å; M32-F35 PolarHBondContact O-N 3.08Å; E33-F35 VanDerWaalsContact C-N 3.25Å; E33-F35 PolarHBondContact O-N 3.02Å; F35-L38 HydrophobicContact CD1-CD1 4.47Å; F35-N39 PolarHBondContact O-N 2.77Å; F35-N39 PolarHBondContact O-ND2 2.94Å; F35-R75 HydrophobicContact CZ-CG 4.39Å; F35-E79 HydrophobicContact CE1-CG 4.17Å; F35-W699 HydrophobicContact CB-CE3 4.47Å; F35-W699 HydrophobicContact CB-CZ3 3.83Å; F35-W699 AromaticContact CD1-CH2 3.94Å; F35-W699 HydrophobicContact CD1-CH2 3.94Å; F35-W699 HydrophobicContact CD1-CZ3 4Å; F35-W699 HydrophobicContact CE1-CH2 4.41Å; F35-W699 HydrophobicContact CG-CH2 4.28Å; F35-W699 AromaticContact CG-CZ3 3.96Å; F35-W699 HydrophobicContact CG-CZ3 3.96Å; F35-F774 HydrophobicContact CB-CE2 4.45Å
36E92.6Very high91.4Very high3 Ų337.1 Ų37.11%0.01419%0.19CC..Hα-helixtrans-64.3-50.1174.7-75.7172.3179.600110.9M32 E33 L38 N39 I40 F774 R775 I776M32-E36 WeakPolarHBondContact O-CG 3.43Å; M32-E36 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.44Å; E33-E36 VanDerWaalsContact O-N 3.07Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-L38 PolarHBondContact O-N 3.05Å; E36-N39 PolarHBondContact O-N 3.45Å; E36-I40 VanDerWaalsContact O-CG1 3.32Å; E36-I40 WeakPolarHBondContact O-CG1 3.44Å; E36-I40 PolarHBondContact O-N 2.79Å; E36-F774 HydrophobicContact CB-CE2 4.35Å; E36-F774 HydrophobicContact CG-CD2 3.62Å; E36-F774 HydrophobicContact CG-CE2 3.41Å; E36-F774 VanDerWaalsContact CG-CE2 3.41Å; E36-F774 HydrophobicContact CG-CG 4.42Å; E36-F774 HydrophobicContact CG-CZ 4.06Å; E36-F774 WeakPolarHBondContact OE1-CA 3.28Å; E36-R775 WeakPolarHBondContact OE1-CB 3.29Å; E36-R775 PolarHBondContact OE1-N 3.31Å; E36-R775 IonicContact OE1-NE 2.77Å; E36-R775 IonicContact OE2-CZ 2.72Å; E36-R775 VanDerWaalsContact OE2-CZ 3.23Å; E36-R775 IonicContact OE2-NE 3.83Å; E36-R775 PolarHBondContact OE2-NE 2.62Å; E36-R775 IonicContact OE2-NH2 2.64Å; E36-R775 PolarHBondContact OE2-NH2 2.91Å; E36-I776 HydrophobicContact CB-CD1 3.81Å; E36-I776 HydrophobicContact CG-CD1 3.94Å; E36-I776 HydrophobicContact CG-CG1 4.39Å; E36-I776 WeakPolarHBondContact O-CD1 3.36Å
37F93.7Very high91.5Very high21 Ų2137.4 Ų37.49%0.09219%0.192CC..Hα-helixtrans-55.1-47.1176.5-165.8-86.8000112.2M10 A14 V20 M22 E33 N39 I40 C41M10-F37 HydrophobicContact CB-CD2 3.82Å; M10-F37 HydrophobicContact CB-CE2 4.27Å; M10-F37 HydrophobicContact CG-CD2 3.94Å; A14-F37 HydrophobicContact CB-CE2 4.13Å; A14-F37 HydrophobicContact CB-CZ 4.02Å; V20-F37 HydrophobicContact CB-CE1 4.42Å; V20-F37 HydrophobicContact CG1-CD1 4.32Å; V20-F37 HydrophobicContact CG1-CE1 3.62Å; V20-F37 HydrophobicContact CG1-CZ 4.31Å; V20-F37 HydrophobicContact CG2-CE1 3.93Å; V20-F37 HydrophobicContact CG2-CZ 4.35Å; M22-F37 HydrophobicContact SD-CD1 3.73Å; M22-F37 HydrophobicContact SD-CE1 4.3Å; M22-F37 HydrophobicContact SD-CG 4.45Å; E33-F37 PolarHBondContact O-N 3.43Å; F37-N39 VanDerWaalsContact C-N 3.33Å; F37-N39 PolarHBondContact O-N 3.3Å; F37-I40 WeakPolarHBondContact O-CB 3.43Å; F37-I40 PolarHBondContact O-N 3.31Å; F37-C41 WeakPolarHBondContact CE1-SG 3.42Å; F37-C41 PolarHBondContact O-N 2.93Å
38L93.8Very high91.6Very high2 Ų238.9 Ų38.91%0.0119%0.187CC..Hα-helixtrans-58-40.2175.6-74.7171.8000113.2M22 T34 F35 E36 Q42 I49 E79 V80M22-L38 HydrophobicContact CE-CG 4.24Å; T34-L38 VanDerWaalsContact O-CG 3.3Å; T34-L38 WeakPolarHBondContact O-CG 3.27Å; T34-L38 PolarHBondContact O-N 2.82Å; F35-L38 HydrophobicContact CD1-CD1 4.47Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-L38 PolarHBondContact O-N 3.05Å; L38-Q42 VanDerWaalsContact O-CG 3.26Å; L38-Q42 WeakPolarHBondContact O-CG 3.49Å; L38-Q42 PolarHBondContact O-N 3.19Å; L38-I49 HydrophobicContact CD2-CD1 3.61Å; L38-E79 HydrophobicContact CD1-CB 4.42Å; L38-V80 HydrophobicContact CD1-CG2 4.49Å; L38-V80 HydrophobicContact CD2-CG2 3.79Å
39N93.5Very high91.7Very high6 Ų631.7 Ų31.73%0.03216%0.155CC..Hα-helixtrans-76.5-22.1177.2-71.5-89.1000112.7F35 E36 F37 V43 H697 R698 W699 F774 I776F35-N39 PolarHBondContact O-N 2.77Å; F35-N39 PolarHBondContact O-ND2 2.94Å; E36-N39 PolarHBondContact O-N 3.45Å; F37-N39 VanDerWaalsContact C-N 3.33Å; F37-N39 PolarHBondContact O-N 3.3Å; N39-V43 VanDerWaalsContact O-CG2 3.31Å; N39-V43 WeakPolarHBondContact O-CG2 3.38Å; N39-H697 PolarHBondContact OD1-NE2 3.44Å; N39-R698 PolarHBondContact OD1-NH2 3.31Å; N39-R698 VanDerWaalsContact OD1-NH2 3.13Å; N39-W699 VanDerWaalsContact ND2-CZ3 3.31Å; N39-W699 WeakPolarHBondContact ND2-CZ3 3.38Å; N39-F774 HydrophobicContact CB-CZ 4.35Å; N39-I776 HydrophobicContact CB-CD1 4.34Å
40I94.6Very high91.8Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-70.4-50.3171.2-66.8162.4000109.7I7 M10 I11 A14 E36 F37 Q42 V43 H44 L762 I776I7-I40 HydrophobicContact CG1-CD1 4.36Å; M10-I40 HydrophobicContact CB-CD1 4.24Å; I11-I40 HydrophobicContact CG1-CD1 3.85Å; I11-I40 HydrophobicContact CG1-CG1 4.29Å; I11-I40 HydrophobicContact CG1-CG2 4.19Å; A14-I40 HydrophobicContact CB-CB 4.43Å; A14-I40 HydrophobicContact CB-CG2 3.51Å; E36-I40 VanDerWaalsContact O-CG1 3.32Å; E36-I40 WeakPolarHBondContact O-CG1 3.44Å; E36-I40 PolarHBondContact O-N 2.79Å; F37-I40 WeakPolarHBondContact O-CB 3.43Å; F37-I40 PolarHBondContact O-N 3.31Å; I40-Q42 VanDerWaalsContact C-N 3.32Å; I40-Q42 PolarHBondContact O-N 2.8Å; I40-V43 PolarHBondContact O-N 2.81Å; I40-H44 PolarHBondContact O-N 2.88Å; I40-L762 HydrophobicContact CG1-CD1 3.96Å; I40-L762 HydrophobicContact CG1-CD2 3.92Å; I40-I776 HydrophobicContact CD1-CD1 4.18Å; I40-I776 HydrophobicContact CG1-CD1 3.76Å
41C93.3Very high92Very high0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-57.2-42.3174.3-71.10000112.4F37 V43 G45 F46 P47F37-C41 WeakPolarHBondContact CE1-SG 3.42Å; F37-C41 PolarHBondContact O-N 2.93Å; C41-V43 PolarHBondContact O-N 3.48Å; C41-G45 CarbonylContact O-C 3.58Å; C41-G45 PolarHBondContact O-N 2.86Å; C41-G45 VanDerWaalsContact O-O 3.07Å; C41-F46 HydrophobicContact CB-CD2 4.06Å; C41-F46 HydrophobicContact CB-CE2 4.47Å; C41-F46 PolarHBondContact O-N 3.27Å; C41-P47 HydrophobicContact CB-CG 4.46Å
42Q91.9Very high92.2Very high87 Ų8725.5 Ų25.541%0.40712%0.124SC..Hα-helixtrans-61.1-15.5175.6-75.8174.76.500114.2L38 I40 F46 E79L38-Q42 VanDerWaalsContact O-CG 3.26Å; L38-Q42 WeakPolarHBondContact O-CG 3.49Å; L38-Q42 PolarHBondContact O-N 3.19Å; I40-Q42 VanDerWaalsContact C-N 3.32Å; I40-Q42 PolarHBondContact O-N 2.8Å; Q42-F46 HydrophobicContact CB-CD2 4.47Å; Q42-F46 HydrophobicContact CG-CD2 3.66Å; Q42-F46 HydrophobicContact CG-CE2 3.84Å; Q42-E79 PolarHBondContact NE2-O 3.49Å
43V92.1Very high92.5Very high26 Ų2621.7 Ų21.716%0.15811%0.105CC..Hα-helixtrans-103.4-43.4-178.3168.30000112.8N39 I40 C41 F761 L762 T779N39-V43 VanDerWaalsContact O-CG2 3.31Å; N39-V43 WeakPolarHBondContact O-CG2 3.38Å; I40-V43 PolarHBondContact O-N 2.81Å; C41-V43 PolarHBondContact O-N 3.48Å; V43-F761 VanDerWaalsContact CG1-O 3.31Å; V43-F761 WeakPolarHBondContact CG1-O 3.41Å; V43-L762 HydrophobicContact CG1-CB 4.31Å; V43-L762 HydrophobicContact CG2-CD1 4.44Å; V43-T779 HydrophobicContact CG2-CG2 3.59Å
44H91.1Very high92.6Very high30 Ų3020.2 Ų20.214%0.13910%0.099CC..Hα-helixtrans-85.8-21-178.9-72.2-52.2000113.5K15 I40 S713K15-H44 HydrophobicContact CG-CB 4.23Å; I40-H44 PolarHBondContact O-N 2.88Å; H44-S713 PolarHBondContact CE1-OG 3.09Å; H44-S713 PolarHBondContact NE2-OG 2.86Å
45G89.8Confident92.6Very high21 Ų2123.2 Ų23.222%0.21611%0.112CC..  trans141.3120.3179.300000109C41 P47C41-G45 CarbonylContact O-C 3.58Å; C41-G45 PolarHBondContact O-N 2.86Å; C41-G45 VanDerWaalsContact O-O 3.07Å; G45-P47 VanDerWaalsContact O-CD 3.22Å; G45-P47 WeakPolarHBondContact O-CD 3.44Å
46F91.1Very high92.5Very high62 Ų6222.6 Ų22.627%0.27211%0.109SC..  trans-80.6111.3-169.8-163.8-98.9000110.7C41 Q42 I49 V80C41-F46 HydrophobicContact CB-CD2 4.06Å; C41-F46 HydrophobicContact CB-CE2 4.47Å; C41-F46 PolarHBondContact O-N 3.27Å; Q42-F46 HydrophobicContact CB-CD2 4.47Å; Q42-F46 HydrophobicContact CG-CD2 3.66Å; Q42-F46 HydrophobicContact CG-CE2 3.84Å; F46-I49 HydrophobicContact CD2-CD1 4.4Å; F46-I49 HydrophobicContact CE1-CD1 4.07Å; F46-I49 HydrophobicContact CE1-CG1 4.15Å; F46-I49 HydrophobicContact CE2-CD1 3.64Å; F46-I49 HydrophobicContact CZ-CD1 3.46Å; F46-I49 VanDerWaalsContact CZ-CD1 3.46Å; F46-I49 HydrophobicContact CZ-CG1 4.02Å; F46-V80 HydrophobicContact CE1-CG1 4.19Å; F46-V80 HydrophobicContact CZ-CB 4.34Å; F46-V80 HydrophobicContact CZ-CG1 4Å; F46-V80 HydrophobicContact CZ-CG2 4.37Å
47P91.9Very high92.3Very high10 Ų1026.7 Ų26.77%0.06513%0.132CC..  trans-79.4-176.2-176.536.4-35.5000110.5A17 V20 C41 G45 I49A17-P47 VanDerWaalsContact O-CB 3.23Å; A17-P47 WeakPolarHBondContact O-CB 3.06Å; V20-P47 HydrophobicContact CG2-CB 4.38Å; V20-P47 HydrophobicContact CG2-CG 3.57Å; C41-P47 HydrophobicContact CB-CG 4.46Å; G45-P47 VanDerWaalsContact O-CD 3.22Å; G45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-I49 HydrophobicContact CG-CD1 4.49Å; P47-I49 HydrophobicContact CG-CG1 4.19Å; P47-I49 PolarHBondContact O-N 3.31Å
48R91.4Very high92Very high98 Ų9829.2 Ų29.237%0.3715%0.152SC..EExtended strand (participates in β ladder)trans-72.8130.3167.1-68.6-59.3-164.9-174.6-0.5109.1D18 L19 V20 M112 K113 F114D18-R48 PolarHBondContact O-N 3.2Å; D18-R48 VanDerWaalsContact O-N 3.15Å; L19-R48 CarbonylContact C-O 3.44Å; L19-R48 WeakPolarHBondContact CA-O 3.42Å; L19-R48 HydrophobicContact CD1-CB 4.1Å; V20-R48 PolarHBondContact N-O 3.21Å; R48-M112 HydrophobicContact CB-CE 3.92Å; R48-M112 HydrophobicContact CB-SD 3.48Å; R48-M112 WeakPolarHBondContact CB-SD 3.32Å; R48-M112 HydrophobicContact CG-CE 4.04Å; R48-M112 HydrophobicContact CG-CG 4.35Å; R48-M112 HydrophobicContact CG-SD 3.74Å; R48-K113 PolarHBondContact NE-O 3.02Å; R48-F114 HydrophobicContact CG-CD1 4.34Å
49I92.6Very high91.8Very high1 Ų131.2 Ų31.21%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-122.9122.4-179.3-51.5-165.1000109.7V20 M22 L38 F46 P47 F76 V80V20-I49 HydrophobicContact CB-CG1 4.23Å; V20-I49 HydrophobicContact CB-CG2 4.43Å; V20-I49 WeakPolarHBondContact O-CA 3.26Å; M22-I49 HydrophobicContact CB-CG2 4.21Å; M22-I49 HydrophobicContact CG-CG2 3.39Å; L38-I49 HydrophobicContact CD2-CD1 3.61Å; F46-I49 HydrophobicContact CD2-CD1 4.4Å; F46-I49 HydrophobicContact CE1-CD1 4.07Å; F46-I49 HydrophobicContact CE1-CG1 4.15Å; F46-I49 HydrophobicContact CE2-CD1 3.64Å; F46-I49 HydrophobicContact CZ-CD1 3.46Å; F46-I49 VanDerWaalsContact CZ-CD1 3.46Å; F46-I49 HydrophobicContact CZ-CG1 4.02Å; P47-I49 HydrophobicContact CG-CD1 4.49Å; P47-I49 HydrophobicContact CG-CG1 4.19Å; P47-I49 PolarHBondContact O-N 3.31Å; I49-F76 HydrophobicContact CG2-CE2 4.49Å; I49-F76 HydrophobicContact CG2-CZ 4.18Å; I49-V80 HydrophobicContact CB-CG1 4.33Å
50M92.7Very high91.5Very high6 Ų640.9 Ų40.93%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-106.9134.6166.6-63-172.5-175.900108.9L19 V20 L21 M22 F87 L105 F108 I109 M112L19-M50 HydrophobicContact CD1-CG 4.21Å; V20-M50 PolarHBondContact O-N 2.77Å; L21-M50 HydrophobicContact CD2-CB 4.04Å; L21-M50 HydrophobicContact CD2-SD 4.39Å; M22-M50 PolarHBondContact N-O 2.91Å; M50-F87 HydrophobicContact CB-CD2 4.5Å; M50-F87 HydrophobicContact CB-CE2 4.28Å; M50-F87 HydrophobicContact CG-CE2 4.33Å; M50-F87 HydrophobicContact SD-CE2 3.7Å; M50-F87 HydrophobicContact SD-CZ 4.38Å; M50-L105 HydrophobicContact SD-CD1 4.3Å; M50-F108 HydrophobicContact CE-CB 4.2Å; M50-F108 WeakPolarHBondContact CE-O 3.48Å; M50-I109 HydrophobicContact CE-CG1 4.42Å; M50-I109 HydrophobicContact SD-CG1 4.2Å; M50-M112 HydrophobicContact CE-CB 4.44Å; M50-M112 HydrophobicContact CE-CE 3.62Å; M50-M112 HydrophobicContact CE-SD 3.66Å
51G93.9Very high91.4Very high0 Ų046.2 Ų46.20%023%0.231CC..EExtended strand (participates in β ladder)trans-89.9145.6171.500000111.1M22 F76 K85 L86 F87M22-G51 WeakPolarHBondContact O-CA 3.38Å; G51-F76 VanDerWaalsContact N-CZ 3.33Å; G51-K85 PolarHBondContact N-O 2.87Å; G51-L86 CarbonylContact O-C 3.57Å; G51-L86 WeakPolarHBondContact O-CA 3.4Å; G51-F87 PolarHBondContact O-N 3.45Å
52V94.8Very high91.4Very high2 Ų251.7 Ų51.71%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-131.2117.5173.4-174.30000108.6M22 L23 I24 F87 L89 L105M22-V52 PolarHBondContact O-N 2.76Å; L23-V52 HydrophobicContact CD2-CB 3.92Å; L23-V52 HydrophobicContact CD2-CG1 4.25Å; L23-V52 HydrophobicContact CD2-CG2 4.4Å; I24-V52 PolarHBondContact N-O 2.98Å; V52-F87 HydrophobicContact CG2-CB 4.43Å; V52-L89 HydrophobicContact CG1-CD1 3.58Å; V52-L89 HydrophobicContact CG1-CG 3.67Å; V52-L105 HydrophobicContact CG2-CD2 4.32Å
53L94.3Very high91.4Very high0 Ų056.7 Ų56.70%028%0.28CS..EExtended strand (participates in β ladder)trans-91.4123.3175.2-78.9165.7000111I24 A26 L56 L72 L86 F87 Y88 L89I24-L53 HydrophobicContact CB-CD2 3.86Å; I24-L53 HydrophobicContact CG2-CD2 3.71Å; I24-L53 WeakPolarHBondContact O-CA 3.12Å; A26-L53 HydrophobicContact CB-CD2 4.02Å; L53-L56 HydrophobicContact CB-CD2 4.35Å; L53-L72 HydrophobicContact CD1-CB 4.44Å; L53-L72 HydrophobicContact CD2-CB 4.36Å; L53-L72 HydrophobicContact CD2-CD1 3.53Å; L53-L86 HydrophobicContact CD1-CD1 4.23Å; L53-L86 HydrophobicContact CD1-CD2 3.71Å; L53-L86 HydrophobicContact CD1-CG 3.99Å; L53-L86 HydrophobicContact CG-CD1 4.07Å; L53-L86 HydrophobicContact CG-CD2 4.42Å; L53-L86 HydrophobicContact CG-CG 4.36Å; L53-F87 PolarHBondContact N-O 3.15Å; L53-Y88 HydrophobicContact CB-CD1 4.14Å; L53-Y88 HydrophobicContact CD1-CD1 3.82Å; L53-Y88 HydrophobicContact CD1-CE1 3.59Å; L53-L89 PolarHBondContact O-N 2.86Å
54T92.8Very high91.3Very high8 Ų857.7 Ų57.75%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-107.7178.1178.259.20000111.7I24 A26 L56 L89 Y97I24-T54 PolarHBondContact O-N 3.34Å; I24-T54 PolarHBondContact O-OG1 3.17Å; A26-T54 WeakPolarHBondContact CB-O 3.19Å; A26-T54 PolarHBondContact N-O 3.33Å; A26-T54 VanDerWaalsContact N-O 3.11Å; T54-L56 VanDerWaalsContact C-N 3.29Å; T54-L56 PolarHBondContact O-N 3.08Å; T54-L89 HydrophobicContact CG2-CD1 4.48Å; T54-Y97 WeakPolarHBondContact CG2-OH 3.33Å
55H91.7Very high91.4Very high80 Ų8057.4 Ų57.437%0.3729%0.288SS..  trans5239.5177.4-52103.4000115D25 D57D25-H55 VanDerWaalsContact OD1-CB 3.31Å; D25-H55 WeakPolarHBondContact OD1-CB 3.39Å; D25-H55 IonicContact OD1-CG 3.65Å; D25-H55 IonicContact OD1-ND1 2.68Å; D25-H55 PolarHBondContact OD1-ND1 3.17Å; H55-D57 VanDerWaalsContact C-N 3.28Å; H55-D57 VanDerWaalsContact CA-OD1 3.26Å; H55-D57 WeakPolarHBondContact CA-OD1 3.23Å; H55-D57 PolarHBondContact O-N 3.11Å
56L88.8Confident91.5Very high11 Ų1165.8 Ų65.86%0.05831%0.313CS..  trans-75.3-19.5179.1-62.7176000113.3A26 L53 T54 L65 K69 Y88 L89A26-L56 HydrophobicContact CB-CD2 3.36Å; A26-L56 HydrophobicContact CB-CG 4.36Å; L53-L56 HydrophobicContact CB-CD2 4.35Å; T54-L56 VanDerWaalsContact C-N 3.29Å; T54-L56 PolarHBondContact O-N 3.08Å; L56-L65 HydrophobicContact CB-CD1 4.15Å; L56-L65 HydrophobicContact CD2-CD1 3.76Å; L56-K69 VanDerWaalsContact CD1-CE 3.49Å; L56-K69 HydrophobicContact CD2-CG 4.4Å; L56-Y88 HydrophobicContact CD1-CD1 4.18Å; L56-Y88 HydrophobicContact CD1-CG 4.35Å; L56-L89 VanDerWaalsContact CD1-O 3.3Å; L56-L89 WeakPolarHBondContact CD1-O 3.04Å
57D88.3Confident91.7Very high90 Ų9070.1 Ų70.148%0.48133%0.332SS..THydrogen-bonded Turntrans-63.9-34.9172.355.4-7000113.7H55 F59 G91H55-D57 VanDerWaalsContact C-N 3.28Å; H55-D57 VanDerWaalsContact CA-OD1 3.26Å; H55-D57 WeakPolarHBondContact CA-OD1 3.23Å; H55-D57 PolarHBondContact O-N 3.11Å; D57-F59 PolarHBondContact O-N 2.8Å; D57-G91 WeakPolarHBondContact OD2-CA 3.47Å
58S88.4Confident91.7Very high73 Ų7371.4 Ų71.451%0.5134%0.339SS..THydrogen-bonded Turntrans-59.7-18.1179-66.70000112.9K60S58-K60 PolarHBondContact O-N 3.23Å
59F88.2Confident91.8Very high44 Ų4469.2 Ų69.219%0.19333%0.333CS..  trans-85.888.2176-71.4-83.8000113.3A26 D57 N61 L65 T68A26-F59 HydrophobicContact CB-CE2 3.99Å; A26-F59 WeakPolarHBondContact O-CE2 3.31Å; A26-F59 WeakPolarHBondContact O-CZ 3.5Å; D57-F59 PolarHBondContact O-N 2.8Å; F59-N61 PolarHBondContact O-N 3.39Å; F59-L65 HydrophobicContact CB-CB 3.93Å; F59-L65 HydrophobicContact CB-CD1 4.02Å; F59-L65 HydrophobicContact CB-CG 4.43Å; F59-L65 HydrophobicContact CD2-CD1 3.79Å; F59-L65 HydrophobicContact CG-CB 4.29Å; F59-L65 HydrophobicContact CG-CD1 4.01Å; F59-T68 HydrophobicContact CZ-CG2 3.97Å
60K88.4Confident91.9Very high210 Ų21077 Ų7791%0.91337%0.366SS*.SBendtrans-53.2-15.8170.4-58.1-172.8-179.3-174.60115.3S58S58-K60 PolarHBondContact O-N 3.23Å
61N92.7Very high92Very high111 Ų11180.8 Ų80.859%0.59439%0.39SS*.  trans-120.5110-175.4-90.5-42.7000112.3F59 K63 S64 L65F59-N61 PolarHBondContact O-N 3.39Å; N61-K63 VanDerWaalsContact C-N 3.25Å; N61-K63 PolarHBondContact O-N 2.66Å; N61-S64 WeakPolarHBondContact CB-OG 3.28Å; N61-S64 PolarHBondContact O-N 2.68Å; N61-S64 VanDerWaalsContact O-N 3.11Å; N61-S64 PolarHBondContact O-OG 3.01Å; N61-L65 PolarHBondContact O-N 3.1Å
62N91.6Very high92Very high115 Ų11581.5 Ų81.562%0.61539%0.394SS*.Hα-helixtrans-57.6-31179-85.1-40.1000114.5R66N62-R66 WeakPolarHBondContact O-CG 3.47Å; N62-R66 PolarHBondContact O-N 3.03Å; N62-R66 VanDerWaalsContact O-N 3.1Å
63K92.9Very high92Very high193 Ų19384.8 Ų84.884%0.83941%0.408SS*.Hα-helixtrans-69.7-40.1176.7-71-176.9179.8176.70112.3N61 K67N61-K63 VanDerWaalsContact C-N 3.25Å; N61-K63 PolarHBondContact O-N 2.66Å; K63-K67 PolarHBondContact O-N 3.15Å
64S90.7Very high92Very high46 Ų4690.3 Ų90.332%0.32243%0.433SS..Hα-helixtrans-70.1-42.817336.90000111.4N61 R66 K67 T68N61-S64 WeakPolarHBondContact CB-OG 3.28Å; N61-S64 PolarHBondContact O-N 2.68Å; N61-S64 VanDerWaalsContact O-N 3.11Å; N61-S64 PolarHBondContact O-OG 3.01Å; S64-R66 PolarHBondContact O-N 3.23Å; S64-K67 CarbonylContact O-C 3.57Å; S64-K67 WeakPolarHBondContact O-CA 3.33Å; S64-K67 WeakPolarHBondContact O-CB 3.43Å; S64-K67 PolarHBondContact O-N 3.07Å; S64-T68 PolarHBondContact O-N 2.87Å; S64-T68 PolarHBondContact O-OG1 2.98Å
65L92.4Very high92Very high25 Ų2593.5 Ų93.513%0.13144%0.444CS..Hα-helixtrans-53.3-49.9176.718061.4000111.9L56 F59 N61 K67 T68 K69L56-L65 HydrophobicContact CB-CD1 4.15Å; L56-L65 HydrophobicContact CD2-CD1 3.76Å; F59-L65 HydrophobicContact CB-CB 3.93Å; F59-L65 HydrophobicContact CB-CD1 4.02Å; F59-L65 HydrophobicContact CB-CG 4.43Å; F59-L65 HydrophobicContact CD2-CD1 3.79Å; F59-L65 HydrophobicContact CG-CB 4.29Å; F59-L65 HydrophobicContact CG-CD1 4.01Å; N61-L65 PolarHBondContact O-N 3.1Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.05Å; L65-T68 PolarHBondContact O-N 2.92Å; L65-K69 HydrophobicContact CD1-CG 4.42Å; L65-K69 WeakPolarHBondContact O-CB 3.45Å; L65-K69 WeakPolarHBondContact O-CG 3.19Å; L65-K69 PolarHBondContact O-N 2.77Å
66R92.6Very high92.1Very high197 Ų19789.8 Ų89.874%0.74343%0.427SS*.Hα-helixtrans-62.5-37.3176.6-70.7179.6-176.7-162.91.1112.7N62 S64 K70N62-R66 WeakPolarHBondContact O-CG 3.47Å; N62-R66 PolarHBondContact O-N 3.03Å; N62-R66 VanDerWaalsContact O-N 3.1Å; S64-R66 PolarHBondContact O-N 3.23Å; R66-K70 PolarHBondContact O-N 2.98Å; R66-K70 VanDerWaalsContact O-N 3.15Å
67K93.9Very high92.4Very high153 Ų15392.1 Ų92.167%0.66544%0.435SS*.Hα-helixtrans-67.5-49.5176.5-172.5-178.9177.7-175.10111.4K63 S64 L65 K70 T71K63-K67 PolarHBondContact O-N 3.15Å; S64-K67 CarbonylContact O-C 3.57Å; S64-K67 WeakPolarHBondContact O-CA 3.33Å; S64-K67 WeakPolarHBondContact O-CB 3.43Å; S64-K67 PolarHBondContact O-N 3.07Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K67 PolarHBondContact O-N 3.05Å; K67-K70 PolarHBondContact O-N 2.81Å; K67-T71 PolarHBondContact O-N 2.82Å; K67-T71 PolarHBondContact O-OG1 2.83Å
68T93.1Very high92.6Very high37 Ų3791.4 Ų91.423%0.22743%0.434CS..Hα-helixtrans-60.3-48.4178.1-58.20000111A26 F59 S64 L65 K70 T71 L72A26-T68 WeakPolarHBondContact O-CG2 3.44Å; F59-T68 HydrophobicContact CZ-CG2 3.97Å; S64-T68 PolarHBondContact O-N 2.87Å; S64-T68 PolarHBondContact O-OG1 2.98Å; L65-T68 PolarHBondContact O-N 2.92Å; T68-K70 VanDerWaalsContact C-N 3.31Å; T68-K70 PolarHBondContact O-N 3.18Å; T68-T71 PolarHBondContact O-N 3.03Å; T68-T71 VanDerWaalsContact O-N 3.15Å; T68-L72 HydrophobicContact CG2-CD1 3.66Å; T68-L72 HydrophobicContact CG2-CG 4.06Å; T68-L72 WeakPolarHBondContact O-CB 3.3Å; T68-L72 WeakPolarHBondContact O-CG 3.41Å; T68-L72 PolarHBondContact O-N 3.39Å
69K93.7Very high92.7Very high52 Ų5288.8 Ų88.823%0.22641%0.414CS..Hα-helixtrans-52.7-46172.9-75.8-172.4174.9-161.20112L56 L65 K73 Y88L56-K69 VanDerWaalsContact CD1-CE 3.49Å; L56-K69 HydrophobicContact CD2-CG 4.4Å; L65-K69 HydrophobicContact CD1-CG 4.42Å; L65-K69 WeakPolarHBondContact O-CB 3.45Å; L65-K69 WeakPolarHBondContact O-CG 3.19Å; L65-K69 PolarHBondContact O-N 2.77Å; K69-K73 WeakPolarHBondContact O-CB 3.46Å; K69-K73 PolarHBondContact O-N 3.21Å; K69-Y88 HydrophobicContact CB-CE1 4.07Å; K69-Y88 HydrophobicContact CD-CD1 3.6Å; K69-Y88 HydrophobicContact CD-CE1 3.52Å; K69-Y88 HydrophobicContact CD-CG 4.35Å; K69-Y88 HydrophobicContact CG-CD1 4.01Å; K69-Y88 HydrophobicContact CG-CE1 3.69Å
70K94Very high92.9Very high165 Ų16587.8 Ų87.872%0.71741%0.411SS*.Hα-helixtrans-65.8-41.7178-171.9171.3-178.2173.50112.8R66 K67 T68 H74R66-K70 PolarHBondContact O-N 2.98Å; R66-K70 VanDerWaalsContact O-N 3.15Å; K67-K70 PolarHBondContact O-N 2.81Å; T68-K70 VanDerWaalsContact C-N 3.31Å; T68-K70 PolarHBondContact O-N 3.18Å; K70-H74 WeakPolarHBondContact O-CB 3.5Å; K70-H74 PolarHBondContact O-N 2.95Å
71T94.4Very high92.9Very high85 Ų8582.2 Ų82.252%0.52139%0.385SS..Hα-helixtrans-66.4-47177.8-67.20000111.9K67 T68 H74 R75K67-T71 PolarHBondContact O-N 2.82Å; K67-T71 PolarHBondContact O-OG1 2.83Å; T68-T71 PolarHBondContact O-N 3.03Å; T68-T71 VanDerWaalsContact O-N 3.15Å; T71-H74 PolarHBondContact O-N 3.41Å; T71-R75 WeakPolarHBondContact O-CB 3.43Å; T71-R75 PolarHBondContact O-N 3.23Å
72L94Very high92.8Very high15 Ų1583.5 Ų83.58%0.07939%0.388CS..Hα-helixtrans-65.5-41.2178.2-64.4177.3000111.2A26 F30 L53 T68 H74 R75 F76A26-L72 HydrophobicContact CB-CD1 4.37Å; F30-L72 HydrophobicContact CD2-CD2 3.54Å; F30-L72 HydrophobicContact CE2-CB 4.17Å; F30-L72 HydrophobicContact CE2-CD2 3.69Å; L53-L72 HydrophobicContact CD1-CB 4.44Å; L53-L72 HydrophobicContact CD2-CB 4.36Å; L53-L72 HydrophobicContact CD2-CD1 3.53Å; T68-L72 HydrophobicContact CG2-CD1 3.66Å; T68-L72 HydrophobicContact CG2-CG 4.06Å; T68-L72 WeakPolarHBondContact O-CB 3.3Å; T68-L72 WeakPolarHBondContact O-CG 3.41Å; T68-L72 PolarHBondContact O-N 3.39Å; L72-H74 PolarHBondContact O-N 2.93Å; L72-R75 PolarHBondContact O-N 2.76Å; L72-F76 WeakPolarHBondContact O-CB 3.45Å; L72-F76 PolarHBondContact O-N 2.98Å
73K94.5Very high92.7Very high71 Ų7179.9 Ų79.931%0.30938%0.377SS..Hα-helixtrans-59.1-46.8174-166.2-174.4-165.7-160.60112.6K69 R75 F76 W77 L86K69-K73 WeakPolarHBondContact O-CB 3.46Å; K69-K73 PolarHBondContact O-N 3.21Å; K73-R75 VanDerWaalsContact C-N 3.32Å; K73-R75 PolarHBondContact O-N 3.13Å; K73-F76 PolarHBondContact O-N 2.7Å; K73-W77 HydrophobicContact CD-CH2 4.27Å; K73-W77 HydrophobicContact CD-CZ2 3.93Å; K73-W77 HydrophobicContact CG-CD2 4.31Å; K73-W77 HydrophobicContact CG-CZ2 4.16Å; K73-W77 VanDerWaalsContact O-CG 3.27Å; K73-W77 PolarHBondContact O-N 3.12Å; K73-L86 HydrophobicContact CB-CD2 3.7Å; K73-L86 HydrophobicContact CG-CD2 3.85Å
74H94.3Very high92.6Very high115 Ų11570.7 Ų70.753%0.53234%0.338SS..Hα-helixtrans-64.9-37.1176.4-169.1-44.2000111.6K70 T71 L72 W77 T78K70-H74 WeakPolarHBondContact O-CB 3.5Å; K70-H74 PolarHBondContact O-N 2.95Å; T71-H74 PolarHBondContact O-N 3.41Å; L72-H74 PolarHBondContact O-N 2.93Å; H74-W77 PolarHBondContact O-N 3.42Å; H74-T78 WeakPolarHBondContact O-CG2 3.23Å; H74-T78 PolarHBondContact O-N 3.16Å; H74-T78 VanDerWaalsContact O-N 3.12Å; H74-T78 PolarHBondContact O-OG1 2.61Å
75R93.1Very high92.6Very high76 Ų7674.3 Ų74.329%0.28735%0.347SS..Hα-helixtrans-66.9-42.8177.1-173.669.7-169.7112.69.2111.7F30 F35 T71 L72 K73 T78 E79F30-R75 HydrophobicContact CD2-CB 4.22Å; F30-R75 HydrophobicContact CD2-CG 3.82Å; F30-R75 HydrophobicContact CE2-CB 3.72Å; F30-R75 HydrophobicContact CE2-CG 3.72Å; F30-R75 HydrophobicContact CZ-CB 4.42Å; F30-R75 HydrophobicContact CZ-CG 4.35Å; F35-R75 HydrophobicContact CZ-CG 4.39Å; T71-R75 WeakPolarHBondContact O-CB 3.43Å; T71-R75 PolarHBondContact O-N 3.23Å; L72-R75 PolarHBondContact O-N 2.76Å; K73-R75 VanDerWaalsContact C-N 3.32Å; K73-R75 PolarHBondContact O-N 3.13Å; R75-T78 WeakPolarHBondContact CA-OG1 3.33Å; R75-T78 PolarHBondContact NH1-OG1 3.31Å; R75-T78 PolarHBondContact O-N 3.13Å; R75-T78 PolarHBondContact O-OG1 2.87Å; R75-E79 IonicContact CZ-OE1 3.17Å; R75-E79 VanDerWaalsContact NH1-CG 3.34Å; R75-E79 IonicContact NH1-OE1 2.72Å; R75-E79 PolarHBondContact NH1-OE1 3.33Å; R75-E79 IonicContact NH2-OE1 3.76Å; R75-E79 PolarHBondContact NH2-OE1 3.3Å
76F94.4Very high92.6Very high2 Ų273.9 Ų73.91%0.00935%0.345CS..Hα-helixtrans-57-49.6173.3-168.3-113.8000111.3I24 F30 I49 G51 L72 K73 T78 E79 V80 A84 L86I24-F76 HydrophobicContact CD1-CD2 4.1Å; I24-F76 HydrophobicContact CD1-CE2 4.42Å; F30-F76 HydrophobicContact CE1-CD2 4.38Å; F30-F76 HydrophobicContact CZ-CB 4.02Å; F30-F76 HydrophobicContact CZ-CD2 4.22Å; I49-F76 HydrophobicContact CG2-CE2 4.49Å; I49-F76 HydrophobicContact CG2-CZ 4.18Å; G51-F76 VanDerWaalsContact N-CZ 3.33Å; L72-F76 WeakPolarHBondContact O-CB 3.45Å; L72-F76 PolarHBondContact O-N 2.98Å; K73-F76 PolarHBondContact O-N 2.7Å; F76-T78 VanDerWaalsContact C-N 3.26Å; F76-T78 PolarHBondContact O-N 2.63Å; F76-E79 PolarHBondContact O-N 3Å; F76-E79 VanDerWaalsContact O-N 3.11Å; F76-V80 HydrophobicContact CD2-CG2 4.02Å; F76-V80 HydrophobicContact CE1-CB 4.5Å; F76-V80 HydrophobicContact CE1-CG1 4.44Å; F76-V80 HydrophobicContact CE1-CG2 4.39Å; F76-V80 HydrophobicContact CE2-CG2 3.72Å; F76-V80 HydrophobicContact CG-CG2 4.47Å; F76-V80 HydrophobicContact CZ-CB 4.45Å; F76-V80 HydrophobicContact CZ-CG1 4.4Å; F76-V80 HydrophobicContact CZ-CG2 3.92Å; F76-V80 PolarHBondContact O-N 2.91Å; F76-A84 HydrophobicContact CD1-CB 4.03Å; F76-A84 HydrophobicContact CE1-CB 3.72Å; F76-L86 HydrophobicContact CD1-CD1 4.49Å
77W94.7Very high92.7Very high60 Ų6065.9 Ų65.923%0.22732%0.316CS..Hα-helixtrans-58-33.5176.2-70.9-10.2000114K73 H74 E79 Y81 A84K73-W77 HydrophobicContact CD-CH2 4.27Å; K73-W77 HydrophobicContact CD-CZ2 3.93Å; K73-W77 HydrophobicContact CG-CD2 4.31Å; K73-W77 HydrophobicContact CG-CZ2 4.16Å; K73-W77 VanDerWaalsContact O-CG 3.27Å; K73-W77 PolarHBondContact O-N 3.12Å; H74-W77 PolarHBondContact O-N 3.42Å; W77-E79 VanDerWaalsContact C-N 3.32Å; W77-E79 PolarHBondContact O-N 3.01Å; W77-Y81 WeakPolarHBondContact CA-O 3.48Å; W77-Y81 CarbonylContact O-C 3.39Å; W77-A84 PolarHBondContact NE1-O 2.92Å
78T92.9Very high92.7Very high74 Ų7462 Ų6245%0.45430%0.298SS..THydrogen-bonded Turntrans-76-9.7177.655.70000115.6H74 R75 F76H74-T78 WeakPolarHBondContact O-CG2 3.23Å; H74-T78 PolarHBondContact O-N 3.16Å; H74-T78 VanDerWaalsContact O-N 3.12Å; H74-T78 PolarHBondContact O-OG1 2.61Å; R75-T78 WeakPolarHBondContact CA-OG1 3.33Å; R75-T78 PolarHBondContact NH1-OG1 3.31Å; R75-T78 PolarHBondContact O-N 3.13Å; R75-T78 PolarHBondContact O-OG1 2.87Å; F76-T78 VanDerWaalsContact C-N 3.26Å; F76-T78 PolarHBondContact O-N 2.63Å
79E90.5Very high92.6Very high19 Ų1960.9 Ų60.99%0.08929%0.29CS..THydrogen-bonded Turntrans-122.7-18.7-178.9-61.7-68.6168.500113.7F35 L38 Q42 R75 F76 W77 R698 W699F35-E79 HydrophobicContact CE1-CG 4.17Å; L38-E79 HydrophobicContact CD1-CB 4.42Å; Q42-E79 PolarHBondContact NE2-O 3.49Å; R75-E79 IonicContact CZ-OE1 3.17Å; R75-E79 VanDerWaalsContact NH1-CG 3.34Å; R75-E79 IonicContact NH1-OE1 2.72Å; R75-E79 PolarHBondContact NH1-OE1 3.33Å; R75-E79 IonicContact NH2-OE1 3.76Å; R75-E79 PolarHBondContact NH2-OE1 3.3Å; F76-E79 PolarHBondContact O-N 3Å; F76-E79 VanDerWaalsContact O-N 3.11Å; W77-E79 VanDerWaalsContact C-N 3.32Å; W77-E79 PolarHBondContact O-N 3.01Å; E79-R698 IonicContact OE1-CZ 2.7Å; E79-R698 IonicContact OE1-NH1 2.86Å; E79-R698 PolarHBondContact OE1-NH1 3.33Å; E79-R698 IonicContact OE2-CZ 2.99Å; E79-R698 VanDerWaalsContact OE2-CZ 3.28Å; E79-R698 IonicContact OE2-NH1 3.12Å; E79-R698 PolarHBondContact OE2-NH1 2.91Å; E79-R698 IonicContact OE2-NH2 3.53Å; E79-R698 PolarHBondContact OE2-NH2 3.49Å; E79-W699 WeakPolarHBondContact OE1-CH2 3.36Å; E79-W699 WeakPolarHBondContact OE1-CZ2 3.28Å
80V91.1Very high92.4Very high22 Ų2260.8 Ų60.813%0.13330%0.296CS..SBendtrans-103.1-86176.9175.10000109.3L38 F46 I49 F76 A84L38-V80 HydrophobicContact CD1-CG2 4.49Å; L38-V80 HydrophobicContact CD2-CG2 3.79Å; F46-V80 HydrophobicContact CE1-CG1 4.19Å; F46-V80 HydrophobicContact CZ-CB 4.34Å; F46-V80 HydrophobicContact CZ-CG1 4Å; F46-V80 HydrophobicContact CZ-CG2 4.37Å; I49-V80 HydrophobicContact CB-CG1 4.33Å; F76-V80 HydrophobicContact CD2-CG2 4.02Å; F76-V80 HydrophobicContact CE1-CB 4.5Å; F76-V80 HydrophobicContact CE1-CG1 4.44Å; F76-V80 HydrophobicContact CE1-CG2 4.39Å; F76-V80 HydrophobicContact CE2-CG2 3.72Å; F76-V80 HydrophobicContact CG-CG2 4.47Å; F76-V80 HydrophobicContact CZ-CB 4.45Å; F76-V80 HydrophobicContact CZ-CG1 4.4Å; F76-V80 HydrophobicContact CZ-CG2 3.92Å; F76-V80 PolarHBondContact O-N 2.91Å; V80-A84 HydrophobicContact CB-CB 4.36Å; V80-A84 HydrophobicContact CG1-CB 3.8Å
81Y89.6Confident91.9Very high93 Ų9353.9 Ų53.937%0.36527%0.271SS..  trans-160.8157.616656-90.6000109.9W77 G83 A84W77-Y81 WeakPolarHBondContact CA-O 3.48Å; W77-Y81 CarbonylContact O-C 3.39Å; Y81-G83 PolarHBondContact O-N 3.25Å; Y81-A84 HydrophobicContact CD1-CB 4.2Å; Y81-A84 HydrophobicContact CD2-CB 3.98Å; Y81-A84 HydrophobicContact CE1-CB 4Å; Y81-A84 HydrophobicContact CE2-CB 3.8Å; Y81-A84 HydrophobicContact CG-CB 4.17Å; Y81-A84 VanDerWaalsContact O-CB 3.32Å; Y81-A84 WeakPolarHBondContact O-CB 3.15Å; Y81-A84 PolarHBondContact O-N 3.16Å; Y81-A84 VanDerWaalsContact O-N 3.14Å
82Q91.3Very high91.6Very high139 Ų13954.8 Ų54.865%0.6527%0.271SS*.THydrogen-bonded Turntrans-62126.4178.6-173.767.31.200110.2
83G89.4Confident91.2Very high39 Ų3957.6 Ų57.640%0.40229%0.289SS..THydrogen-bonded Turntrans85.91.6-17800000115.6Y81 K85Y81-G83 PolarHBondContact O-N 3.25Å; G83-K85 PolarHBondContact O-N 3.41Å
84A90.3Very high90.8Very high0 Ų065.7 Ų65.70%032%0.319CS..  trans-50.6139.5174.200000112.3F76 W77 V80 Y81F76-A84 HydrophobicContact CD1-CB 4.03Å; F76-A84 HydrophobicContact CE1-CB 3.72Å; W77-A84 PolarHBondContact NE1-O 2.92Å; V80-A84 HydrophobicContact CB-CB 4.36Å; V80-A84 HydrophobicContact CG1-CB 3.8Å; Y81-A84 HydrophobicContact CD1-CB 4.2Å; Y81-A84 HydrophobicContact CD2-CB 3.98Å; Y81-A84 HydrophobicContact CE1-CB 4Å; Y81-A84 HydrophobicContact CE2-CB 3.8Å; Y81-A84 HydrophobicContact CG-CB 4.17Å; Y81-A84 VanDerWaalsContact O-CB 3.32Å; Y81-A84 WeakPolarHBondContact O-CB 3.15Å; Y81-A84 PolarHBondContact O-N 3.16Å; Y81-A84 VanDerWaalsContact O-N 3.14Å
85K90.6Very high90.4Very high121 Ų12163 Ų6353%0.52632%0.322SS..  trans-75.1138.3-174.7-57.5-68.3-174.5173.60110.1G51 G83 F87G51-K85 PolarHBondContact N-O 2.87Å; G83-K85 PolarHBondContact O-N 3.41Å; K85-F87 HydrophobicContact CB-CE2 4.25Å
86L93.2Very high90.2Very high16 Ų1666 Ų668%0.08434%0.339CS..EExtended strand (participates in β ladder)trans-138.5112.5-176.2-17763.3000108.1G51 L53 K73 F76G51-L86 CarbonylContact O-C 3.57Å; G51-L86 WeakPolarHBondContact O-CA 3.4Å; L53-L86 HydrophobicContact CD1-CD1 4.23Å; L53-L86 HydrophobicContact CD1-CD2 3.71Å; L53-L86 HydrophobicContact CD1-CG 3.99Å; L53-L86 HydrophobicContact CG-CD1 4.07Å; L53-L86 HydrophobicContact CG-CD2 4.42Å; L53-L86 HydrophobicContact CG-CG 4.36Å; K73-L86 HydrophobicContact CB-CD2 3.7Å; K73-L86 HydrophobicContact CG-CD2 3.85Å; F76-L86 HydrophobicContact CD1-CD1 4.49Å
87F94.3Very high90.2Very high29 Ų2969 Ų6913%0.12735%0.351CS..EExtended strand (participates in β ladder)trans-86.5163.2178.8-63.3-85.1000110.8M50 G51 V52 L53 K85 L105 F108M50-F87 HydrophobicContact CB-CD2 4.5Å; M50-F87 HydrophobicContact CB-CE2 4.28Å; M50-F87 HydrophobicContact CG-CE2 4.33Å; M50-F87 HydrophobicContact SD-CE2 3.7Å; M50-F87 HydrophobicContact SD-CZ 4.38Å; G51-F87 PolarHBondContact O-N 3.45Å; V52-F87 HydrophobicContact CG2-CB 4.43Å; L53-F87 PolarHBondContact N-O 3.15Å; K85-F87 HydrophobicContact CB-CE2 4.25Å; F87-L105 HydrophobicContact CD1-CD1 4.27Å; F87-L105 HydrophobicContact CD2-CD1 3.59Å; F87-L105 HydrophobicContact CE1-CD1 4.42Å; F87-L105 HydrophobicContact CE2-CD1 3.76Å; F87-L105 HydrophobicContact CG-CD1 3.88Å; F87-L105 HydrophobicContact CZ-CD1 4.18Å; F87-F108 HydrophobicContact CE1-CB 4.29Å; F87-F108 AromaticContact CE1-CD2 3.5Å; F87-F108 HydrophobicContact CE1-CD2 3.5Å; F87-F108 VanDerWaalsContact CE1-CD2 3.5Å; F87-F108 HydrophobicContact CE1-CE2 4.07Å; F87-F108 HydrophobicContact CE1-CG 4.05Å; F87-F108 HydrophobicContact CZ-CB 3.63Å; F87-F108 HydrophobicContact CZ-CD1 4.41Å; F87-F108 AromaticContact CZ-CD2 3.57Å; F87-F108 HydrophobicContact CZ-CD2 3.57Å; F87-F108 HydrophobicContact CZ-CE2 4.34Å; F87-F108 AromaticContact CZ-CG 3.61Å; F87-F108 HydrophobicContact CZ-CG 3.61Å
88Y93.4Very high90Very high73 Ų7369.9 Ų69.929%0.28636%0.358SS..EExtended strand (participates in β ladder)trans-131.6116.4-179.3-55.3-74.2000106.6L53 L56 K69L53-Y88 HydrophobicContact CB-CD1 4.14Å; L53-Y88 HydrophobicContact CD1-CD1 3.82Å; L53-Y88 HydrophobicContact CD1-CE1 3.59Å; L56-Y88 HydrophobicContact CD1-CD1 4.18Å; L56-Y88 HydrophobicContact CD1-CG 4.35Å; K69-Y88 HydrophobicContact CB-CE1 4.07Å; K69-Y88 HydrophobicContact CD-CD1 3.6Å; K69-Y88 HydrophobicContact CD-CE1 3.52Å; K69-Y88 HydrophobicContact CD-CG 4.35Å; K69-Y88 HydrophobicContact CG-CD1 4.01Å; K69-Y88 HydrophobicContact CG-CE1 3.69Å
89L91.8Very high90Very high12 Ų1270.9 Ų70.96%0.06336%0.364CS..  trans-101.5127169.5-63.9-179000108.6V52 L53 T54 L56 Y97 E101V52-L89 HydrophobicContact CG1-CD1 3.58Å; V52-L89 HydrophobicContact CG1-CG 3.67Å; L53-L89 PolarHBondContact O-N 2.86Å; T54-L89 HydrophobicContact CG2-CD1 4.48Å; L56-L89 VanDerWaalsContact CD1-O 3.3Å; L56-L89 WeakPolarHBondContact CD1-O 3.04Å; L89-Y97 HydrophobicContact CB-CD1 3.85Å; L89-Y97 HydrophobicContact CB-CE1 3.91Å; L89-Y97 HydrophobicContact CD1-CD1 4.02Å; L89-Y97 HydrophobicContact CD1-CD2 3.98Å; L89-Y97 HydrophobicContact CD1-CE1 4.08Å; L89-Y97 HydrophobicContact CD1-CE2 4.05Å; L89-Y97 HydrophobicContact CD1-CG 3.96Å; L89-Y97 HydrophobicContact CG-CD1 4.44Å; L89-E101 WeakPolarHBondContact CA-OE2 3.27Å; L89-E101 HydrophobicContact CD2-CB 3.78Å
90S87.9Confident90.1Very high51 Ų5176.4 Ų76.436%0.35739%0.39SS..  trans-69.3-176.8174-66.20000111E101S90-E101 WeakPolarHBondContact CB-OE1 3.18Å; S90-E101 WeakPolarHBondContact CB-OE2 3.38Å; S90-E101 PolarHBondContact N-OE2 3.34Å; S90-E101 PolarHBondContact OG-OE1 2.89Å
91G85.1Confident90.1Very high19 Ų1977.7 Ų77.720%0.19639%0.394CS..  trans-60.7155.5175.400000112.5D57D57-G91 WeakPolarHBondContact OD2-CA 3.47Å
92M88Confident90.3Very high104 Ų10476.4 Ų76.451%0.51240%0.396SS..  trans-72.8146.8175.9-65.9169.5178.500111.3E96 Y97M92-E96 CarbonylContact C-O 3.59Å; M92-E96 WeakPolarHBondContact CA-O 3.39Å; M92-Y97 HydrophobicContact CE-CE1 4.07Å; M92-Y97 HydrophobicContact CE-CE2 3.89Å; M92-Y97 WeakPolarHBondContact CE-OH 3.4Å; M92-Y97 HydrophobicContact CG-CD1 4.11Å; M92-Y97 HydrophobicContact CG-CE1 3.92Å
93V85.3Confident90.3Very high75 Ų7577.8 Ų77.846%0.45540%0.4SS..BIsolated β-bridgetrans-125.4121.2174.9-174.30000107.4G95 E96V93-G95 PolarHBondContact O-N 2.85Å; V93-G95 VanDerWaalsContact O-N 3.07Å; V93-E96 PolarHBondContact N-O 2.9Å; V93-E96 PolarHBondContact O-N 3.11Å
94Y85.6Confident90.5Very high240 Ų24080.5 Ų80.594%0.94141%0.405SS*.THydrogen-bonded Turntrans52.922.2-171.2-56.3-65.6000115.5
95G85.8Confident90.7Very high59 Ų5981.4 Ų81.461%0.60841%0.41SS*.THydrogen-bonded Turntrans95.5-11.5-17700000114.5V93V93-G95 PolarHBondContact O-N 2.85Å; V93-G95 VanDerWaalsContact O-N 3.07Å
96E89.4Confident90.7Very high138 Ų13877.3 Ų77.365%0.64540%0.402SS*.BIsolated β-bridgetrans-98.7158.6178.3-61.3-170.1163.700112.4M92 V93M92-E96 CarbonylContact C-O 3.59Å; M92-E96 WeakPolarHBondContact CA-O 3.39Å; V93-E96 PolarHBondContact N-O 2.9Å; V93-E96 PolarHBondContact O-N 3.11Å
97Y93.3Very high90.7Very high66 Ų6685.3 Ų85.326%0.25943%0.431SS..  trans-85.8151.4169.4-73.9-68000111.7T54 L89 M92 T99T54-Y97 WeakPolarHBondContact CG2-OH 3.33Å; L89-Y97 HydrophobicContact CB-CD1 3.85Å; L89-Y97 HydrophobicContact CB-CE1 3.91Å; L89-Y97 HydrophobicContact CD1-CD1 4.02Å; L89-Y97 HydrophobicContact CD1-CD2 3.98Å; L89-Y97 HydrophobicContact CD1-CE1 4.08Å; L89-Y97 HydrophobicContact CD1-CE2 4.05Å; L89-Y97 HydrophobicContact CD1-CG 3.96Å; L89-Y97 HydrophobicContact CG-CD1 4.44Å; M92-Y97 HydrophobicContact CE-CE1 4.07Å; M92-Y97 HydrophobicContact CE-CE2 3.89Å; M92-Y97 WeakPolarHBondContact CE-OH 3.4Å; M92-Y97 HydrophobicContact CG-CD1 4.11Å; M92-Y97 HydrophobicContact CG-CE1 3.92Å; Y97-T99 PolarHBondContact O-N 2.88Å
98Q91.8Very high90.5Very high79 Ų7988.7 Ų88.737%0.36945%0.446SS..  trans-54.1115-178.8-172.266.613.200111.7Q100 E101 V102Q98-Q100 PolarHBondContact O-N 3.36Å; Q98-E101 HydrophobicContact CB-CG 4.18Å; Q98-E101 HydrophobicContact CG-CG 4.4Å; Q98-E101 WeakPolarHBondContact O-CB 3.22Å; Q98-E101 PolarHBondContact O-N 3.03Å; Q98-V102 PolarHBondContact O-N 3.28Å
99T91.9Very high90.5Very high94 Ų9487.9 Ų87.958%0.57745%0.446SS*.Hα-helixtrans-55.3-31-170.757.80000114.1Y97 K103Y97-T99 PolarHBondContact O-N 2.88Å; T99-K103 WeakPolarHBondContact O-CB 3.45Å; T99-K103 PolarHBondContact O-N 3.22Å
100Q92.1Very high90.4Very high136 Ų13691.9 Ų91.964%0.63648%0.475SS*.Hα-helixtrans-65.4-40.4174.6-63.1-180000112.9Q98 N104Q98-Q100 PolarHBondContact O-N 3.36Å; Q100-N104 WeakPolarHBondContact O-CB 3.35Å; Q100-N104 VanDerWaalsContact O-CG 3.27Å; Q100-N104 PolarHBondContact O-N 3.01Å; Q100-N104 VanDerWaalsContact O-N 3.07Å; Q100-N104 PolarHBondContact O-ND2 3.27Å; Q100-N104 VanDerWaalsContact O-ND2 3.16Å
101E92.6Very high90.5Very high48 Ų4894.8 Ų94.822%0.22449%0.49CS..Hα-helixtrans-71.6-41.3179-59.8-179.6149.900110.4L89 S90 Q98 N104 L105L89-E101 WeakPolarHBondContact CA-OE2 3.27Å; L89-E101 HydrophobicContact CD2-CB 3.78Å; S90-E101 WeakPolarHBondContact CB-OE1 3.18Å; S90-E101 WeakPolarHBondContact CB-OE2 3.38Å; S90-E101 PolarHBondContact N-OE2 3.34Å; S90-E101 PolarHBondContact OG-OE1 2.89Å; Q98-E101 HydrophobicContact CB-CG 4.18Å; Q98-E101 HydrophobicContact CG-CG 4.4Å; Q98-E101 WeakPolarHBondContact O-CB 3.22Å; Q98-E101 PolarHBondContact O-N 3.03Å; E101-N104 PolarHBondContact O-N 3.02Å; E101-L105 PolarHBondContact O-N 3.02Å
102V92.8Very high90.6Very high67 Ų6795.9 Ų95.941%0.40649%0.491SS..Hα-helixtrans-64.4-43.9174.8-178.10000111.5Q98 N104 L105 G106Q98-V102 PolarHBondContact O-N 3.28Å; V102-N104 VanDerWaalsContact C-N 3.31Å; V102-N104 PolarHBondContact O-N 3.16Å; V102-L105 WeakPolarHBondContact O-CB 3.3Å; V102-L105 PolarHBondContact O-N 3.22Å; V102-G106 PolarHBondContact O-N 3.16Å
103K92.4Very high90.6Very high168 Ų16899.6 Ų99.673%0.7350%0.504SS*.Hα-helixtrans-62.4-37.1175.7-174.6171.8-177.7173.50112.2T99 G106 R107T99-K103 WeakPolarHBondContact O-CB 3.45Å; T99-K103 PolarHBondContact O-N 3.22Å; K103-G106 PolarHBondContact O-N 3.39Å; K103-R107 PolarHBondContact O-N 3.47Å
104N93.2Very high90.8Very high95 Ų95101.1 Ų101.151%0.50851%0.505SS..Hα-helixtrans-66.4-43173.2-77-29.3000112.1Q100 E101 V102 R107 F108Q100-N104 WeakPolarHBondContact O-CB 3.35Å; Q100-N104 VanDerWaalsContact O-CG 3.27Å; Q100-N104 PolarHBondContact O-N 3.01Å; Q100-N104 VanDerWaalsContact O-N 3.07Å; Q100-N104 PolarHBondContact O-ND2 3.27Å; Q100-N104 VanDerWaalsContact O-ND2 3.16Å; E101-N104 PolarHBondContact O-N 3.02Å; V102-N104 VanDerWaalsContact C-N 3.31Å; V102-N104 PolarHBondContact O-N 3.16Å; N104-R107 PolarHBondContact O-N 3.37Å; N104-F108 WeakPolarHBondContact O-CD2 3.41Å; N104-F108 PolarHBondContact O-N 2.77Å
105L93.4Very high90.8Very high20 Ų2098.3 Ų98.311%0.10549%0.492CS..Hα-helixtrans-59.4-47.4172.7175.260.9000111.1M50 V52 F87 E101 V102 R107 F108 I109M50-L105 HydrophobicContact SD-CD1 4.3Å; V52-L105 HydrophobicContact CG2-CD2 4.32Å; F87-L105 HydrophobicContact CD1-CD1 4.27Å; F87-L105 HydrophobicContact CD2-CD1 3.59Å; F87-L105 HydrophobicContact CE1-CD1 4.42Å; F87-L105 HydrophobicContact CE2-CD1 3.76Å; F87-L105 HydrophobicContact CG-CD1 3.88Å; F87-L105 HydrophobicContact CZ-CD1 4.18Å; E101-L105 PolarHBondContact O-N 3.02Å; V102-L105 WeakPolarHBondContact O-CB 3.3Å; V102-L105 PolarHBondContact O-N 3.22Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.41Å; L105-F108 PolarHBondContact O-N 2.69Å; L105-I109 HydrophobicContact CD1-CD1 4.19Å; L105-I109 HydrophobicContact CD1-CG1 4.43Å; L105-I109 HydrophobicContact CG-CD1 4.01Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 2.82Å; L105-I109 VanDerWaalsContact O-N 3.08Å
106G92.4Very high90.8Very high34 Ų34100.2 Ų100.235%0.35149%0.494SS..Hα-helixtrans-56.3-42.7176.800000113.5V102 K103 F108 I109 S110V102-G106 PolarHBondContact O-N 3.16Å; K103-G106 PolarHBondContact O-N 3.39Å; G106-F108 VanDerWaalsContact C-N 3.27Å; G106-F108 PolarHBondContact O-N 3.49Å; G106-I109 PolarHBondContact O-N 3.15Å; G106-I109 VanDerWaalsContact O-N 3.13Å; G106-S110 PolarHBondContact O-N 2.91Å; G106-S110 PolarHBondContact O-OG 3.27Å
107R91.9Very high90.8Very high185 Ų18594.6 Ų94.670%0.69847%0.469SS*.Hα-helixtrans-59.8-33.2174.6-179.6178.6176.2-177-0.1113.1K103 N104 L105 S110 V111K103-R107 PolarHBondContact O-N 3.47Å; N104-R107 PolarHBondContact O-N 3.37Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.41Å; R107-S110 PolarHBondContact O-OG 3.39Å; R107-V111 WeakPolarHBondContact O-CG2 3.34Å
108F91.4Very high90.7Very high100 Ų10097.2 Ų97.244%0.43949%0.491SS..Hα-helixtrans-79-28.8175.9-84.9-78.1000113M50 F87 N104 L105 G106M50-F108 HydrophobicContact CE-CB 4.2Å; M50-F108 WeakPolarHBondContact CE-O 3.48Å; F87-F108 HydrophobicContact CE1-CB 4.29Å; F87-F108 AromaticContact CE1-CD2 3.5Å; F87-F108 HydrophobicContact CE1-CD2 3.5Å; F87-F108 VanDerWaalsContact CE1-CD2 3.5Å; F87-F108 HydrophobicContact CE1-CE2 4.07Å; F87-F108 HydrophobicContact CE1-CG 4.05Å; F87-F108 HydrophobicContact CZ-CB 3.63Å; F87-F108 HydrophobicContact CZ-CD1 4.41Å; F87-F108 AromaticContact CZ-CD2 3.57Å; F87-F108 HydrophobicContact CZ-CD2 3.57Å; F87-F108 HydrophobicContact CZ-CE2 4.34Å; F87-F108 AromaticContact CZ-CG 3.61Å; F87-F108 HydrophobicContact CZ-CG 3.61Å; N104-F108 WeakPolarHBondContact O-CD2 3.41Å; N104-F108 PolarHBondContact O-N 2.77Å; L105-F108 PolarHBondContact O-N 2.69Å; G106-F108 VanDerWaalsContact C-N 3.27Å; G106-F108 PolarHBondContact O-N 3.49Å
109I92.6Very high90.6Very high55 Ų5595 Ų9528%0.28248%0.479SS..Hα-helixtrans-69.6-47175.1-65.6171.2000110.2L19 L21 M50 L105 G106 V111 M112L19-I109 HydrophobicContact CD2-CG1 4.18Å; L19-I109 HydrophobicContact CD2-CG2 3.85Å; L21-I109 HydrophobicContact CD1-CD1 4.17Å; L21-I109 HydrophobicContact CD2-CD1 4.14Å; M50-I109 HydrophobicContact CE-CG1 4.42Å; M50-I109 HydrophobicContact SD-CG1 4.2Å; L105-I109 HydrophobicContact CD1-CD1 4.19Å; L105-I109 HydrophobicContact CD1-CG1 4.43Å; L105-I109 HydrophobicContact CG-CD1 4.01Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 2.82Å; L105-I109 VanDerWaalsContact O-N 3.08Å; G106-I109 PolarHBondContact O-N 3.15Å; G106-I109 VanDerWaalsContact O-N 3.13Å; I109-V111 VanDerWaalsContact C-N 3.29Å; I109-V111 PolarHBondContact O-N 3.11Å; I109-M112 WeakPolarHBondContact O-CB 3.32Å; I109-M112 PolarHBondContact O-N 3.38Å; I109-M112 VanDerWaalsContact O-N 3.17Å
110S89.7Confident90.6Very high96 Ų9691 Ų9167%0.67145%0.454SS*.Hα-helixtrans-67.6-22.8-175.761.70000115.1G106 R107G106-S110 PolarHBondContact O-N 2.91Å; G106-S110 PolarHBondContact O-OG 3.27Å; R107-S110 PolarHBondContact O-OG 3.39Å
111V89.8Confident90.5Very high113 Ų11388.4 Ų88.469%0.68545%0.448SS*.THydrogen-bonded Turntrans-93.9-1.6178.5-1780000112R107 I109 K113R107-V111 WeakPolarHBondContact O-CG2 3.34Å; I109-V111 VanDerWaalsContact C-N 3.29Å; I109-V111 PolarHBondContact O-N 3.11Å; V111-K113 PolarHBondContact O-N 3.39Å
112M87.3Confident90.5Very high42 Ų4289.1 Ų89.121%0.20746%0.458CS..PPolyproline II helixtrans-77.8122.9-172.9-178.1162.1-105.300113.4L19 R48 M50 I109 F114L19-M112 HydrophobicContact CD1-SD 3.75Å; R48-M112 HydrophobicContact CB-CE 3.92Å; R48-M112 HydrophobicContact CB-SD 3.48Å; R48-M112 WeakPolarHBondContact CB-SD 3.32Å; R48-M112 HydrophobicContact CG-CE 4.04Å; R48-M112 HydrophobicContact CG-CG 4.35Å; R48-M112 HydrophobicContact CG-SD 3.74Å; M50-M112 HydrophobicContact CE-CB 4.44Å; M50-M112 HydrophobicContact CE-CE 3.62Å; M50-M112 HydrophobicContact CE-SD 3.66Å; I109-M112 WeakPolarHBondContact O-CB 3.32Å; I109-M112 PolarHBondContact O-N 3.38Å; I109-M112 VanDerWaalsContact O-N 3.17Å; M112-F114 HydrophobicContact CB-CE1 4.36Å; M112-F114 HydrophobicContact CG-CD1 4.24Å; M112-F114 HydrophobicContact CG-CE1 3.97Å; M112-F114 HydrophobicContact SD-CE1 4.24Å
113K88.6Confident90.5Very high181 Ų18186.5 Ų86.579%0.78744%0.441SS*.PPolyproline II helixtrans-83.8119.2166.5-62.8-175.6180-178.60110.9R48 V111R48-K113 PolarHBondContact NE-O 3.02Å; V111-K113 PolarHBondContact O-N 3.39Å
114F88.9Confident90.6Very high107 Ų10779.5 Ų79.547%0.46941%0.413SS..PPolyproline II helixtrans-74.2170.8175.3-53.7-55.1000111.8D18 L19 R48 M112D18-F114 HydrophobicContact CB-CD1 4.29Å; D18-F114 HydrophobicContact CB-CG 4.32Å; L19-F114 HydrophobicContact CB-CE1 3.92Å; L19-F114 HydrophobicContact CD2-CE1 4.45Å; R48-F114 HydrophobicContact CG-CD1 4.34Å; M112-F114 HydrophobicContact CB-CE1 4.36Å; M112-F114 HydrophobicContact CG-CD1 4.24Å; M112-F114 HydrophobicContact CG-CE1 3.97Å; M112-F114 HydrophobicContact SD-CE1 4.24Å
115R85.7Confident90.7Very high181 Ų18175.3 Ų75.368%0.68339%0.39SS*.  trans-120.4129.7176.8-179.5-170.3178.6174.44.8108.3L117R115-L117 PolarHBondContact O-N 3.02Å
116P85.6Confident90.7Very high100 Ų10074.3 Ų74.365%0.64939%0.385SS*.  trans-61.2128.8172.924.9-32.9000110.7T121P116-T121 HydrophobicContact CB-CG2 3.72Å
117L89.9Confident90.8Very high20 Ų2073.6 Ų73.611%0.10537%0.373CS..  trans-102129.7173-60.2-179.2000109.5R115 W119 Q120 T121R115-L117 PolarHBondContact O-N 3.02Å; L117-W119 PolarHBondContact O-N 2.81Å; L117-W119 VanDerWaalsContact O-N 3.08Å; L117-Q120 HydrophobicContact CB-CB 4.42Å; L117-Q120 HydrophobicContact CB-CG 4.32Å; L117-Q120 WeakPolarHBondContact O-CB 3.43Å; L117-Q120 PolarHBondContact O-N 3.11Å; L117-T121 PolarHBondContact O-N 2.89Å; L117-T121 PolarHBondContact O-OG1 2.68Å
118V90Very high90.8Very high121 Ų12165.5 Ų65.573%0.73334%0.344SS*.Hα-helixtrans-53.5-37.3-171.9-178.50000113.1T121 S122V118-T121 WeakPolarHBondContact CA-OG1 3.4Å; V118-T121 PolarHBondContact O-OG1 2.84Å; V118-S122 WeakPolarHBondContact O-CB 3.49Å; V118-S122 PolarHBondContact O-N 2.83Å; V118-S122 PolarHBondContact O-OG 3.14Å
119W91.2Very high90.8Very high31 Ų3162.8 Ų62.812%0.11733%0.334CS..Hα-helixtrans-66-44.4177.4-173.7-94.7000112.3L117 S122 H123 G715 W716L117-W119 PolarHBondContact O-N 2.81Å; L117-W119 VanDerWaalsContact O-N 3.08Å; W119-S122 PolarHBondContact O-N 3.35Å; W119-S122 PolarHBondContact O-OG 3.42Å; W119-H123 AromaticContact CD2-ND1 3.86Å; W119-H123 AromaticContact CE2-ND1 3.85Å; W119-H123 AromaticContact CE3-CE1 3.74Å; W119-H123 AromaticContact CE3-ND1 3.95Å; W119-H123 AromaticContact CH2-CE1 3.48Å; W119-H123 VanDerWaalsContact CH2-CE1 3.48Å; W119-H123 WeakPolarHBondContact CH2-CE1 3.46Å; W119-H123 AromaticContact CH2-ND1 3.97Å; W119-H123 AromaticContact CH2-NE2 3.58Å; W119-H123 AromaticContact CZ2-CE1 3.88Å; W119-H123 AromaticContact CZ2-ND1 3.91Å; W119-H123 AromaticContact CZ3-CE1 3.42Å; W119-H123 VanDerWaalsContact CZ3-CE1 3.42Å; W119-H123 WeakPolarHBondContact CZ3-CE1 3.4Å; W119-H123 AromaticContact CZ3-NE2 3.94Å; W119-H123 PolarHBondContact O-N 3.48Å; W119-H123 PolarHBondContact O-ND1 3Å; W119-G715 VanDerWaalsContact CH2-CA 3.45Å; W119-W716 AromaticContact CD1-CH2 3.98Å; W119-W716 AromaticContact CD1-CZ2 3.95Å; W119-W716 AromaticContact CZ2-CD1 3.9Å; W119-W716 HydrophobicContact CZ2-CD2 4.36Å; W119-W716 HydrophobicContact CZ2-CG 4.23Å; W119-W716 AromaticContact CZ2-NE1 3.79Å; W119-W716 AromaticContact NE1-CD2 3.78Å; W119-W716 AromaticContact NE1-CE2 3.37Å; W119-W716 AromaticContact NE1-CH2 3.58Å; W119-W716 AromaticContact NE1-CZ2 3.26Å; W119-W716 VanDerWaalsContact NE1-CZ2 3.26Å; W119-W716 AromaticContact NE1-CZ3 3.97Å; W119-W716 AromaticContact NE1-NE1 3.96Å
120Q91.3Very high90.6Very high12 Ų1265.3 Ų65.36%0.05634%0.34CS..Hα-helixtrans-68.8-38.9179.2-67.7171.9-2400111.7K15 V16 L117 S122 H123 Y125 G158K15-Q120 PolarHBondContact O-NE2 3.14Å; V16-Q120 PolarHBondContact O-NE2 2.8Å; L117-Q120 HydrophobicContact CB-CB 4.42Å; L117-Q120 HydrophobicContact CB-CG 4.32Å; L117-Q120 WeakPolarHBondContact O-CB 3.43Å; L117-Q120 PolarHBondContact O-N 3.11Å; Q120-S122 VanDerWaalsContact C-N 3.29Å; Q120-S122 PolarHBondContact O-N 2.96Å; Q120-H123 VanDerWaalsContact O-O 3.1Å; Q120-Y125 HydrophobicContact CB-CE1 3.79Å; Q120-Y125 HydrophobicContact CG-CE1 3.93Å; Q120-G158 CarbonylContact O-C 3.59Å; Q120-G158 WeakPolarHBondContact O-CA 3.14Å
121T90.6Very high90.7Very high81 Ų8161.8 Ų61.850%0.49731%0.313SS..Hα-helixtrans-76-14.1179.2570000114P116 L117 V118P116-T121 HydrophobicContact CB-CG2 3.72Å; L117-T121 PolarHBondContact O-N 2.89Å; L117-T121 PolarHBondContact O-OG1 2.68Å; V118-T121 WeakPolarHBondContact CA-OG1 3.4Å; V118-T121 PolarHBondContact O-OG1 2.84Å
122S91.2Very high90.7Very high63 Ų6358.7 Ų58.744%0.44129%0.291SS..Hα-helixtrans-102.2-19.9-178.451.30000114.5V118 W119 Q120V118-S122 WeakPolarHBondContact O-CB 3.49Å; V118-S122 PolarHBondContact O-N 2.83Å; V118-S122 PolarHBondContact O-OG 3.14Å; W119-S122 PolarHBondContact O-N 3.35Å; W119-S122 PolarHBondContact O-OG 3.42Å; Q120-S122 VanDerWaalsContact C-N 3.29Å; Q120-S122 PolarHBondContact O-N 2.96Å
123H93.1Very high90.8Very high12 Ų1259.3 Ų59.36%0.05630%0.296CS..SBendtrans-121.3135.8-178.6-60.878.1000110.1W119 Q120 A159 E684 W716W119-H123 AromaticContact CD2-ND1 3.86Å; W119-H123 AromaticContact CE2-ND1 3.85Å; W119-H123 AromaticContact CE3-CE1 3.74Å; W119-H123 AromaticContact CE3-ND1 3.95Å; W119-H123 AromaticContact CH2-CE1 3.48Å; W119-H123 VanDerWaalsContact CH2-CE1 3.48Å; W119-H123 WeakPolarHBondContact CH2-CE1 3.46Å; W119-H123 AromaticContact CH2-ND1 3.97Å; W119-H123 AromaticContact CH2-NE2 3.58Å; W119-H123 AromaticContact CZ2-CE1 3.88Å; W119-H123 AromaticContact CZ2-ND1 3.91Å; W119-H123 AromaticContact CZ3-CE1 3.42Å; W119-H123 VanDerWaalsContact CZ3-CE1 3.42Å; W119-H123 WeakPolarHBondContact CZ3-CE1 3.4Å; W119-H123 AromaticContact CZ3-NE2 3.94Å; W119-H123 PolarHBondContact O-N 3.48Å; W119-H123 PolarHBondContact O-ND1 3Å; Q120-H123 VanDerWaalsContact O-O 3.1Å; H123-A159 PolarHBondContact O-N 3.41Å; H123-E684 IonicContact NE2-OE1 2.94Å; H123-E684 IonicContact NE2-OE2 3.4Å; H123-W716 HydrophobicContact CB-CZ2 4.03Å
124P94.5Very high90.9Very high21 Ų2153.6 Ų53.614%0.13627%0.273CS..EExtended strand (participates in β ladder)trans-69.8139.5166.628.7-30.1000108.9L156 A159 H160 L161 G679P124-L156 HydrophobicContact CB-CD1 4.06Å; P124-A159 WeakPolarHBondContact CB-O 3.42Å; P124-H160 WeakPolarHBondContact CB-O 3.37Å; P124-H160 WeakPolarHBondContact CG-O 3.37Å; P124-L161 HydrophobicContact CB-CB 4.03Å; P124-L161 HydrophobicContact CB-CD1 4.13Å; P124-L161 HydrophobicContact CG-CD1 3.94Å; P124-G679 PolarHBondContact O-N 3.38Å
125Y94.9Very high91Very high6 Ų649.3 Ų49.32%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-144.3142.3170.962-80.2000111.2V16 Q120 R157 L677 W716V16-Y125 HydrophobicContact CB-CE2 4.37Å; V16-Y125 HydrophobicContact CG1-CD2 4.31Å; V16-Y125 HydrophobicContact CG1-CE2 3.97Å; V16-Y125 HydrophobicContact CG2-CD2 4.01Å; V16-Y125 HydrophobicContact CG2-CE2 4.2Å; Q120-Y125 HydrophobicContact CB-CE1 3.79Å; Q120-Y125 HydrophobicContact CG-CE1 3.93Å; Y125-R157 HydrophobicContact CD1-CB 4.39Å; Y125-R157 HydrophobicContact CD2-CB 4Å; Y125-R157 HydrophobicContact CE1-CB 3.99Å; Y125-R157 HydrophobicContact CE2-CB 3.57Å; Y125-R157 HydrophobicContact CE2-CG 4.32Å; Y125-R157 HydrophobicContact CG-CB 4.4Å; Y125-R157 PolarHBondContact N-O 3.42Å; Y125-R157 WeakPolarHBondContact O-CA 3.43Å; Y125-R157 PolarHBondContact O-N 3.02Å; Y125-R157 VanDerWaalsContact O-O 3.13Å; Y125-L677 CarbonylContact C-O 3.48Å; Y125-L677 VanDerWaalsContact CA-O 3.24Å; Y125-L677 WeakPolarHBondContact CA-O 3.11Å; Y125-W716 AromaticContact CD1-CH2 4Å; Y125-W716 HydrophobicContact CD1-CH2 4Å; Y125-W716 HydrophobicContact CD1-CZ2 4.18Å; Y125-W716 HydrophobicContact CD2-CH2 4.44Å; Y125-W716 AromaticContact CG-CH2 3.79Å; Y125-W716 HydrophobicContact CG-CH2 3.79Å; Y125-W716 HydrophobicContact CG-CZ2 4.18Å
126L94.4Very high91.2Very high0 Ų045 Ų450%025%0.247CC..EExtended strand (participates in β ladder)trans-113.4134.5174.2176.9145000108.7V128 G154 I654 V656 L677L126-V128 HydrophobicContact CD2-CB 4.29Å; L126-V128 HydrophobicContact CD2-CG2 3.58Å; L126-G154 WeakPolarHBondContact CD1-O 3.3Å; L126-I654 HydrophobicContact CD1-CD1 3.75Å; L126-I654 HydrophobicContact CD1-CG1 3.39Å; L126-V656 HydrophobicContact CD1-CG2 4.14Å; L126-L677 HydrophobicContact CB-CB 4.34Å; L126-L677 HydrophobicContact CB-CD2 4.43Å; L126-L677 HydrophobicContact CD2-CB 4.42Å; L126-L677 PolarHBondContact N-O 3.39Å; L126-L677 PolarHBondContact O-N 3.35Å
127L93.7Very high91.3Very high18 Ų1845.3 Ų45.39%0.09425%0.248CC..EExtended strand (participates in β ladder)trans-91.3127.4163.1176.867.4000106.9M1 D129 G154 I676M1-L127 HydrophobicContact CE-CD1 3.84Å; M1-L127 HydrophobicContact CE-CD2 3.48Å; M1-L127 VanDerWaalsContact CE-CD2 3.48Å; M1-L127 HydrophobicContact CE-CG 4.32Å; M1-L127 HydrophobicContact SD-CD1 3.55Å; M1-L127 VanDerWaalsContact SD-CD1 3.55Å; M1-L127 HydrophobicContact SD-CD2 3.66Å; M1-L127 HydrophobicContact SD-CG 4.19Å; L127-D129 PolarHBondContact O-N 3.23Å; L127-G154 WeakPolarHBondContact O-CA 3.5Å; L127-I676 HydrophobicContact CD1-CG1 4.01Å
128V93.3Very high91.4Very high16 Ų1651.2 Ų51.210%0.09728%0.276CS..  trans-82.7120-178.6-176.50000109.3L126 R130 M131 L152 Y153 I675L126-V128 HydrophobicContact CD2-CB 4.29Å; L126-V128 HydrophobicContact CD2-CG2 3.58Å; V128-R130 WeakPolarHBondContact CG1-O 3.22Å; V128-M131 HydrophobicContact CG1-CB 4.47Å; V128-L152 HydrophobicContact CG1-CB 4.22Å; V128-L152 HydrophobicContact CG1-CD2 3.99Å; V128-L152 HydrophobicContact CG2-CB 4.05Å; V128-L152 HydrophobicContact CG2-CD1 4.28Å; V128-L152 HydrophobicContact CG2-CD2 4.26Å; V128-L152 HydrophobicContact CG2-CG 4.43Å; V128-Y153 WeakPolarHBondContact CA-O 3.45Å; V128-I675 HydrophobicContact CB-CB 3.94Å; V128-I675 HydrophobicContact CB-CG2 4.25Å; V128-I675 HydrophobicContact CG2-CB 3.87Å; V128-I675 HydrophobicContact CG2-CG2 3.6Å; V128-I675 PolarHBondContact N-O 2.88Å
129D90.6Very high91.3Very high42 Ų4250.1 Ų50.123%0.22526%0.262CS..SBendtrans-91.6-35.9173.6-58.9-52.3000111.2L127 Y153 G154 F155 Y206 P208L127-D129 PolarHBondContact O-N 3.23Å; D129-Y153 PolarHBondContact N-O 2.75Å; D129-G154 WeakPolarHBondContact OD2-CA 3.3Å; D129-F155 WeakPolarHBondContact OD2-CD2 3.19Å; D129-Y206 HydrophobicContact CB-CE1 4.07Å; D129-P208 HydrophobicContact CB-CG 4.37Å; D129-P208 WeakPolarHBondContact O-CG 3.2Å
130R88.9Confident91.2Very high108 Ų10850.6 Ų50.641%0.40827%0.268SS..EExtended strand (participates in β ladder)trans-136.5143.7179.4-173.1179.5-177.2-163.6-3.7111.4V128 E132 Y153 P208V128-R130 WeakPolarHBondContact CG1-O 3.22Å; R130-E132 IonicContact CZ-OE1 3.59Å; R130-E132 IonicContact NE-OE1 2.63Å; R130-E132 PolarHBondContact NE-OE1 2.97Å; R130-E132 IonicContact NH1-OE1 2.73Å; R130-E132 PolarHBondContact NH1-OE1 3.22Å; R130-E132 IonicContact NH2-OE1 2.86Å; R130-E132 PolarHBondContact NH2-OE1 2.86Å; R130-Y153 HydrophobicContact CB-CD2 4.16Å; R130-Y153 HydrophobicContact CB-CG 4.47Å; R130-Y153 HydrophobicContact CG-CD2 4.28Å; R130-Y153 PolarHBondContact N-O 3.46Å; R130-Y153 PolarHBondContact O-N 2.85Å; R130-P208 HydrophobicContact CB-CB 4.49Å; R130-P208 HydrophobicContact CB-CG 4.02Å
131M90.4Very high91.1Very high23 Ų2359.6 Ų59.611%0.11330%0.302CS..EExtended strand (participates in β ladder)trans-130138.1176.5-177.4-88.4-7300109.8V128 V150 S151 L152 M209 F669V128-M131 HydrophobicContact CG1-CB 4.47Å; M131-V150 HydrophobicContact CG-CG1 3.53Å; M131-V150 HydrophobicContact SD-CG1 3.76Å; M131-S151 WeakPolarHBondContact CA-O 3.23Å; M131-L152 HydrophobicContact CB-CD2 4Å; M131-L152 HydrophobicContact CG-CD2 3.54Å; M131-M209 HydrophobicContact CB-CE 3.95Å; M131-F669 HydrophobicContact CE-CB 3.75Å; M131-F669 HydrophobicContact CE-CD1 3.6Å; M131-F669 HydrophobicContact CE-CD2 3.58Å; M131-F669 HydrophobicContact CE-CE1 4.16Å; M131-F669 HydrophobicContact CE-CE2 4.18Å; M131-F669 HydrophobicContact CE-CG 3.29Å; M131-F669 HydrophobicContact CE-CZ 4.44Å
132E89.8Confident91.2Very high48 Ų4860.6 Ų60.622%0.22431%0.308CS..EExtended strand (participates in β ladder)trans-136.7135177.7-63.1178.1152.600110.3R130 V150 S151 Y153R130-E132 IonicContact CZ-OE1 3.59Å; R130-E132 IonicContact NE-OE1 2.63Å; R130-E132 PolarHBondContact NE-OE1 2.97Å; R130-E132 IonicContact NH1-OE1 2.73Å; R130-E132 PolarHBondContact NH1-OE1 3.22Å; R130-E132 IonicContact NH2-OE1 2.86Å; R130-E132 PolarHBondContact NH2-OE1 2.86Å; E132-V150 CarbonylContact O-C 3.48Å; E132-V150 WeakPolarHBondContact O-CA 3Å; E132-V150 VanDerWaalsContact O-CG1 3.32Å; E132-V150 WeakPolarHBondContact O-CG1 3.09Å; E132-S151 PolarHBondContact N-O 2.95Å; E132-S151 PolarHBondContact O-N 2.86Å; E132-Y153 HydrophobicContact CB-CE2 4.42Å; E132-Y153 HydrophobicContact CG-CE2 3.92Å; E132-Y153 WeakPolarHBondContact OE2-CE2 3.33Å; E132-Y153 VanDerWaalsContact OE2-CZ 3.22Å; E132-Y153 PolarHBondContact OE2-OH 3Å
133D91.4Very high91.2Very high55 Ų5562.9 Ų62.929%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-82.5124.8167.5-167.2-5.4000108.6T135 R148 V666D133-T135 WeakPolarHBondContact OD1-CB 3.38Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 3.47Å; D133-R148 IonicContact OD2-CZ 3.46Å; D133-R148 IonicContact OD2-NH1 3.56Å; D133-R148 PolarHBondContact OD2-NH1 3.38Å; D133-V666 HydrophobicContact CB-CG1 4.06Å
134L90.4Very high91Very high61 Ų6166.3 Ų66.332%0.31934%0.339SS..  trans-97.8-1.8175.7-58.1-175.3000112.7D136 T149 S151 E657L134-D136 PolarHBondContact O-N 3.36Å; L134-T149 WeakPolarHBondContact CB-O 3.14Å; L134-T149 PolarHBondContact N-O 2.86Å; L134-S151 WeakPolarHBondContact CD1-OG 3.22Å; L134-E657 HydrophobicContact CD1-CG 4.18Å
135T89.3Confident90.7Very high16 Ų1673.3 Ų73.310%0.09837%0.367CS..SBendtrans-66.8131.7-169.8-48.60000111.5D133 V140 R148 T149D133-T135 WeakPolarHBondContact OD1-CB 3.38Å; D133-T135 PolarHBondContact OD1-N 2.9Å; D133-T135 PolarHBondContact OD1-OG1 3.47Å; T135-V140 HydrophobicContact CG2-CG2 3.91Å; T135-R148 VanDerWaalsContact OG1-CA 3.25Å; T135-R148 WeakPolarHBondContact OG1-CA 3.12Å; T135-R148 WeakPolarHBondContact OG1-CB 3.46Å; T135-R148 VanDerWaalsContact OG1-CD 3.23Å; T135-R148 WeakPolarHBondContact OG1-CD 3.32Å; T135-T149 WeakPolarHBondContact CA-OG1 3.39Å; T135-T149 PolarHBondContact N-OG1 3.31Å; T135-T149 PolarHBondContact OG1-N 2.92Å; T135-T149 PolarHBondContact OG1-OG1 2.91Å
136D90.6Very high90.5Very high92 Ų9274.2 Ų74.249%0.49237%0.374SS..  trans-47.8123177.7-73.6-35.8000111.9L134 E138 Q139 V140L134-D136 PolarHBondContact O-N 3.36Å; D136-E138 PolarHBondContact O-N 3.25Å; D136-E138 VanDerWaalsContact O-N 3.1Å; D136-Q139 HydrophobicContact CB-CB 4.22Å; D136-Q139 HydrophobicContact CB-CG 3.81Å; D136-Q139 WeakPolarHBondContact O-CB 3.32Å; D136-Q139 PolarHBondContact O-N 3.27Å; D136-Q139 PolarHBondContact OD2-NE2 3.31Å; D136-V140 PolarHBondContact O-N 3.12Å
137P88.8Confident90.4Very high106 Ų10678.8 Ų78.869%0.68840%0.398SS*.Hα-helixtrans-64.6-21.1-177.124.9-34000112.8R141P137-R141 WeakPolarHBondContact O-CB 3.49Å; P137-R141 PolarHBondContact O-N 3.19Å
138E90.9Very high90.2Very high144 Ų14478.9 Ų78.967%0.67340%0.397SS*.Hα-helixtrans-68.9-43.3171.6-62.6-146.1128.700112.4D136 V140 R141 T142D136-E138 PolarHBondContact O-N 3.25Å; D136-E138 VanDerWaalsContact O-N 3.1Å; E138-V140 VanDerWaalsContact C-N 3.32Å; E138-V140 PolarHBondContact O-N 2.84Å; E138-R141 WeakPolarHBondContact O-CB 3.13Å; E138-R141 PolarHBondContact O-N 2.81Å; E138-R141 VanDerWaalsContact O-N 3.09Å; E138-T142 PolarHBondContact O-N 3.26Å; E138-T142 PolarHBondContact O-OG1 3.08Å
139Q88.3Confident90.2Very high97 Ų9780.3 Ų80.345%0.45341%0.407SS..Hα-helixtrans-62-42.9176.3-64.4-173.546.600110.7D136 R141 T142 D143D136-Q139 HydrophobicContact CB-CB 4.22Å; D136-Q139 HydrophobicContact CB-CG 3.81Å; D136-Q139 WeakPolarHBondContact O-CB 3.32Å; D136-Q139 PolarHBondContact O-N 3.27Å; D136-Q139 PolarHBondContact OD2-NE2 3.31Å; Q139-R141 VanDerWaalsContact C-N 3.26Å; Q139-R141 PolarHBondContact O-N 2.96Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.18Å; Q139-T142 PolarHBondContact O-N 3.43Å; Q139-T142 PolarHBondContact O-OG1 3.41Å; Q139-D143 PolarHBondContact O-N 3.15Å
140V88.6Confident90.4Very high41 Ų4178.3 Ų78.325%0.24840%0.396CS..Hα-helixtrans-61-34174.1176.50000112.1T135 D136 E138 P144T135-V140 HydrophobicContact CG2-CG2 3.91Å; D136-V140 PolarHBondContact O-N 3.12Å; E138-V140 VanDerWaalsContact C-N 3.32Å; E138-V140 PolarHBondContact O-N 2.84Å; V140-P144 VanDerWaalsContact O-CA 3.31Å; V140-P144 WeakPolarHBondContact O-CA 3.34Å
141R89.8Confident90.6Very high201 Ų20173.2 Ų73.276%0.75838%0.376SS*.Hα-helixtrans-77.4-32.2177.7-164.3-177.372139.7-1.7112.8P137 E138 Q139P137-R141 WeakPolarHBondContact O-CB 3.49Å; P137-R141 PolarHBondContact O-N 3.19Å; E138-R141 WeakPolarHBondContact O-CB 3.13Å; E138-R141 PolarHBondContact O-N 2.81Å; E138-R141 VanDerWaalsContact O-N 3.09Å; Q139-R141 VanDerWaalsContact C-N 3.26Å; Q139-R141 PolarHBondContact O-N 2.96Å
142T92.8Very high90.8Very high103 Ų10372.1 Ų72.163%0.63237%0.371SS*.Hα-helixtrans-76.5-46.2175.847.40000112.4E138 Q139E138-T142 PolarHBondContact O-N 3.26Å; E138-T142 PolarHBondContact O-OG1 3.08Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.18Å; Q139-T142 PolarHBondContact O-N 3.43Å; Q139-T142 PolarHBondContact O-OG1 3.41Å
143D91.2Very high91Very high110 Ų11071 Ų7159%0.58837%0.365SS*.  trans-133.295.1179.5-95.4-55.2000109.5Q139 K145 C146Q139-D143 PolarHBondContact O-N 3.15Å; D143-K145 PolarHBondContact O-N 3.37Å; D143-C146 HydrophobicContact CB-CB 4.43Å; D143-C146 WeakPolarHBondContact O-CB 3.18Å; D143-C146 PolarHBondContact O-N 3.23Å; D143-C146 PolarHBondContact O-SG 3.23Å
144P87.6Confident91.2Very high85 Ų8568.4 Ų68.455%0.55235%0.351SS*.THydrogen-bonded Turntrans-63.9-14.6-176.224.8-34.6000113.6V140 R148V140-P144 VanDerWaalsContact O-CA 3.31Å; V140-P144 WeakPolarHBondContact O-CA 3.34Å; P144-R148 PolarHBondContact O-NH2 3.21Å
145K89.7Confident91.3Very high168 Ų16867.8 Ų67.873%0.7335%0.346SS*.THydrogen-bonded Turntrans-98.614.1175.7-61.6-168.9176-166.60114D143D143-K145 PolarHBondContact O-N 3.37Å
146C89.7Confident91.5Very high24 Ų2467.1 Ų67.116%0.16234%0.342CS..  trans-59.1141.4170.166.40000110.6D143 R148 C663D143-C146 HydrophobicContact CB-CB 4.43Å; D143-C146 WeakPolarHBondContact O-CB 3.18Å; D143-C146 PolarHBondContact O-N 3.23Å; D143-C146 PolarHBondContact O-SG 3.23Å; C146-R148 PolarHBondContact O-NE 3.26Å; C146-R148 VanDerWaalsContact O-NE 3.13Å; C146-R148 PolarHBondContact SG-NE 3.42Å; C146-C663 WeakPolarHBondContact O-CB 3.24Å
147D91.6Very high91.6Very high96 Ų9667.3 Ų67.351%0.51334%0.335SS..  trans-62.3152.8167.4-61.9-48.6000109.8L661D147-L661 CarbonylContact C-O 3.56Å; D147-L661 WeakPolarHBondContact CA-O 3.16Å
148R90.9Very high91.7Very high20 Ų2063.6 Ų63.68%0.07532%0.316CS..EExtended strand (participates in β ladder)trans-111.6150.7-168.7-56-56.7175.3103.7-5.9113.1D133 T135 P144 C146 V150 S660 L661 V666D133-R148 IonicContact OD2-CZ 3.46Å; D133-R148 IonicContact OD2-NH1 3.56Å; D133-R148 PolarHBondContact OD2-NH1 3.38Å; T135-R148 VanDerWaalsContact OG1-CA 3.25Å; T135-R148 WeakPolarHBondContact OG1-CA 3.12Å; T135-R148 WeakPolarHBondContact OG1-CB 3.46Å; T135-R148 VanDerWaalsContact OG1-CD 3.23Å; T135-R148 WeakPolarHBondContact OG1-CD 3.32Å; P144-R148 PolarHBondContact O-NH2 3.21Å; C146-R148 PolarHBondContact O-NE 3.26Å; C146-R148 VanDerWaalsContact O-NE 3.13Å; C146-R148 PolarHBondContact SG-NE 3.42Å; R148-V150 HydrophobicContact CB-CG2 4.03Å; R148-S660 PolarHBondContact O-N 2.97Å; R148-L661 PolarHBondContact N-O 2.98Å; R148-L661 PolarHBondContact O-N 3.04Å; R148-V666 HydrophobicContact CB-CG2 4.11Å; R148-V666 HydrophobicContact CG-CG2 4.01Å
149T93.8Very high91.8Very high47 Ų4757.7 Ų57.729%0.28829%0.292SS..EExtended strand (participates in β ladder)trans-97.2116.7164.741.90000108.4L134 T135 I658L134-T149 WeakPolarHBondContact CB-O 3.14Å; L134-T149 PolarHBondContact N-O 2.86Å; T135-T149 WeakPolarHBondContact CA-OG1 3.39Å; T135-T149 PolarHBondContact N-OG1 3.31Å; T135-T149 PolarHBondContact OG1-N 2.92Å; T135-T149 PolarHBondContact OG1-OG1 2.91Å; T149-I658 WeakPolarHBondContact CA-O 3.3Å
150V93.3Very high91.9Very high0 Ų057.1 Ų57.10%029%0.29CS..EExtended strand (participates in β ladder)trans-122.3132.8-173.3-176.90000110.3M131 E132 R148 L152 I658 L661 V666M131-V150 HydrophobicContact CG-CG1 3.53Å; M131-V150 HydrophobicContact SD-CG1 3.76Å; E132-V150 CarbonylContact O-C 3.48Å; E132-V150 WeakPolarHBondContact O-CA 3Å; E132-V150 VanDerWaalsContact O-CG1 3.32Å; E132-V150 WeakPolarHBondContact O-CG1 3.09Å; R148-V150 HydrophobicContact CB-CG2 4.03Å; V150-L152 HydrophobicContact CG1-CD2 3.86Å; V150-L152 HydrophobicContact CG1-CG 4.31Å; V150-I658 PolarHBondContact N-O 3.18Å; V150-I658 PolarHBondContact O-N 2.82Å; V150-L661 HydrophobicContact CB-CD1 3.58Å; V150-L661 HydrophobicContact CG1-CD1 4.43Å; V150-L661 HydrophobicContact CG2-CB 4.27Å; V150-L661 HydrophobicContact CG2-CD1 3.62Å; V150-V666 HydrophobicContact CG2-CG2 3.82Å
151S93.8Very high92Very high0 Ų055.4 Ų55.40%028%0.279CS..EExtended strand (participates in β ladder)trans-89.1125.9165.9-79.20000110.5M131 E132 L134 R655M131-S151 WeakPolarHBondContact CA-O 3.23Å; E132-S151 PolarHBondContact N-O 2.95Å; E132-S151 PolarHBondContact O-N 2.86Å; L134-S151 WeakPolarHBondContact CD1-OG 3.22Å; S151-R655 PolarHBondContact OG-NE 3.35Å; S151-R655 PolarHBondContact OG-NH2 2.98Å; S151-R655 VanDerWaalsContact OG-NH2 3.08Å
152L94.3Very high91.9Very high0 Ų051.9 Ų51.90%027%0.269CS..EExtended strand (participates in β ladder)trans-113.8119.8173.6-59.2176.3000108.7V128 M131 V150 I169 V656 I658 L677V128-L152 HydrophobicContact CG1-CB 4.22Å; V128-L152 HydrophobicContact CG1-CD2 3.99Å; V128-L152 HydrophobicContact CG2-CB 4.05Å; V128-L152 HydrophobicContact CG2-CD1 4.28Å; V128-L152 HydrophobicContact CG2-CD2 4.26Å; V128-L152 HydrophobicContact CG2-CG 4.43Å; M131-L152 HydrophobicContact CB-CD2 4Å; M131-L152 HydrophobicContact CG-CD2 3.54Å; V150-L152 HydrophobicContact CG1-CD2 3.86Å; V150-L152 HydrophobicContact CG1-CG 4.31Å; L152-I169 HydrophobicContact CD1-CD1 4Å; L152-V656 PolarHBondContact N-O 3.04Å; L152-V656 PolarHBondContact O-N 2.82Å; L152-I658 HydrophobicContact CD1-CD1 3.83Å; L152-L677 HydrophobicContact CD1-CD1 4.07Å
153Y94.6Very high91.6Very high25 Ų2550.3 Ų50.310%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-107.2141.4-179.9-55.3-105000110.7V128 D129 R130 E132 L183 Y653 I654 R655V128-Y153 WeakPolarHBondContact CA-O 3.45Å; D129-Y153 PolarHBondContact N-O 2.75Å; R130-Y153 HydrophobicContact CB-CD2 4.16Å; R130-Y153 HydrophobicContact CB-CG 4.47Å; R130-Y153 HydrophobicContact CG-CD2 4.28Å; R130-Y153 PolarHBondContact N-O 3.46Å; R130-Y153 PolarHBondContact O-N 2.85Å; E132-Y153 HydrophobicContact CB-CE2 4.42Å; E132-Y153 HydrophobicContact CG-CE2 3.92Å; E132-Y153 WeakPolarHBondContact OE2-CE2 3.33Å; E132-Y153 VanDerWaalsContact OE2-CZ 3.22Å; E132-Y153 PolarHBondContact OE2-OH 3Å; Y153-L183 HydrophobicContact CD1-CD1 3.78Å; Y153-L183 HydrophobicContact CE1-CD1 3.91Å; Y153-Y653 WeakPolarHBondContact CB-OH 3.42Å; Y153-I654 WeakPolarHBondContact CA-O 3.34Å; Y153-R655 HydrophobicContact CD1-CB 3.72Å; Y153-R655 HydrophobicContact CD1-CG 3.9Å; Y153-R655 HydrophobicContact CE1-CB 3.71Å; Y153-R655 HydrophobicContact CE1-CG 3.51Å; Y153-R655 HydrophobicContact CE2-CG 4.46Å; Y153-R655 PolarHBondContact OH-NE 3.19Å
154G94.2Very high91.4Very high0 Ų051.5 Ų51.50%026%0.257CS..EExtended strand (participates in β ladder)trans174.3174.1174.500000114.1L126 L127 D129 I654L126-G154 WeakPolarHBondContact CD1-O 3.3Å; L127-G154 WeakPolarHBondContact O-CA 3.5Å; D129-G154 WeakPolarHBondContact OD2-CA 3.3Å; G154-I654 PolarHBondContact N-O 2.88Å; G154-I654 PolarHBondContact O-N 3.47Å
155F93.9Very high91.5Very high49 Ų4948.5 Ų48.522%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-76.6126.6173.1-68-88.5000111.5D129 D185 P186 Y653D129-F155 WeakPolarHBondContact OD2-CD2 3.19Å; F155-D185 WeakPolarHBondContact CE1-OD1 3.43Å; F155-D185 WeakPolarHBondContact CZ-OD1 3.39Å; F155-P186 HydrophobicContact CE2-CG 4.25Å; F155-P186 HydrophobicContact CZ-CG 3.94Å; F155-Y653 HydrophobicContact CD1-CD2 4.07Å; F155-Y653 AromaticContact CD2-CD2 3.7Å; F155-Y653 HydrophobicContact CD2-CD2 3.7Å; F155-Y653 HydrophobicContact CD2-CE2 4.04Å; F155-Y653 HydrophobicContact CE1-CD2 4.01Å; F155-Y653 AromaticContact CE2-CD2 3.62Å; F155-Y653 HydrophobicContact CE2-CD2 3.62Å; F155-Y653 AromaticContact CE2-CE2 3.94Å; F155-Y653 HydrophobicContact CE2-CE2 3.94Å; F155-Y653 AromaticContact CG-CD2 3.93Å; F155-Y653 HydrophobicContact CG-CD2 3.93Å; F155-Y653 AromaticContact CZ-CD2 3.79Å; F155-Y653 HydrophobicContact CZ-CD2 3.79Å; F155-Y653 HydrophobicContact CZ-CE2 4.47Å
156L93.5Very high91.6Very high1 Ų145 Ų451%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-71.4137.5170.3-17958.8000110.8P124 L161 F648 P650 G651 M652 I654P124-L156 HydrophobicContact CB-CD1 4.06Å; L156-L161 HydrophobicContact CD1-CB 3.94Å; L156-L161 HydrophobicContact CD2-CB 3.61Å; L156-L161 HydrophobicContact CG-CB 4.48Å; L156-F648 HydrophobicContact CD2-CB 3.61Å; L156-F648 WeakPolarHBondContact CD2-O 3.38Å; L156-P650 CarbonylContact O-C 3.59Å; L156-P650 WeakPolarHBondContact O-CA 3.36Å; L156-G651 PolarHBondContact O-N 3.07Å; L156-M652 PolarHBondContact N-O 3.39Å; L156-I654 HydrophobicContact CB-CD1 4.01Å; L156-I654 HydrophobicContact CB-CG1 4.37Å; L156-I654 HydrophobicContact CD2-CD1 4.3Å
157R93.1Very high91.8Very high96 Ų9643.9 Ų43.936%0.36222%0.22SC..EExtended strand (participates in β ladder)trans-135.1164178.8-61.5-173.7-178.2-143.4-0.7111.2D18 Y125D18-R157 IonicContact OD2-NH1 3.42Å; D18-R157 PolarHBondContact OD2-NH1 2.66Å; Y125-R157 HydrophobicContact CD1-CB 4.39Å; Y125-R157 HydrophobicContact CD2-CB 4Å; Y125-R157 HydrophobicContact CE1-CB 3.99Å; Y125-R157 HydrophobicContact CE2-CB 3.57Å; Y125-R157 HydrophobicContact CE2-CG 4.32Å; Y125-R157 HydrophobicContact CG-CB 4.4Å; Y125-R157 PolarHBondContact N-O 3.42Å; Y125-R157 WeakPolarHBondContact O-CA 3.43Å; Y125-R157 PolarHBondContact O-N 3.02Å; Y125-R157 VanDerWaalsContact O-O 3.13Å
158G91.3Very high92Very high28 Ų2839.5 Ų39.529%0.28920%0.197SC..EExtended strand (participates in β ladder)trans81.6-127.8178.600000112.7Q120 P650Q120-G158 CarbonylContact O-C 3.59Å; Q120-G158 WeakPolarHBondContact O-CA 3.14Å; G158-P650 WeakPolarHBondContact O-CG 3.33Å
159A91.3Very high92.2Very high20 Ų2038.5 Ų38.517%0.16519%0.193CC..SBendtrans-79.9-179.9174.600000112.6H123 P124H123-A159 PolarHBondContact O-N 3.41Å; P124-A159 WeakPolarHBondContact CB-O 3.42Å
160H91.1Very high92.1Very high86 Ų8636.4 Ų36.440%0.39818%0.18SC..PPolyproline II helixtrans-72.3140.9174.253.5-107.9000112.1P124 K162 E646 F648P124-H160 WeakPolarHBondContact CB-O 3.37Å; P124-H160 WeakPolarHBondContact CG-O 3.37Å; H160-K162 VanDerWaalsContact CD2-CE 3.43Å; H160-K162 WeakPolarHBondContact CD2-CE 3.48Å; H160-K162 WeakPolarHBondContact NE2-CE 3.46Å; H160-E646 WeakPolarHBondContact CB-O 3.49Å; H160-E646 PolarHBondContact CD2-O 2.75Å; H160-F648 VanDerWaalsContact CA-O 3.22Å; H160-F648 WeakPolarHBondContact CA-O 3.46Å; H160-F648 WeakPolarHBondContact CB-O 3.49Å
161L91.3Very high92Very high5 Ų536.5 Ų36.53%0.02618%0.181CC..BIsolated β-bridgetrans-93.3136.6174.2-175.666.1000109.9P124 L156 V180 G647 F648 I654 V656P124-L161 HydrophobicContact CB-CB 4.03Å; P124-L161 HydrophobicContact CB-CD1 4.13Å; P124-L161 HydrophobicContact CG-CD1 3.94Å; L156-L161 HydrophobicContact CD1-CB 3.94Å; L156-L161 HydrophobicContact CD2-CB 3.61Å; L156-L161 HydrophobicContact CG-CB 4.48Å; L161-V180 HydrophobicContact CD2-CG2 4.4Å; L161-G647 CarbonylContact O-C 3.6Å; L161-G647 VanDerWaalsContact O-CA 3.24Å; L161-G647 WeakPolarHBondContact O-CA 3.05Å; L161-F648 HydrophobicContact CB-CB 4.34Å; L161-F648 PolarHBondContact N-O 2.95Å; L161-F648 VanDerWaalsContact N-O 3.08Å; L161-F648 WeakPolarHBondContact O-CD2 3.37Å; L161-F648 PolarHBondContact O-N 2.91Å; L161-I654 HydrophobicContact CD2-CD1 3.8Å; L161-V656 HydrophobicContact CD2-CG2 4.36Å
162K88Confident91.9Very high126 Ų12636.9 Ų36.955%0.54818%0.183SC..PPolyproline II helixtrans-103.4137.5176.9-58.2-166.2177.9-1640110.2H160 G165H160-K162 VanDerWaalsContact CD2-CE 3.43Å; H160-K162 WeakPolarHBondContact CD2-CE 3.48Å; H160-K162 WeakPolarHBondContact NE2-CE 3.46Å; K162-G165 PolarHBondContact O-N 3.19Å
163N86Confident91.8Very high71 Ų7137.5 Ų37.538%0.3819%0.19SC..THydrogen-bonded Turntrans-59.7146176.8-160.4-11.4000110G165 D179 F648N163-G165 PolarHBondContact O-N 3.27Å; N163-G165 VanDerWaalsContact O-N 3.15Å; N163-D179 PolarHBondContact ND2-OD1 2.88Å; N163-F648 HydrophobicContact CB-CE2 4.35Å
164K87.5Confident91.8Very high134 Ų13439.8 Ų39.858%0.58320%0.203SC*.THydrogen-bonded Turntrans58.618.6-175.4-55.6-179.4-178.7176.80115.1Q176 V177K164-Q176 WeakPolarHBondContact O-CG 3.36Å; K164-Q176 PolarHBondContact O-NE2 3.46Å; K164-V177 WeakPolarHBondContact CA-O 3.48Å
165G88Confident91.8Very high23 Ų2341.3 Ų41.324%0.23721%0.21CC..  trans-65.7161.9173.500000113.8K162 N163 V177K162-G165 PolarHBondContact O-N 3.19Å; N163-G165 PolarHBondContact O-N 3.27Å; N163-G165 VanDerWaalsContact O-N 3.15Å; G165-V177 PolarHBondContact O-N 2.79Å
166Q92.5Very high91.7Very high94 Ų9444.7 Ų44.744%0.43923%0.227SC..EExtended strand (participates in β ladder)trans-84.7138.3170.5-70.4-172.4-15.800110.7F175 L680Q166-F175 WeakPolarHBondContact CA-O 3.47Å; Q166-L680 HydrophobicContact CB-CB 4.18Å; Q166-L680 HydrophobicContact CB-CD1 4.2Å; Q166-L680 PolarHBondContact O-N 3.45Å
167V94.1Very high91.7Very high0 Ų044.9 Ų44.90%023%0.228CC..EExtended strand (participates in β ladder)trans-134.6145.8-176.1-65.50000110.6F175 V177 I658 L677 G678V167-F175 HydrophobicContact CG2-CB 4.25Å; V167-F175 PolarHBondContact N-O 2.94Å; V167-F175 PolarHBondContact O-N 3.48Å; V167-V177 HydrophobicContact CB-CG2 4.41Å; V167-V177 HydrophobicContact CG1-CG2 3.58Å; V167-V177 HydrophobicContact CG2-CG2 3.88Å; V167-I658 HydrophobicContact CG2-CD1 4.08Å; V167-L677 HydrophobicContact CB-CD2 3.93Å; V167-L677 HydrophobicContact CB-CG 4.09Å; V167-L677 HydrophobicContact CG1-CD2 3.6Å; V167-L677 HydrophobicContact CG1-CG 4.25Å; V167-L677 HydrophobicContact CG2-CG 4.46Å; V167-G678 CarbonylContact C-O 3.6Å; V167-G678 WeakPolarHBondContact CA-O 3.23Å
168H95.1Very high91.5Very high4 Ų442.1 Ų42.12%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-111.2130.2171.5-174.772000110G173 D174 G678 L680 W716H168-G173 PolarHBondContact ND1-O 3.35Å; H168-G173 VanDerWaalsContact ND1-O 3.09Å; H168-D174 IonicContact CE1-OD1 2.69Å; H168-D174 IonicContact CG-OD1 2.79Å; H168-D174 IonicContact ND1-OD1 2.95Å; H168-D174 PolarHBondContact ND1-OD1 2.75Å; H168-G678 PolarHBondContact N-O 2.87Å; H168-G678 PolarHBondContact O-N 3.02Å; H168-L680 HydrophobicContact CB-CD1 4.2Å; H168-L680 HydrophobicContact CB-CD2 4.11Å; H168-L680 HydrophobicContact CB-CG 4.22Å; H168-W716 HydrophobicContact CB-CB 4.16Å
169I95.3Very high91.6Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-102.9106.8167.9-60174.5000107.3L152 G171 V172 G173 F175 I658 L661 I675L152-I169 HydrophobicContact CD1-CD1 4Å; I169-G171 PolarHBondContact O-N 2.86Å; I169-G171 VanDerWaalsContact O-N 3.12Å; I169-V172 HydrophobicContact CB-CB 4.06Å; I169-V172 HydrophobicContact CB-CG2 4.28Å; I169-V172 HydrophobicContact CG2-CB 3.96Å; I169-V172 HydrophobicContact CG2-CG2 3.61Å; I169-V172 PolarHBondContact O-N 3.34Å; I169-G173 PolarHBondContact N-O 2.82Å; I169-G173 PolarHBondContact O-N 3.31Å; I169-F175 HydrophobicContact CD1-CD2 4.37Å; I169-I658 HydrophobicContact CD1-CD1 3.92Å; I169-L661 HydrophobicContact CD1-CD2 4.21Å; I169-I675 HydrophobicContact CG2-CG2 3.96Å
170P93.1Very high91.6Very high3 Ų344.1 Ų44.12%0.01923%0.231CC..THydrogen-bonded Turntrans-58.8116.6-177.8-24.135.1000111.8D12 I676 R718 L884D12-P170 VanDerWaalsContact OD2-CB 3.25Å; D12-P170 WeakPolarHBondContact OD2-CB 3.38Å; P170-I676 WeakPolarHBondContact CD-O 3.43Å; P170-R718 PolarHBondContact O-NH2 2.89Å; P170-R718 VanDerWaalsContact O-NH2 3.11Å; P170-L884 VanDerWaalsContact O-CD1 3.3Å; P170-L884 WeakPolarHBondContact O-CD1 3.25Å
171G89.6Confident91.6Very high1 Ų141.5 Ų41.51%0.0123%0.227CC..THydrogen-bonded Turntrans101.1-5.4-176.300000115I169 R718 V881 T882 S883 L884I169-G171 PolarHBondContact O-N 2.86Å; I169-G171 VanDerWaalsContact O-N 3.12Å; G171-R718 VanDerWaalsContact N-NH2 3.16Å; G171-V881 VanDerWaalsContact CA-O 3.3Å; G171-V881 WeakPolarHBondContact CA-O 3.18Å; G171-T882 CarbonylContact O-C 3.58Å; G171-T882 VanDerWaalsContact O-CA 3.22Å; G171-T882 WeakPolarHBondContact O-CA 3.5Å; G171-S883 PolarHBondContact O-N 3.14Å; G171-L884 PolarHBondContact O-N 2.87Å
172V92.3Very high91.6Very high9 Ų945.1 Ų45.16%0.05524%0.243CC..THydrogen-bonded Turntrans-119.5-66.9175.4-173.20000110.3I169 F175 L661 F665 L884 L885I169-V172 HydrophobicContact CB-CB 4.06Å; I169-V172 HydrophobicContact CB-CG2 4.28Å; I169-V172 HydrophobicContact CG2-CB 3.96Å; I169-V172 HydrophobicContact CG2-CG2 3.61Å; I169-V172 PolarHBondContact O-N 3.34Å; V172-F175 HydrophobicContact CB-CE2 4.19Å; V172-F175 HydrophobicContact CG1-CE2 3.6Å; V172-F175 HydrophobicContact CG1-CZ 3.72Å; V172-L661 HydrophobicContact CG1-CD2 3.95Å; V172-F665 HydrophobicContact CG1-CG 4.43Å; V172-F665 HydrophobicContact CG2-CD2 3.43Å; V172-F665 VanDerWaalsContact CG2-CD2 3.43Å; V172-F665 HydrophobicContact CG2-CE2 3.52Å; V172-F665 HydrophobicContact CG2-CG 4.06Å; V172-F665 HydrophobicContact CG2-CZ 4.2Å; V172-L884 HydrophobicContact CG2-CB 4Å; V172-L884 HydrophobicContact CG2-CD1 4.22Å; V172-L885 HydrophobicContact CG1-CD2 4Å
173G92.8Very high91.7Very high13 Ų1342.9 Ų42.913%0.13424%0.237CC..EExtended strand (participates in β ladder)trans168.8-175.5-17300000115.1H168 I169H168-G173 PolarHBondContact ND1-O 3.35Å; H168-G173 VanDerWaalsContact ND1-O 3.09Å; I169-G173 PolarHBondContact N-O 2.82Å; I169-G173 PolarHBondContact O-N 3.31Å
174D93.9Very high91.9Very high72 Ų7244.6 Ų44.639%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-94.1131.9168.6-64.4-0.7000108.3H168 R717H168-D174 IonicContact CE1-OD1 2.69Å; H168-D174 IonicContact CG-OD1 2.79Å; H168-D174 IonicContact ND1-OD1 2.95Å; H168-D174 PolarHBondContact ND1-OD1 2.75Å; D174-R717 VanDerWaalsContact CG-NE 3.31Å; D174-R717 IonicContact OD1-CZ 3.96Å; D174-R717 IonicContact OD1-NE 2.71Å; D174-R717 PolarHBondContact OD1-NE 2.79Å; D174-R717 IonicContact OD1-NH2 3.28Å; D174-R717 IonicContact OD2-CZ 2.73Å; D174-R717 VanDerWaalsContact OD2-CZ 3.25Å; D174-R717 IonicContact OD2-NE 3.15Å; D174-R717 PolarHBondContact OD2-NE 2.93Å; D174-R717 IonicContact OD2-NH2 3.88Å; D174-R717 PolarHBondContact OD2-NH2 3Å
175F93.6Very high92.1Very high33 Ų3341 Ų4115%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-134.9165.9-179.5-61.3-82.5000110.9Q166 V167 I169 V172 I658 S660 L661Q166-F175 WeakPolarHBondContact CA-O 3.47Å; V167-F175 HydrophobicContact CG2-CB 4.25Å; V167-F175 PolarHBondContact N-O 2.94Å; V167-F175 PolarHBondContact O-N 3.48Å; I169-F175 HydrophobicContact CD1-CD2 4.37Å; V172-F175 HydrophobicContact CB-CE2 4.19Å; V172-F175 HydrophobicContact CG1-CE2 3.6Å; V172-F175 HydrophobicContact CG1-CZ 3.72Å; F175-I658 HydrophobicContact CB-CG2 3.76Å; F175-I658 HydrophobicContact CD1-CG2 4.28Å; F175-I658 HydrophobicContact CG-CG2 4.04Å; F175-S660 WeakPolarHBondContact CE1-O 3.38Å; F175-L661 HydrophobicContact CD1-CD2 4.24Å; F175-L661 HydrophobicContact CD2-CD2 4.09Å; F175-L661 HydrophobicContact CE1-CD2 3.85Å; F175-L661 HydrophobicContact CE1-CG 4.36Å; F175-L661 HydrophobicContact CE2-CD2 3.68Å; F175-L661 HydrophobicContact CG-CD2 4.37Å; F175-L661 HydrophobicContact CZ-CD2 3.57Å
176Q93.1Very high92.1Very high120 Ų12042 Ų4256%0.56124%0.243SC*.EExtended strand (participates in β ladder)trans-106.7139.3166.3-171.8168.68.800108.9K164K164-Q176 WeakPolarHBondContact O-CG 3.36Å; K164-Q176 PolarHBondContact O-NE2 3.46Å
177V92.8Very high91.9Very high4 Ų439.2 Ų39.22%0.02423%0.234CC..  trans-69.4133.2174.3176.20000109.6K164 G165 V167 D179 V180 V656K164-V177 WeakPolarHBondContact CA-O 3.48Å; G165-V177 PolarHBondContact O-N 2.79Å; V167-V177 HydrophobicContact CB-CG2 4.41Å; V167-V177 HydrophobicContact CG1-CG2 3.58Å; V167-V177 HydrophobicContact CG2-CG2 3.88Å; V177-D179 WeakPolarHBondContact CG1-O 3.49Å; V177-V180 HydrophobicContact CG1-CG2 3.49Å; V177-V180 VanDerWaalsContact CG1-CG2 3.49Å; V177-V656 HydrophobicContact CB-CG1 4.44Å; V177-V656 HydrophobicContact CG1-CG1 3.76Å; V177-V656 HydrophobicContact CG2-CG1 3.86Å
178G89.8Confident91.5Very high39 Ų3942.8 Ų42.840%0.40226%0.257SS..  trans-75.9-60.5174.700000110.9E657G178-E657 PolarHBondContact N-O 2.7Å
179D91.9Very high91Very high81 Ų8149.7 Ų49.743%0.43329%0.293SS..EExtended strand (participates in β ladder)trans-148.3167.2172.6-166.133.9000111.9N163 V177 E657N163-D179 PolarHBondContact ND2-OD1 2.88Å; V177-D179 WeakPolarHBondContact CG1-O 3.49Å; D179-E657 PolarHBondContact O-N 3.46Å
180V92.4Very high90.3Very high8 Ų852.3 Ų52.35%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-136.4120.3175.5-174.40000110.2L161 V177 F648 I654 R655 V656L161-V180 HydrophobicContact CD2-CG2 4.4Å; V177-V180 HydrophobicContact CG1-CG2 3.49Å; V177-V180 VanDerWaalsContact CG1-CG2 3.49Å; V180-F648 HydrophobicContact CB-CD2 4.22Å; V180-F648 HydrophobicContact CB-CE1 4.2Å; V180-F648 HydrophobicContact CB-CE2 3.53Å; V180-F648 HydrophobicContact CB-CZ 3.53Å; V180-F648 HydrophobicContact CG1-CD1 3.99Å; V180-F648 HydrophobicContact CG1-CD2 3.89Å; V180-F648 HydrophobicContact CG1-CE1 3.69Å; V180-F648 HydrophobicContact CG1-CE2 3.63Å; V180-F648 HydrophobicContact CG1-CG 4.1Å; V180-F648 HydrophobicContact CG1-CZ 3.53Å; V180-F648 HydrophobicContact CG2-CE2 4.21Å; V180-F648 WeakPolarHBondContact O-CZ 3.37Å; V180-I654 HydrophobicContact CG1-CB 4.11Å; V180-I654 HydrophobicContact CG1-CD1 3.98Å; V180-R655 WeakPolarHBondContact CA-O 3.13Å; V180-V656 HydrophobicContact CG1-CG2 4.26Å; V180-V656 HydrophobicContact CG2-CG1 4.37Å; V180-V656 HydrophobicContact CG2-CG2 4.34Å
181G91.1Very high89.2Confident31 Ų3159.8 Ų59.832%0.3235%0.35SS..EExtended strand (participates in β ladder)trans-98142.2166.600000111I654 R655G181-I654 CarbonylContact O-C 3.54Å; G181-I654 WeakPolarHBondContact O-CA 3.48Å; G181-I654 WeakPolarHBondContact O-CB 3.35Å; G181-R655 PolarHBondContact N-O 3.42Å; G181-R655 PolarHBondContact O-N 3.31Å
182F90.1Very high88Confident81 Ų8162.7 Ų62.736%0.35537%0.374SS..EExtended strand (participates in β ladder)trans-91.2154.5162.767.3-88000110.4E640 F648 M652 I654F182-E640 HydrophobicContact CE1-CG 4.1Å; F182-E640 HydrophobicContact CZ-CG 3.95Å; F182-F648 HydrophobicContact CB-CD1 4.25Å; F182-F648 HydrophobicContact CB-CE1 4.2Å; F182-F648 HydrophobicContact CD1-CE1 4.21Å; F182-M652 HydrophobicContact CB-CE 3.79Å; F182-M652 HydrophobicContact CD2-CE 4.03Å; F182-M652 HydrophobicContact CG-CE 3.88Å; F182-I654 HydrophobicContact CB-CG2 4.23Å
183L91.1Very high86.4Confident80 Ų8074 Ų7442%0.41942%0.416SS..EExtended strand (participates in β ladder)trans-135.8161.6-176.8-68.4173.6000109.9Y153 Y653 R655Y153-L183 HydrophobicContact CD1-CD1 3.78Å; Y153-L183 HydrophobicContact CE1-CD1 3.91Å; L183-Y653 HydrophobicContact CB-CD1 3.99Å; L183-Y653 HydrophobicContact CD1-CD1 4.22Å; L183-Y653 HydrophobicContact CD1-CE1 4.23Å; L183-Y653 PolarHBondContact N-O 2.98Å; L183-R655 HydrophobicContact CD1-CB 4.17Å
184S90.3Very high84.6Confident107 Ų10783.3 Ų83.375%0.74845%0.453SS*.  trans-60139.7168.3540000111
185D90.2Very high83.2Confident59 Ų5985.6 Ų85.632%0.31646%0.459SS..  trans-58.7125175.6-172.2-17.2000110.9F155 C187 P188F155-D185 WeakPolarHBondContact CE1-OD1 3.43Å; F155-D185 WeakPolarHBondContact CZ-OD1 3.39Å; D185-C187 VanDerWaalsContact C-N 3.25Å; D185-C187 PolarHBondContact O-N 2.72Å; D185-C187 VanDerWaalsContact OD1-C 3.29Å; D185-C187 PolarHBondContact OD1-N 2.9Å; D185-P188 HydrophobicContact CB-CB 4.49Å; D185-P188 WeakPolarHBondContact O-CD 3.49Å
186P88.7Confident82.3Confident42 Ų4296.8 Ų96.827%0.27350%0.501SS..SBendtrans-73.4-10.8176.129.8-35.8000114.3F155 Y206 Y653F155-P186 HydrophobicContact CE2-CG 4.25Å; F155-P186 HydrophobicContact CZ-CG 3.94Å; P186-Y206 HydrophobicContact CB-CD1 4.3Å; P186-Y206 HydrophobicContact CB-CD2 3.66Å; P186-Y206 HydrophobicContact CB-CE1 4.4Å; P186-Y206 HydrophobicContact CB-CE2 3.78Å; P186-Y206 HydrophobicContact CB-CG 3.94Å; P186-Y206 HydrophobicContact CG-CD1 3.9Å; P186-Y206 HydrophobicContact CG-CD2 4.19Å; P186-Y206 HydrophobicContact CG-CE1 3.96Å; P186-Y206 HydrophobicContact CG-CE2 4.24Å; P186-Y206 HydrophobicContact CG-CG 4.02Å; P186-Y653 HydrophobicContact CG-CD1 4.36Å; P186-Y653 HydrophobicContact CG-CD2 4.08Å; P186-Y653 HydrophobicContact CG-CE1 4.38Å; P186-Y653 HydrophobicContact CG-CE2 4.08Å; P186-Y653 HydrophobicContact CG-CG 4.25Å
187C87.9Confident81.6Confident36 Ų3694.5 Ų94.524%0.24350%0.502CS..SBendtrans-14066.6175.1-84.80000110.7D185 L204 Y206D185-C187 VanDerWaalsContact C-N 3.25Å; D185-C187 PolarHBondContact O-N 2.72Å; D185-C187 VanDerWaalsContact OD1-C 3.29Å; D185-C187 PolarHBondContact OD1-N 2.9Å; C187-L204 HydrophobicContact CB-CB 4.5Å; C187-Y206 VanDerWaalsContact SG-CB 3.5Å
188P87.1Confident81.1Confident76 Ų7698.9 Ų98.949%0.49453%0.525SS..PPolyproline II helixtrans-60.7141.9-174.826.9-35.3000112.1D185 L204D185-P188 HydrophobicContact CB-CB 4.49Å; D185-P188 WeakPolarHBondContact O-CD 3.49Å; P188-L204 HydrophobicContact CG-CD1 4.44Å
189L83.1Confident80.8Confident148 Ų148100.8 Ų100.878%0.77553%0.526SS*.PPolyproline II helixtrans-68.7140175.6-63.5175.6000110.8D191L189-D191 PolarHBondContact O-N 2.68Å
190P82.3Confident80.3Confident56 Ų56104 Ų10436%0.36454%0.538SS..PPolyproline II helixtrans-62.6125.2178.2-23.533.8000112.9A192 E202P190-A192 PolarHBondContact O-N 3.43Å; P190-E202 HydrophobicContact CG-CB 4.1Å; P190-E202 HydrophobicContact CG-CG 4.2Å
191D69Low79.9Confident159 Ų159113.1 Ų113.185%0.8558%0.577SS**SBendtrans-58.6-35.1-175.8-51.5-73.3000113.2L189 R193L189-D191 PolarHBondContact O-N 2.68Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 2.97Å
192A64.4Low79.5Confident62 Ų62114.2 Ų114.251%0.51257%0.574SS.*  trans-77.277-17700000112.2P190 K194P190-A192 PolarHBondContact O-N 3.43Å; A192-K194 PolarHBondContact O-N 2.94Å
193R58.8Low79.3Confident246 Ų246117.3 Ų117.393%0.92858%0.583SS**  trans-53.34.4-178.5-62.2-175.6-179.4175.92.1117.6D191D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 2.97Å
194K55.7Low79.1Confident209 Ų209118.4 Ų118.491%0.90959%0.589SS**  trans-131.444.8-170.7-69.1-173.5172.9-178.60114.6A192A192-K194 PolarHBondContact O-N 2.94Å
195K64.7Low79.1Confident120 Ų120119.6 Ų119.652%0.52259%0.586SS.*  trans-116.4133.2166.2-66.9-179.1-172.2167.90110.9A197 E202K195-A197 PolarHBondContact O-N 3.27Å; K195-E202 IonicContact NZ-OE1 2.82Å
196R72.9Confident79Confident269 Ų269120.6 Ų120.6100%1.01559%0.586SS**SBendtrans-73.8-7.4179-75.3-175.7174.7177.7-1.7114.2
197A78.8Confident79Confident72 Ų72120.2 Ų120.260%0.59559%0.587SS**SBendtrans-147.8146176.900000110.6K195K195-A197 PolarHBondContact O-N 3.27Å
198L82Confident78.9Confident96 Ų96119.8 Ų119.850%0.50358%0.584SS.*  trans-85.7136.2173.9-78.281.3000111.5E202 R203L198-E202 WeakPolarHBondContact CA-OE2 3.43Å; L198-E202 HydrophobicContact CB-CB 4.34Å; L198-E202 HydrophobicContact CD2-CB 4.23Å; L198-E202 HydrophobicContact CG-CB 4.49Å; L198-R203 PolarHBondContact O-NH2 2.85Å
199N83.8Confident78.6Confident78 Ų78119 Ų11942%0.41757%0.574SS.*  trans-69.1163.4169.5-62-64.5000111K201 E202N199-K201 PolarHBondContact O-N 3.06Å; N199-E202 HydrophobicContact CB-CG 4.13Å; N199-E202 PolarHBondContact N-OE2 2.72Å; N199-E202 VanDerWaalsContact ND2-CD 3.33Å; N199-E202 PolarHBondContact ND2-OE1 2.84Å; N199-E202 PolarHBondContact ND2-OE2 3.33Å; N199-E202 WeakPolarHBondContact O-CB 3.2Å; N199-E202 PolarHBondContact O-N 3.08Å; N199-E202 VanDerWaalsContact O-N 3.11Å
200E82.1Confident78.6Confident150 Ų150114.1 Ų114.170%0.70156%0.555SS**G310 helixtrans-71.9-33.5-175.6-47-151.112400112.1E202 R203E200-E202 PolarHBondContact O-N 2.87Å; E200-R203 PolarHBondContact O-N 2.96Å; E200-R203 VanDerWaalsContact O-N 3.09Å; E200-R203 IonicContact OE1-CZ 3.96Å; E200-R203 IonicContact OE1-NH1 3.75Å; E200-R203 PolarHBondContact OE1-NH1 3.41Å; E200-R203 IonicContact OE1-NH2 4Å
201K83.9Confident78.5Confident198 Ų198113.6 Ų113.686%0.86156%0.56SS**G310 helixtrans-61.6-23170.1-64.1-172.8176.6-173.70113.7N199N199-K201 PolarHBondContact O-N 3.06Å
202E83.5Confident79Confident55 Ų55108.9 Ų108.926%0.25754%0.536SS..G310 helixtrans-89-3.9179.3-62.5159.7-17200111.6P190 K195 L198 N199 E200 L204P190-E202 HydrophobicContact CG-CB 4.1Å; P190-E202 HydrophobicContact CG-CG 4.2Å; K195-E202 IonicContact NZ-OE1 2.82Å; L198-E202 WeakPolarHBondContact CA-OE2 3.43Å; L198-E202 HydrophobicContact CB-CB 4.34Å; L198-E202 HydrophobicContact CD2-CB 4.23Å; L198-E202 HydrophobicContact CG-CB 4.49Å; N199-E202 HydrophobicContact CB-CG 4.13Å; N199-E202 PolarHBondContact N-OE2 2.72Å; N199-E202 VanDerWaalsContact ND2-CD 3.33Å; N199-E202 PolarHBondContact ND2-OE1 2.84Å; N199-E202 PolarHBondContact ND2-OE2 3.33Å; N199-E202 WeakPolarHBondContact O-CB 3.2Å; N199-E202 PolarHBondContact O-N 3.08Å; N199-E202 VanDerWaalsContact O-N 3.11Å; E200-E202 PolarHBondContact O-N 2.87Å; E202-L204 PolarHBondContact O-N 2.82Å
203R85.7Confident79.6Confident145 Ų145109.7 Ų109.755%0.54755%0.551SS.*  trans-95.859.2178.7-61.4174.2-157.4152.610.1110.9L198 E200L198-R203 PolarHBondContact O-NH2 2.85Å; E200-R203 PolarHBondContact O-N 2.96Å; E200-R203 VanDerWaalsContact O-N 3.09Å; E200-R203 IonicContact OE1-CZ 3.96Å; E200-R203 IonicContact OE1-NH1 3.75Å; E200-R203 PolarHBondContact OE1-NH1 3.41Å; E200-R203 IonicContact OE1-NH2 4Å
204L86.8Confident80.6Confident104 Ų10498.8 Ų98.855%0.54552%0.515SS..  trans-65.4150.5175.2-60.4174.3000111C187 P188 E202C187-L204 HydrophobicContact CB-CB 4.5Å; P188-L204 HydrophobicContact CG-CD1 4.44Å; E202-L204 PolarHBondContact O-N 2.82Å
205L88.9Confident81.9Confident132 Ų13292 Ų9269%0.69149%0.488SS*.  trans-133.6120.6176.717563.4000109.4V212L205-V212 HydrophobicContact CD2-CG1 4.3Å; L205-V212 HydrophobicContact CD2-CG2 4.46Å
206Y89.4Confident82.8Confident79 Ų7988.6 Ų88.631%0.3148%0.478SS..  trans-116.6118.7174.6-175.1-106.6000110.4D129 P186 C187 P208 Y653D129-Y206 HydrophobicContact CB-CE1 4.07Å; P186-Y206 HydrophobicContact CB-CD1 4.3Å; P186-Y206 HydrophobicContact CB-CD2 3.66Å; P186-Y206 HydrophobicContact CB-CE1 4.4Å; P186-Y206 HydrophobicContact CB-CE2 3.78Å; P186-Y206 HydrophobicContact CB-CG 3.94Å; P186-Y206 HydrophobicContact CG-CD1 3.9Å; P186-Y206 HydrophobicContact CG-CD2 4.19Å; P186-Y206 HydrophobicContact CG-CE1 3.96Å; P186-Y206 HydrophobicContact CG-CE2 4.24Å; P186-Y206 HydrophobicContact CG-CG 4.02Å; C187-Y206 VanDerWaalsContact SG-CB 3.5Å; Y206-P208 HydrophobicContact CE1-CG 3.8Å; Y206-P208 HydrophobicContact CE2-CB 4.33Å; Y206-P208 HydrophobicContact CE2-CG 4.33Å; Y206-Y653 HydrophobicContact CE1-CE2 4.29Å; Y206-Y653 PolarHBondContact OH-OH 3.14Å
207A88.2Confident83.2Confident35 Ų3582 Ų8229%0.28945%0.454SS..  trans-155.976.6175.700000109.4M209 A210 V212A207-M209 VanDerWaalsContact C-N 3.27Å; A207-M209 PolarHBondContact O-N 3.15Å; A207-A210 HydrophobicContact CB-CB 3.92Å; A207-A210 PolarHBondContact O-N 3.06Å; A207-V212 HydrophobicContact CB-CG2 3.92Å
208P84.9Confident83.2Confident27 Ų2782.3 Ų82.318%0.17545%0.445CS..THydrogen-bonded Turntrans-68.8-19.5-165.529.3-38.5000114.5D129 R130 Y206D129-P208 HydrophobicContact CB-CG 4.37Å; D129-P208 WeakPolarHBondContact O-CG 3.2Å; R130-P208 HydrophobicContact CB-CB 4.49Å; R130-P208 HydrophobicContact CB-CG 4.02Å; Y206-P208 HydrophobicContact CE1-CG 3.8Å; Y206-P208 HydrophobicContact CE2-CB 4.33Å; Y206-P208 HydrophobicContact CE2-CG 4.33Å
209M82.6Confident83Confident59 Ų5983.4 Ų83.429%0.29145%0.446SS..THydrogen-bonded Turntrans-96.111.8173.3-61.8-171.1-179.500113.7M131 A207 F669 A671M131-M209 HydrophobicContact CB-CE 3.95Å; A207-M209 VanDerWaalsContact C-N 3.27Å; A207-M209 PolarHBondContact O-N 3.15Å; M209-F669 HydrophobicContact CE-CE1 4.08Å; M209-F669 HydrophobicContact CE-CZ 3.62Å; M209-F669 HydrophobicContact SD-CE1 4.12Å; M209-F669 HydrophobicContact SD-CZ 3.63Å; M209-A671 HydrophobicContact CB-CB 4.2Å; M209-A671 HydrophobicContact SD-CB 3.99Å
210A82Confident82.6Confident46 Ų4687.9 Ų87.938%0.3847%0.47SS..SBendtrans-122.2157.2179.800000111.3A207 V212A207-A210 HydrophobicContact CB-CB 3.92Å; A207-A210 PolarHBondContact O-N 3.06Å; A210-V212 PolarHBondContact O-N 2.82Å
211G79.7Confident82.6Confident44 Ų4482.5 Ų82.545%0.45445%0.452SS..  trans-70.251.8-177.300000115.7G213 G214 L215G211-G213 PolarHBondContact O-N 3.34Å; G211-G214 PolarHBondContact O-N 3.45Å; G211-G214 VanDerWaalsContact O-N 3.14Å; G211-L215 CarbonylContact C-O 3.55Å; G211-L215 WeakPolarHBondContact CA-O 3.32Å
212V81.2Confident82.8Confident60 Ų6076.5 Ų76.536%0.36443%0.431SS..BIsolated β-bridgetrans-66118.2-178.1-1770000109.4L205 A207 A210 G214 L215L205-V212 HydrophobicContact CD2-CG1 4.3Å; L205-V212 HydrophobicContact CD2-CG2 4.46Å; A207-V212 HydrophobicContact CB-CG2 3.92Å; A210-V212 PolarHBondContact O-N 2.82Å; V212-G214 PolarHBondContact O-N 3.3Å; V212-L215 PolarHBondContact O-N 2.94Å
213G76.2Confident82.9Confident79 Ų7980.4 Ų80.481%0.81445%0.445SS*.THydrogen-bonded Turntrans67.117.7-176.700000114.7G211G211-G213 PolarHBondContact O-N 3.34Å
214G79.3Confident83Confident18 Ų1878.6 Ų78.619%0.18645%0.445CS..THydrogen-bonded Turntrans86.72.2-176.400000114.8G211 V212 I224 D225G211-G214 PolarHBondContact O-N 3.45Å; G211-G214 VanDerWaalsContact O-N 3.14Å; V212-G214 PolarHBondContact O-N 3.3Å; G214-I224 WeakPolarHBondContact O-CA 3.22Å; G214-D225 PolarHBondContact O-N 3.19Å
215L84Confident82.7Confident65 Ų6579.5 Ų79.534%0.3445%0.45SS..EExtended strand (participates in β ladder)trans-95.5116.4175.3-70.2128.6000110.6G211 V212 Y217 V222 Y223 I224G211-L215 CarbonylContact C-O 3.55Å; G211-L215 WeakPolarHBondContact CA-O 3.32Å; V212-L215 PolarHBondContact O-N 2.94Å; L215-Y217 HydrophobicContact CB-CE2 4.36Å; L215-V222 HydrophobicContact CD2-CG1 3.94Å; L215-Y223 WeakPolarHBondContact CA-O 3.49Å; L215-I224 HydrophobicContact CD2-CD1 4.07Å; L215-I224 HydrophobicContact CD2-CG1 3.95Å
216V83.1Confident82.2Confident49 Ų4977.8 Ų77.830%0.29744%0.441SS..EExtended strand (participates in β ladder)trans-111.9120.7174.3178.80000109.3Y223V216-Y223 PolarHBondContact N-O 3.11Å; V216-Y223 PolarHBondContact O-N 3.25Å
217Y80.6Confident81.6Confident130 Ų13077.5 Ų77.551%0.5145%0.449SS..EExtended strand (participates in β ladder)trans-91.9125174.7-63-92.6000110.2L215 V222L215-Y217 HydrophobicContact CB-CE2 4.36Å; Y217-V222 HydrophobicContact CD1-CG1 4.36Å; Y217-V222 HydrophobicContact CD1-CG2 3.7Å; Y217-V222 HydrophobicContact CE1-CG1 4.17Å; Y217-V222 HydrophobicContact CE1-CG2 3.75Å
218D79.4Confident80.5Confident79 Ų7979.1 Ų79.142%0.42246%0.462SS..EExtended strand (participates in β ladder)trans-129.298.8170.1-176.518000109.6D220 A221 Y223D218-D220 PolarHBondContact O-N 3.45Å; D218-A221 PolarHBondContact N-O 3.27Å; D218-A221 PolarHBondContact O-N 2.85Å; D218-Y223 HydrophobicContact CB-CD2 4.44Å; D218-Y223 HydrophobicContact CB-CE2 3.95Å
219K76.9Confident79.4Confident120 Ų12081.6 Ų81.652%0.52248%0.48SS..THydrogen-bonded Turntrans54.3-102.5-177.3-60.5172.7177.6-177.60111.7V666K219-V666 PolarHBondContact NZ-O 2.94Å
220D77.1Confident78.3Confident171 Ų17183.4 Ų83.491%0.91449%0.488SS*.THydrogen-bonded Turntrans-97-5.5-176.1-43.5-52.8000112.6D218D218-D220 PolarHBondContact O-N 3.45Å
221A82.3Confident77.2Confident38 Ų3883.9 Ų83.931%0.31449%0.486SS..EExtended strand (participates in β ladder)trans-106.9146.7-177.900000112.2D218 Y223D218-A221 PolarHBondContact N-O 3.27Å; D218-A221 PolarHBondContact O-N 2.85Å; A221-Y223 HydrophobicContact CB-CE2 4.31Å
222V86.3Confident76Confident72 Ų7286.2 Ų86.244%0.43649%0.488SS..EExtended strand (participates in β ladder)trans-122115.1171.5-171.60000108.4L215 Y217 I224L215-V222 HydrophobicContact CD2-CG1 3.94Å; Y217-V222 HydrophobicContact CD1-CG1 4.36Å; Y217-V222 HydrophobicContact CD1-CG2 3.7Å; Y217-V222 HydrophobicContact CE1-CG1 4.17Å; Y217-V222 HydrophobicContact CE1-CG2 3.75Å; V222-I224 HydrophobicContact CG1-CG1 4.27Å
223Y86.1Confident74.7Confident136 Ų13688.1 Ų88.153%0.53349%0.493SS..EExtended strand (participates in β ladder)trans-91.1138.4172.1-59.2-77.3000109.3L215 V216 D218 A221L215-Y223 WeakPolarHBondContact CA-O 3.49Å; V216-Y223 PolarHBondContact N-O 3.11Å; V216-Y223 PolarHBondContact O-N 3.25Å; D218-Y223 HydrophobicContact CB-CD2 4.44Å; D218-Y223 HydrophobicContact CB-CE2 3.95Å; A221-Y223 HydrophobicContact CB-CE2 4.31Å
224I87.3Confident73.6Confident107 Ų10789.6 Ų89.655%0.54948%0.482SS..EExtended strand (participates in β ladder)trans-127.5104.7-177.1-54.6-178.2000109.1G214 L215 V222 L226G214-I224 WeakPolarHBondContact O-CA 3.22Å; L215-I224 HydrophobicContact CD2-CD1 4.07Å; L215-I224 HydrophobicContact CD2-CG1 3.95Å; V222-I224 HydrophobicContact CG1-CG1 4.27Å; I224-L226 HydrophobicContact CG2-CD2 4.4Å; I224-L226 PolarHBondContact O-N 2.94Å
225D81.3Confident72.5Confident123 Ų12395.7 Ų95.766%0.65851%0.505SS*.  trans-80.693.7176.5-78.8-23.2000110.3G214G214-D225 PolarHBondContact O-N 3.19Å
226L79.3Confident71.1Confident97 Ų97100.6 Ų100.651%0.50853%0.526SS..  trans-69.7128.6171.4-67.4174.2000110.3I224 V231 L234I224-L226 HydrophobicContact CG2-CD2 4.4Å; I224-L226 PolarHBondContact O-N 2.94Å; L226-V231 HydrophobicContact CB-CG2 4.21Å; L226-L234 HydrophobicContact CD1-CD1 4.42Å
227P75.9Confident69.6Low73 Ų73103.8 Ų103.847%0.47454%0.538SS..  trans-63.9143.9177.826.8-34.3000110.8S229 H230 V231P227-S229 PolarHBondContact O-N 3.26Å; P227-H230 PolarHBondContact O-N 3.26Å; P227-V231 PolarHBondContact O-N 2.92Å
228A65.1Low68.2Low69 Ų69101.5 Ų101.557%0.5755%0.546SS*.Hα-helixtrans-56.5-22.9-170.600000114.9V231 N232A228-V231 PolarHBondContact O-N 3.36Å; A228-N232 PolarHBondContact O-N 3.09Å; A228-N232 PolarHBondContact O-OD1 3.47Å
229S61.7Low67.3Low78 Ų78105.7 Ų105.755%0.54556%0.556SS.*Hα-helixtrans-59.6-41.5171.348.80000113P227 Q233P227-S229 PolarHBondContact O-N 3.26Å; S229-Q233 WeakPolarHBondContact O-CG 3.14Å; S229-Q233 PolarHBondContact O-N 3.1Å; S229-Q233 VanDerWaalsContact O-N 3.14Å
230H59Low66.5Low97 Ų97104.6 Ų104.645%0.44956%0.561SS.*Hα-helixtrans-75.4-34.5175.9-79.5-46.8000112.3P227 N232 Q233 L234P227-H230 PolarHBondContact O-N 3.26Å; H230-N232 VanDerWaalsContact C-N 3.31Å; H230-N232 PolarHBondContact O-N 3.04Å; H230-Q233 PolarHBondContact ND1-OE1 3.19Å; H230-Q233 PolarHBondContact O-N 2.94Å; H230-L234 WeakPolarHBondContact O-CB 3.47Å; H230-L234 VanDerWaalsContact O-CG 3.29Å; H230-L234 WeakPolarHBondContact O-CG 3.48Å; H230-L234 PolarHBondContact O-N 3.01Å
231V58.5Low65.7Low56 Ų56101 Ų10134%0.33955%0.546SS..Hα-helixtrans-63.5-39.2175.6-176.50000111L226 P227 A228 L234 Q235L226-V231 HydrophobicContact CB-CG2 4.21Å; P227-V231 PolarHBondContact O-N 2.92Å; A228-V231 PolarHBondContact O-N 3.36Å; V231-L234 PolarHBondContact O-N 3.44Å; V231-Q235 PolarHBondContact O-N 3.23Å
232N55.4Low65Low93 Ų93102.2 Ų102.250%0.49755%0.549SS..Hα-helixtrans-68.6-42.7174.5-69.91.2000111.9A228 H230 L234 Q235 E236A228-N232 PolarHBondContact O-N 3.09Å; A228-N232 PolarHBondContact O-OD1 3.47Å; H230-N232 VanDerWaalsContact C-N 3.31Å; H230-N232 PolarHBondContact O-N 3.04Å; N232-L234 VanDerWaalsContact C-N 3.29Å; N232-L234 PolarHBondContact O-N 3.26Å; N232-Q235 PolarHBondContact O-N 2.96Å; N232-E236 PolarHBondContact O-N 3Å
233Q53.8Low64Low100 Ų100105.5 Ų105.547%0.46756%0.559SS.*Hα-helixtrans-57.7-41.5172.9-77.1-179.7-46.400112.1S229 H230 Q235 E236 E237S229-Q233 WeakPolarHBondContact O-CG 3.14Å; S229-Q233 PolarHBondContact O-N 3.1Å; S229-Q233 VanDerWaalsContact O-N 3.14Å; H230-Q233 PolarHBondContact ND1-OE1 3.19Å; H230-Q233 PolarHBondContact O-N 2.94Å; Q233-Q235 PolarHBondContact O-N 2.73Å; Q233-E236 PolarHBondContact O-N 2.78Å; Q233-E237 WeakPolarHBondContact O-CB 3.33Å; Q233-E237 PolarHBondContact O-N 3.49Å
234L53.3Low63.4Low111 Ų111104 Ų10458%0.58156%0.56SS**Hα-helixtrans-66.8-16.8176.5-72.4165.6000113.9L226 H230 V231 N232L226-L234 HydrophobicContact CD1-CD1 4.42Å; H230-L234 WeakPolarHBondContact O-CB 3.47Å; H230-L234 VanDerWaalsContact O-CG 3.29Å; H230-L234 WeakPolarHBondContact O-CG 3.48Å; H230-L234 PolarHBondContact O-N 3.01Å; V231-L234 PolarHBondContact O-N 3.44Å; N232-L234 VanDerWaalsContact C-N 3.29Å; N232-L234 PolarHBondContact O-N 3.26Å
235Q56.3Low62.7Low145 Ų145102.8 Ų102.868%0.67856%0.558SS**Hα-helixtrans-95.5-30.9173.3-69.9-175.85.800113V231 N232 Q233V231-Q235 PolarHBondContact O-N 3.23Å; N232-Q235 PolarHBondContact O-N 2.96Å; Q233-Q235 PolarHBondContact O-N 2.73Å
236E54.9Low62.3Low169 Ų169102.9 Ų102.979%0.7955%0.554SS**Hα-helixtrans-81.3-31.2175.3-67.6-174.6153.400112.5N232 Q233 A238N232-E236 PolarHBondContact O-N 3Å; Q233-E236 PolarHBondContact O-N 2.78Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 3.18Å
237E52.2Low62.1Low116 Ų116101.1 Ų101.154%0.54255%0.55SS.*  trans-89.443.6173.8-61.2-155.1128.800113.1Q233 R239Q233-E237 WeakPolarHBondContact O-CB 3.33Å; Q233-E237 PolarHBondContact O-N 3.49Å; E237-R239 PolarHBondContact O-N 3.37Å
238A50.9Low62.2Low82 Ų82102.2 Ų102.268%0.67855%0.551SS**  trans-67.477168.900000111.1E236E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 3.18Å
239R59.6Low62.7Low167 Ų167104.6 Ų104.663%0.6355%0.553SS**  trans-115.8158-179.3-74.4-175.7177.1-174.72.2110.3E237 T241 T242E237-R239 PolarHBondContact O-N 3.37Å; R239-T241 PolarHBondContact O-N 3.38Å; R239-T242 PolarHBondContact O-N 2.99Å; R239-T242 PolarHBondContact O-OG1 2.56Å; R239-T242 VanDerWaalsContact O-OG1 3.07Å
240P60.8Low63.5Low97 Ų97105.8 Ų105.863%0.6355%0.554SS**Hα-helixtrans-59-7.8-171.520.8-34.8000116.4L244P240-L244 WeakPolarHBondContact O-CB 3.48Å; P240-L244 PolarHBondContact O-N 3.45Å
241T59.1Low64.5Low96 Ų96103.8 Ų103.859%0.58955%0.548SS*.Hα-helixtrans-64.5-35169.9430000113R239 V245R239-T241 PolarHBondContact O-N 3.38Å; T241-V245 WeakPolarHBondContact O-CG2 3.38Å; T241-V245 PolarHBondContact O-N 3.18Å; T241-V245 VanDerWaalsContact O-N 3.08Å
242T67.5Low65.3Low63 Ų63110 Ų11039%0.38757%0.573SS.*Hα-helixtrans-73-42.8178.457.10000111.4R239 L244 V245 Q246R239-T242 PolarHBondContact O-N 2.99Å; R239-T242 PolarHBondContact O-OG1 2.56Å; R239-T242 VanDerWaalsContact O-OG1 3.07Å; T242-L244 VanDerWaalsContact C-N 3.33Å; T242-L244 PolarHBondContact O-N 2.94Å; T242-V245 PolarHBondContact O-N 2.95Å; T242-Q246 WeakPolarHBondContact O-CB 3.43Å; T242-Q246 PolarHBondContact O-N 2.81Å
243E67Low66.5Low140 Ų140107.8 Ų107.865%0.65457%0.565SS**Hα-helixtrans-59.9-41.8173.1-62.5-175.7150.400111.5Q246 S247E243-Q246 PolarHBondContact O-N 2.88Å; E243-S247 WeakPolarHBondContact O-CB 3.5Å; E243-S247 PolarHBondContact O-N 3Å; E243-S247 PolarHBondContact O-OG 2.89Å
244L72.9Confident67.8Low105 Ų105106.9 Ų106.955%0.5557%0.567SS.*Hα-helixtrans-61.2-48.8175.1-166.182.5000111.5P240 T242 Q246 S247 L248P240-L244 WeakPolarHBondContact O-CB 3.48Å; P240-L244 PolarHBondContact O-N 3.45Å; T242-L244 VanDerWaalsContact C-N 3.33Å; T242-L244 PolarHBondContact O-N 2.94Å; L244-Q246 VanDerWaalsContact C-N 3.35Å; L244-Q246 PolarHBondContact O-N 3.04Å; L244-S247 PolarHBondContact O-N 2.95Å; L244-S247 PolarHBondContact O-OG 3.08Å; L244-L248 HydrophobicContact CG-CD1 4.31Å; L244-L248 WeakPolarHBondContact O-CG 3.02Å; L244-L248 PolarHBondContact O-N 2.91Å
245V72.8Confident68.9Low82 Ų82107 Ų10750%0.49757%0.567SS.*Hα-helixtrans-61.8-42.2178.3168.10000111.4T241 T242 L248 I249T241-V245 WeakPolarHBondContact O-CG2 3.38Å; T241-V245 PolarHBondContact O-N 3.18Å; T241-V245 VanDerWaalsContact O-N 3.08Å; T242-V245 PolarHBondContact O-N 2.95Å; V245-L248 PolarHBondContact O-N 3.32Å; V245-I249 HydrophobicContact CG1-CD1 3.84Å; V245-I249 VanDerWaalsContact O-CG1 3.32Å; V245-I249 WeakPolarHBondContact O-CG1 3.46Å; V245-I249 PolarHBondContact O-N 3.44Å
246Q73.2Confident69.8Low124 Ų124105.5 Ų105.558%0.57956%0.564SS**Hα-helixtrans-63.9-43.9175.7-170.4165.30.200111.5T242 E243 L244 L248 I249 D250T242-Q246 WeakPolarHBondContact O-CB 3.43Å; T242-Q246 PolarHBondContact O-N 2.81Å; E243-Q246 PolarHBondContact O-N 2.88Å; L244-Q246 VanDerWaalsContact C-N 3.35Å; L244-Q246 PolarHBondContact O-N 3.04Å; Q246-L248 PolarHBondContact O-N 2.57Å; Q246-I249 PolarHBondContact O-N 3.36Å; Q246-D250 PolarHBondContact O-N 2.87Å
247S74.5Confident70.9Confident61 Ų61101.2 Ų101.243%0.42755%0.549SS..Hα-helixtrans-62-28.8175.180.70000113.4E243 L244 T251E243-S247 WeakPolarHBondContact O-CB 3.5Å; E243-S247 PolarHBondContact O-N 3Å; E243-S247 PolarHBondContact O-OG 2.89Å; L244-S247 PolarHBondContact O-N 2.95Å; L244-S247 PolarHBondContact O-OG 3.08Å; S247-T251 WeakPolarHBondContact O-CG2 3.42Å
248L77.6Confident71.9Confident95 Ų95100 Ų10050%0.49754%0.542SS..Hα-helixtrans-74.5-45.3174.4-74.3162.1000111.1L244 V245 Q246 D250 T251L244-L248 HydrophobicContact CG-CD1 4.31Å; L244-L248 WeakPolarHBondContact O-CG 3.02Å; L244-L248 PolarHBondContact O-N 2.91Å; V245-L248 PolarHBondContact O-N 3.32Å; Q246-L248 PolarHBondContact O-N 2.57Å; L248-D250 VanDerWaalsContact C-N 3.34Å; L248-D250 PolarHBondContact O-N 2.64Å; L248-T251 PolarHBondContact O-N 3.24Å; L248-T251 VanDerWaalsContact O-N 3.11Å; L248-T251 PolarHBondContact O-OG1 2.83Å
249I76.8Confident72.9Confident120 Ų120101.9 Ų101.962%0.61554%0.538SS*.Hα-helixtrans-59.1-42.6177.1-69.5165.1000111.6V245 Q246 T251V245-I249 HydrophobicContact CG1-CD1 3.84Å; V245-I249 VanDerWaalsContact O-CG1 3.32Å; V245-I249 WeakPolarHBondContact O-CG1 3.46Å; V245-I249 PolarHBondContact O-N 3.44Å; Q246-I249 PolarHBondContact O-N 3.36Å; I249-T251 PolarHBondContact O-N 3.15Å
250D77.9Confident73.4Confident103 Ų10397 Ų9755%0.55153%0.534SS*.THydrogen-bonded Turntrans-69.7-9.8179.4-70.2-20.6000113.2Q246 L248 H252Q246-D250 PolarHBondContact O-N 2.87Å; L248-D250 VanDerWaalsContact C-N 3.34Å; L248-D250 PolarHBondContact O-N 2.64Å; D250-H252 PolarHBondContact O-N 2.82Å
251T79.8Confident73.8Confident55 Ų5596 Ų9634%0.33753%0.533SS..  trans-93.181.3-176.357.60000114.2S247 L248 I249 S253 K258S247-T251 WeakPolarHBondContact O-CG2 3.42Å; L248-T251 PolarHBondContact O-N 3.24Å; L248-T251 VanDerWaalsContact O-N 3.11Å; L248-T251 PolarHBondContact O-OG1 2.83Å; I249-T251 PolarHBondContact O-N 3.15Å; T251-S253 PolarHBondContact O-N 2.96Å; T251-K258 VanDerWaalsContact CB-NZ 3.3Å
252H75.9Confident74.3Confident186 Ų18695.1 Ų95.186%0.86153%0.532SS*.  trans-62.413.5176.9-53.8-43.4000116.9D250D250-H252 PolarHBondContact O-N 2.82Å
253S80.1Confident74.3Confident47 Ų4796.9 Ų96.933%0.32953%0.534SS..SBendtrans-130.2131.3178.464.40000109.8T251 K258T251-S253 PolarHBondContact O-N 2.96Å; S253-K258 WeakPolarHBondContact OG-CE 3.31Å
254T81.8Confident74.4Confident81 Ų8194.5 Ų94.550%0.49753%0.529SS..  trans-55.6150.7178.761.10000112D256 T257 K258T254-D256 PolarHBondContact O-N 2.92Å; T254-T257 PolarHBondContact N-OG1 3.5Å; T254-T257 PolarHBondContact O-N 3.24Å; T254-T257 PolarHBondContact O-OG1 3.42Å; T254-T257 WeakPolarHBondContact OG1-CB 3.49Å; T254-T257 WeakPolarHBondContact OG1-CG2 3.27Å; T254-T257 PolarHBondContact OG1-N 3.22Å; T254-T257 VanDerWaalsContact OG1-N 3.15Å; T254-T257 PolarHBondContact OG1-OG1 3.35Å; T254-K258 PolarHBondContact O-N 3.2Å; T254-K258 VanDerWaalsContact O-N 3.12Å
255L75Confident74.3Confident113 Ų11392.3 Ų92.359%0.59252%0.522SS*.Hα-helixtrans-58.3-34.5174.5-67.5173.2000111.1K258 M259L255-K258 WeakPolarHBondContact O-CB 3.31Å; L255-K258 PolarHBondContact O-N 2.91Å; L255-M259 HydrophobicContact CB-CE 4.26Å; L255-M259 WeakPolarHBondContact O-CB 3.35Å; L255-M259 WeakPolarHBondContact O-CG 3.45Å; L255-M259 PolarHBondContact O-N 2.82Å
256D76.2Confident74.1Confident113 Ų11394.4 Ų94.460%0.60453%0.53SS*.Hα-helixtrans-67.5-38.5177.6-51.5-43.4000113.3T254 K258 M259 A260T254-D256 PolarHBondContact O-N 2.92Å; D256-K258 VanDerWaalsContact C-N 3.33Å; D256-M259 PolarHBondContact O-N 3.08Å; D256-A260 VanDerWaalsContact O-CB 3.23Å; D256-A260 WeakPolarHBondContact O-CB 3.32Å; D256-A260 PolarHBondContact O-N 2.91Å
257T78.4Confident74.1Confident80 Ų8096 Ų9649%0.49154%0.535SS..Hα-helixtrans-70.5-31.9175.349.60000111.7T254 A261T254-T257 PolarHBondContact N-OG1 3.5Å; T254-T257 PolarHBondContact O-N 3.24Å; T254-T257 PolarHBondContact O-OG1 3.42Å; T254-T257 WeakPolarHBondContact OG1-CB 3.49Å; T254-T257 WeakPolarHBondContact OG1-CG2 3.27Å; T254-T257 PolarHBondContact OG1-N 3.22Å; T254-T257 VanDerWaalsContact OG1-N 3.15Å; T254-T257 PolarHBondContact OG1-OG1 3.35Å; T257-A261 VanDerWaalsContact O-CB 3.32Å; T257-A261 WeakPolarHBondContact O-CB 3.34Å; T257-A261 PolarHBondContact O-N 3.21Å; T257-A261 VanDerWaalsContact O-N 3.11Å
258K72.9Confident73.6Confident89 Ų89100.6 Ų100.639%0.38756%0.561SS.*Hα-helixtrans-67.4-43168.5-80.6168.6163.4169.60113T251 S253 T254 L255 D256 A261 S262T251-K258 VanDerWaalsContact CB-NZ 3.3Å; S253-K258 WeakPolarHBondContact OG-CE 3.31Å; T254-K258 PolarHBondContact O-N 3.2Å; T254-K258 VanDerWaalsContact O-N 3.12Å; L255-K258 WeakPolarHBondContact O-CB 3.31Å; L255-K258 PolarHBondContact O-N 2.91Å; D256-K258 VanDerWaalsContact C-N 3.33Å; K258-A261 PolarHBondContact O-N 2.91Å; K258-S262 WeakPolarHBondContact O-CB 3.38Å; K258-S262 PolarHBondContact O-N 3Å
259M71.3Confident72.9Confident122 Ų122100.1 Ų100.160%0.60158%0.579SS**Hα-helixtrans-68.7-39.9177.2-74.7-172.4-73.400111.8L255 D256 A261 S262L255-M259 HydrophobicContact CB-CE 4.26Å; L255-M259 WeakPolarHBondContact O-CB 3.35Å; L255-M259 WeakPolarHBondContact O-CG 3.45Å; L255-M259 PolarHBondContact O-N 2.82Å; D256-M259 PolarHBondContact O-N 3.08Å; M259-A261 VanDerWaalsContact C-N 3.28Å; M259-A261 PolarHBondContact O-N 3.09Å; M259-S262 WeakPolarHBondContact O-CB 3.46Å; M259-S262 PolarHBondContact O-N 3.47Å
260A69.2Low72.5Confident64 Ų6496.6 Ų96.653%0.52957%0.565SS.*Hα-helixtrans-66.7-27.1174.500000113.3D256D256-A260 VanDerWaalsContact O-CB 3.23Å; D256-A260 WeakPolarHBondContact O-CB 3.32Å; D256-A260 PolarHBondContact O-N 2.91Å
261A69.3Low71.7Confident76 Ų7696 Ų9663%0.62857%0.574SS**Hα-helixtrans-83.8-11.9170.100000113.6T257 K258 M259 K263T257-A261 VanDerWaalsContact O-CB 3.32Å; T257-A261 WeakPolarHBondContact O-CB 3.34Å; T257-A261 PolarHBondContact O-N 3.21Å; T257-A261 VanDerWaalsContact O-N 3.11Å; K258-A261 PolarHBondContact O-N 2.91Å; M259-A261 VanDerWaalsContact C-N 3.28Å; M259-A261 PolarHBondContact O-N 3.09Å; A261-K263 PolarHBondContact O-N 2.84Å
262S69.6Low71Confident79 Ų7996.7 Ų96.755%0.55258%0.578SS**  trans-82.6101.1-178.2-167.10000110.8K258 M259 V264K258-S262 WeakPolarHBondContact O-CB 3.38Å; K258-S262 PolarHBondContact O-N 3Å; M259-S262 WeakPolarHBondContact O-CB 3.46Å; M259-S262 PolarHBondContact O-N 3.47Å; S262-V264 PolarHBondContact O-N 3.33Å
263K68.2Low70.4Confident100 Ų10092.4 Ų92.444%0.43556%0.561SS.*  trans-81.1108.6-177-82.2174.4170.7-70.90111.7A261 T272 D274A261-K263 PolarHBondContact O-N 2.84Å; K263-T272 HydrophobicContact CB-CG2 3.89Å; K263-D274 WeakPolarHBondContact CE-OD1 3.44Å; K263-D274 IonicContact NZ-OD1 3.94Å; K263-D274 PolarHBondContact NZ-OD1 2.99Å; K263-D274 IonicContact NZ-OD2 3.75Å; K263-D274 PolarHBondContact NZ-OD2 2.99Å
264V70.1Confident69.3Low89 Ų8993.2 Ų93.254%0.53956%0.562SS.*BIsolated β-bridgetrans-81.6137178.6-176.20000111.1S262 L273S262-V264 PolarHBondContact O-N 3.33Å; V264-L273 PolarHBondContact O-N 3.01Å; V264-L273 VanDerWaalsContact O-N 3.12Å
265S68.8Low68.3Low60 Ų6093 Ų9342%0.4256%0.562SS.*  trans-118.4125.7169.7600000109.6
266L69Low67.5Low126 Ų12692.3 Ų92.366%0.6656%0.562SS**SBendtrans-75.4-22.5-177.6-67170.8000113.9L273L266-L273 HydrophobicContact CD1-CD1 4.23Å
267F73Confident66.4Low158 Ų15893.3 Ų93.369%0.69356%0.563SS**SBendtrans-137.7153.1176.2-60.3-79.1000111.2G269 S270F267-G269 PolarHBondContact O-N 3.34Å; F267-S270 PolarHBondContact N-OG 2.72Å; F267-S270 PolarHBondContact O-N 2.93Å; F267-S270 PolarHBondContact O-OG 3.35Å; F267-S270 VanDerWaalsContact O-OG 3.13Å
268T65.5Low65.3Low157 Ų15795.8 Ų95.896%0.96357%0.572SS**THydrogen-bonded Turntrans-64.497179.634.80000111.5
269G62.5Low64.1Low84 Ų8495 Ų9587%0.86658%0.578SS**THydrogen-bonded Turntrans106.53.9-176.700000115.2F267F267-G269 PolarHBondContact O-N 3.34Å
270S67.9Low62.7Low47 Ų4796.8 Ų96.833%0.32959%0.585SS.*PPolyproline II helixtrans-75.7157.6172.273.30000112.1F267F267-S270 PolarHBondContact N-OG 2.72Å; F267-S270 PolarHBondContact O-N 2.93Å; F267-S270 PolarHBondContact O-OG 3.35Å; F267-S270 VanDerWaalsContact O-OG 3.13Å
271A61.4Low61.4Low90 Ų90101.5 Ų101.574%0.74460%0.596SS**PPolyproline II helixtrans-58.6151.5168.500000111.3
272T65.8Low59.9Low69 Ų69106.1 Ų106.142%0.42360%0.604SS.*PPolyproline II helixtrans-90.3144.5-179.840.80000111.9K263K263-T272 HydrophobicContact CB-CG2 3.89Å
273L61.9Low58.1Low97 Ų97111 Ų11151%0.50862%0.618SS.*BIsolated β-bridgetrans-91.5132.9179.5-63.7170.8000110.8V264 L266V264-L273 PolarHBondContact O-N 3.01Å; V264-L273 VanDerWaalsContact O-N 3.12Å; L266-L273 HydrophobicContact CD1-CD1 4.23Å
274D57.3Low56.5Low63 Ų63112.1 Ų112.134%0.33763%0.633SS.*PPolyproline II helixtrans-98.6141166.8-81.6-40.4000110.6K263 T276 H277K263-D274 WeakPolarHBondContact CE-OD1 3.44Å; K263-D274 IonicContact NZ-OD1 3.94Å; K263-D274 PolarHBondContact NZ-OD1 2.99Å; K263-D274 IonicContact NZ-OD2 3.75Å; K263-D274 PolarHBondContact NZ-OD2 2.99Å; D274-T276 PolarHBondContact O-N 3.17Å; D274-H277 PolarHBondContact O-N 3.46Å
275P60.3Low54.8Low78 Ų78119.4 Ų119.451%0.50665%0.651SS.*THydrogen-bonded Turntrans-56.8-26.7-175.5-27.735.3000115H277 I278P275-H277 PolarHBondContact O-N 3.34Å; P275-I278 PolarHBondContact O-N 2.88Å; P275-I278 VanDerWaalsContact O-N 3.15Å
276T58Low53Low97 Ų97125.7 Ų125.760%0.59567%0.674SS**Hα-helixtrans-65-16.9178.347.90000114.3D274 I278D274-T276 PolarHBondContact O-N 3.17Å; T276-I278 VanDerWaalsContact C-N 3.34Å
277H53.7Low51.1Low135 Ų135128.8 Ų128.863%0.62568%0.682SS**Hα-helixtrans-76.7-18.3173.7-86.2-92.6000113.8D274 P275D274-H277 PolarHBondContact O-N 3.46Å; P275-H277 PolarHBondContact O-N 3.34Å
278I56.3Low49Very low131 Ų131129.9 Ų129.967%0.67269%0.689SS**Hα-helixtrans-84.3-38.2-176.2-59.3177.2000111.1P275 T276 Q280P275-I278 PolarHBondContact O-N 2.88Å; P275-I278 VanDerWaalsContact O-N 3.15Å; T276-I278 VanDerWaalsContact C-N 3.34Å; I278-Q280 PolarHBondContact O-N 3.25Å
279S47.2Very low47.3Very low74 Ų74131.1 Ų131.152%0.51769%0.686SS.*Hα-helixtrans-74.3-21.4-173.354.70000114.9H281S279-H281 PolarHBondContact O-N 2.93Å
280Q42.1Very low45.8Very low159 Ų159135.3 Ų135.374%0.74369%0.688SS**THydrogen-bonded Turntrans-69.1-14.1-179.4-70.3-168.5-13.600114.2I278I278-Q280 PolarHBondContact O-N 3.25Å
281H41.4Very low44Very low163 Ų163141.7 Ų141.776%0.75571%0.713SS**THydrogen-bonded Turntrans-85.8-6.2-177.5-101.5-72.4000115.7S279S279-H281 PolarHBondContact O-N 2.93Å
282Q38.3Very low42.8Very low172 Ų172145.4 Ų145.480%0.80471%0.714SS**SBendtrans-92-7.8-173.8-79.4-176.2-36.100115.9
283H32Very low41.6Very low182 Ų182150.6 Ų150.684%0.84373%0.734SS**SBendtrans-101.910.7-170.6-97-44.6000116.8
284T33.2Very low40.9Very low123 Ų123149.6 Ų149.676%0.75574%0.735SS**SBendtrans-130.546.1-174.352.10000114.3
285R35.2Very low40.7Very low242 Ų242151.8 Ų151.891%0.91375%0.751SS**  trans-149.541.3-179.9-133.5173.7-167.31782.9118.8
286E31.3Very low40.2Very low192 Ų192154.2 Ų154.290%0.89775%0.75SS**  trans-125.181.3165.4-72-164149.900112.5
287K28.9Very low39.8Very low191 Ų191153 Ų15383%0.8374%0.74SS**  trans-169.7159.9150-117.2173.1-176.1-179.80114.3
288E28.7Very low39.9Very low181 Ų181151.7 Ų151.785%0.84674%0.743SS**  trans77.9161.9166.6-72.4161.5-153.100117.6
289M29Very low39.9Very low184 Ų184151.2 Ų151.291%0.90675%0.747SS**  trans-121.1170.3-139-87.1167.447.700114.8
290L33Very low40.6Very low171 Ų171152.2 Ų152.290%0.89575%0.75SS**  trans-65.5144.9171.3-65153.3000112.4
291E29.4Very low41.2Very low182 Ų182150.1 Ų150.185%0.8574%0.744SS**  trans-131146.8165.2-70-164.3145.300111.4
292E36.3Very low41.7Very low167 Ų167151.8 Ų151.878%0.7874%0.743SS**  trans-98152.3173-59.3-176.2160.200110.7
293Q41.2Very low42.3Very low178 Ų178149.7 Ų149.783%0.83273%0.733SS**  trans-130.2143.8169.8-72.1-166.7-2.400113.8
294S47.1Very low43.1Very low76 Ų76151 Ų15153%0.53173%0.731SS.*  trans-113.5137.2174.252.40000110.5
295V51.5Low43.9Very low110 Ų110155.3 Ų155.367%0.66773%0.733SS**EExtended strand (participates in β ladder)trans-114.3136.8-177.8-177.30000110.4
296W50.4Low44.2Very low128 Ų128152 Ų15249%0.48573%0.725SS.*EExtended strand (participates in β ladder)trans-92.4129.9176.4179.7-83.8000110.9P298 N301 E303W296-P298 WeakPolarHBondContact O-CD 3.35Å; W296-N301 HydrophobicContact CZ2-CB 4.33Å; W296-E303 HydrophobicContact CE3-CB 4.1Å; W296-E303 HydrophobicContact CE3-CG 4.07Å; W296-E303 HydrophobicContact CZ3-CB 4.23Å
297D50Low44.6Very low72 Ų72148.8 Ų148.839%0.38572%0.719SS.*  trans-97.4112.4178.7-170.4-36.3000111.3T299 N301D297-T299 PolarHBondContact O-N 3.04Å; D297-T299 VanDerWaalsContact O-N 3.11Å; D297-T299 PolarHBondContact OD1-N 3.01Å; D297-T299 PolarHBondContact OD1-OG1 2.97Å; D297-N301 PolarHBondContact O-N 2.94Å
298P56.2Low44.7Very low108 Ų108145.5 Ų145.570%0.70171%0.709SS**THydrogen-bonded Turntrans-65.4-12.9-176.1-21.934.3000115.3W296W296-P298 WeakPolarHBondContact O-CD 3.35Å
299T55.3Low44.6Very low121 Ų121144.9 Ų144.974%0.74270%0.704SS**THydrogen-bonded Turntrans-94-18.9-173.565.10000114D297D297-T299 PolarHBondContact O-N 3.04Å; D297-T299 VanDerWaalsContact O-N 3.11Å; D297-T299 PolarHBondContact OD1-N 3.01Å; D297-T299 PolarHBondContact OD1-OG1 2.97Å
300T62Low44.6Very low95 Ų95141.3 Ų141.358%0.58369%0.693SS**THydrogen-bonded Turntrans-128.1-2.8-17559.20000115.1R302T300-R302 VanDerWaalsContact C-N 3.27Å; T300-R302 PolarHBondContact O-N 3.3Å
301N53.9Low44.2Very low115 Ų115140.2 Ų140.262%0.61568%0.683SS**  trans5140.3174.6-82.7-18000114.5W296 D297W296-N301 HydrophobicContact CZ2-CB 4.33Å; D297-N301 PolarHBondContact O-N 2.94Å
302R52Low44Very low197 Ų197137.5 Ų137.574%0.74367%0.67SS**  trans-139.6136.4167-74-169.8171.6-178.3-3111.2T300T300-R302 VanDerWaalsContact C-N 3.27Å; T300-R302 PolarHBondContact O-N 3.3Å
303E51Low43.5Very low128 Ų128136.8 Ų136.860%0.59867%0.667SS**EExtended strand (participates in β ladder)trans-74.5141.2174.5-142.7161.7-115.500110.7W296W296-E303 HydrophobicContact CE3-CB 4.1Å; W296-E303 HydrophobicContact CE3-CG 4.07Å; W296-E303 HydrophobicContact CZ3-CB 4.23Å
304R49.5Very low42.7Very low210 Ų210135.7 Ų135.779%0.79266%0.662SS**EExtended strand (participates in β ladder)trans-140.6134.7174.6-78.1-174.7164.4-178.2-5.6111.1
305R50.9Low41.6Very low213 Ų213139.9 Ų139.980%0.80467%0.673SS**  trans-78.3140.4164.3-69.1179.9175.1171.9-5.5109.1
306K41.3Very low40.6Very low172 Ų172142.4 Ų142.475%0.74868%0.683SS**  trans-135.299.8179.7-159.2-164.2-162.9-1490109.4I308K306-I308 HydrophobicContact CD-CD1 4.16Å; K306-I308 VanDerWaalsContact CE-CD1 3.44Å; K306-I308 HydrophobicContact CG-CD1 4.1Å; K306-I308 HydrophobicContact CG-CG1 4.19Å
307V38.5Very low39.3Very low126 Ų126142.6 Ų142.676%0.76470%0.698SS**  trans-99.5119.8166.8179.70000106.6F309V307-F309 HydrophobicContact CG1-CE2 4.43Å
308I32.5Very low38.1Very low122 Ų122144 Ų14463%0.62671%0.713SS**  trans-138.2137.5176.6-72.4-172.1000108.8K306K306-I308 HydrophobicContact CD-CD1 4.16Å; K306-I308 VanDerWaalsContact CE-CD1 3.44Å; K306-I308 HydrophobicContact CG-CD1 4.1Å; K306-I308 HydrophobicContact CG-CG1 4.19Å
309F26.5Very low36.7Very low167 Ų167146.9 Ų146.973%0.73272%0.717SS**  trans-102.4154.5170.9-80.3-100000110V307V307-F309 HydrophobicContact CG1-CE2 4.43Å
310T27.5Very low35.4Very low110 Ų110149.7 Ų149.768%0.67572%0.722SS**  trans60143.2145.249.20000121.3
311Q25.5Very low33.7Very low147 Ų147152.5 Ų152.569%0.68773%0.733SS**  trans72.4144.9150.5-71.5172.8-64.300116.6
312E25.6Very low32.4Very low126 Ų126153.9 Ų153.959%0.58974%0.741SS**  cis-160.6-177.2-6.5-134142.2-16100110.3
313E25.3Very low31.4Very low152 Ų152149.4 Ų149.471%0.7174%0.74SS**  trans67.2153.1146.5-75.1149.4-163.100118.9
314E25.2Very low30.4Very low155 Ų155151.3 Ų151.372%0.72475%0.748SS**  cis-157.7-175.6-2.7-136.7163.2-171.200113.1
315E23.8Very low29.7Very low164 Ų164145 Ų14577%0.76675%0.749SS**  trans59.3109.4156-69.7179.914900120.8
316D28.8Very low28.5Very low163 Ų163138.8 Ų138.887%0.87274%0.738SS**  -165.589111.4-116.9-18.7000113.5
317V24.5Very low27.9Very low131 Ų131138.5 Ų138.579%0.79475%0.745SS**  trans15.3122.4145.2-168.60000121.6
318S25Very low27.2Very low101 Ų101140.6 Ų140.671%0.70675%0.746SS**  trans-168.1121.5131.263.30000113.7
319E26.5Very low27Very low170 Ų170139.5 Ų139.579%0.79476%0.756SS**  trans50.2103.6148.1-66.5159-150.800118.1
320E28Very low27.1Very low179 Ų179138.4 Ų138.484%0.83676%0.757SS**  68.310296.6-71.2174-160.300111.8
321D25.8Very low27Very low154 Ų154140.5 Ų140.582%0.82476%0.764SS**  51141.851.7-78.7-30000112.8
322D26.7Very low27.2Very low145 Ų145142.5 Ų142.578%0.77577%0.774SS**  cis-142.1175.535.8-138.9-42.1000114.7E324D322-E324 PolarHBondContact O-N 2.98Å
323S31.5Very low27.4Very low102 Ų102143.5 Ų143.571%0.71378%0.783SS**  trans-73.8112.3172.6159.80000111.3
324E29.9Very low27.9Very low168 Ų168143.4 Ų143.479%0.78579%0.787SS**  trans-125.6147.2165.5-94.3-57.2161.800115.9D322 S326D322-E324 PolarHBondContact O-N 2.98Å; E324-S326 PolarHBondContact OE2-N 3.26Å; E324-S326 VanDerWaalsContact OE2-N 3.11Å
325G35.6Very low28.6Very low77 Ų77141.4 Ų141.479%0.79479%0.786SS**  trans-154.628.3-174.500000112.7
326S25.7Very low29Very low83 Ų83142.4 Ų142.458%0.5879%0.79SS**  trans-144.7123.4153-154.80000113.4E324 Q328E324-S326 PolarHBondContact OE2-N 3.26Å; E324-S326 VanDerWaalsContact OE2-N 3.11Å; S326-Q328 PolarHBondContact O-N 2.86Å
327D26.7Very low29.1Very low166 Ų166139.6 Ų139.689%0.88878%0.782SS**  trans-61.8125144.2-72.8-59.6000107.6
328Q24.2Very low29.2Very low170 Ų170142 Ų14279%0.79479%0.785SS**  trans-151.894.5152.3-167.1151.32200109.4S326S326-Q328 PolarHBondContact O-N 2.86Å
329A29.9Very low29.5Very low100 Ų100144.8 Ų144.883%0.82679%0.787SS**  trans-86.6123.6166.400000108.9
330D27.1Very low29.5Very low143 Ų143141.9 Ų141.977%0.76578%0.781SS**  trans-75.1141.6162.4-75-34.8000109.8
331D26Very low29.4Very low154 Ų154137.5 Ų137.582%0.82478%0.775SS**  trans23.7111.8159.3-61.6-26000120.5
332E29.3Very low29.3Very low189 Ų189135.2 Ų135.288%0.88378%0.778SS**  -150.5114.4114.7-117176.3-152.800111.4
333D30Very low29.3Very low148 Ų148132.3 Ų132.379%0.79178%0.781SS**  trans55.999.8156.8-63.1-9.3000122.9
334D35Very low29Very low149 Ų149131.5 Ų131.580%0.79779%0.79SS**  126.9136.1106.6-128-12000120.5
335V39.8Very low28.7Very low114 Ų114128.1 Ų128.169%0.69179%0.79SS**  trans67.3101.3166-63.20000125.2
336E33.8Very low29.4Very low185 Ų185130.2 Ų130.286%0.86479%0.79SS**  trans73144.8145-68.5-175.9-128.900121.6
337C29.4Very low30.4Very low103 Ų103131.4 Ų131.470%0.69680%0.796SS**  cis-171.8161.3-27-130.70000113
338E28.3Very low30.6Very low183 Ų183132.4 Ų132.486%0.85580%0.795SS**  trans58.3146.2157.7-72.7-180-161.400121.5
339E29.4Very low30.8Very low159 Ų159134.6 Ų134.674%0.74380%0.802SS**  cis-161.9-176-21.3-142-144.6-16500113
340T27.7Very low30.7Very low109 Ų109138.8 Ų138.867%0.66980%0.801SS**  trans-5.9162.8168.156.50000125.8
341A26.1Very low30.6Very low87 Ų87140.1 Ų140.172%0.71980%0.803SS**  cis-174.1154.2-25.600000115.6
342A24.2Very low30.6Very low106 Ų106140.5 Ų140.588%0.87680%0.797SS**  trans64.3122.5143.100000125.6
343G25.2Very low30.4Very low83 Ų83138 Ų13886%0.85679%0.79SS**  124.5115103.500000122.8
344G25.2Very low30Very low86 Ų86140.3 Ų140.389%0.88779%0.792SS**  trans114.1140.2134.900000121.4
345A23.5Very low29.5Very low97 Ų97136.7 Ų136.780%0.80278%0.783SS**  trans-160.5-170.6169.700000109.8
346P51.1Low28.8Very low120 Ų120139.8 Ų139.878%0.77979%0.79SS**  -101.5-133.3-68.638.3-23.6000109.4
347P47Very low28.3Very low108 Ų108137.6 Ų137.670%0.70179%0.789SS**  cis-133.2173.4-26.938.1-19.4000117.1
348Q31Very low28.1Very low188 Ų188135.9 Ų135.988%0.87979%0.789SS**  trans22.5133.8150.6-61.2-176.53.400123.4
349K27.1Very low27.9Very low216 Ų216139 Ų13994%0.93979%0.793SS**  trans-161.3177.5130.9-118.8167.3-173.6171.90115.4
350K28Very low27.6Very low187 Ų187137.1 Ų137.181%0.81380%0.797SS**  trans-111.4174.6-167.6-55.8175.5174.6177.60113.2
351Q25.2Very low27.5Very low171 Ų171135.5 Ų135.580%0.79980%0.802SS**  trans74.7153.4150.7-81178.50.500118.2
352K25.5Very low27.4Very low162 Ų162137.3 Ų137.370%0.70481%0.81SS**  cis-167.4140.9-22-149.7-173.6179.8-171.40111
353L25.5Very low27.4Very low138 Ų138138.3 Ų138.372%0.72381%0.809SS**  trans64.8153.3145.2-93.9173.9000124.4
354K22.9Very low27.6Very low195 Ų195138.5 Ų138.585%0.84880%0.803SS**  trans75.5151.1161.3-70.9-168.7176.2-166.40120.1
355A23.5Very low27.7Very low73 Ų73143.3 Ų143.360%0.60380%0.802SS**  cis-178.8138.7-32.800000110.8
356E25.2Very low28.6Very low180 Ų180146.5 Ų146.584%0.84181%0.805SS**  trans54.5165.9151.9-59.1178.2128.600118.1
357T23.5Very low27.8Very low138 Ų138146.4 Ų146.485%0.84780%0.804SS**  cis-151.3159.610-20.60000106.9
358G24.4Very low27Very low67 Ų67145.8 Ų145.869%0.69181%0.808SS**  cis175.6-163.4-3.200000111.8
359R25.3Very low26.8Very low249 Ų249146.8 Ų146.894%0.9481%0.81SS**  trans22.2147.6154.6-79.5179.3163.6162.3-7121
360S22.6Very low26.9Very low119 Ų119140.7 Ų140.783%0.83280%0.8SS**  cis-165.6175-0.238.70000107.6
361G25.3Very low27Very low75 Ų75140.1 Ų140.177%0.77381%0.806SS**  cis-170.4-14511.100000111.7
362S24.8Very low27.2Very low125 Ų125136.6 Ų136.687%0.87480%0.8SS**  trans-86.9148-173.2510000114.9
363C23.9Very low27.5Very low127 Ų127137.8 Ų137.886%0.85881%0.808SS**  trans-151.2153.6138.4-159.80000109.6
364A29.6Very low27.7Very low88 Ų88139 Ų13973%0.72782%0.815SS**  trans-120.9134.5168.600000108
365E26Very low28.2Very low187 Ų187138.7 Ų138.787%0.87482%0.817SS**  trans-160.1155157.9-128.3174.8-171.100113.4
366L42.9Very low28.6Very low163 Ų163143 Ų14385%0.85383%0.829SS**  trans-79.8150162.4-66.5162.9000108.7
367P34.4Very low28.8Very low118 Ų118143.9 Ų143.977%0.76683%0.833SS**  trans-125.7149.2142.31.619.7000113.3
368A29.8Very low29Very low96 Ų96146 Ų14679%0.79384%0.836SS**  trans-66.8160.816800000111.8
369F27.5Very low29Very low209 Ų209148.2 Ų148.292%0.91784%0.841SS**  trans-103.8112.9160.2-96-93.3000108.9
370A28.3Very low29.2Very low88 Ų88145.1 Ų145.173%0.72784%0.837SS**  trans-73.2149.2166.800000110.4
371D31.2Very low29.4Very low175 Ų175149 Ų14994%0.93684%0.842SS**  trans-67141.9161.3-87.8-51.7000109.9
372S28.8Very low29.5Very low97 Ų97154.5 Ų154.568%0.67885%0.848SS**  trans-134.9118.2178.7650000111.7
373E31.5Very low29.7Very low186 Ų186158 Ų15887%0.86985%0.85SS**  trans7095.2148.4-57.7174.6159.500117.7
374D30.9Very low29.8Very low164 Ų164161.1 Ų161.188%0.87785%0.852SS**  trans-90.3120.7151.2-118-21.2000108.2
375E32.4Very low29.8Very low189 Ų189161.9 Ų161.988%0.88386%0.858SS**  trans-75.8123.5175.2-68.4-179.7119.400110.9
376L32.4Very low29.8Very low164 Ų164156.9 Ų156.986%0.85986%0.857SS**  trans-112102172.1-72.1177.8000111.6
377E29.4Very low29.1Very low198 Ų198155.7 Ų155.793%0.92586%0.856SS**  trans-67.8141.2164.7-71-170133.800111.1
378M26.6Very low29.5Very low182 Ų182156.2 Ų156.290%0.89786%0.86SS**  trans-82.2150-172.3-61.7164.16000113.5
379S25.9Very low29.4Very low114 Ų114154.8 Ų154.880%0.79785%0.854SS**  trans-151.894.6149.967.50000112.3
380E28.2Very low29.2Very low183 Ų183152.6 Ų152.686%0.85585%0.852SS**  trans31.2116.3139.3-62.6164.6-157.400119.9
381E27.4Very low29Very low201 Ų201153.3 Ų153.394%0.93985%0.852SS**  -161.6157.2118-106.6171.8-159.700109.6
382E27.7Very low28.8Very low191 Ų191148.4 Ų148.489%0.89384%0.842SS**  trans-102.9152.4-159.5-55174.3135.300114.8
383E28.2Very low28.5Very low198 Ų198152.2 Ų152.293%0.92585%0.849SS**  -173.5162.5117.5-103.2-178.4-16800112.2
384E27.3Very low28Very low193 Ų193147.6 Ų147.690%0.90284%0.838SS**  trans-88.3154-164.3-54.2179.9109.100115.8
385A28.6Very low27.7Very low104 Ų104144.5 Ų144.586%0.8683%0.829SS**  162.4136101.300000115.2
386G27.1Very low27.2Very low81 Ų81143.2 Ų143.284%0.83582%0.823SS**  trans107.467.6142.900000121.2
387T27.4Very low26.7Very low138 Ų138143.5 Ų143.585%0.84782%0.82SS**  trans-78.1174.6144.524.30000110.5
388P42.9Very low26.4Very low129 Ų129139.6 Ų139.684%0.83881%0.805SS**  cis-122.2-178.28.339.7-23.1000113.8
389G28.2Very low26.2Very low66 Ų66137.8 Ų137.868%0.6880%0.795SS**  cis156.7-154.3-3.600000111.5
390D23.6Very low26.1Very low164 Ų164141 Ų14188%0.87780%0.797SS**  trans73.2164.3171-12414.7000118.4
391S24Very low25.9Very low102 Ų102135.9 Ų135.971%0.71378%0.782SS**  -161.9177.7-83.965.40000111.1
392G26Very low25.8Very low72 Ų72134.2 Ų134.274%0.74277%0.774SS**  trans85.5121.4176.800000114
393H22.8Very low25.6Very low177 Ų177130.9 Ų130.982%0.81976%0.762SS**  cis90.5131.716.9-151.7-63.7000116.5
394S21.1Very low25.3Very low90 Ų90129.1 Ų129.163%0.62975%0.754SS**  trans66.1154.4179.8-64.90000115.1
395S24.5Very low25.1Very low99 Ų99127.1 Ų127.169%0.69275%0.748SS**  cis-147131.93.628.30000107.2
396E22.8Very low25Very low161 Ų161128.4 Ų128.475%0.75275%0.746SS**  77.2135.679.8-75.5169.5142.200115.4
397E21.7Very low24.8Very low171 Ų171131.7 Ų131.780%0.79974%0.744SS**  trans81.7123.8156.7-70.3174-169.800122.6
398N21.9Very low24.7Very low115 Ų115131.9 Ų131.962%0.61574%0.74SS**  trans76.9115.5140.1-72.746.3000119.7
399E23.3Very low23.9Very low145 Ų145132.7 Ų132.768%0.67874%0.738SS**  80.9117.773.6-77.5173.1-166.800109.8
400E24.3Very low23.6Very low180 Ų180137.3 Ų137.384%0.84175%0.746SS**  65.5143.696-61.2-176.1-171.500111.7
401S24.2Very low23.8Very low77 Ų77137.2 Ų137.254%0.53875%0.746SS.*  cis-162.1-178.835.252.20000111.6
402E23.8Very low24Very low166 Ų166135.7 Ų135.778%0.77675%0.746SS**  trans66.4156.1137.2-75.5152.4-173.700119.5
403D23.3Very low24Very low120 Ų120135.5 Ų135.564%0.64275%0.745SS**  cis-157.9-176.7-6-137.4-29.7000113.3
404E23.4Very low24.2Very low162 Ų162135.6 Ų135.676%0.75775%0.745SS**  trans66.1130.5150.3-72.9176.516800118.3
405L23Very low24.5Very low150 Ų150139 Ų13979%0.78575%0.751SS**  cis100158.736.8-76.7-179.3000114
406T25.6Very low24.8Very low131 Ų131140.7 Ų140.780%0.80475%0.752SS**  trans72.7131.8-173.464.70000115.2
407D22.3Very low25Very low151 Ų151136 Ų13681%0.80775%0.747SS**  cis101.7157.833-95.9-34.7000114.2
408D26.2Very low25.2Very low141 Ų141137 Ų13775%0.75475%0.749SS**  trans79.8130.3173.9-59.5-27.7000120
409D26.2Very low25.3Very low147 Ų147139.4 Ų139.479%0.78676%0.756SS**  trans41129.3150.4-53.8-19.1000121.5
410D22Very low25.3Very low162 Ų162139.8 Ų139.887%0.86676%0.758SS**  cis83.896.940.1-163.246.2000115.7
411D27.3Very low25.2Very low163 Ų163135.1 Ų135.187%0.87275%0.745SS**  trans154.5123156-167.329.6000105.2
412G28.1Very low25.2Very low69 Ų69138.3 Ų138.371%0.71175%0.751SS**  cis131.5145.628.400000106.8
413G26.6Very low25.2Very low69 Ų69137.8 Ų137.871%0.71175%0.746SS**  cis177.9154.9-9.200000111.3
414E26.8Very low25.3Very low178 Ų178139.1 Ų139.183%0.83275%0.749SS**  trans67.4161.7160.1-52.1-152.813300117.1
415E28.4Very low25.1Very low161 Ų161136.5 Ų136.575%0.75275%0.748SS**  cis-127133.917.1-79.9-169.9113.900116.4
416L30.2Very low25.2Very low135 Ų135138.1 Ų138.171%0.70775%0.752SS**  55.6133.6130-57.7170.8000122.5
417G26.6Very low25Very low63 Ų63141 Ų14165%0.64976%0.756SS**  cis164.4-173.2-4.600000117.3
418K25.7Very low25.2Very low193 Ų193142 Ų14284%0.83976%0.756SS**  trans78.1101.6-170.8-58.6178179.7174.40113.1
419Q23.7Very low25.2Very low165 Ų165142.5 Ų142.577%0.77176%0.755SS**  cis62.4143.245.6-48.4176.8-32.700113.2
420H23.8Very low25.5Very low153 Ų153144 Ų14471%0.70876%0.758SS**  cis-164.2166.2-5.8-122.5-127000105.3E422H420-E422 IonicContact CE1-OE2 3.62Å; H420-E422 IonicContact ND1-OE2 3.21Å; H420-E422 PolarHBondContact ND1-OE2 3.47Å
421S21.7Very low25.8Very low82 Ų82145.6 Ų145.657%0.57376%0.76SS**  cis-172.7-148.8-11.5470000107.4
422E24.3Very low26.3Very low143 Ų143147 Ų14767%0.66876%0.761SS**  cis-159.9173.110.3-154.557.3-86.500111.9H420H420-E422 IonicContact CE1-OE2 3.62Å; H420-E422 IonicContact ND1-OE2 3.21Å; H420-E422 PolarHBondContact ND1-OE2 3.47Å
423K24.4Very low27.2Very low155 Ų155147.4 Ų147.467%0.67477%0.765SS**  trans-72.2175.1167.9-71.4175.8159.4-1550113.7
424E24.2Very low28.2Very low149 Ų149148.8 Ų148.870%0.69677%0.77SS**  cis-164.9179-16.3-106.7164170.800108.6
425S20.7Very low29.1Very low106 Ų106145.6 Ų145.674%0.74176%0.758SS**  trans70.7120.6157.359.40000123.3
426E23.8Very low30.3Very low184 Ų184146.6 Ų146.686%0.8676%0.76SS**  trans76.5151.8131-67.5-171.3154.700125.4
427E21.9Very low31.6Very low192 Ų192148.3 Ų148.390%0.89776%0.757SS**  trans69.9165168.2-69.9-166.8166.800121.8
428E27.5Very low33Very low172 Ų172151.3 Ų151.380%0.80475%0.752SS**  trans-108.1170.4-153-58.7-172.214100114.8
429M25.7Very low34.1Very low151 Ų151148.8 Ų148.874%0.74474%0.744SS**  trans90115.2146.3-144.2163.2-60.700119
430E32.7Very low35.9Very low178 Ų178142.1 Ų142.183%0.83272%0.719SS**  trans37.1113.3149-57.9-171.1159.400121
431E27.7Very low37.9Very low197 Ų197139.8 Ų139.892%0.92171%0.711SS**  -153.1168.5112.1-121.5-178.9-16700112.5
432Q37Very low39.8Very low192 Ų192144.1 Ų144.190%0.89772%0.723SS**  trans-98.4115.3-155.5-63.2-177.63.700115.8
433G47.8Very low41.7Very low77 Ų77143.9 Ų143.979%0.79472%0.722SS**  86.1103.5129.700000120.7
434A47.6Very low44Very low98 Ų98141.5 Ų141.581%0.8171%0.711SS**  trans-169.260.3145.700000114.8
435L45.9Very low46.1Very low112 Ų112137.1 Ų137.159%0.58670%0.7SS**  trans-139.813.5-176.6-109165.6000118.7W437 K438L435-W437 PolarHBondContact O-N 2.9Å; L435-K438 HydrophobicContact CD2-CD 3.94Å; L435-K438 HydrophobicContact CD2-CG 4.11Å; L435-K438 PolarHBondContact O-N 3.43Å
436K54.1Low48.2Very low182 Ų182134.4 Ų134.479%0.79169%0.685SS**THydrogen-bonded Turntrans-60.9-0.4-177-68.6-169.5173.6-173.50117.1
437W57Low50.2Low170 Ų170131.7 Ų131.764%0.64467%0.672SS**THydrogen-bonded Turntrans-88.3-23.4-177.974.9-92.8000114L435L435-W437 PolarHBondContact O-N 2.9Å
438K55.2Low52.5Low126 Ų126125.1 Ų125.155%0.54865%0.651SS.*SBendtrans-82.4-25.6176.6-67.8-170.1178-177.30113.1L435 G440 L441L435-K438 HydrophobicContact CD2-CD 3.94Å; L435-K438 HydrophobicContact CD2-CG 4.11Å; L435-K438 PolarHBondContact O-N 3.43Å; K438-G440 PolarHBondContact O-N 3.49Å; K438-L441 WeakPolarHBondContact O-CB 3.35Å; K438-L441 PolarHBondContact O-N 3.46Å
439E50.3Low54.2Low140 Ų140122.9 Ų122.965%0.65464%0.638SS**THydrogen-bonded Turntrans-60.7133.6172.5-74.4-176.4112.900111.2L441 K444E439-L441 PolarHBondContact O-N 3.03Å; E439-K444 PolarHBondContact O-NZ 2.82Å
440G60.7Low55.9Low25 Ų25120.2 Ų120.226%0.25863%0.627SS.*THydrogen-bonded Turntrans65.617.7-177.300000114.5K438 Q442 Q443 K444K438-G440 PolarHBondContact O-N 3.49Å; G440-Q442 VanDerWaalsContact C-N 3.29Å; G440-Q442 PolarHBondContact O-N 3.13Å; G440-Q443 PolarHBondContact O-N 3.18Å; G440-K444 WeakPolarHBondContact O-CB 3.48Å; G440-K444 WeakPolarHBondContact O-CD 3.37Å; G440-K444 VanDerWaalsContact O-CG 3.26Å; G440-K444 WeakPolarHBondContact O-CG 3.32Å; G440-K444 PolarHBondContact O-N 2.77Å
441L65.9Low57.2Low104 Ų104120.6 Ų120.655%0.54562%0.62SS.*Hα-helixtrans-58.8-41.6176.6-173.171.1000111.7K438 E439 K444 A445K438-L441 WeakPolarHBondContact O-CB 3.35Å; K438-L441 PolarHBondContact O-N 3.46Å; E439-L441 PolarHBondContact O-N 3.03Å; L441-K444 PolarHBondContact O-N 3.29Å; L441-A445 WeakPolarHBondContact O-CB 3.5Å; L441-A445 PolarHBondContact O-N 3.45Å
442Q60.5Low58.5Low174 Ų174117.9 Ų117.981%0.81361%0.608SS**Hα-helixtrans-69.6-35.2177.4-165.6174.514.300112.4G440 A445 A446G440-Q442 VanDerWaalsContact C-N 3.29Å; G440-Q442 PolarHBondContact O-N 3.13Å; Q442-A445 PolarHBondContact O-N 2.78Å; Q442-A446 WeakPolarHBondContact O-CB 3.42Å; Q442-A446 PolarHBondContact O-N 3.47Å
443Q65.4Low59.5Low138 Ų138114.4 Ų114.465%0.64559%0.591SS**Hα-helixtrans-67.2-47172.4-72.7170.8-26.300111G440 A445 A446 E447G440-Q443 PolarHBondContact O-N 3.18Å; Q443-A445 VanDerWaalsContact C-N 3.26Å; Q443-A445 PolarHBondContact O-N 2.97Å; Q443-A446 CarbonylContact O-C 3.01Å; Q443-A446 PolarHBondContact O-N 2.93Å; Q443-A446 VanDerWaalsContact O-N 3.15Å; Q443-E447 WeakPolarHBondContact O-CB 3.44Å; Q443-E447 WeakPolarHBondContact O-CG 3.36Å; Q443-E447 PolarHBondContact O-N 2.88Å
444K73.4Confident59.9Low104 Ų104118.4 Ų118.445%0.45259%0.589SS.*Hα-helixtrans-62.5-31.1174.4-70.6161.2-173.3152.90112.5E439 G440 L441 A448E439-K444 PolarHBondContact O-NZ 2.82Å; G440-K444 WeakPolarHBondContact O-CB 3.48Å; G440-K444 WeakPolarHBondContact O-CD 3.37Å; G440-K444 VanDerWaalsContact O-CG 3.26Å; G440-K444 WeakPolarHBondContact O-CG 3.32Å; G440-K444 PolarHBondContact O-N 2.77Å; L441-K444 PolarHBondContact O-N 3.29Å; K444-A448 WeakPolarHBondContact O-CB 3.47Å; K444-A448 PolarHBondContact O-N 3.08Å
445A66.4Low60.3Low57 Ų57117.6 Ų117.647%0.47158%0.583SS.*Hα-helixtrans-71.4-4217300000111.7L441 Q442 Q443 A448 F449L441-A445 WeakPolarHBondContact O-CB 3.5Å; L441-A445 PolarHBondContact O-N 3.45Å; Q442-A445 PolarHBondContact O-N 2.78Å; Q443-A445 VanDerWaalsContact C-N 3.26Å; Q443-A445 PolarHBondContact O-N 2.97Å; A445-A448 PolarHBondContact O-N 2.88Å; A445-F449 VanDerWaalsContact O-CB 3.27Å; A445-F449 WeakPolarHBondContact O-CB 3.35Å; A445-F449 PolarHBondContact O-N 2.83Å
446A66.3Low60.8Low50 Ų50114.6 Ų114.641%0.41357%0.574SS.*Hα-helixtrans-66-44.6173.400000112Q442 Q443 F449 L450Q442-A446 WeakPolarHBondContact O-CB 3.42Å; Q442-A446 PolarHBondContact O-N 3.47Å; Q443-A446 CarbonylContact O-C 3.01Å; Q443-A446 PolarHBondContact O-N 2.93Å; Q443-A446 VanDerWaalsContact O-N 3.15Å; A446-F449 PolarHBondContact O-N 2.88Å; A446-L450 WeakPolarHBondContact O-CB 3.39Å; A446-L450 VanDerWaalsContact O-CG 3.31Å; A446-L450 WeakPolarHBondContact O-CG 3.15Å; A446-L450 PolarHBondContact O-N 3.4Å
447E65.3Low61Low127 Ų127110.7 Ų110.759%0.59357%0.568SS**Hα-helixtrans-61.7-42.8172.6-73.5179.6157.500111.5Q443 L450 R451Q443-E447 WeakPolarHBondContact O-CB 3.44Å; Q443-E447 WeakPolarHBondContact O-CG 3.36Å; Q443-E447 PolarHBondContact O-N 2.88Å; E447-L450 PolarHBondContact O-N 2.97Å; E447-R451 WeakPolarHBondContact O-CB 3.39Å; E447-R451 PolarHBondContact O-N 3.02Å
448A69.6Low61.5Low54 Ų54106.8 Ų106.845%0.44656%0.559SS.*Hα-helixtrans-65-39.3175.700000111.8K444 A445 R451 Q452K444-A448 WeakPolarHBondContact O-CB 3.47Å; K444-A448 PolarHBondContact O-N 3.08Å; A445-A448 PolarHBondContact O-N 2.88Å; A448-R451 PolarHBondContact O-N 3.29Å; A448-Q452 WeakPolarHBondContact O-CB 3.44Å; A448-Q452 PolarHBondContact O-N 2.83Å
449F64.8Low62.5Low124 Ų124107 Ų10754%0.54457%0.566SS.*Hα-helixtrans-65.5-46.1175.5178.5-96.2000112A445 A446 Q452 Q453A445-F449 VanDerWaalsContact O-CB 3.27Å; A445-F449 WeakPolarHBondContact O-CB 3.35Å; A445-F449 PolarHBondContact O-N 2.83Å; A446-F449 PolarHBondContact O-N 2.88Å; F449-Q452 CarbonylContact O-C 3.6Å; F449-Q452 PolarHBondContact O-N 2.97Å; F449-Q453 HydrophobicContact CE1-CG 4.37Å; F449-Q453 PolarHBondContact O-N 2.77Å
450L61Low63.5Low96 Ų96103.8 Ų103.850%0.50355%0.547SS..Hα-helixtrans-61.2-47.2173.7-72168.3000111A446 E447 Q452 Q453 E454A446-L450 WeakPolarHBondContact O-CB 3.39Å; A446-L450 VanDerWaalsContact O-CG 3.31Å; A446-L450 WeakPolarHBondContact O-CG 3.15Å; A446-L450 PolarHBondContact O-N 3.4Å; E447-L450 PolarHBondContact O-N 2.97Å; L450-Q452 PolarHBondContact O-N 3.07Å; L450-Q453 CarbonylContact O-C 3.59Å; L450-Q453 WeakPolarHBondContact O-CA 3.44Å; L450-Q453 WeakPolarHBondContact O-CB 3.44Å; L450-Q453 PolarHBondContact O-N 2.92Å; L450-E454 WeakPolarHBondContact O-CG 3.48Å; L450-E454 PolarHBondContact O-N 3.02Å
451R58.4Low64Low186 Ų186110.4 Ų110.470%0.70257%0.569SS**Hα-helixtrans-65.1-24.9176.5-161.8176.9-160.2167.55.6112.6E447 A448 A455E447-R451 WeakPolarHBondContact O-CB 3.39Å; E447-R451 PolarHBondContact O-N 3.02Å; A448-R451 PolarHBondContact O-N 3.29Å; R451-A455 WeakPolarHBondContact O-CB 3.42Å; R451-A455 PolarHBondContact O-N 3.23Å
452Q56.6Low64.5Low139 Ų139110.7 Ų110.765%0.6557%0.571SS**Hα-helixtrans-80.5-29.6172.1-171.8171.35.800112A448 F449 L450 A456A448-Q452 WeakPolarHBondContact O-CB 3.44Å; A448-Q452 PolarHBondContact O-N 2.83Å; F449-Q452 CarbonylContact O-C 3.6Å; F449-Q452 PolarHBondContact O-N 2.97Å; L450-Q452 PolarHBondContact O-N 3.07Å; Q452-A456 WeakPolarHBondContact O-CB 3.39Å; Q452-A456 PolarHBondContact O-N 2.82Å
453Q56.5Low65.3Low119 Ų119107.1 Ų107.156%0.55656%0.561SS**Hα-helixtrans-69.5-40.2165.1-72.5-172.1-16.600112F449 L450 A456F449-Q453 HydrophobicContact CE1-CG 4.37Å; F449-Q453 PolarHBondContact O-N 2.77Å; L450-Q453 CarbonylContact O-C 3.59Å; L450-Q453 WeakPolarHBondContact O-CA 3.44Å; L450-Q453 WeakPolarHBondContact O-CB 3.44Å; L450-Q453 PolarHBondContact O-N 2.92Å; Q453-A456 WeakPolarHBondContact O-CB 3.4Å; Q453-A456 PolarHBondContact O-N 2.81Å
454E57.8Low65.8Low161 Ų161109.5 Ų109.575%0.75257%0.565SS**Hα-helixtrans-66.5-36.9174.8-69.9177.4158.200112.4L450L450-E454 WeakPolarHBondContact O-CG 3.48Å; L450-E454 PolarHBondContact O-N 3.02Å
455A54.8Low65.6Low81 Ų81105.9 Ų105.967%0.66956%0.558SS**Hα-helixtrans-80.9-15.117500000113.5R451R451-A455 WeakPolarHBondContact O-CB 3.42Å; R451-A455 PolarHBondContact O-N 3.23Å
456A56.3Low64.9Low49 Ų49108.5 Ų108.541%0.40557%0.572SS.*SBendtrans-65.5131.4171.800000109.1Q452 Q453 N458Q452-A456 WeakPolarHBondContact O-CB 3.39Å; Q452-A456 PolarHBondContact O-N 2.82Å; Q453-A456 WeakPolarHBondContact O-CB 3.4Å; Q453-A456 PolarHBondContact O-N 2.81Å; A456-N458 VanDerWaalsContact C-N 3.33Å; A456-N458 PolarHBondContact O-N 3.11Å
457P57.9Low63.9Low101 Ų101111.8 Ų111.866%0.65659%0.587SS**  trans-69.888.5-176.227.3-34.3000110.8L459 L462P457-L459 PolarHBondContact O-N 3.31Å; P457-L462 HydrophobicContact CB-CD1 4Å
458N67.4Low62.7Low87 Ų87110.7 Ų110.747%0.46559%0.589SS.*  trans-60109.4-179-174.4-26.1000110.2A456 R460 K461 L462A456-N458 VanDerWaalsContact C-N 3.33Å; A456-N458 PolarHBondContact O-N 3.11Å; N458-R460 PolarHBondContact O-N 2.77Å; N458-R460 VanDerWaalsContact O-N 3.11Å; N458-R460 WeakPolarHBondContact OD1-CB 3.34Å; N458-R460 PolarHBondContact OD1-N 2.74Å; N458-K461 HydrophobicContact CB-CB 4.42Å; N458-K461 WeakPolarHBondContact O-CA 3.39Å; N458-K461 WeakPolarHBondContact O-CB 3.48Å; N458-K461 PolarHBondContact O-N 3.42Å; N458-L462 PolarHBondContact O-N 2.78Å; N458-L462 VanDerWaalsContact O-N 3.16Å
459L76.4Confident61.2Low132 Ų132116.2 Ų116.269%0.69161%0.605SS**Hα-helixtrans-54.4-32.7-177-69.8167.2000112.5P457 K461 L462 V463P457-L459 PolarHBondContact O-N 3.31Å; L459-K461 VanDerWaalsContact C-N 3.32Å; L459-K461 PolarHBondContact O-N 3.31Å; L459-L462 PolarHBondContact O-N 3.43Å; L459-V463 WeakPolarHBondContact O-CB 3.35Å; L459-V463 WeakPolarHBondContact O-CG2 3.31Å; L459-V463 PolarHBondContact O-N 3.14Å
460R71.8Confident59.9Low71 Ų71115.4 Ų115.427%0.26861%0.61SS.*Hα-helixtrans-56.7-45.7172.6-177.1179.173.9167.5-4.9111.7N458 Y464 S641 Y645N458-R460 PolarHBondContact O-N 2.77Å; N458-R460 VanDerWaalsContact O-N 3.11Å; N458-R460 WeakPolarHBondContact OD1-CB 3.34Å; N458-R460 PolarHBondContact OD1-N 2.74Å; R460-Y464 HydrophobicContact CG-CD2 4.43Å; R460-Y464 WeakPolarHBondContact O-CB 3.45Å; R460-Y464 PolarHBondContact O-N 2.98Å; R460-S641 PolarHBondContact NH1-OG 3.48Å; R460-S641 PolarHBondContact NH2-OG 3.13Å; R460-S641 VanDerWaalsContact NH2-OG 3.14Å; R460-Y645 WeakPolarHBondContact CD-OH 3.48Å
461K71.1Confident58.5Low164 Ų164116.6 Ų116.671%0.71362%0.622SS**Hα-helixtrans-75.3-25.5-178.3-165.9174.5-178.9178.80112.2N458 L459 G465N458-K461 HydrophobicContact CB-CB 4.42Å; N458-K461 WeakPolarHBondContact O-CA 3.39Å; N458-K461 WeakPolarHBondContact O-CB 3.48Å; N458-K461 PolarHBondContact O-N 3.42Å; L459-K461 VanDerWaalsContact C-N 3.32Å; L459-K461 PolarHBondContact O-N 3.31Å; K461-G465 VanDerWaalsContact O-CA 3.23Å; K461-G465 WeakPolarHBondContact O-CA 3.23Å; K461-G465 PolarHBondContact O-N 3.4Å; K461-G465 VanDerWaalsContact O-N 3.16Å
462L76.8Confident57.2Low110 Ų110114.8 Ų114.858%0.57662%0.621SS**Hα-helixtrans-78.6-34.9172.7-69.1177.2000113.5P457 N458 L459P457-L462 HydrophobicContact CB-CD1 4Å; N458-L462 PolarHBondContact O-N 2.78Å; N458-L462 VanDerWaalsContact O-N 3.16Å; L459-L462 PolarHBondContact O-N 3.43Å
463V76.9Confident55.9Low99 Ų99112.6 Ų112.660%0.662%0.621SS**Hα-helixtrans-87.5-39-177.9174.60000112.5L459L459-V463 WeakPolarHBondContact O-CB 3.35Å; L459-V463 WeakPolarHBondContact O-CG2 3.31Å; L459-V463 PolarHBondContact O-N 3.14Å
464Y76.6Confident55.1Low188 Ų188116.3 Ų116.374%0.73764%0.639SS**SBendtrans-117.6-10.4-173.8-58.4-71.9000114.6R460R460-Y464 HydrophobicContact CG-CD2 4.43Å; R460-Y464 WeakPolarHBondContact O-CB 3.45Å; R460-Y464 PolarHBondContact O-N 2.98Å
465G68.8Low53.8Low29 Ų29117.2 Ų117.230%0.29964%0.643SS.*SBendtrans-66145.6171.900000110.4K461 V467K461-G465 VanDerWaalsContact O-CA 3.23Å; K461-G465 WeakPolarHBondContact O-CA 3.23Å; K461-G465 PolarHBondContact O-N 3.4Å; K461-G465 VanDerWaalsContact O-N 3.16Å; G465-V467 PolarHBondContact O-N 3.23Å
466S51.9Low52.8Low112 Ų112122.4 Ų122.478%0.78365%0.653SS**  trans-62.2105.6169.550.40000108.8V468S466-V468 PolarHBondContact O-N 2.84Å
467V45Very low51.7Low118 Ų118129.3 Ų129.372%0.71568%0.677SS**  trans-63.292.2163.8-179.20000106.2G465 E469G465-V467 PolarHBondContact O-N 3.23Å; V467-E469 PolarHBondContact O-N 2.78Å; V467-E469 VanDerWaalsContact O-N 3.07Å
468V41.1Very low50.7Low105 Ų105133.3 Ų133.364%0.63669%0.687SS**  trans-58.4112.1157.6177.90000104.3S466 V470S466-V468 PolarHBondContact O-N 2.84Å; V468-V470 HydrophobicContact CG1-CG2 4.19Å; V468-V470 PolarHBondContact O-N 2.65Å
469E37.9Very low49.3Very low169 Ų169138.2 Ų138.279%0.7971%0.707SS**  trans-64.488.4164.1-71.1-167.4143.800106.4V467 T471V467-E469 PolarHBondContact O-N 2.78Å; V467-E469 VanDerWaalsContact O-N 3.07Å; E469-T471 PolarHBondContact O-N 2.83Å
470V35.9Very low47.3Very low107 Ų107140 Ų14065%0.64872%0.717SS**  trans-63.990.1160.9-179.60000104.6V468 E472V468-V470 HydrophobicContact CG1-CG2 4.19Å; V468-V470 PolarHBondContact O-N 2.65Å; V470-E472 PolarHBondContact O-N 3.21Å
471T32.8Very low46Very low121 Ų121139.8 Ų139.874%0.74274%0.736SS**  trans-53.8101.4154.749.60000105E469 S473E469-T471 PolarHBondContact O-N 2.83Å; T471-S473 VanDerWaalsContact C-N 3.28Å; T471-S473 PolarHBondContact O-N 3.32Å
472E31.5Very low45.1Very low149 Ų149135.9 Ų135.970%0.69674%0.743SS**  trans-58.794.5-178.5-71.8173.517300106.9V470 K494V470-E472 PolarHBondContact O-N 3.21Å; E472-K494 IonicContact OE1-NZ 3.9Å; E472-K494 PolarHBondContact OE1-NZ 3.05Å
473S29.6Very low43.6Very low93 Ų93137.9 Ų137.965%0.6575%0.753SS**  trans-65.1131.8171.846.60000107.5T471 E475T471-S473 VanDerWaalsContact C-N 3.28Å; T471-S473 PolarHBondContact O-N 3.32Å; S473-E475 PolarHBondContact O-N 3.18Å
474E37.9Very low41.5Very low196 Ų196142.4 Ų142.492%0.91677%0.765SS**  trans-65.991-172.3-61.4174.5143.400110.5
475E31.1Very low39.9Very low181 Ų181145.1 Ų145.185%0.84677%0.774SS**  trans-86.6128.8165.4-69.7-172157.100109S473S473-E475 PolarHBondContact O-N 3.18Å
476E34.9Very low38.6Very low189 Ų189149.5 Ų149.588%0.88380%0.795SS**  trans-75.3143-167.6-59.1177.4124.800112.2E478E476-E478 PolarHBondContact O-N 2.88Å; E476-E478 VanDerWaalsContact O-N 3.11Å
477E33.3Very low37.7Very low194 Ų194149.4 Ų149.491%0.90779%0.794SS**  trans-74.498.4177.2-68.2-168.813400111.2E479E477-E479 PolarHBondContact O-N 2.81Å; E477-E479 VanDerWaalsContact O-N 3.11Å
478E35.8Very low37.4Very low185 Ų185153.6 Ų153.686%0.86480%0.797SS**  trans-67.9104.3168-76.9-159138.700111.3E476 L480E476-E478 PolarHBondContact O-N 2.88Å; E476-E478 VanDerWaalsContact O-N 3.11Å; E478-L480 PolarHBondContact O-N 2.83Å; E478-L480 VanDerWaalsContact O-N 3.08Å
479E38.3Very low37.3Very low191 Ų191156.6 Ų156.689%0.89381%0.808SS**  trans-6999.7175.1-75.8-161.4116.400112.7E477E477-E479 PolarHBondContact O-N 2.81Å; E477-E479 VanDerWaalsContact O-N 3.11Å
480L34Very low37.1Very low170 Ų170156.8 Ų156.889%0.8981%0.809SS**  trans-97.395.4166.2-93.9168.2000112.7E478E478-L480 PolarHBondContact O-N 2.83Å; E478-L480 VanDerWaalsContact O-N 3.08Å
481G44.3Very low37.5Very low65 Ų65159.7 Ų159.767%0.6781%0.813SS**  trans92.119143.800000119.3L483G481-L483 VanDerWaalsContact C-N 3.25Å; G481-L483 PolarHBondContact O-N 3.07Å
482G51.8Low37.6Very low83 Ų83159 Ų15986%0.85681%0.814SS**SBendtrans56.50.3146.100000122
483L45.5Very low38.1Very low152 Ų152160.3 Ų160.380%0.79682%0.817SS**SBendtrans-122.7-11.9-169.8-133.776.3000115.5G481G481-L483 VanDerWaalsContact C-N 3.25Å; G481-L483 PolarHBondContact O-N 3.07Å
484F33.5Very low38.7Very low193 Ų193163.7 Ų163.785%0.84682%0.82SS**  trans-124.799.7179.3-76.3-81.1000111.9V486F484-V486 PolarHBondContact O-N 3.03Å
485R42.8Very low38.9Very low245 Ų245159.5 Ų159.593%0.92580%0.803SS**  trans-83.490.1169-164179.7-154.5-164.87.3109.7S487R485-S487 PolarHBondContact O-N 3.14Å
486V41Very low39.5Very low122 Ų122158.4 Ų158.474%0.73980%0.798SS**  trans-62.7101.6169.6178.80000108.4F484 R488F484-V486 PolarHBondContact O-N 3.03Å; V486-R488 PolarHBondContact O-N 2.77Å
487S33Very low40.3Very low109 Ų109154.2 Ų154.276%0.76280%0.796SS**  trans-71.380.5173.556.70000109.4R485 L489R485-S487 PolarHBondContact O-N 3.14Å; S487-L489 PolarHBondContact O-N 2.98Å
488R39.5Very low41.1Very low207 Ų207152.6 Ų152.678%0.78179%0.793SS**  trans-51.6115.3159.7-77.9178.8169.6156.5-2.7106.6V486 Q490V486-R488 PolarHBondContact O-N 2.77Å; R488-Q490 PolarHBondContact O-N 3.19Å
489L38Very low41.9Very low167 Ų167146.7 Ų146.787%0.87478%0.776SS**  trans-48.3136.5171.5-15777.5000107.4S487 K491S487-L489 PolarHBondContact O-N 2.98Å; L489-K491 PolarHBondContact O-N 3.08Å
490Q34.8Very low43Very low174 Ų174143.6 Ų143.681%0.81377%0.765SS**  trans-50.8130.1-167.3-72.8-166.5-18.200110.4R488 S492R488-Q490 PolarHBondContact O-N 3.19Å; Q490-S492 PolarHBondContact O-N 2.83Å
491K44.1Very low44.4Very low167 Ų167140.8 Ų140.873%0.72675%0.751SS**  trans-6580.6165.6-77.8-179.3175.4174.10107.6L489 K493L489-K491 PolarHBondContact O-N 3.08Å; K491-K493 VanDerWaalsContact C-N 3.32Å; K491-K493 PolarHBondContact O-N 3.03Å
492S35Very low45.3Very low108 Ų108144.1 Ų144.176%0.75576%0.762SS**  trans-59.495.2173.738.80000108Q490Q490-S492 PolarHBondContact O-N 2.83Å
493K41.8Very low46.2Very low176 Ų176144.8 Ų144.877%0.76575%0.754SS**  trans41.1103174.1-60.2171.2-176.2170.70113.7K491 L495K491-K493 VanDerWaalsContact C-N 3.32Å; K491-K493 PolarHBondContact O-N 3.03Å; K493-L495 HydrophobicContact CB-CG 4.28Å; K493-L495 PolarHBondContact O-N 2.92Å
494K42Very low47Very low163 Ų163145.9 Ų145.971%0.70975%0.748SS**  trans-57.382149.5-84.7-173.7177.7177.30107E472 Q496E472-K494 IonicContact OE1-NZ 3.9Å; E472-K494 PolarHBondContact OE1-NZ 3.05Å; K494-Q496 PolarHBondContact O-N 2.92Å
495L42.4Very low48.3Very low108 Ų108145.7 Ų145.757%0.56575%0.747SS**  trans-61.3122.7167.9-82.6159.1000105.8K493 A497K493-L495 HydrophobicContact CB-CG 4.28Å; K493-L495 PolarHBondContact O-N 2.92Å; L495-A497 PolarHBondContact O-N 2.85Å
496Q44.7Very low49.1Very low158 Ų158139.7 Ų139.774%0.73873%0.729SS**  trans-56.3124.6162.7-69.1172.5-46.100106.3K494 N498 A499K494-Q496 PolarHBondContact O-N 2.92Å; Q496-N498 PolarHBondContact O-N 2.9Å; Q496-A499 HydrophobicContact CB-CB 4.09Å; Q496-A499 VanDerWaalsContact O-CB 3.27Å; Q496-A499 WeakPolarHBondContact O-CB 3.41Å; Q496-A499 PolarHBondContact O-N 2.7Å
497A50.3Low50.1Low101 Ų101136.5 Ų136.584%0.83572%0.715SS**THydrogen-bonded Turntrans-59.1-19.5-167.700000113.9L495L495-A497 PolarHBondContact O-N 2.85Å
498N51Low51.4Low160 Ų160137.8 Ų137.886%0.85671%0.714SS**THydrogen-bonded Turntrans-102.411178.3-59-28.5000114.1Q496Q496-N498 PolarHBondContact O-N 2.9Å
499A52.6Low52.4Low61 Ų61134.1 Ų134.150%0.50472%0.715SS.*  trans-83.9-9.9-17800000114.6Q496Q496-A499 HydrophobicContact CB-CB 4.09Å; Q496-A499 VanDerWaalsContact O-CB 3.27Å; Q496-A499 WeakPolarHBondContact O-CB 3.41Å; Q496-A499 PolarHBondContact O-N 2.7Å
500L60.2Low53.5Low127 Ų127129.3 Ų129.367%0.66571%0.706SS**SBendtrans-97.7120.7172.6-67174.5000109.2C502L500-C502 PolarHBondContact O-N 3.21Å
501D64.3Low54.9Low110 Ų110126.4 Ų126.459%0.58869%0.692SS**  trans-74114.2-177.2175.413.8000111.6S503 R504D501-S503 PolarHBondContact O-N 2.99Å; D501-S503 VanDerWaalsContact OD1-CB 3.28Å; D501-S503 WeakPolarHBondContact OD1-CB 3.46Å; D501-S503 PolarHBondContact OD1-N 2.86Å; D501-S503 PolarHBondContact OD1-OG 2.97Å; D501-S503 WeakPolarHBondContact OD2-CB 3.49Å; D501-S503 PolarHBondContact OD2-OG 3.09Å; D501-R504 PolarHBondContact O-N 2.68Å
502C62.4Low55.9Low135 Ų135124.4 Ų124.491%0.91269%0.689SS**THydrogen-bonded Turntrans-57-15.6176.6-50.80000114.2L500 R504L500-C502 PolarHBondContact O-N 3.21Å; C502-R504 PolarHBondContact O-N 3.31Å
503S71.4Confident57.6Low98 Ų98125.8 Ų125.869%0.68568%0.678SS**THydrogen-bonded Turntrans-67.4-18.8173.789.90000113.4D501D501-S503 PolarHBondContact O-N 2.99Å; D501-S503 VanDerWaalsContact OD1-CB 3.28Å; D501-S503 WeakPolarHBondContact OD1-CB 3.46Å; D501-S503 PolarHBondContact OD1-N 2.86Å; D501-S503 PolarHBondContact OD1-OG 2.97Å; D501-S503 WeakPolarHBondContact OD2-CB 3.49Å; D501-S503 PolarHBondContact OD2-OG 3.09Å
504R62.5Low59.2Low174 Ų174124.8 Ų124.866%0.65768%0.681SS**SBendtrans-120.592.1-172-170176.2178.8149.22.6111.4D501 C502 H506D501-R504 PolarHBondContact O-N 2.68Å; C502-R504 PolarHBondContact O-N 3.31Å; R504-H506 WeakPolarHBondContact CD-NE2 3.5Å; R504-H506 PolarHBondContact NE-NE2 2.87Å; R504-H506 PolarHBondContact O-N 3.31Å
505F59.8Low61Low189 Ų189120.1 Ų120.183%0.82967%0.665SS**  trans-6398.3170.8-172.4-100.7000110.4A507F505-A507 HydrophobicContact CD1-CB 4.32Å; F505-A507 HydrophobicContact CE1-CB 3.85Å; F505-A507 PolarHBondContact O-N 3.26Å
506H59.6Low62.6Low120 Ų120122.1 Ų122.156%0.55667%0.672SS**  trans-79.5103.5163.4-86.4-93.3000108R504 D508R504-H506 WeakPolarHBondContact CD-NE2 3.5Å; R504-H506 PolarHBondContact NE-NE2 2.87Å; R504-H506 PolarHBondContact O-N 3.31Å; H506-D508 PolarHBondContact O-N 2.84Å
507A61.8Low64.1Low54 Ų54122.3 Ų122.345%0.44667%0.673SS.*  trans-68.8119.5160.200000107.6F505 T509F505-A507 HydrophobicContact CD1-CB 4.32Å; F505-A507 HydrophobicContact CE1-CB 3.85Å; F505-A507 PolarHBondContact O-N 3.26Å; A507-T509 HydrophobicContact CB-CG2 4.15Å; A507-T509 PolarHBondContact O-N 3.34Å
508D61.2Low65.4Low136 Ų136119.5 Ų119.573%0.72765%0.645SS**  trans-74.973.6174.9-79-34.4000110.4H506 G510H506-D508 PolarHBondContact O-N 2.84Å; D508-G510 PolarHBondContact O-N 2.78Å
509T60.8Low66.5Low131 Ų131115.3 Ų115.380%0.80462%0.623SS**  trans-73.958.1170.758.60000110.3A507A507-T509 HydrophobicContact CB-CG2 4.15Å; A507-T509 PolarHBondContact O-N 3.34Å
510G61Low67.8Low66 Ų66115.9 Ų115.968%0.6862%0.617SS**  trans-133.715.2-178.900000113.4D508D508-G510 PolarHBondContact O-N 2.78Å
511H63.4Low68.8Low113 Ų113114 Ų11452%0.52361%0.614SS.*SBendtrans-96.1122.2164.9-65.289.5000108W513H511-W513 HydrophobicContact CB-CD2 4.3Å; H511-W513 HydrophobicContact CB-CH2 4.3Å; H511-W513 HydrophobicContact CB-CZ2 3.87Å; H511-W513 PolarHBondContact O-N 3.47Å; H511-W513 VanDerWaalsContact O-N 3.08Å; H511-W513 PolarHBondContact O-NE1 2.92Å
512D65.1Low69.6Low124 Ų124110.7 Ų110.766%0.66360%0.596SS**  trans-79.588.3175.5-69.1-34.2000109D514 V515D512-D514 PolarHBondContact O-N 2.8Å; D512-V515 HydrophobicContact CB-CG2 4.16Å; D512-V515 WeakPolarHBondContact O-CG2 3.48Å; D512-V515 PolarHBondContact O-N 3.04Å; D512-V515 VanDerWaalsContact O-N 3.08Å
513W71.5Confident70.3Confident138 Ų138109.3 Ų109.352%0.52357%0.572SS.*THydrogen-bonded Turntrans-63-8.6-176.2-55.4101.6000114.7H511 V515 V518 L519 I522H511-W513 HydrophobicContact CB-CD2 4.3Å; H511-W513 HydrophobicContact CB-CH2 4.3Å; H511-W513 HydrophobicContact CB-CZ2 3.87Å; H511-W513 PolarHBondContact O-N 3.47Å; H511-W513 VanDerWaalsContact O-N 3.08Å; H511-W513 PolarHBondContact O-NE1 2.92Å; W513-V515 VanDerWaalsContact C-N 3.26Å; W513-V518 HydrophobicContact CE3-CG1 4.26Å; W513-V518 HydrophobicContact CZ3-CG1 4.4Å; W513-L519 WeakPolarHBondContact O-CD1 3.37Å; W513-L519 WeakPolarHBondContact O-CD2 3.29Å; W513-L519 VanDerWaalsContact O-CG 3.28Å; W513-L519 WeakPolarHBondContact O-CG 3.47Å; W513-I522 HydrophobicContact CE3-CD1 3.86Å; W513-I522 HydrophobicContact CZ3-CD1 3.71Å
514D74.9Confident70.5Confident155 Ų155108.6 Ų108.683%0.82956%0.561SS**THydrogen-bonded Turntrans-76.8-10.7173.9-59.9-37.3000112.7D512 Q516D512-D514 PolarHBondContact O-N 2.8Å; D514-Q516 PolarHBondContact O-N 2.87Å
515V80.9Confident71.1Confident64 Ų64105 Ų10539%0.38856%0.561SS.*  trans-78117.4178.5179.10000110.5D512 W513 E517 V518 L519D512-V515 HydrophobicContact CB-CG2 4.16Å; D512-V515 WeakPolarHBondContact O-CG2 3.48Å; D512-V515 PolarHBondContact O-N 3.04Å; D512-V515 VanDerWaalsContact O-N 3.08Å; W513-V515 VanDerWaalsContact C-N 3.26Å; V515-E517 VanDerWaalsContact C-N 3.31Å; V515-E517 HydrophobicContact CG1-CB 4.17Å; V515-E517 PolarHBondContact O-N 3.49Å; V515-V518 HydrophobicContact CB-CB 4.38Å; V515-V518 HydrophobicContact CB-CG2 3.99Å; V515-V518 HydrophobicContact CG1-CG2 4.07Å; V515-V518 WeakPolarHBondContact O-CB 3.35Å; V515-V518 PolarHBondContact O-N 3.14Å; V515-L519 PolarHBondContact O-N 2.83Å; V515-L519 VanDerWaalsContact O-N 3.07Å
516Q74.4Confident71.7Confident151 Ų151101.7 Ų101.771%0.70655%0.546SS*.Hα-helixtrans-59.5-36.5-176.6-70.1179.6-58.700113.5D514 V518 L519 D520D514-Q516 PolarHBondContact O-N 2.87Å; Q516-V518 VanDerWaalsContact C-N 3.27Å; Q516-V518 PolarHBondContact O-N 3.19Å; Q516-L519 CarbonylContact O-C 3.58Å; Q516-L519 PolarHBondContact O-N 3.33Å; Q516-L519 VanDerWaalsContact O-N 3.17Å; Q516-D520 WeakPolarHBondContact O-CB 3.33Å; Q516-D520 VanDerWaalsContact O-CG 3.23Å; Q516-D520 PolarHBondContact O-N 2.85Å
517E77.6Confident72.1Confident161 Ų161100.6 Ų100.675%0.75255%0.548SS*.Hα-helixtrans-60.2-36.1175.1-59.2177.7174.900112.4V515 S521V515-E517 VanDerWaalsContact C-N 3.31Å; V515-E517 HydrophobicContact CG1-CB 4.17Å; V515-E517 PolarHBondContact O-N 3.49Å; E517-S521 WeakPolarHBondContact O-CB 3.46Å; E517-S521 PolarHBondContact O-N 2.81Å; E517-S521 PolarHBondContact O-OG 2.88Å
518V76.7Confident72.3Confident43 Ų43102.8 Ų102.826%0.26156%0.556SS.*Hα-helixtrans-71.2-46174.8-1790000109.9W513 V515 Q516 D520 S521 I522W513-V518 HydrophobicContact CE3-CG1 4.26Å; W513-V518 HydrophobicContact CZ3-CG1 4.4Å; V515-V518 HydrophobicContact CB-CB 4.38Å; V515-V518 HydrophobicContact CB-CG2 3.99Å; V515-V518 HydrophobicContact CG1-CG2 4.07Å; V515-V518 WeakPolarHBondContact O-CB 3.35Å; V515-V518 PolarHBondContact O-N 3.14Å; Q516-V518 VanDerWaalsContact C-N 3.27Å; Q516-V518 PolarHBondContact O-N 3.19Å; V518-D520 VanDerWaalsContact C-N 3.3Å; V518-D520 PolarHBondContact O-N 3.26Å; V518-S521 PolarHBondContact O-N 3.42Å; V518-S521 PolarHBondContact O-OG 3.23Å; V518-I522 WeakPolarHBondContact O-CG1 3.46Å; V518-I522 PolarHBondContact O-N 3.37Å; V518-I522 VanDerWaalsContact O-N 3.11Å
519L75.3Confident72.5Confident72 Ų7296.3 Ų96.338%0.37752%0.522SS..Hα-helixtrans-59.7-37.1176-68.4173.1000113W513 V515 Q516 I522 R523W513-L519 WeakPolarHBondContact O-CD1 3.37Å; W513-L519 WeakPolarHBondContact O-CD2 3.29Å; W513-L519 VanDerWaalsContact O-CG 3.28Å; W513-L519 WeakPolarHBondContact O-CG 3.47Å; V515-L519 PolarHBondContact O-N 2.83Å; V515-L519 VanDerWaalsContact O-N 3.07Å; Q516-L519 CarbonylContact O-C 3.58Å; Q516-L519 PolarHBondContact O-N 3.33Å; Q516-L519 VanDerWaalsContact O-N 3.17Å; L519-I522 HydrophobicContact CD2-CD1 4.35Å; L519-R523 WeakPolarHBondContact O-CB 3.49Å; L519-R523 PolarHBondContact O-N 3.09Å; L519-R523 VanDerWaalsContact O-N 3.1Å
520D79.3Confident72.7Confident73 Ų7397.2 Ų97.239%0.3951%0.514SS..Hα-helixtrans-67.1-49.2174.4-70.6-25.9000110.2Q516 V518 I522 R523Q516-D520 WeakPolarHBondContact O-CB 3.33Å; Q516-D520 VanDerWaalsContact O-CG 3.23Å; Q516-D520 PolarHBondContact O-N 2.85Å; V518-D520 VanDerWaalsContact C-N 3.3Å; V518-D520 PolarHBondContact O-N 3.26Å; D520-I522 PolarHBondContact O-N 3.25Å; D520-R523 VanDerWaalsContact O-CB 3.28Å; D520-R523 WeakPolarHBondContact O-CB 3.01Å; D520-R523 PolarHBondContact O-N 3.24Å; D520-R523 IonicContact OD1-CZ 3.82Å; D520-R523 IonicContact OD1-NH1 2.98Å; D520-R523 PolarHBondContact OD1-NH1 3.49Å; D520-R523 IonicContact OD1-NH2 3.73Å; D520-R523 PolarHBondContact OD1-NH2 2.62Å
521S81.6Confident72.7Confident87 Ų87101.3 Ų101.361%0.60851%0.509SS*.Hα-helixtrans-62.2-22.3179.472.10000115.4E517 V518E517-S521 WeakPolarHBondContact O-CB 3.46Å; E517-S521 PolarHBondContact O-N 2.81Å; E517-S521 PolarHBondContact O-OG 2.88Å; V518-S521 PolarHBondContact O-N 3.42Å; V518-S521 PolarHBondContact O-OG 3.23Å
522I79.7Confident72.8Confident40 Ų40101.9 Ų101.921%0.20551%0.512CS..THydrogen-bonded Turntrans-102.1-3.5174.770.6-174.5000112.9W513 V518 L519 D520 D524 C525 F526W513-I522 HydrophobicContact CE3-CD1 3.86Å; W513-I522 HydrophobicContact CZ3-CD1 3.71Å; V518-I522 WeakPolarHBondContact O-CG1 3.46Å; V518-I522 PolarHBondContact O-N 3.37Å; V518-I522 VanDerWaalsContact O-N 3.11Å; L519-I522 HydrophobicContact CD2-CD1 4.35Å; D520-I522 PolarHBondContact O-N 3.25Å; I522-D524 PolarHBondContact O-N 2.97Å; I522-C525 VanDerWaalsContact O-CB 3.32Å; I522-C525 WeakPolarHBondContact O-CB 3.32Å; I522-C525 PolarHBondContact O-N 2.79Å; I522-F526 HydrophobicContact CB-CE2 4.4Å; I522-F526 HydrophobicContact CD1-CE2 4.01Å; I522-F526 HydrophobicContact CG1-CD2 4.42Å; I522-F526 HydrophobicContact CG1-CE2 3.97Å; I522-F526 VanDerWaalsContact O-CD2 3.26Å; I522-F526 WeakPolarHBondContact O-CD2 3.22Å
523R78.1Confident72.4Confident106 Ų106106.2 Ų106.240%0.453%0.528SS..G310 helixtrans-58.5-36.7-175.3-171.6179.2-79.4125.210.4111.4L519 D520 C525 F526 T528 G529L519-R523 WeakPolarHBondContact O-CB 3.49Å; L519-R523 PolarHBondContact O-N 3.09Å; L519-R523 VanDerWaalsContact O-N 3.1Å; D520-R523 VanDerWaalsContact O-CB 3.28Å; D520-R523 WeakPolarHBondContact O-CB 3.01Å; D520-R523 PolarHBondContact O-N 3.24Å; D520-R523 IonicContact OD1-CZ 3.82Å; D520-R523 IonicContact OD1-NH1 2.98Å; D520-R523 PolarHBondContact OD1-NH1 3.49Å; D520-R523 IonicContact OD1-NH2 3.73Å; D520-R523 PolarHBondContact OD1-NH2 2.62Å; R523-C525 PolarHBondContact O-N 3.19Å; R523-F526 PolarHBondContact O-N 3.33Å; R523-T528 WeakPolarHBondContact CD-O 3.24Å; R523-T528 WeakPolarHBondContact CG-O 3.11Å; R523-G529 WeakPolarHBondContact O-CA 3.15Å; R523-G529 PolarHBondContact O-N 2.82Å
524D75.1Confident71.7Confident84 Ų84103.2 Ų103.245%0.44954%0.54SS..G310 helixtrans-74.2-6.2178.8-52.9-35.3000113.7I522 G529 K530 W531I522-D524 PolarHBondContact O-N 2.97Å; D524-G529 WeakPolarHBondContact OD1-CA 3.41Å; D524-K530 PolarHBondContact OD1-N 3.01Å; D524-W531 PolarHBondContact O-NE1 3.07Å
525C75.5Confident70.9Confident98 Ų98101.1 Ų101.166%0.66253%0.525SS*.G310 helixtrans-87.3-4.2165-64.90000113.1I522 R523I522-C525 VanDerWaalsContact O-CB 3.32Å; I522-C525 WeakPolarHBondContact O-CB 3.32Å; I522-C525 PolarHBondContact O-N 2.79Å; R523-C525 PolarHBondContact O-N 3.19Å
526F73.5Confident69.8Low120 Ų120100.4 Ų100.453%0.52652%0.519SS..THydrogen-bonded Turntrans-119.5167.3179.9-66.2-77000111.7I522 R523 T528 G529 W531I522-F526 HydrophobicContact CB-CE2 4.4Å; I522-F526 HydrophobicContact CD1-CE2 4.01Å; I522-F526 HydrophobicContact CG1-CD2 4.42Å; I522-F526 HydrophobicContact CG1-CE2 3.97Å; I522-F526 VanDerWaalsContact O-CD2 3.26Å; I522-F526 WeakPolarHBondContact O-CD2 3.22Å; R523-F526 PolarHBondContact O-N 3.33Å; F526-T528 PolarHBondContact O-N 3.14Å; F526-G529 PolarHBondContact O-N 3.23Å; F526-W531 PolarHBondContact O-NE1 3.48Å
527V66.5Low68.9Low97 Ų9793.6 Ų93.659%0.58849%0.489SS*.THydrogen-bonded Turntrans-71.820.7178.4-160.10000112.5A537 L541V527-A537 HydrophobicContact CG1-CB 3.91Å; V527-A537 VanDerWaalsContact O-CB 3.3Å; V527-A537 WeakPolarHBondContact O-CB 3.08Å; V527-L541 HydrophobicContact CG1-CD1 4.48Å
528T66.8Low67.9Low99 Ų9988.5 Ų88.561%0.60747%0.474SS*.THydrogen-bonded Turntrans-125.4-2.3179.451.80000113R523 F526R523-T528 WeakPolarHBondContact CD-O 3.24Å; R523-T528 WeakPolarHBondContact CG-O 3.11Å; F526-T528 PolarHBondContact O-N 3.14Å
529G64.4Low67.1Low1 Ų189.4 Ų89.41%0.0148%0.48CS..SBendtrans-101.3-178.4176.800000114.3R523 D524 F526R523-G529 WeakPolarHBondContact O-CA 3.15Å; R523-G529 PolarHBondContact O-N 2.82Å; D524-G529 WeakPolarHBondContact OD1-CA 3.41Å; F526-G529 PolarHBondContact O-N 3.23Å
530K64.8Low66.4Low149 Ų14990.7 Ų90.765%0.64849%0.487SS*.BIsolated β-bridgetrans-105.292.2-174.6-68.7-167.7164-1660110.5D524D524-K530 PolarHBondContact OD1-N 3.01Å
531W62.3Low65.4Low153 Ų15391.8 Ų91.858%0.5849%0.492SS*.SBendtrans-74.4-33.9-174.5-67.451.3000111.7D524 F526D524-W531 PolarHBondContact O-NE1 3.07Å; F526-W531 PolarHBondContact O-NE1 3.48Å
532E63.9Low64.3Low125 Ų12594.4 Ų94.458%0.58449%0.492SS*.SBendtrans-164.8160.4173.4-110.9168-157.900109.6G534 Q535E532-G534 PolarHBondContact O-N 3.08Å; E532-Q535 HydrophobicContact CB-CB 4.25Å; E532-Q535 HydrophobicContact CB-CG 4.34Å; E532-Q535 PolarHBondContact O-N 3.37Å; E532-Q535 PolarHBondContact OE2-NE2 3.1Å
533E56.7Low63.1Low215 Ų21596.5 Ų96.5100%1.00550%0.501SS*.THydrogen-bonded Turntrans-60.1-16.8-178.5-69-170.1134.100114.8
534G58.2Low61.9Low74 Ų7496.5 Ų96.576%0.76351%0.509SS*.THydrogen-bonded Turntrans-109.32.7175.500000115.5E532E532-G534 PolarHBondContact O-N 3.08Å
535Q57.9Low60.7Low112 Ų11299.4 Ų99.452%0.52352%0.52SS..  trans-129.943.5-171.3-58.8-165.865.800112.1E532 A537E532-Q535 HydrophobicContact CB-CB 4.25Å; E532-Q535 HydrophobicContact CB-CG 4.34Å; E532-Q535 PolarHBondContact O-N 3.37Å; E532-Q535 PolarHBondContact OE2-NE2 3.1Å; Q535-A537 PolarHBondContact O-N 3.25Å
536D57.3Low59.6Low49 Ų49100.6 Ų100.626%0.26252%0.516SS..BIsolated β-bridgetrans-72.3110.6-177.4-155.8-2.1000110.3A538 T539 L540D536-A538 PolarHBondContact O-N 3.21Å; D536-A538 VanDerWaalsContact O-N 3.16Å; D536-T539 HydrophobicContact CB-CG2 4.05Å; D536-T539 WeakPolarHBondContact O-CA 3.47Å; D536-T539 WeakPolarHBondContact O-CB 3.5Å; D536-T539 PolarHBondContact O-N 3.03Å; D536-T539 PolarHBondContact O-OG1 3.27Å; D536-L540 PolarHBondContact O-N 3.46Å
537A54.9Low58.4Low7 Ų7101.1 Ų101.16%0.05852%0.524CS..Hα-helixtrans-63.4-26.3-169.300000113.4V527 Q535 T539 L540 L541V527-A537 HydrophobicContact CG1-CB 3.91Å; V527-A537 VanDerWaalsContact O-CB 3.3Å; V527-A537 WeakPolarHBondContact O-CB 3.08Å; Q535-A537 PolarHBondContact O-N 3.25Å; A537-T539 VanDerWaalsContact C-N 3.27Å; A537-T539 PolarHBondContact O-N 2.89Å; A537-L540 PolarHBondContact O-N 3.27Å; A537-L541 PolarHBondContact O-N 2.99Å
538A57.5Low57.6Low54 Ų54106.6 Ų106.645%0.44654%0.535SS..Hα-helixtrans-63.7-29.6170.200000112.9D536 K542D536-A538 PolarHBondContact O-N 3.21Å; D536-A538 VanDerWaalsContact O-N 3.16Å; A538-K542 WeakPolarHBondContact O-CB 3.42Å; A538-K542 WeakPolarHBondContact O-CG 3.48Å; A538-K542 PolarHBondContact O-N 2.73Å; A538-K542 VanDerWaalsContact O-N 3.16Å
539T60.3Low56.6Low63 Ų63103.4 Ų103.439%0.38752%0.522SS..Hα-helixtrans-78.8-27.2174.170.80000112.5D536 A537 Q543D536-T539 HydrophobicContact CB-CG2 4.05Å; D536-T539 WeakPolarHBondContact O-CA 3.47Å; D536-T539 WeakPolarHBondContact O-CB 3.5Å; D536-T539 PolarHBondContact O-N 3.03Å; D536-T539 PolarHBondContact O-OG1 3.27Å; A537-T539 VanDerWaalsContact C-N 3.27Å; A537-T539 PolarHBondContact O-N 2.89Å; T539-Q543 WeakPolarHBondContact O-CB 3.44Å; T539-Q543 WeakPolarHBondContact O-CG 3.35Å; T539-Q543 PolarHBondContact O-N 2.82Å; T539-Q543 PolarHBondContact O-NE2 3.01Å
540L60.7Low55.5Low99 Ų99107.7 Ų107.752%0.51854%0.544SS..Hα-helixtrans-72-43.8172.6-71.4173.1000111.4D536 A537 Q543 D544D536-L540 PolarHBondContact O-N 3.46Å; A537-L540 PolarHBondContact O-N 3.27Å; L540-Q543 WeakPolarHBondContact O-CB 2.95Å; L540-Q543 PolarHBondContact O-N 3.25Å; L540-Q543 VanDerWaalsContact O-N 3.14Å; L540-D544 PolarHBondContact O-N 3.37Å
541L57.3Low54.4Low96 Ų96108.2 Ų108.250%0.50355%0.547SS..Hα-helixtrans-62.7-42.7174.7-78.7167.3000112.2V527 A537 Q543 D544 E545V527-L541 HydrophobicContact CG1-CD1 4.48Å; A537-L541 PolarHBondContact O-N 2.99Å; L541-Q543 VanDerWaalsContact C-N 3.3Å; L541-Q543 PolarHBondContact O-N 3.31Å; L541-D544 PolarHBondContact O-N 3.43Å; L541-E545 PolarHBondContact O-N 3.14Å
542K59.1Low53.5Low141 Ų141106.6 Ų106.661%0.61355%0.546SS*.Hα-helixtrans-63-33.8171.9-76.8-173.7173-167.70113.2A538 E545 E546A538-K542 WeakPolarHBondContact O-CB 3.42Å; A538-K542 WeakPolarHBondContact O-CG 3.48Å; A538-K542 PolarHBondContact O-N 2.73Å; A538-K542 VanDerWaalsContact O-N 3.16Å; K542-E545 PolarHBondContact O-N 2.88Å; K542-E546 WeakPolarHBondContact O-CB 3.34Å; K542-E546 WeakPolarHBondContact O-CG 3.5Å; K542-E546 PolarHBondContact O-N 2.9Å
543Q54.8Low52.7Low85 Ų85105 Ų10540%0.39754%0.541SS..Hα-helixtrans-69.4-34.4174.5-82.3165.775.500112.6T539 L540 L541 L547T539-Q543 WeakPolarHBondContact O-CB 3.44Å; T539-Q543 WeakPolarHBondContact O-CG 3.35Å; T539-Q543 PolarHBondContact O-N 2.82Å; T539-Q543 PolarHBondContact O-NE2 3.01Å; L540-Q543 WeakPolarHBondContact O-CB 2.95Å; L540-Q543 PolarHBondContact O-N 3.25Å; L540-Q543 VanDerWaalsContact O-N 3.14Å; L541-Q543 VanDerWaalsContact C-N 3.3Å; L541-Q543 PolarHBondContact O-N 3.31Å; Q543-L547 WeakPolarHBondContact O-CB 3.41Å; Q543-L547 PolarHBondContact O-N 3.27Å
544D52.1Low52.5Low105 Ų105102.5 Ų102.556%0.56153%0.534SS*.Hα-helixtrans-72.4-34173.7-86.6-6.1000112.1L540 L541 Y548L540-D544 PolarHBondContact O-N 3.37Å; L541-D544 PolarHBondContact O-N 3.43Å; D544-Y548 PolarHBondContact O-N 3.07Å
545E51.1Low52Low146 Ų146108 Ų10868%0.68254%0.54SS*.Hα-helixtrans-66.4-49.2169.6-82.4-178.314500111.8L541 K542 L547 Y548 G549L541-E545 PolarHBondContact O-N 3.14Å; K542-E545 PolarHBondContact O-N 2.88Å; E545-L547 PolarHBondContact O-N 3.19Å; E545-Y548 PolarHBondContact O-N 2.98Å; E545-G549 PolarHBondContact O-N 3.4Å
546E51.2Low52.1Low123 Ų123107.5 Ų107.558%0.57554%0.544SS*.Hα-helixtrans-58.4-33.2173.8-78.2180-169.800112.5K542 Y548K542-E546 WeakPolarHBondContact O-CB 3.34Å; K542-E546 WeakPolarHBondContact O-CG 3.5Å; K542-E546 PolarHBondContact O-N 2.9Å; E546-Y548 VanDerWaalsContact C-N 3.3Å; E546-Y548 PolarHBondContact O-N 3.31Å
547L49.7Very low51.7Low131 Ų131107.7 Ų107.769%0.68656%0.558SS**Hα-helixtrans-75.3-16.2-178.7-173.561.7000113.7Q543 E545Q543-L547 WeakPolarHBondContact O-CB 3.41Å; Q543-L547 PolarHBondContact O-N 3.27Å; E545-L547 PolarHBondContact O-N 3.19Å
548Y48Very low51.2Low212 Ų212113.8 Ų113.883%0.83159%0.585SS**Hα-helixtrans-119.5-11.6179.2-97.9-83.3000115D544 E545 E546D544-Y548 PolarHBondContact O-N 3.07Å; E545-Y548 PolarHBondContact O-N 2.98Å; E546-Y548 VanDerWaalsContact C-N 3.3Å; E546-Y548 PolarHBondContact O-N 3.31Å
549G45.6Very low50.8Low31 Ų31114.8 Ų114.832%0.3259%0.586SS.*Hα-helixtrans-77.1-50.8-178.700000114.4E545 F551E545-G549 PolarHBondContact O-N 3.4Å; G549-F551 PolarHBondContact O-N 3.2Å
550D43.2Very low50.1Low91 Ų91118.6 Ų118.649%0.48760%0.599SS.*  trans-89.297.7-169.6-67.6-16.7000111.9V559D550-V559 HydrophobicContact CB-CG1 4.49Å
551F41.6Very low49Very low161 Ų161118.3 Ų118.371%0.70660%0.601SS**EExtended strand (participates in β ladder)trans-99.3109.4176-150.6-89.7000110.9G549G549-F551 PolarHBondContact O-N 3.2Å
552E43Very low47.9Very low118 Ų118118.1 Ų118.155%0.55161%0.608SS**EExtended strand (participates in β ladder)trans-88.4114176.2-178.1176.8-148.900109.8L554 V559E552-L554 PolarHBondContact O-N 2.95Å; E552-V559 HydrophobicContact CB-CG2 4.2Å; E552-V559 HydrophobicContact CG-CG2 3.98Å
553D46.6Very low46.7Very low92 Ų92119.7 Ų119.749%0.49262%0.617SS.*  trans-82.2106.1-177.2-163-5.3000111.4E555 T556 G557 E558D553-E555 PolarHBondContact O-N 3.12Å; D553-T556 PolarHBondContact O-N 3.11Å; D553-T556 PolarHBondContact O-OG1 3.28Å; D553-G557 PolarHBondContact O-N 3.02Å; D553-E558 PolarHBondContact N-O 2.78Å
554L52.3Low45.8Very low162 Ų162121.8 Ų121.885%0.84864%0.639SS**THydrogen-bonded Turntrans-70.53.1-167.9-91.9164.4000115.7E552E552-L554 PolarHBondContact O-N 2.95Å
555E48.1Very low44.7Very low189 Ų189126 Ų12688%0.88366%0.655SS**THydrogen-bonded Turntrans-106.3-8.2170.7-157.8160.4-137.500113.2D553D553-E555 PolarHBondContact O-N 3.12Å
556T59Low43.8Very low102 Ų102126.6 Ų126.663%0.62666%0.662SS**THydrogen-bonded Turntrans-128.7-32177.853.70000114.9D553D553-T556 PolarHBondContact O-N 3.11Å; D553-T556 PolarHBondContact O-OG1 3.28Å
557G49.8Very low42.8Very low53 Ų53126.5 Ų126.555%0.54667%0.67SS.*  trans83.618.9176.100000115.9D553D553-G557 PolarHBondContact O-N 3.02Å
558E44.5Very low41.8Very low135 Ų135127.6 Ų127.663%0.63167%0.672SS**  trans-92.9138.1170.8-68.1-179.2138.200110.7D553D553-E558 PolarHBondContact N-O 2.78Å
559V49.1Very low40.9Very low76 Ų76123.3 Ų123.346%0.46166%0.664SS.*EExtended strand (participates in β ladder)trans-104.2111.9178-178.50000109D550 E552 V561D550-V559 HydrophobicContact CB-CG1 4.49Å; E552-V559 HydrophobicContact CB-CG2 4.2Å; E552-V559 HydrophobicContact CG-CG2 3.98Å; V559-V561 HydrophobicContact CG1-CG2 4.09Å; V559-V561 PolarHBondContact O-N 3.14Å
560H45.3Very low40.1Very low143 Ų143129 Ų12966%0.66269%0.687SS**EExtended strand (participates in β ladder)trans-82.895.6175-88.4-95.5000111.1
561V38.1Very low39.3Very low92 Ų92131.3 Ų131.356%0.55870%0.699SS**  trans-84.6122.2170.4-178.10000109.7V559 Q563V559-V561 HydrophobicContact CG1-CG2 4.09Å; V559-V561 PolarHBondContact O-N 3.14Å; V561-Q563 PolarHBondContact O-N 3.22Å
562S34.8Very low38.7Very low93 Ų93130.9 Ų130.965%0.6570%0.704SS**  trans-89.5102.517560.70000111.8
563Q33Very low38Very low173 Ų173132 Ų13281%0.80871%0.714SS**PPolyproline II helixtrans-81140.2167.4-68.8-169.80.400111.2V561V561-Q563 PolarHBondContact O-N 3.22Å
564P36Very low37.1Very low130 Ų130134.9 Ų134.984%0.84473%0.729SS**PPolyproline II helixtrans-79.5125.5177.731.2-33000111.4
565Q28.5Very low35.9Very low193 Ų193134.1 Ų134.190%0.90273%0.726SS**PPolyproline II helixtrans-98.3116.7164.9-76.9-175-45.200110.3
566D32Very low34.9Very low158 Ų158132.4 Ų132.485%0.84572%0.723SS**PPolyproline II helixtrans-73.6157.6150.7-94.9-46.6000109.7
567T30.4Very low33.3Very low121 Ų121137.1 Ų137.174%0.74274%0.738SS**PPolyproline II helixtrans-55147.6170.644.90000112.3
568Q29.2Very low32.3Very low154 Ų154143.2 Ų143.272%0.7275%0.752SS**  cis-166.8156.931.4-135.1178.4-67.600113.1
569D28Very low32.4Very low123 Ų123141 Ų14166%0.65875%0.75SS**  trans60.8105.7155.4-53.7-22.5000122.8
570D28.8Very low31.3Very low149 Ų149145.8 Ų145.880%0.79777%0.767SS**  trans59.1143.4133.9-59-10.6000127.1
571D27.9Very low30.6Very low141 Ų141145.3 Ų145.375%0.75477%0.774SS**  trans76.1100.2154.3-63.6-4.2000124.6
572D28Very low30.8Very low151 Ų151148 Ų14881%0.80778%0.778SS**  64144.2128.5-65.7-6.7000127.6
573D28.3Very low30.6Very low142 Ų142151.9 Ų151.976%0.75979%0.788SS**  trans69.898.4152.6-68-1.5000124.8
574D27.6Very low31.1Very low152 Ų152150.1 Ų150.181%0.81378%0.784SS**  58.7153.2120.9-79.6-9000127.1
575D26.8Very low31.8Very low146 Ų146148.9 Ų148.978%0.78177%0.77SS**  trans80.2114159.5-75.9-9.6000124
576D27.3Very low32.9Very low154 Ų154145.5 Ų145.582%0.82476%0.755SS**  trans51.1115.3141.1-78-16.8000123.9
577E25.7Very low34Very low201 Ų201143.9 Ų143.994%0.93974%0.742SS**  -165.7143.3116.1-110.9-179.9-168.700113.1
578E29.8Very low35.2Very low181 Ų181141.3 Ų141.385%0.84673%0.726SS**  trans-137.4162.9176.4-123.2-154.8-150.400108.4
579P45.5Very low36.4Very low89 Ų89138.6 Ų138.658%0.57871%0.713SS**  cis-139.1-156.9-11.232.6-8.7000113.9
580Q27.2Very low38Very low176 Ų176138.7 Ų138.782%0.82271%0.708SS**  trans89.3145.1165.3-47.5-171.86.800116.3
581V30.3Very low39.5Very low132 Ų132136.2 Ų136.280%0.870%0.695SS**  cis-127.9145.213.3175.90000111.6
582K41.5Very low41.1Very low150 Ų150135.8 Ų135.865%0.65269%0.686SS**  trans-105.7135.5160-76.1-179.2166.5-169.10110.3E586K582-E586 IonicContact NZ-OE1 2.87Å; K582-E586 PolarHBondContact NZ-OE1 3.15Å
583M30.5Very low42.5Very low173 Ų173137 Ų13785%0.85268%0.679SS**  trans-153.3175.1133.7-71.5-148174.800108.2D585M583-D585 PolarHBondContact O-N 3.08Å; M583-D585 VanDerWaalsContact O-N 3.13Å
584D43Very low44.2Very low137 Ų137135.4 Ų135.473%0.73367%0.67SS**SBendtrans74.2-39.6-178.7-57.7-8.2000118.7E586 E587D584-E586 VanDerWaalsContact C-N 3.26Å; D584-E586 PolarHBondContact O-N 3.31Å; D584-E586 VanDerWaalsContact O-N 3.15Å; D584-E587 PolarHBondContact O-N 2.86Å
585D50.8Low46.2Very low104 Ų104132.2 Ų132.256%0.55665%0.65SS**Hα-helixtrans-57.5-34.5-176.7-98.5-45.3000114.2M583 E587 V588 Q589M583-D585 PolarHBondContact O-N 3.08Å; M583-D585 VanDerWaalsContact O-N 3.13Å; D585-E587 PolarHBondContact O-N 3.48Å; D585-V588 PolarHBondContact O-N 3Å; D585-Q589 WeakPolarHBondContact O-CB 3.29Å; D585-Q589 VanDerWaalsContact O-CG 3.3Å; D585-Q589 WeakPolarHBondContact O-CG 3.12Å; D585-Q589 PolarHBondContact O-N 3.17Å
586E51.2Low48Very low122 Ų122131.7 Ų131.757%0.5764%0.641SS**Hα-helixtrans-71.8-31.1-172.1-61.8-167.9177.600112.7K582 D584 K590K582-E586 IonicContact NZ-OE1 2.87Å; K582-E586 PolarHBondContact NZ-OE1 3.15Å; D584-E586 VanDerWaalsContact C-N 3.26Å; D584-E586 PolarHBondContact O-N 3.31Å; D584-E586 VanDerWaalsContact O-N 3.15Å; E586-K590 WeakPolarHBondContact O-CB 3.43Å; E586-K590 PolarHBondContact O-N 3.35Å
587E55.6Low50.1Low123 Ų123131.8 Ų131.858%0.57563%0.634SS**Hα-helixtrans-73.1-41.1173-69.5-123.6113.900111.5D584 D585 Q589 K590 N591D584-E587 PolarHBondContact O-N 2.86Å; D585-E587 PolarHBondContact O-N 3.48Å; E587-Q589 PolarHBondContact O-N 3.04Å; E587-K590 PolarHBondContact O-N 3.27Å; E587-N591 WeakPolarHBondContact O-CB 3.26Å; E587-N591 PolarHBondContact O-N 3.44Å
588V56.5Low52.1Low67 Ų67129.6 Ų129.641%0.40662%0.617SS.*Hα-helixtrans-62-43.5175.7177.90000110.7D585 K592D585-V588 PolarHBondContact O-N 3Å; V588-K592 HydrophobicContact CG1-CD 4.1Å; V588-K592 WeakPolarHBondContact O-CB 3.29Å; V588-K592 VanDerWaalsContact O-CG 3.27Å; V588-K592 WeakPolarHBondContact O-CG 3.45Å; V588-K592 PolarHBondContact O-N 3.49Å
589Q54.3Low53.9Low98 Ų98127.6 Ų127.646%0.45860%0.602SS.*Hα-helixtrans-66.3-37.9174.6-71.4-178.527.400112.8D585 E587 R593D585-Q589 WeakPolarHBondContact O-CB 3.29Å; D585-Q589 VanDerWaalsContact O-CG 3.3Å; D585-Q589 WeakPolarHBondContact O-CG 3.12Å; D585-Q589 PolarHBondContact O-N 3.17Å; E587-Q589 PolarHBondContact O-N 3.04Å; Q589-R593 WeakPolarHBondContact O-CB 3.41Å; Q589-R593 WeakPolarHBondContact O-CG 3.47Å; Q589-R593 PolarHBondContact O-N 2.9Å
590K61.1Low55Low124 Ų124129.2 Ų129.254%0.53961%0.605SS.*Hα-helixtrans-66.9-41.6177.7-175.7-178.6178.2-168.10111.8E586 E587 R593 L594E586-K590 WeakPolarHBondContact O-CB 3.43Å; E586-K590 PolarHBondContact O-N 3.35Å; E587-K590 PolarHBondContact O-N 3.27Å; K590-R593 PolarHBondContact O-N 2.99Å; K590-L594 WeakPolarHBondContact O-CB 3.35Å; K590-L594 PolarHBondContact O-N 3.47Å
591N60.4Low57.4Low98 Ų98127.7 Ų127.752%0.52460%0.596SS.*Hα-helixtrans-67.7-45173.8-74.7-23.7000111.7E587 R593 L594 E595E587-N591 WeakPolarHBondContact O-CB 3.26Å; E587-N591 PolarHBondContact O-N 3.44Å; N591-R593 VanDerWaalsContact C-N 3.29Å; N591-R593 PolarHBondContact O-N 3.15Å; N591-L594 PolarHBondContact O-N 2.98Å; N591-L594 VanDerWaalsContact O-N 3.14Å; N591-E595 PolarHBondContact O-N 2.94Å
592K61Low59.4Low131 Ų131125.7 Ų125.757%0.5758%0.578SS**Hα-helixtrans-57.5-39.3171.3-74.2171.7-179.7175.30112.1V588 K596V588-K592 HydrophobicContact CG1-CD 4.1Å; V588-K592 WeakPolarHBondContact O-CB 3.29Å; V588-K592 VanDerWaalsContact O-CG 3.27Å; V588-K592 WeakPolarHBondContact O-CG 3.45Å; V588-K592 PolarHBondContact O-N 3.49Å; K592-K596 VanDerWaalsContact O-CB 3.32Å; K592-K596 WeakPolarHBondContact O-CB 3.22Å; K592-K596 WeakPolarHBondContact O-CG 3.41Å; K592-K596 PolarHBondContact O-N 2.87Å
593R59.2Low60.6Low178 Ų178127.6 Ų127.667%0.67258%0.581SS**Hα-helixtrans-68.8-38.2174.3-83.6176.6166160-3.1113Q589 K590 N591 K597Q589-R593 WeakPolarHBondContact O-CB 3.41Å; Q589-R593 WeakPolarHBondContact O-CG 3.47Å; Q589-R593 PolarHBondContact O-N 2.9Å; K590-R593 PolarHBondContact O-N 2.99Å; N591-R593 VanDerWaalsContact C-N 3.29Å; N591-R593 PolarHBondContact O-N 3.15Å; R593-K597 WeakPolarHBondContact O-CB 3.45Å; R593-K597 WeakPolarHBondContact O-CG 3.3Å; R593-K597 PolarHBondContact O-N 2.84Å
594L63.5Low62.5Low107 Ų107124.7 Ų124.756%0.5656%0.564SS**Hα-helixtrans-64.7-43.9174.2-98.8165.6000111.3K590 N591 K597 R598K590-L594 WeakPolarHBondContact O-CB 3.35Å; K590-L594 PolarHBondContact O-N 3.47Å; N591-L594 PolarHBondContact O-N 2.98Å; N591-L594 VanDerWaalsContact O-N 3.14Å; L594-K597 CarbonylContact O-C 3.54Å; L594-K597 PolarHBondContact O-N 2.82Å; L594-R598 PolarHBondContact O-N 3.41Å
595E68.4Low63.5Low86 Ų86121 Ų12140%0.40254%0.544SS..Hα-helixtrans-70.1-42.8178-158.4-171.6169.800112.1N591 K597 R598 R599N591-E595 PolarHBondContact O-N 2.94Å; E595-K597 VanDerWaalsContact C-N 3.27Å; E595-K597 PolarHBondContact O-N 3.08Å; E595-R598 PolarHBondContact O-N 3.34Å; E595-R599 HydrophobicContact CG-CG 4.42Å; E595-R599 WeakPolarHBondContact O-CG 3.3Å; E595-R599 PolarHBondContact O-N 3.17Å; E595-R599 IonicContact OE1-CZ 3.02Å; E595-R599 IonicContact OE1-NE 2.68Å; E595-R599 PolarHBondContact OE1-NE 3.49Å; E595-R599 IonicContact OE1-NH2 2.66Å; E595-R599 PolarHBondContact OE1-NH2 3.44Å
596K66.2Low64.3Low135 Ų135119.7 Ų119.759%0.58754%0.543SS*.Hα-helixtrans-54.9-43.1169.8-77.9-175.3177.5-170.40110.7K592 L600K592-K596 VanDerWaalsContact O-CB 3.32Å; K592-K596 WeakPolarHBondContact O-CB 3.22Å; K592-K596 WeakPolarHBondContact O-CG 3.41Å; K592-K596 PolarHBondContact O-N 2.87Å; K596-L600 WeakPolarHBondContact O-CB 3.38Å; K596-L600 PolarHBondContact O-N 3.08Å
597K71.4Confident64.7Low156 Ų156121.3 Ų121.368%0.67855%0.55SS**Hα-helixtrans-65.7-38173.4-81.8-175.8175-177.90113.5R593 L594 E595 K601R593-K597 WeakPolarHBondContact O-CB 3.45Å; R593-K597 WeakPolarHBondContact O-CG 3.3Å; R593-K597 PolarHBondContact O-N 2.84Å; L594-K597 CarbonylContact O-C 3.54Å; L594-K597 PolarHBondContact O-N 2.82Å; E595-K597 VanDerWaalsContact C-N 3.27Å; E595-K597 PolarHBondContact O-N 3.08Å; K597-K601 VanDerWaalsContact O-CB 3.31Å; K597-K601 WeakPolarHBondContact O-CB 3.45Å; K597-K601 PolarHBondContact O-N 3.42Å
598R67Low64.9Low155 Ų155123 Ų12359%0.58555%0.552SS**Hα-helixtrans-67.4-50.8178.8-146.1-168.488.2-160.71.7110.8L594 E595 L600 K601 E602L594-R598 PolarHBondContact O-N 3.41Å; E595-R598 PolarHBondContact O-N 3.34Å; R598-L600 VanDerWaalsContact C-N 3.33Å; R598-L600 PolarHBondContact O-N 2.9Å; R598-K601 PolarHBondContact O-N 2.72Å; R598-K601 VanDerWaalsContact O-N 3.15Å; R598-E602 IonicContact CZ-OE1 3.78Å; R598-E602 VanDerWaalsContact CZ-OE1 3.23Å; R598-E602 IonicContact NE-OE1 3.23Å; R598-E602 PolarHBondContact NE-OE1 3.46Å; R598-E602 IonicContact NH2-OE1 3.45Å; R598-E602 PolarHBondContact NH2-OE1 2.93Å; R598-E602 IonicContact NH2-OE2 2.59Å; R598-E602 WeakPolarHBondContact O-CB 3.49Å; R598-E602 VanDerWaalsContact O-CG 3.3Å; R598-E602 WeakPolarHBondContact O-CG 3.25Å; R598-E602 PolarHBondContact O-N 2.69Å
599R67.6Low64.9Low138 Ų138125.3 Ų125.352%0.52156%0.563SS.*Hα-helixtrans-61.7-37.7176.3-65.8-179-175.5-153.63.7112.2E595 R603E595-R599 HydrophobicContact CG-CG 4.42Å; E595-R599 WeakPolarHBondContact O-CG 3.3Å; E595-R599 PolarHBondContact O-N 3.17Å; E595-R599 IonicContact OE1-CZ 3.02Å; E595-R599 IonicContact OE1-NE 2.68Å; E595-R599 PolarHBondContact OE1-NE 3.49Å; E595-R599 IonicContact OE1-NH2 2.66Å; E595-R599 PolarHBondContact OE1-NH2 3.44Å; R599-R603 WeakPolarHBondContact O-CG 3.43Å; R599-R603 PolarHBondContact O-N 3.45Å
600L69Low65Low123 Ų123126.4 Ų126.464%0.64457%0.572SS**Hα-helixtrans-68.4-38.8174.7-170.169.6000111.9K596 R598 F604K596-L600 WeakPolarHBondContact O-CB 3.38Å; K596-L600 PolarHBondContact O-N 3.08Å; R598-L600 VanDerWaalsContact C-N 3.33Å; R598-L600 PolarHBondContact O-N 2.9Å; L600-F604 VanDerWaalsContact O-CB 3.27Å; L600-F604 WeakPolarHBondContact O-CB 3.46Å; L600-F604 PolarHBondContact O-N 3.38Å
601K76.3Confident64.8Low144 Ų144123.8 Ų123.863%0.62658%0.58SS**Hα-helixtrans-67.6-41.7174.2-172.8179.6178.6-172.70111.7K597 R598 F604 N605K597-K601 VanDerWaalsContact O-CB 3.31Å; K597-K601 WeakPolarHBondContact O-CB 3.45Å; K597-K601 PolarHBondContact O-N 3.42Å; R598-K601 PolarHBondContact O-N 2.72Å; R598-K601 VanDerWaalsContact O-N 3.15Å; K601-F604 PolarHBondContact O-N 3.36Å; K601-N605 VanDerWaalsContact O-CB 3.29Å; K601-N605 WeakPolarHBondContact O-CB 3.34Å; K601-N605 PolarHBondContact O-N 2.76Å; K601-N605 PolarHBondContact O-OD1 3.41Å
602E72Confident64.9Low90 Ų90126.9 Ų126.942%0.42160%0.596SS.*Hα-helixtrans-58.7-47.3174.4-73.3162179.500110.9R598 S606R598-E602 IonicContact CZ-OE1 3.78Å; R598-E602 VanDerWaalsContact CZ-OE1 3.23Å; R598-E602 IonicContact NE-OE1 3.23Å; R598-E602 PolarHBondContact NE-OE1 3.46Å; R598-E602 IonicContact NH2-OE1 3.45Å; R598-E602 PolarHBondContact NH2-OE1 2.93Å; R598-E602 IonicContact NH2-OE2 2.59Å; R598-E602 WeakPolarHBondContact O-CB 3.49Å; R598-E602 VanDerWaalsContact O-CG 3.3Å; R598-E602 WeakPolarHBondContact O-CG 3.25Å; R598-E602 PolarHBondContact O-N 2.69Å; E602-S606 PolarHBondContact O-N 3.45Å; E602-S606 PolarHBondContact O-OG 3.36Å
603R67.8Low65.2Low190 Ų190123.5 Ų123.572%0.71759%0.593SS**Hα-helixtrans-61.9-48173.6-74.7-176179.4-1731112.7R599 N605 S606 E607R599-R603 WeakPolarHBondContact O-CG 3.43Å; R599-R603 PolarHBondContact O-N 3.45Å; R603-N605 PolarHBondContact O-N 2.99Å; R603-S606 WeakPolarHBondContact CA-OG 3.19Å; R603-S606 PolarHBondContact O-N 3.15Å; R603-S606 VanDerWaalsContact O-N 3.17Å; R603-S606 PolarHBondContact O-OG 3.46Å; R603-E607 PolarHBondContact O-N 3.16Å
604F70.4Confident66.4Low112 Ų112118.4 Ų118.449%0.49158%0.582SS.*Hα-helixtrans-63-40.8-179.2-175.3-91.4000112.3L600 K601 E607 Y608L600-F604 VanDerWaalsContact O-CB 3.27Å; L600-F604 WeakPolarHBondContact O-CB 3.46Å; L600-F604 PolarHBondContact O-N 3.38Å; K601-F604 PolarHBondContact O-N 3.36Å; F604-E607 PolarHBondContact O-N 2.94Å; F604-Y608 HydrophobicContact CD1-CD2 4.37Å; F604-Y608 HydrophobicContact CD2-CD2 4.19Å; F604-Y608 HydrophobicContact CD2-CE2 4.24Å; F604-Y608 AromaticContact CE1-CD2 3.95Å; F604-Y608 HydrophobicContact CE1-CD2 3.95Å; F604-Y608 HydrophobicContact CE1-CE2 4.34Å; F604-Y608 HydrophobicContact CE1-CG 4.29Å; F604-Y608 AromaticContact CE2-CD2 3.76Å; F604-Y608 HydrophobicContact CE2-CD2 3.76Å; F604-Y608 AromaticContact CE2-CE2 3.49Å; F604-Y608 HydrophobicContact CE2-CE2 3.49Å; F604-Y608 VanDerWaalsContact CE2-CE2 3.49Å; F604-Y608 HydrophobicContact CG-CD2 4.48Å; F604-Y608 AromaticContact CZ-CD2 3.63Å; F604-Y608 HydrophobicContact CZ-CD2 3.63Å; F604-Y608 AromaticContact CZ-CE2 3.55Å; F604-Y608 HydrophobicContact CZ-CE2 3.55Å; F604-Y608 HydrophobicContact CZ-CG 4.25Å; F604-Y608 PolarHBondContact O-N 3.14Å
605N63.5Low67.5Low61 Ų61122 Ų12233%0.32659%0.589SS.*Hα-helixtrans-60.3-48.4171.3-92.777.2000110.9K601 R603 E607 Y608 D609K601-N605 VanDerWaalsContact O-CB 3.29Å; K601-N605 WeakPolarHBondContact O-CB 3.34Å; K601-N605 PolarHBondContact O-N 2.76Å; K601-N605 PolarHBondContact O-OD1 3.41Å; R603-N605 PolarHBondContact O-N 2.99Å; N605-E607 PolarHBondContact O-N 2.88Å; N605-Y608 PolarHBondContact O-N 3.46Å; N605-D609 WeakPolarHBondContact CB-OD2 3.35Å; N605-D609 PolarHBondContact ND2-OD2 3.08Å; N605-D609 WeakPolarHBondContact O-CB 3.01Å; N605-D609 PolarHBondContact O-N 3.12Å
606S68Low68.4Low75 Ų75124.8 Ų124.852%0.52460%0.6SS.*Hα-helixtrans-61.9-25.1177.765.20000114.4E602 R603E602-S606 PolarHBondContact O-N 3.45Å; E602-S606 PolarHBondContact O-OG 3.36Å; R603-S606 WeakPolarHBondContact CA-OG 3.19Å; R603-S606 PolarHBondContact O-N 3.15Å; R603-S606 VanDerWaalsContact O-N 3.17Å; R603-S606 PolarHBondContact O-OG 3.46Å
607E60.3Low69.5Low156 Ų156121.4 Ų121.473%0.72959%0.589SS**Hα-helixtrans-86.8-12.8176.7-165.3172.8-165.300113.3R603 F604 N605R603-E607 PolarHBondContact O-N 3.16Å; F604-E607 PolarHBondContact O-N 2.94Å; N605-E607 PolarHBondContact O-N 2.88Å
608Y59.8Low70.3Confident158 Ų158117.1 Ų117.162%0.6257%0.573SS**Hα-helixtrans-118-28.2-176.3-91.9-92.8000115.2F604 N605 D610 G611F604-Y608 HydrophobicContact CD1-CD2 4.37Å; F604-Y608 HydrophobicContact CD2-CD2 4.19Å; F604-Y608 HydrophobicContact CD2-CE2 4.24Å; F604-Y608 AromaticContact CE1-CD2 3.95Å; F604-Y608 HydrophobicContact CE1-CD2 3.95Å; F604-Y608 HydrophobicContact CE1-CE2 4.34Å; F604-Y608 HydrophobicContact CE1-CG 4.29Å; F604-Y608 AromaticContact CE2-CD2 3.76Å; F604-Y608 HydrophobicContact CE2-CD2 3.76Å; F604-Y608 AromaticContact CE2-CE2 3.49Å; F604-Y608 HydrophobicContact CE2-CE2 3.49Å; F604-Y608 VanDerWaalsContact CE2-CE2 3.49Å; F604-Y608 HydrophobicContact CG-CD2 4.48Å; F604-Y608 AromaticContact CZ-CD2 3.63Å; F604-Y608 HydrophobicContact CZ-CD2 3.63Å; F604-Y608 AromaticContact CZ-CE2 3.55Å; F604-Y608 HydrophobicContact CZ-CE2 3.55Å; F604-Y608 HydrophobicContact CZ-CG 4.25Å; F604-Y608 PolarHBondContact O-N 3.14Å; N605-Y608 PolarHBondContact O-N 3.46Å; Y608-D610 VanDerWaalsContact C-N 3.27Å; Y608-D610 PolarHBondContact O-N 2.79Å; Y608-G611 PolarHBondContact O-N 2.76Å
609D55.5Low71.4Confident117 Ų117113.7 Ų113.763%0.62657%0.566SS**G310 helixtrans-72.8-20178.6-71.6-38.2000112.1N605 G611N605-D609 WeakPolarHBondContact CB-OD2 3.35Å; N605-D609 PolarHBondContact ND2-OD2 3.08Å; N605-D609 WeakPolarHBondContact O-CB 3.01Å; N605-D609 PolarHBondContact O-N 3.12Å; D609-G611 PolarHBondContact O-N 2.79Å; D609-G611 VanDerWaalsContact O-N 3.1Å
610D57.6Low72.5Confident120 Ų120112 Ų11264%0.64256%0.563SS**G310 helixtrans-66.4-3.6171.9-82.8-3.3000114Y608 D612 A613Y608-D610 VanDerWaalsContact C-N 3.27Å; Y608-D610 PolarHBondContact O-N 2.79Å; D610-D612 VanDerWaalsContact C-N 3.27Å; D610-D612 PolarHBondContact O-N 3.03Å; D610-D612 VanDerWaalsContact O-N 3.08Å; D610-A613 PolarHBondContact O-N 2.85Å
611G56.3Low73.5Confident69 Ų69110.9 Ų110.971%0.71155%0.554SS**G310 helixtrans-62.6-17.5-167.500000117.7Y608 D609Y608-G611 PolarHBondContact O-N 2.76Å; D609-G611 PolarHBondContact O-N 2.79Å; D609-G611 VanDerWaalsContact O-N 3.1Å
612D62.8Low74.3Confident163 Ų163110 Ų11087%0.87255%0.552SS**G310 helixtrans-111.7-0.6179-98.5-25.8000113.8D610D610-D612 VanDerWaalsContact C-N 3.27Å; D610-D612 PolarHBondContact O-N 3.03Å; D610-D612 VanDerWaalsContact O-N 3.08Å
613A67.6Low75.1Confident61 Ų61111.9 Ų111.950%0.50456%0.564SS.*  trans-68135.8176.600000111.1D610D610-A613 PolarHBondContact O-N 2.85Å
614T84.3Confident76.2Confident71 Ų71107.5 Ų107.544%0.43655%0.552SS.*  trans-101.3144.2174.691.80000110.3F616 D617 D618T614-F616 CarbonylContact O-C 3.51Å; T614-F616 PolarHBondContact O-N 3.45Å; T614-F616 PolarHBondContact OG1-N 3.07Å; T614-D617 WeakPolarHBondContact O-CA 3.33Å; T614-D617 WeakPolarHBondContact O-CB 3.44Å; T614-D617 PolarHBondContact O-N 2.99Å; T614-D617 PolarHBondContact OG1-OD2 3.37Å; T614-D618 PolarHBondContact O-N 3.02Å; T614-D618 VanDerWaalsContact O-N 3.07Å; T614-D618 VanDerWaalsContact O-OD1 3.04Å
615Y86.5Confident77.3Confident183 Ų183107.1 Ų107.172%0.71855%0.55SS**Hα-helixtrans-49-20.7174-179.6-98.2000115.5D618 L619Y615-D618 VanDerWaalsContact CA-OD2 3.28Å; Y615-D618 WeakPolarHBondContact CA-OD2 3.48Å; Y615-L619 WeakPolarHBondContact O-CB 3.28Å
616F86.3Confident78.6Confident143 Ų143109.1 Ų109.163%0.62756%0.558SS**Hα-helixtrans-78.9-34.9172.8175.6-97000113T614 K620T614-F616 CarbonylContact O-C 3.51Å; T614-F616 PolarHBondContact O-N 3.45Å; T614-F616 PolarHBondContact OG1-N 3.07Å; F616-K620 VanDerWaalsContact O-CB 3.29Å; F616-K620 WeakPolarHBondContact O-CB 3.45Å; F616-K620 PolarHBondContact O-N 3.19Å
617D88.9Confident79.5Confident64 Ų64108.2 Ų108.234%0.34255%0.554SS.*Hα-helixtrans-76.4-40.6177.9-63-68.6000111.1T614 L619 K620 E621T614-D617 WeakPolarHBondContact O-CA 3.33Å; T614-D617 WeakPolarHBondContact O-CB 3.44Å; T614-D617 PolarHBondContact O-N 2.99Å; T614-D617 PolarHBondContact OG1-OD2 3.37Å; D617-L619 PolarHBondContact O-N 3.26Å; D617-K620 CarbonylContact O-C 3.55Å; D617-K620 WeakPolarHBondContact O-CB 3.39Å; D617-K620 PolarHBondContact O-N 3.21Å; D617-K620 VanDerWaalsContact O-N 3.14Å; D617-K620 IonicContact OD1-NZ 3.51Å; D617-E621 WeakPolarHBondContact O-CB 3.3Å; D617-E621 PolarHBondContact O-N 3.04Å
618D88.9Confident81Confident66 Ų66105.6 Ų105.635%0.35354%0.542SS..Hα-helixtrans-53.7-55.3171.9-42.8-16.1000110.5T614 Y615 K620 E621 E622T614-D618 PolarHBondContact O-N 3.02Å; T614-D618 VanDerWaalsContact O-N 3.07Å; T614-D618 VanDerWaalsContact O-OD1 3.04Å; Y615-D618 VanDerWaalsContact CA-OD2 3.28Å; Y615-D618 WeakPolarHBondContact CA-OD2 3.48Å; D618-K620 PolarHBondContact O-N 3.34Å; D618-E621 CarbonylContact O-C 3.6Å; D618-E621 WeakPolarHBondContact O-CA 3.37Å; D618-E621 WeakPolarHBondContact O-CB 3.44Å; D618-E621 PolarHBondContact O-N 3.02Å; D618-E622 PolarHBondContact O-N 2.84Å
619L89.8Confident82.5Confident83 Ų83103.4 Ų103.444%0.43554%0.54SS..Hα-helixtrans-62.5-29.3179.9-170.277.3000112.6Y615 D617 L623Y615-L619 WeakPolarHBondContact O-CB 3.28Å; D617-L619 PolarHBondContact O-N 3.26Å; L619-L623 WeakPolarHBondContact O-CB 3.36Å; L619-L623 PolarHBondContact O-N 2.59Å
620K90.6Very high84.1Confident104 Ų104101.8 Ų101.845%0.45253%0.532SS..Hα-helixtrans-75.1-36.8174.4161.9178.4144.1-82.50111.1F616 D617 D618 Q624F616-K620 VanDerWaalsContact O-CB 3.29Å; F616-K620 WeakPolarHBondContact O-CB 3.45Å; F616-K620 PolarHBondContact O-N 3.19Å; D617-K620 CarbonylContact O-C 3.55Å; D617-K620 WeakPolarHBondContact O-CB 3.39Å; D617-K620 PolarHBondContact O-N 3.21Å; D617-K620 VanDerWaalsContact O-N 3.14Å; D617-K620 IonicContact OD1-NZ 3.51Å; D618-K620 PolarHBondContact O-N 3.34Å; K620-Q624 WeakPolarHBondContact O-CB 3.27Å; K620-Q624 PolarHBondContact O-N 3.24Å
621E90.2Very high85.4Confident99 Ų99105 Ų10546%0.46354%0.535SS..Hα-helixtrans-72.7-41.9177.3-154-149.7178.200111.3D617 D618 L623 Q624 K625D617-E621 WeakPolarHBondContact O-CB 3.3Å; D617-E621 PolarHBondContact O-N 3.04Å; D618-E621 CarbonylContact O-C 3.6Å; D618-E621 WeakPolarHBondContact O-CA 3.37Å; D618-E621 WeakPolarHBondContact O-CB 3.44Å; D618-E621 PolarHBondContact O-N 3.02Å; E621-L623 VanDerWaalsContact C-N 3.31Å; E621-L623 PolarHBondContact O-N 3.45Å; E621-Q624 PolarHBondContact O-N 3.13Å; E621-Q624 VanDerWaalsContact O-N 3.14Å; E621-K625 HydrophobicContact CG-CD 4.36Å; E621-K625 WeakPolarHBondContact O-CB 3.3Å; E621-K625 VanDerWaalsContact O-CG 3.31Å; E621-K625 WeakPolarHBondContact O-CG 3.26Å; E621-K625 PolarHBondContact O-N 3.11Å; E621-K625 WeakPolarHBondContact OE1-CE 3.32Å; E621-K625 IonicContact OE1-NZ 2.7Å; E621-K625 PolarHBondContact OE1-NZ 2.94Å; E621-K625 WeakPolarHBondContact OE2-CE 3.43Å; E621-K625 IonicContact OE2-NZ 2.79Å; E621-K625 PolarHBondContact OE2-NZ 3.13Å
622E92.3Very high87Confident125 Ų125104.8 Ų104.858%0.58453%0.527SS*.Hα-helixtrans-52.8-48.8168.5-73.4-176155.400111.4D618 Q624 K625 Q626D618-E622 PolarHBondContact O-N 2.84Å; E622-Q624 VanDerWaalsContact C-N 3.31Å; E622-Q624 PolarHBondContact O-N 2.95Å; E622-K625 PolarHBondContact O-N 3.34Å; E622-Q626 WeakPolarHBondContact O-CB 3.49Å; E622-Q626 PolarHBondContact O-N 3.05Å
623L89.8Confident88.2Confident129 Ų129100.6 Ų100.668%0.67552%0.515SS*.Hα-helixtrans-65-34.5179-17664.2000112.2L619 E621 A627L619-L623 WeakPolarHBondContact O-CB 3.36Å; L619-L623 PolarHBondContact O-N 2.59Å; E621-L623 VanDerWaalsContact C-N 3.31Å; E621-L623 PolarHBondContact O-N 3.45Å; L623-A627 WeakPolarHBondContact O-CB 3.33Å; L623-A627 PolarHBondContact O-N 3.31Å; L623-A627 VanDerWaalsContact O-N 3.09Å
624Q90.7Very high89Confident99 Ų99100.3 Ų100.346%0.46350%0.502SS..Hα-helixtrans-71.8-47.9175.5-179.1170.6-25.900111.4K620 E621 E622 Q626 A627 E628K620-Q624 WeakPolarHBondContact O-CB 3.27Å; K620-Q624 PolarHBondContact O-N 3.24Å; E621-Q624 PolarHBondContact O-N 3.13Å; E621-Q624 VanDerWaalsContact O-N 3.14Å; E622-Q624 VanDerWaalsContact C-N 3.31Å; E622-Q624 PolarHBondContact O-N 2.95Å; Q624-Q626 VanDerWaalsContact C-N 3.3Å; Q624-Q626 PolarHBondContact O-N 3.18Å; Q624-A627 CarbonylContact O-C 3.51Å; Q624-A627 WeakPolarHBondContact O-CA 3.34Å; Q624-A627 WeakPolarHBondContact O-CB 3.28Å; Q624-A627 PolarHBondContact O-N 3.13Å; Q624-E628 HydrophobicContact CG-CG 4.39Å; Q624-E628 VanDerWaalsContact CG-OE1 3.23Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.38Å; Q624-E628 PolarHBondContact NE2-OE1 2.97Å; Q624-E628 WeakPolarHBondContact O-CG 3.26Å; Q624-E628 PolarHBondContact O-N 3.05Å
625K92.6Very high88.9Confident104 Ų10499.3 Ų99.345%0.45251%0.506SS..Hα-helixtrans-53-46.5173.5-75165.7172.8166.30110.9E621 E622 A627 E628 L629E621-K625 HydrophobicContact CG-CD 4.36Å; E621-K625 WeakPolarHBondContact O-CB 3.3Å; E621-K625 VanDerWaalsContact O-CG 3.31Å; E621-K625 WeakPolarHBondContact O-CG 3.26Å; E621-K625 PolarHBondContact O-N 3.11Å; E621-K625 WeakPolarHBondContact OE1-CE 3.32Å; E621-K625 IonicContact OE1-NZ 2.7Å; E621-K625 PolarHBondContact OE1-NZ 2.94Å; E621-K625 WeakPolarHBondContact OE2-CE 3.43Å; E621-K625 IonicContact OE2-NZ 2.79Å; E621-K625 PolarHBondContact OE2-NZ 3.13Å; E622-K625 PolarHBondContact O-N 3.34Å; K625-A627 PolarHBondContact O-N 2.86Å; K625-E628 PolarHBondContact O-N 3.44Å; K625-L629 WeakPolarHBondContact O-CB 3.36Å; K625-L629 VanDerWaalsContact O-CG 3.3Å; K625-L629 WeakPolarHBondContact O-CG 3.31Å; K625-L629 PolarHBondContact O-N 3.16Å
626Q91.3Very high88.7Confident103 Ų10398.7 Ų98.748%0.48152%0.515SS..Hα-helixtrans-63.8-38.9175-173.964.771.200112.9E622 Q624 N630E622-Q626 WeakPolarHBondContact O-CB 3.49Å; E622-Q626 PolarHBondContact O-N 3.05Å; Q624-Q626 VanDerWaalsContact C-N 3.3Å; Q624-Q626 PolarHBondContact O-N 3.18Å; Q626-N630 PolarHBondContact NE2-OD1 2.99Å; Q626-N630 WeakPolarHBondContact O-CB 3.43Å; Q626-N630 PolarHBondContact O-N 2.96Å; Q626-N630 PolarHBondContact O-ND2 3.3Å; Q626-N630 PolarHBondContact O-OD1 3.03Å
627A88.3Confident88.5Confident55 Ų5594.8 Ų94.846%0.45550%0.5SS..Hα-helixtrans-70.1-32.1177.400000112.9L623 Q624 K625 R631L623-A627 WeakPolarHBondContact O-CB 3.33Å; L623-A627 PolarHBondContact O-N 3.31Å; L623-A627 VanDerWaalsContact O-N 3.09Å; Q624-A627 CarbonylContact O-C 3.51Å; Q624-A627 WeakPolarHBondContact O-CA 3.34Å; Q624-A627 WeakPolarHBondContact O-CB 3.28Å; Q624-A627 PolarHBondContact O-N 3.13Å; K625-A627 PolarHBondContact O-N 2.86Å; A627-R631 PolarHBondContact O-N 3.15Å; A627-R631 VanDerWaalsContact O-N 3.08Å
628E91Very high88.3Confident101 Ų10196 Ų9647%0.47251%0.506SS..Hα-helixtrans-73.2-45.6175.3-73.6169.3-176.400111.2Q624 K625 N630 R631 A632Q624-E628 HydrophobicContact CG-CG 4.39Å; Q624-E628 VanDerWaalsContact CG-OE1 3.23Å; Q624-E628 WeakPolarHBondContact CG-OE1 3.38Å; Q624-E628 PolarHBondContact NE2-OE1 2.97Å; Q624-E628 WeakPolarHBondContact O-CG 3.26Å; Q624-E628 PolarHBondContact O-N 3.05Å; K625-E628 PolarHBondContact O-N 3.44Å; E628-N630 VanDerWaalsContact C-N 3.34Å; E628-N630 PolarHBondContact O-N 3.45Å; E628-R631 PolarHBondContact O-N 3.36Å; E628-A632 WeakPolarHBondContact O-CB 3.41Å; E628-A632 PolarHBondContact O-N 3.42Å
629L91.8Very high87.9Confident112 Ų11296 Ų9659%0.58651%0.506SS*.Hα-helixtrans-55.7-46.7170.1-72.8170.2000111.7K625 R631 A632 A633K625-L629 WeakPolarHBondContact O-CB 3.36Å; K625-L629 VanDerWaalsContact O-CG 3.3Å; K625-L629 WeakPolarHBondContact O-CG 3.31Å; K625-L629 PolarHBondContact O-N 3.16Å; L629-R631 VanDerWaalsContact C-N 3.26Å; L629-R631 PolarHBondContact O-N 3.07Å; L629-A632 PolarHBondContact O-N 2.85Å; L629-A633 WeakPolarHBondContact O-CB 3.29Å; L629-A633 PolarHBondContact O-N 3.08Å
630N88.4Confident87.6Confident83 Ų8398.3 Ų98.344%0.44452%0.515SS..Hα-helixtrans-62.3-31.9176.2-69.8-6.6000112.6Q626 E628 F634Q626-N630 PolarHBondContact NE2-OD1 2.99Å; Q626-N630 WeakPolarHBondContact O-CB 3.43Å; Q626-N630 PolarHBondContact O-N 2.96Å; Q626-N630 PolarHBondContact O-ND2 3.3Å; Q626-N630 PolarHBondContact O-OD1 3.03Å; E628-N630 VanDerWaalsContact C-N 3.34Å; E628-N630 PolarHBondContact O-N 3.45Å; N630-F634 VanDerWaalsContact O-CD2 3.23Å; N630-F634 WeakPolarHBondContact O-CD2 3.49Å
631R85.5Confident87.2Confident187 Ų18793.6 Ų93.671%0.70650%0.495SS*.Hα-helixtrans-74.4-43.5175.3169.6170.6-86.3132.3-3.8111.4A627 E628 L629 F634 G635A627-R631 PolarHBondContact O-N 3.15Å; A627-R631 VanDerWaalsContact O-N 3.08Å; E628-R631 PolarHBondContact O-N 3.36Å; L629-R631 VanDerWaalsContact C-N 3.26Å; L629-R631 PolarHBondContact O-N 3.07Å; R631-F634 PolarHBondContact O-N 3.17Å; R631-G635 PolarHBondContact O-N 3.39Å
632A89.8Confident87Confident66 Ų6690.5 Ų90.555%0.54548%0.479SS..Hα-helixtrans-64.6-45.5-179.300000111.9E628 L629 F634 G635E628-A632 WeakPolarHBondContact O-CB 3.41Å; E628-A632 PolarHBondContact O-N 3.42Å; L629-A632 PolarHBondContact O-N 2.85Å; A632-F634 PolarHBondContact O-N 3.28Å; A632-G635 PolarHBondContact O-N 3Å
633A88.1Confident86.8Confident75 Ų7585.3 Ų85.362%0.6246%0.456SS*.THydrogen-bonded Turntrans-61-14.7-179.500000115.1L629L629-A633 WeakPolarHBondContact O-CB 3.29Å; L629-A633 PolarHBondContact O-N 3.08Å
634F84.3Confident86.6Confident55 Ų5585.9 Ų85.924%0.24146%0.455CS..THydrogen-bonded Turntrans-119.314.8175.2-61.7-56000112.5N630 R631 A632 M637 R642 E646N630-F634 VanDerWaalsContact O-CD2 3.23Å; N630-F634 WeakPolarHBondContact O-CD2 3.49Å; R631-F634 PolarHBondContact O-N 3.17Å; A632-F634 PolarHBondContact O-N 3.28Å; F634-M637 HydrophobicContact CD1-SD 3.8Å; F634-R642 HydrophobicContact CB-CG 4.11Å; F634-R642 VanDerWaalsContact CB-NH1 3.26Å; F634-R642 HydrophobicContact CG-CG 4.45Å; F634-R642 PolarHBondContact O-NH1 3.35Å; F634-E646 HydrophobicContact CE2-CB 4.48Å
635G81.4Confident86.3Confident50 Ų5086.8 Ų86.852%0.51546%0.455SS..THydrogen-bonded Turntrans-68-44.3-175.300000113.2R631 A632 M637R631-G635 PolarHBondContact O-N 3.39Å; A632-G635 PolarHBondContact O-N 3Å; G635-M637 VanDerWaalsContact C-N 3.3Å; G635-M637 PolarHBondContact O-N 3.13Å
636D83.2Confident85.9Confident170 Ų17083.5 Ų83.591%0.90944%0.441SS*.THydrogen-bonded Turntrans-89.911.7-172.6-47.5-55.2000113.6
637M81.8Confident85.8Confident61 Ų6178.9 Ų78.930%0.342%0.422SS..SBendtrans-102.6139.9-173.7-59.3-166.574.200112.3F634 G635 R642 Y645F634-M637 HydrophobicContact CD1-SD 3.8Å; G635-M637 VanDerWaalsContact C-N 3.3Å; G635-M637 PolarHBondContact O-N 3.13Å; M637-R642 HydrophobicContact CB-CB 4.31Å; M637-Y645 HydrophobicContact CE-CD2 3.88Å; M637-Y645 HydrophobicContact CE-CE2 3.69Å
638D84.9Confident86Confident90 Ų9076.7 Ų76.748%0.48140%0.402SS..  trans-61142.9169.659.5-72.7000111.7E640 S641 R642D638-E640 PolarHBondContact O-N 3.15Å; D638-S641 PolarHBondContact O-N 3.24Å; D638-S641 WeakPolarHBondContact OD1-CB 3.39Å; D638-S641 PolarHBondContact OD1-OG 2.63Å; D638-S641 WeakPolarHBondContact OD2-CB 3.48Å; D638-S641 PolarHBondContact OD2-N 3.32Å; D638-S641 PolarHBondContact OD2-OG 2.92Å; D638-R642 WeakPolarHBondContact O-CB 3.39Å; D638-R642 PolarHBondContact O-N 3.35Å
639D80.5Confident85.9Confident66 Ų6674.8 Ų74.835%0.35339%0.39SS..Hα-helixtrans-62.6-29.1-173.3-95.1-4.6000113.3V643 R649D639-V643 WeakPolarHBondContact O-CB 3.23Å; D639-V643 WeakPolarHBondContact O-CG2 3.1Å; D639-V643 PolarHBondContact O-N 3.36Å; D639-R649 IonicContact OD1-CZ 2.63Å; D639-R649 IonicContact OD1-NH1 2.91Å; D639-R649 PolarHBondContact OD1-NH1 3.34Å; D639-R649 IonicContact OD1-NH2 3.18Å; D639-R649 PolarHBondContact OD1-NH2 3.08Å; D639-R649 IonicContact OD2-CZ 2.7Å; D639-R649 IonicContact OD2-NH1 2.66Å; D639-R649 IonicContact OD2-NH2 2.77Å; D639-R649 PolarHBondContact OD2-NH2 3.45Å
640E82.7Confident85.9Confident130 Ų13072.7 Ų72.761%0.60738%0.384SS*.Hα-helixtrans-67.2-53175-67.1-171.8-176.300111.8F182 D638 R642 V643 Q644F182-E640 HydrophobicContact CE1-CG 4.1Å; F182-E640 HydrophobicContact CZ-CG 3.95Å; D638-E640 PolarHBondContact O-N 3.15Å; E640-R642 VanDerWaalsContact C-N 3.26Å; E640-R642 PolarHBondContact O-N 2.98Å; E640-V643 PolarHBondContact O-N 3.22Å; E640-Q644 WeakPolarHBondContact O-CG 3.49Å; E640-Q644 PolarHBondContact O-N 3.32Å
641S82.9Confident86Confident5 Ų571.2 Ų71.24%0.03539%0.388CS..Hα-helixtrans-57-41.9172.6-70.70000111.8R460 D638 Q644 Y645R460-S641 PolarHBondContact NH1-OG 3.48Å; R460-S641 PolarHBondContact NH2-OG 3.13Å; R460-S641 VanDerWaalsContact NH2-OG 3.14Å; D638-S641 PolarHBondContact O-N 3.24Å; D638-S641 WeakPolarHBondContact OD1-CB 3.39Å; D638-S641 PolarHBondContact OD1-OG 2.63Å; D638-S641 WeakPolarHBondContact OD2-CB 3.48Å; D638-S641 PolarHBondContact OD2-N 3.32Å; D638-S641 PolarHBondContact OD2-OG 2.92Å; S641-Q644 WeakPolarHBondContact O-CB 3.5Å; S641-Q644 PolarHBondContact O-N 2.93Å; S641-Y645 WeakPolarHBondContact O-CD2 3.44Å; S641-Y645 PolarHBondContact O-N 3.03Å
642R86.5Confident86.2Confident34 Ų3463.4 Ų63.413%0.12836%0.36CS..Hα-helixtrans-66.9-41.9-176.5-167-177.2153.4124.320.8111.7F634 M637 D638 E640 Q644 Y645 E646 R649F634-R642 HydrophobicContact CB-CG 4.11Å; F634-R642 VanDerWaalsContact CB-NH1 3.26Å; F634-R642 HydrophobicContact CG-CG 4.45Å; F634-R642 PolarHBondContact O-NH1 3.35Å; M637-R642 HydrophobicContact CB-CB 4.31Å; D638-R642 WeakPolarHBondContact O-CB 3.39Å; D638-R642 PolarHBondContact O-N 3.35Å; E640-R642 VanDerWaalsContact C-N 3.26Å; E640-R642 PolarHBondContact O-N 2.98Å; R642-Q644 VanDerWaalsContact C-N 3.28Å; R642-Q644 PolarHBondContact O-N 3.11Å; R642-Y645 PolarHBondContact O-N 3.01Å; R642-Y645 VanDerWaalsContact O-N 3.08Å; R642-E646 WeakPolarHBondContact CG-OE1 3.37Å; R642-E646 IonicContact CZ-OE1 3.56Å; R642-E646 IonicContact CZ-OE2 3.89Å; R642-E646 IonicContact NE-OE1 3.5Å; R642-E646 PolarHBondContact NE-OE1 3.14Å; R642-E646 IonicContact NE-OE2 2.84Å; R642-E646 PolarHBondContact NE-OE2 2.94Å; R642-E646 IonicContact NH2-OE1 3.13Å; R642-E646 PolarHBondContact NH2-OE1 3.15Å; R642-E646 IonicContact NH2-OE2 2.76Å; R642-E646 PolarHBondContact NH2-OE2 2.83Å; R642-E646 PolarHBondContact O-N 2.87Å; R642-R649 VanDerWaalsContact NE-NH1 3.17Å
643V87.4Confident86.4Confident17 Ų1760.9 Ų60.910%0.10334%0.336CS..Hα-helixtrans-62.5-31.3173.2164.40000112.4D639 E640 Y645 G647 F648 M652D639-V643 WeakPolarHBondContact O-CB 3.23Å; D639-V643 WeakPolarHBondContact O-CG2 3.1Å; D639-V643 PolarHBondContact O-N 3.36Å; E640-V643 PolarHBondContact O-N 3.22Å; V643-Y645 VanDerWaalsContact C-N 3.29Å; V643-Y645 PolarHBondContact O-N 2.98Å; V643-G647 CarbonylContact O-C 3.23Å; V643-G647 WeakPolarHBondContact O-CA 3.5Å; V643-G647 PolarHBondContact O-N 2.94Å; V643-F648 HydrophobicContact CG1-CD1 3.84Å; V643-F648 HydrophobicContact CG1-CD2 4.12Å; V643-F648 HydrophobicContact CG1-CE1 3.61Å; V643-F648 HydrophobicContact CG1-CE2 3.87Å; V643-F648 HydrophobicContact CG1-CG 4.07Å; V643-F648 HydrophobicContact CG1-CZ 3.6Å; V643-F648 HydrophobicContact CG2-CD1 4.38Å; V643-M652 HydrophobicContact CG2-CE 4.25Å; V643-M652 HydrophobicContact CG2-SD 4.45Å
644Q84.8Confident86.7Confident141 Ų14157.3 Ų57.366%0.65931%0.306SS*.Hα-helixtrans-66.4-29.6173.7-65.817023.100112.9E640 S641 R642E640-Q644 WeakPolarHBondContact O-CG 3.49Å; E640-Q644 PolarHBondContact O-N 3.32Å; S641-Q644 WeakPolarHBondContact O-CB 3.5Å; S641-Q644 PolarHBondContact O-N 2.93Å; R642-Q644 VanDerWaalsContact C-N 3.28Å; R642-Q644 PolarHBondContact O-N 3.11Å
645Y84.2Confident87.2Confident118 Ų11858.7 Ų58.746%0.46331%0.31SS..Hα-helixtrans-89.4-56.1179.9-75.3-69.9000113.5R460 M637 S641 R642 V643R460-Y645 WeakPolarHBondContact CD-OH 3.48Å; M637-Y645 HydrophobicContact CE-CD2 3.88Å; M637-Y645 HydrophobicContact CE-CE2 3.69Å; S641-Y645 WeakPolarHBondContact O-CD2 3.44Å; S641-Y645 PolarHBondContact O-N 3.03Å; R642-Y645 PolarHBondContact O-N 3.01Å; R642-Y645 VanDerWaalsContact O-N 3.08Å; V643-Y645 VanDerWaalsContact C-N 3.29Å; V643-Y645 PolarHBondContact O-N 2.98Å
646E85.8Confident87.8Confident34 Ų3456.3 Ų56.316%0.15929%0.286CS..Hα-helixtrans-88.1-22-174.784.5-168.6150.900112.8H160 F634 R642 R649H160-E646 WeakPolarHBondContact CB-O 3.49Å; H160-E646 PolarHBondContact CD2-O 2.75Å; F634-E646 HydrophobicContact CE2-CB 4.48Å; R642-E646 WeakPolarHBondContact CG-OE1 3.37Å; R642-E646 IonicContact CZ-OE1 3.56Å; R642-E646 IonicContact CZ-OE2 3.89Å; R642-E646 IonicContact NE-OE1 3.5Å; R642-E646 PolarHBondContact NE-OE1 3.14Å; R642-E646 IonicContact NE-OE2 2.84Å; R642-E646 PolarHBondContact NE-OE2 2.94Å; R642-E646 IonicContact NH2-OE1 3.13Å; R642-E646 PolarHBondContact NH2-OE1 3.15Å; R642-E646 IonicContact NH2-OE2 2.76Å; R642-E646 PolarHBondContact NH2-OE2 2.83Å; R642-E646 PolarHBondContact O-N 2.87Å; E646-R649 HydrophobicContact CG-CG 4.29Å; E646-R649 WeakPolarHBondContact OE1-CD 3.5Å; E646-R649 WeakPolarHBondContact OE1-CG 3.29Å; E646-R649 IonicContact OE1-NE 3.07Å; E646-R649 IonicContact OE1-NH1 3.02Å
647G89.1Confident88.4Confident7 Ų751.5 Ų51.57%0.07226%0.257CS..  trans91.6-176.9-164.600000112.4L161 V643 R649L161-G647 CarbonylContact O-C 3.6Å; L161-G647 VanDerWaalsContact O-CA 3.24Å; L161-G647 WeakPolarHBondContact O-CA 3.05Å; V643-G647 CarbonylContact O-C 3.23Å; V643-G647 WeakPolarHBondContact O-CA 3.5Å; V643-G647 PolarHBondContact O-N 2.94Å; G647-R649 PolarHBondContact O-N 2.82Å
648F90.9Very high89Confident9 Ų948.6 Ų48.64%0.03924%0.243CC..BIsolated β-bridgetrans-69.3131174.2-60.8-91.6000109.7L156 H160 L161 N163 V180 F182 V643 I654L156-F648 HydrophobicContact CD2-CB 3.61Å; L156-F648 WeakPolarHBondContact CD2-O 3.38Å; H160-F648 VanDerWaalsContact CA-O 3.22Å; H160-F648 WeakPolarHBondContact CA-O 3.46Å; H160-F648 WeakPolarHBondContact CB-O 3.49Å; L161-F648 HydrophobicContact CB-CB 4.34Å; L161-F648 PolarHBondContact N-O 2.95Å; L161-F648 VanDerWaalsContact N-O 3.08Å; L161-F648 WeakPolarHBondContact O-CD2 3.37Å; L161-F648 PolarHBondContact O-N 2.91Å; N163-F648 HydrophobicContact CB-CE2 4.35Å; V180-F648 HydrophobicContact CB-CD2 4.22Å; V180-F648 HydrophobicContact CB-CE1 4.2Å; V180-F648 HydrophobicContact CB-CE2 3.53Å; V180-F648 HydrophobicContact CB-CZ 3.53Å; V180-F648 HydrophobicContact CG1-CD1 3.99Å; V180-F648 HydrophobicContact CG1-CD2 3.89Å; V180-F648 HydrophobicContact CG1-CE1 3.69Å; V180-F648 HydrophobicContact CG1-CE2 3.63Å; V180-F648 HydrophobicContact CG1-CG 4.1Å; V180-F648 HydrophobicContact CG1-CZ 3.53Å; V180-F648 HydrophobicContact CG2-CE2 4.21Å; V180-F648 WeakPolarHBondContact O-CZ 3.37Å; F182-F648 HydrophobicContact CB-CD1 4.25Å; F182-F648 HydrophobicContact CB-CE1 4.2Å; F182-F648 HydrophobicContact CD1-CE1 4.21Å; V643-F648 HydrophobicContact CG1-CD1 3.84Å; V643-F648 HydrophobicContact CG1-CD2 4.12Å; V643-F648 HydrophobicContact CG1-CE1 3.61Å; V643-F648 HydrophobicContact CG1-CE2 3.87Å; V643-F648 HydrophobicContact CG1-CG 4.07Å; V643-F648 HydrophobicContact CG1-CZ 3.6Å; V643-F648 HydrophobicContact CG2-CD1 4.38Å; F648-I654 HydrophobicContact CB-CG2 4.49Å; F648-I654 HydrophobicContact CD1-CG2 3.95Å; F648-I654 HydrophobicContact CG-CG2 4.46Å
649R90.1Very high89.2Confident60 Ų6045.5 Ų45.523%0.22623%0.233CC..PPolyproline II helixtrans-78.7145.9-178.4-60.6176.9-66.7-134.91.4111.9D639 R642 E646 G647 G651 M652D639-R649 IonicContact OD1-CZ 2.63Å; D639-R649 IonicContact OD1-NH1 2.91Å; D639-R649 PolarHBondContact OD1-NH1 3.34Å; D639-R649 IonicContact OD1-NH2 3.18Å; D639-R649 PolarHBondContact OD1-NH2 3.08Å; D639-R649 IonicContact OD2-CZ 2.7Å; D639-R649 IonicContact OD2-NH1 2.66Å; D639-R649 IonicContact OD2-NH2 2.77Å; D639-R649 PolarHBondContact OD2-NH2 3.45Å; R642-R649 VanDerWaalsContact NE-NH1 3.17Å; E646-R649 HydrophobicContact CG-CG 4.29Å; E646-R649 WeakPolarHBondContact OE1-CD 3.5Å; E646-R649 WeakPolarHBondContact OE1-CG 3.29Å; E646-R649 IonicContact OE1-NE 3.07Å; E646-R649 IonicContact OE1-NH1 3.02Å; G647-R649 PolarHBondContact O-N 2.82Å; R649-G651 PolarHBondContact O-N 2.9Å; R649-M652 HydrophobicContact CB-CG 4.12Å; R649-M652 HydrophobicContact CB-SD 3.76Å; R649-M652 HydrophobicContact CG-SD 4.15Å; R649-M652 WeakPolarHBondContact O-CB 3.26Å; R649-M652 PolarHBondContact O-N 3.01Å
650P91.3Very high89.7Confident69 Ų6946.5 Ų46.545%0.44825%0.245SC..THydrogen-bonded Turntrans-59.6139.5166.428.6-35.9000110.4L156 G158L156-P650 CarbonylContact O-C 3.59Å; L156-P650 WeakPolarHBondContact O-CA 3.36Å; G158-P650 WeakPolarHBondContact O-CG 3.33Å
651G89.9Confident90.2Very high51 Ų5140.3 Ų40.353%0.52622%0.216SC..THydrogen-bonded Turntrans96-17.7-172.900000114.5L156 R649L156-G651 PolarHBondContact O-N 3.07Å; R649-G651 PolarHBondContact O-N 2.9Å
652M90.9Very high90.7Very high24 Ų2441.4 Ų41.412%0.11822%0.223CC..  trans-73.6138.3173.1-63177.577.600110.6L156 F182 V643 R649 I654L156-M652 PolarHBondContact N-O 3.39Å; F182-M652 HydrophobicContact CB-CE 3.79Å; F182-M652 HydrophobicContact CD2-CE 4.03Å; F182-M652 HydrophobicContact CG-CE 3.88Å; V643-M652 HydrophobicContact CG2-CE 4.25Å; V643-M652 HydrophobicContact CG2-SD 4.45Å; R649-M652 HydrophobicContact CB-CG 4.12Å; R649-M652 HydrophobicContact CB-SD 3.76Å; R649-M652 HydrophobicContact CG-SD 4.15Å; R649-M652 WeakPolarHBondContact O-CB 3.26Å; R649-M652 PolarHBondContact O-N 3.01Å; M652-I654 HydrophobicContact CB-CG2 4.14Å
653Y94.3Very high90.9Very high12 Ų1240.3 Ų40.35%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-80.5123.3167.9-165.2-108.4000108.5Y153 F155 L183 P186 Y206Y153-Y653 WeakPolarHBondContact CB-OH 3.42Å; F155-Y653 HydrophobicContact CD1-CD2 4.07Å; F155-Y653 AromaticContact CD2-CD2 3.7Å; F155-Y653 HydrophobicContact CD2-CD2 3.7Å; F155-Y653 HydrophobicContact CD2-CE2 4.04Å; F155-Y653 HydrophobicContact CE1-CD2 4.01Å; F155-Y653 AromaticContact CE2-CD2 3.62Å; F155-Y653 HydrophobicContact CE2-CD2 3.62Å; F155-Y653 AromaticContact CE2-CE2 3.94Å; F155-Y653 HydrophobicContact CE2-CE2 3.94Å; F155-Y653 AromaticContact CG-CD2 3.93Å; F155-Y653 HydrophobicContact CG-CD2 3.93Å; F155-Y653 AromaticContact CZ-CD2 3.79Å; F155-Y653 HydrophobicContact CZ-CD2 3.79Å; F155-Y653 HydrophobicContact CZ-CE2 4.47Å; L183-Y653 HydrophobicContact CB-CD1 3.99Å; L183-Y653 HydrophobicContact CD1-CD1 4.22Å; L183-Y653 HydrophobicContact CD1-CE1 4.23Å; L183-Y653 PolarHBondContact N-O 2.98Å; P186-Y653 HydrophobicContact CG-CD1 4.36Å; P186-Y653 HydrophobicContact CG-CD2 4.08Å; P186-Y653 HydrophobicContact CG-CE1 4.38Å; P186-Y653 HydrophobicContact CG-CE2 4.08Å; P186-Y653 HydrophobicContact CG-CG 4.25Å; Y206-Y653 HydrophobicContact CE1-CE2 4.29Å; Y206-Y653 PolarHBondContact OH-OH 3.14Å
654I93.8Very high91.1Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-130.9151.1-173.665.2170.8000112L126 Y153 G154 L156 L161 V180 G181 F182 F648 M652 V656L126-I654 HydrophobicContact CD1-CD1 3.75Å; L126-I654 HydrophobicContact CD1-CG1 3.39Å; Y153-I654 WeakPolarHBondContact CA-O 3.34Å; G154-I654 PolarHBondContact N-O 2.88Å; G154-I654 PolarHBondContact O-N 3.47Å; L156-I654 HydrophobicContact CB-CD1 4.01Å; L156-I654 HydrophobicContact CB-CG1 4.37Å; L156-I654 HydrophobicContact CD2-CD1 4.3Å; L161-I654 HydrophobicContact CD2-CD1 3.8Å; V180-I654 HydrophobicContact CG1-CB 4.11Å; V180-I654 HydrophobicContact CG1-CD1 3.98Å; G181-I654 CarbonylContact O-C 3.54Å; G181-I654 WeakPolarHBondContact O-CA 3.48Å; G181-I654 WeakPolarHBondContact O-CB 3.35Å; F182-I654 HydrophobicContact CB-CG2 4.23Å; F648-I654 HydrophobicContact CB-CG2 4.49Å; F648-I654 HydrophobicContact CD1-CG2 3.95Å; F648-I654 HydrophobicContact CG-CG2 4.46Å; M652-I654 HydrophobicContact CB-CG2 4.14Å; I654-V656 HydrophobicContact CD1-CG2 3.73Å; I654-V656 HydrophobicContact CG1-CG2 4.12Å
655R94.6Very high91.4Very high85 Ų8537 Ų3732%0.32120%0.203SC..EExtended strand (participates in β ladder)trans-104.3117.9168.1178.2-172.7-176.8-167.84.7107.8S151 Y153 V180 G181 L183S151-R655 PolarHBondContact OG-NE 3.35Å; S151-R655 PolarHBondContact OG-NH2 2.98Å; S151-R655 VanDerWaalsContact OG-NH2 3.08Å; Y153-R655 HydrophobicContact CD1-CB 3.72Å; Y153-R655 HydrophobicContact CD1-CG 3.9Å; Y153-R655 HydrophobicContact CE1-CB 3.71Å; Y153-R655 HydrophobicContact CE1-CG 3.51Å; Y153-R655 HydrophobicContact CE2-CG 4.46Å; Y153-R655 PolarHBondContact OH-NE 3.19Å; V180-R655 WeakPolarHBondContact CA-O 3.13Å; G181-R655 PolarHBondContact N-O 3.42Å; G181-R655 PolarHBondContact O-N 3.31Å; L183-R655 HydrophobicContact CD1-CB 4.17Å
656V94.6Very high91.7Very high0 Ų031.8 Ų31.80%018%0.184CC..EExtended strand (participates in β ladder)trans-106.7121.7176-176.90000108.6L126 L152 L161 V177 V180 I654 I658 L677L126-V656 HydrophobicContact CD1-CG2 4.14Å; L152-V656 PolarHBondContact N-O 3.04Å; L152-V656 PolarHBondContact O-N 2.82Å; L161-V656 HydrophobicContact CD2-CG2 4.36Å; V177-V656 HydrophobicContact CB-CG1 4.44Å; V177-V656 HydrophobicContact CG1-CG1 3.76Å; V177-V656 HydrophobicContact CG2-CG1 3.86Å; V180-V656 HydrophobicContact CG1-CG2 4.26Å; V180-V656 HydrophobicContact CG2-CG1 4.37Å; V180-V656 HydrophobicContact CG2-CG2 4.34Å; I654-V656 HydrophobicContact CD1-CG2 3.73Å; I654-V656 HydrophobicContact CG1-CG2 4.12Å; V656-I658 HydrophobicContact CG1-CG1 4.16Å; V656-L677 HydrophobicContact CB-CD1 4.32Å; V656-L677 HydrophobicContact CG1-CD1 3.98Å
657E94.7Very high91.9Very high68 Ų6834 Ų3432%0.31820%0.2SC..EExtended strand (participates in β ladder)trans-93.7131.5173.6-166-178.5131.200110.7L134 G178 D179L134-E657 HydrophobicContact CD1-CG 4.18Å; G178-E657 PolarHBondContact N-O 2.7Å; D179-E657 PolarHBondContact O-N 3.46Å
658I94.3Very high91.9Very high0 Ų035.1 Ų35.10%020%0.204CC..EExtended strand (participates in β ladder)trans-127.5118.7176-56179.3000108.9T149 V150 L152 V167 I169 F175 V656 L661 L677T149-I658 WeakPolarHBondContact CA-O 3.3Å; V150-I658 PolarHBondContact N-O 3.18Å; V150-I658 PolarHBondContact O-N 2.82Å; L152-I658 HydrophobicContact CD1-CD1 3.83Å; V167-I658 HydrophobicContact CG2-CD1 4.08Å; I169-I658 HydrophobicContact CD1-CD1 3.92Å; F175-I658 HydrophobicContact CB-CG2 3.76Å; F175-I658 HydrophobicContact CD1-CG2 4.28Å; F175-I658 HydrophobicContact CG-CG2 4.04Å; V656-I658 HydrophobicContact CG1-CG1 4.16Å; I658-L661 HydrophobicContact CB-CD1 3.83Å; I658-L661 HydrophobicContact CB-CG 4.44Å; I658-L661 HydrophobicContact CG2-CD1 3.82Å; I658-L661 HydrophobicContact CG2-CD2 4.49Å; I658-L661 HydrophobicContact CG2-CG 3.88Å; I658-L677 HydrophobicContact CD1-CD1 3.9Å
659G90.7Very high91.8Very high26 Ų2636.8 Ų36.827%0.26821%0.212SC..EExtended strand (participates in β ladder)trans-86.4162.3171.300000112.8L661G659-L661 PolarHBondContact O-N 3.07Å
660S90.5Very high91.7Very high86 Ų8635.6 Ų35.660%0.60121%0.21SC*.EExtended strand (participates in β ladder)trans59.339.5176.8-520000114.7R148 F175R148-S660 PolarHBondContact O-N 2.97Å; F175-S660 WeakPolarHBondContact CE1-O 3.38Å
661L92.6Very high91.4Very high0 Ų034.9 Ų34.90%021%0.21CC..EExtended strand (participates in β ladder)trans-81.2135.3171.6-86.3161.4000111.3D147 R148 V150 I169 V172 F175 I658 G659 C663 F665D147-L661 CarbonylContact C-O 3.56Å; D147-L661 WeakPolarHBondContact CA-O 3.16Å; R148-L661 PolarHBondContact N-O 2.98Å; R148-L661 PolarHBondContact O-N 3.04Å; V150-L661 HydrophobicContact CB-CD1 3.58Å; V150-L661 HydrophobicContact CG1-CD1 4.43Å; V150-L661 HydrophobicContact CG2-CB 4.27Å; V150-L661 HydrophobicContact CG2-CD1 3.62Å; I169-L661 HydrophobicContact CD1-CD2 4.21Å; V172-L661 HydrophobicContact CG1-CD2 3.95Å; F175-L661 HydrophobicContact CD1-CD2 4.24Å; F175-L661 HydrophobicContact CD2-CD2 4.09Å; F175-L661 HydrophobicContact CE1-CD2 3.85Å; F175-L661 HydrophobicContact CE1-CG 4.36Å; F175-L661 HydrophobicContact CE2-CD2 3.68Å; F175-L661 HydrophobicContact CG-CD2 4.37Å; F175-L661 HydrophobicContact CZ-CD2 3.57Å; I658-L661 HydrophobicContact CB-CD1 3.83Å; I658-L661 HydrophobicContact CB-CG 4.44Å; I658-L661 HydrophobicContact CG2-CD1 3.82Å; I658-L661 HydrophobicContact CG2-CD2 4.49Å; I658-L661 HydrophobicContact CG2-CG 3.88Å; G659-L661 PolarHBondContact O-N 3.07Å; L661-C663 PolarHBondContact O-N 3.38Å; L661-F665 HydrophobicContact CD2-CD1 4.21Å
662P93.4Very high91.1Very high29 Ų2938.7 Ų38.719%0.18821%0.214CC..  trans-58.2136.5-179.4-25.333.9000112.7E664 F665 L885P662-E664 PolarHBondContact O-N 3.26Å; P662-E664 VanDerWaalsContact O-N 3.08Å; P662-F665 WeakPolarHBondContact O-CB 3.14Å; P662-F665 PolarHBondContact O-N 2.85Å; P662-L885 HydrophobicContact CB-CD1 4.44Å; P662-L885 HydrophobicContact CB-CD2 4.05Å; P662-L885 HydrophobicContact CG-CD1 4.41Å; P662-L885 HydrophobicContact CG-CD2 4.37Å
663C90.9Very high91Very high10 Ų1039 Ų397%0.06821%0.214CC..Hα-helixtrans-55-33.8-176.667.50000112.9C146 L661 F665 V666 T667C146-C663 WeakPolarHBondContact O-CB 3.24Å; L661-C663 PolarHBondContact O-N 3.38Å; C663-F665 PolarHBondContact O-N 3.07Å; C663-V666 PolarHBondContact O-N 3.49Å; C663-V666 VanDerWaalsContact O-N 3.14Å; C663-T667 PolarHBondContact O-N 3.07Å
664E91.5Very high90.8Very high83 Ų8339.6 Ų39.639%0.38822%0.219SC..Hα-helixtrans-61.8-24.7-180-63.990.2162.600113.3P662 T667 N668 L885P662-E664 PolarHBondContact O-N 3.26Å; P662-E664 VanDerWaalsContact O-N 3.08Å; E664-T667 WeakPolarHBondContact CA-OG1 3.3Å; E664-N668 WeakPolarHBondContact O-CB 3.44Å; E664-N668 VanDerWaalsContact O-CG 3.24Å; E664-N668 PolarHBondContact O-N 2.96Å; E664-N668 PolarHBondContact O-ND2 3.03Å; E664-L885 HydrophobicContact CB-CB 4.34Å; E664-L885 HydrophobicContact CB-CD2 4.34Å
665F92.1Very high90.8Very high5 Ų539.9 Ų39.92%0.02222%0.221CC..Hα-helixtrans-66.9-41.7176-178.5-126.3000111.8V172 L661 P662 C663 F669 I675 L884 L885V172-F665 HydrophobicContact CG1-CG 4.43Å; V172-F665 HydrophobicContact CG2-CD2 3.43Å; V172-F665 VanDerWaalsContact CG2-CD2 3.43Å; V172-F665 HydrophobicContact CG2-CE2 3.52Å; V172-F665 HydrophobicContact CG2-CG 4.06Å; V172-F665 HydrophobicContact CG2-CZ 4.2Å; L661-F665 HydrophobicContact CD2-CD1 4.21Å; P662-F665 WeakPolarHBondContact O-CB 3.14Å; P662-F665 PolarHBondContact O-N 2.85Å; C663-F665 PolarHBondContact O-N 3.07Å; F665-F669 PolarHBondContact O-N 3.37Å; F665-I675 HydrophobicContact CE2-CD1 4.18Å; F665-I675 HydrophobicContact CE2-CG1 4.28Å; F665-I675 HydrophobicContact CZ-CD1 3.62Å; F665-I675 HydrophobicContact CZ-CG1 4.01Å; F665-I675 HydrophobicContact CZ-CG2 4.2Å; F665-L884 HydrophobicContact CD2-CB 4.42Å; F665-L884 HydrophobicContact CE2-CB 4.46Å; F665-L884 HydrophobicContact CE2-CD1 4.35Å; F665-L885 HydrophobicContact CB-CD2 3.75Å
666V90.1Very high90.7Very high10 Ų1036 Ų366%0.06121%0.206CC..Hα-helixtrans-81.3-38.4-178.5-176.10000111.1D133 R148 V150 K219 C663D133-V666 HydrophobicContact CB-CG1 4.06Å; R148-V666 HydrophobicContact CB-CG2 4.11Å; R148-V666 HydrophobicContact CG-CG2 4.01Å; V150-V666 HydrophobicContact CG2-CG2 3.82Å; K219-V666 PolarHBondContact NZ-O 2.94Å; C663-V666 PolarHBondContact O-N 3.49Å; C663-V666 VanDerWaalsContact O-N 3.14Å
667T89.1Confident90.7Very high80 Ų8036 Ų3649%0.49121%0.207SC..Hα-helixtrans-68.1-40.7176.265.90000111.9C663 E664 F669C663-T667 PolarHBondContact O-N 3.07Å; E664-T667 WeakPolarHBondContact CA-OG1 3.3Å; T667-F669 VanDerWaalsContact C-N 3.35Å
668N90.3Very high90.8Very high30 Ų3032.8 Ų32.816%0.1619%0.191CC..THydrogen-bonded Turntrans-97.818.4-175.8-49.8-27.1000112.3E664 L885 L886 K891E664-N668 WeakPolarHBondContact O-CB 3.44Å; E664-N668 VanDerWaalsContact O-CG 3.24Å; E664-N668 PolarHBondContact O-N 2.96Å; E664-N668 PolarHBondContact O-ND2 3.03Å; N668-L885 PolarHBondContact ND2-O 2.84Å; N668-L886 WeakPolarHBondContact CB-O 3.43Å; N668-K891 VanDerWaalsContact O-CE 3.26Å; N668-K891 WeakPolarHBondContact O-CE 3.41Å; N668-K891 PolarHBondContact O-NZ 3.08Å
669F89.1Confident90.7Very high44 Ų4433 Ų3319%0.19319%0.193CC..  trans-57.5147175.3179.7-112.2000111.6M131 M209 F665 T667 A671 I675M131-F669 HydrophobicContact CE-CB 3.75Å; M131-F669 HydrophobicContact CE-CD1 3.6Å; M131-F669 HydrophobicContact CE-CD2 3.58Å; M131-F669 HydrophobicContact CE-CE1 4.16Å; M131-F669 HydrophobicContact CE-CE2 4.18Å; M131-F669 HydrophobicContact CE-CG 3.29Å; M131-F669 HydrophobicContact CE-CZ 4.44Å; M209-F669 HydrophobicContact CE-CE1 4.08Å; M209-F669 HydrophobicContact CE-CZ 3.62Å; M209-F669 HydrophobicContact SD-CE1 4.12Å; M209-F669 HydrophobicContact SD-CZ 3.63Å; F665-F669 PolarHBondContact O-N 3.37Å; T667-F669 VanDerWaalsContact C-N 3.35Å; F669-A671 HydrophobicContact CE1-CB 4.42Å; F669-A671 HydrophobicContact CZ-CB 4.3Å; F669-I675 HydrophobicContact CD2-CD1 3.99Å; F669-I675 HydrophobicContact CE2-CD1 3.52Å; F669-I675 HydrophobicContact CE2-CG1 4.34Å
670D86.8Confident90.9Very high35 Ų3532.8 Ų32.819%0.18719%0.186CC..  trans-156.9116.5-177.8177.7-0.8000108.4H672 Y673 K891D670-H672 PolarHBondContact O-N 2.87Å; D670-H672 VanDerWaalsContact O-N 3.14Å; D670-H672 IonicContact OD1-CE1 3.19Å; D670-H672 IonicContact OD1-CG 3.66Å; D670-H672 PolarHBondContact OD1-N 3.2Å; D670-H672 VanDerWaalsContact OD1-N 3.12Å; D670-H672 IonicContact OD1-ND1 2.72Å; D670-H672 PolarHBondContact OD1-ND1 3.34Å; D670-Y673 HydrophobicContact CB-CD2 4.09Å; D670-Y673 PolarHBondContact O-N 3.47Å; D670-Y673 VanDerWaalsContact O-N 3.07Å; D670-Y673 VanDerWaalsContact OD2-CD2 3.27Å; D670-Y673 WeakPolarHBondContact OD2-CD2 3.17Å; D670-Y673 VanDerWaalsContact OD2-CE2 3.26Å; D670-Y673 WeakPolarHBondContact OD2-CE2 3.31Å; D670-K891 VanDerWaalsContact CB-NZ 3.31Å
671A84.7Confident90.7Very high55 Ų5529.9 Ų29.946%0.45517%0.17SC..THydrogen-bonded Turntrans-63.2-17.9-175.700000114M209 F669 Y673M209-A671 HydrophobicContact CB-CB 4.2Å; M209-A671 HydrophobicContact SD-CB 3.99Å; F669-A671 HydrophobicContact CE1-CB 4.42Å; F669-A671 HydrophobicContact CZ-CB 4.3Å; A671-Y673 PolarHBondContact O-N 3.07Å
672H85.2Confident90.5Very high131 Ų13135.7 Ų35.761%0.60621%0.211SC*.THydrogen-bonded Turntrans-70.7-18.1174.8-56.688000112.9N4 D670N4-H672 PolarHBondContact ND2-O 2.98Å; N4-H672 PolarHBondContact OD1-O 3.41Å; D670-H672 PolarHBondContact O-N 2.87Å; D670-H672 VanDerWaalsContact O-N 3.14Å; D670-H672 IonicContact OD1-CE1 3.19Å; D670-H672 IonicContact OD1-CG 3.66Å; D670-H672 PolarHBondContact OD1-N 3.2Å; D670-H672 VanDerWaalsContact OD1-N 3.12Å; D670-H672 IonicContact OD1-ND1 2.72Å; D670-H672 PolarHBondContact OD1-ND1 3.34Å
673Y88.8Confident90.1Very high29 Ų2937.4 Ų37.411%0.11422%0.223CC..SBendtrans-100113.4178.9-73.2-99.3000110.2N4 D670 A671 I675 L884 K891 D892N4-Y673 WeakPolarHBondContact ND2-CE2 3.47Å; D670-Y673 HydrophobicContact CB-CD2 4.09Å; D670-Y673 PolarHBondContact O-N 3.47Å; D670-Y673 VanDerWaalsContact O-N 3.07Å; D670-Y673 VanDerWaalsContact OD2-CD2 3.27Å; D670-Y673 WeakPolarHBondContact OD2-CD2 3.17Å; D670-Y673 VanDerWaalsContact OD2-CE2 3.26Å; D670-Y673 WeakPolarHBondContact OD2-CE2 3.31Å; A671-Y673 PolarHBondContact O-N 3.07Å; Y673-I675 PolarHBondContact O-N 2.85Å; Y673-L884 HydrophobicContact CD1-CD2 4.04Å; Y673-L884 HydrophobicContact CG-CD2 4.19Å; Y673-K891 HydrophobicContact CD1-CD 4.21Å; Y673-K891 HydrophobicContact CD2-CD 3.95Å; Y673-K891 HydrophobicContact CE1-CB 4.02Å; Y673-K891 HydrophobicContact CE1-CD 4.14Å; Y673-K891 HydrophobicContact CE2-CD 3.89Å; Y673-K891 HydrophobicContact CG-CD 4.11Å; Y673-D892 PolarHBondContact OH-OD1 3.04Å
674P90.3Very high90Very high25 Ų2537 Ų3716%0.16222%0.22CC..  trans-66.7124.6-177.827.6-34.9000110.7M1 L13M1-P674 HydrophobicContact SD-CB 3.97Å; L13-P674 HydrophobicContact CD1-CG 4.05Å; L13-P674 HydrophobicContact CD2-CB 4.17Å; L13-P674 HydrophobicContact CD2-CG 3.87Å; L13-P674 HydrophobicContact CG-CG 3.89Å
675I91.9Very high89.7Confident6 Ų634.7 Ų34.73%0.03122%0.218CC..  trans-85.1124.4169.9-56.6161.3000107.9V128 I169 F665 F669 Y673V128-I675 HydrophobicContact CB-CB 3.94Å; V128-I675 HydrophobicContact CB-CG2 4.25Å; V128-I675 HydrophobicContact CG2-CB 3.87Å; V128-I675 HydrophobicContact CG2-CG2 3.6Å; V128-I675 PolarHBondContact N-O 2.88Å; I169-I675 HydrophobicContact CG2-CG2 3.96Å; F665-I675 HydrophobicContact CE2-CD1 4.18Å; F665-I675 HydrophobicContact CE2-CG1 4.28Å; F665-I675 HydrophobicContact CZ-CD1 3.62Å; F665-I675 HydrophobicContact CZ-CG1 4.01Å; F665-I675 HydrophobicContact CZ-CG2 4.2Å; F669-I675 HydrophobicContact CD2-CD1 3.99Å; F669-I675 HydrophobicContact CE2-CD1 3.52Å; F669-I675 HydrophobicContact CE2-CG1 4.34Å; Y673-I675 PolarHBondContact O-N 2.85Å
676I94.2Very high89.6Confident3 Ų338.9 Ų38.92%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-116.2138.3174.1-70.4156.3000107.4D12 V16 L127 P170 W716D12-I676 HydrophobicContact CB-CD1 3.78Å; V16-I676 HydrophobicContact CB-CD1 4.21Å; V16-I676 HydrophobicContact CG2-CD1 3.7Å; V16-I676 HydrophobicContact CG2-CG1 4.05Å; V16-I676 HydrophobicContact CG2-CG2 3.82Å; L127-I676 HydrophobicContact CD1-CG1 4.01Å; P170-I676 WeakPolarHBondContact CD-O 3.43Å; I676-W716 HydrophobicContact CG2-CZ3 4.34Å
677L94.7Very high89.6Confident2 Ų242.1 Ų42.11%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-117.2108.2175.5179163.1000107.3Y125 L126 L152 V167 V656 I658Y125-L677 CarbonylContact C-O 3.48Å; Y125-L677 VanDerWaalsContact CA-O 3.24Å; Y125-L677 WeakPolarHBondContact CA-O 3.11Å; L126-L677 HydrophobicContact CB-CB 4.34Å; L126-L677 HydrophobicContact CB-CD2 4.43Å; L126-L677 HydrophobicContact CD2-CB 4.42Å; L126-L677 PolarHBondContact N-O 3.39Å; L126-L677 PolarHBondContact O-N 3.35Å; L152-L677 HydrophobicContact CD1-CD1 4.07Å; V167-L677 HydrophobicContact CB-CD2 3.93Å; V167-L677 HydrophobicContact CB-CG 4.09Å; V167-L677 HydrophobicContact CG1-CD2 3.6Å; V167-L677 HydrophobicContact CG1-CG 4.25Å; V167-L677 HydrophobicContact CG2-CG 4.46Å; V656-L677 HydrophobicContact CB-CD1 4.32Å; V656-L677 HydrophobicContact CG1-CD1 3.98Å; I658-L677 HydrophobicContact CD1-CD1 3.9Å
678G94.9Very high89.8Confident0 Ų038.7 Ų38.70%024%0.238CC..EExtended strand (participates in β ladder)trans-102.4120.1179.400000111.2V167 H168V167-G678 CarbonylContact C-O 3.6Å; V167-G678 WeakPolarHBondContact CA-O 3.23Å; H168-G678 PolarHBondContact N-O 2.87Å; H168-G678 PolarHBondContact O-N 3.02Å
679G93.8Very high89.9Confident4 Ų439.2 Ų39.24%0.04124%0.238CC..EExtended strand (participates in β ladder)trans-66139.3172.500000111.6P124 W716P124-G679 PolarHBondContact O-N 3.38Å; G679-W716 PolarHBondContact O-NE1 2.94Å; G679-W716 VanDerWaalsContact O-NE1 3.14Å
680L93.3Very high90.1Very high21 Ų2137.1 Ų37.111%0.1123%0.229CC..PPolyproline II helixtrans-99.9134.9-178.8-66.3169.7000110.3Q166 H168 E684Q166-L680 HydrophobicContact CB-CB 4.18Å; Q166-L680 HydrophobicContact CB-CD1 4.2Å; Q166-L680 PolarHBondContact O-N 3.45Å; H168-L680 HydrophobicContact CB-CD1 4.2Å; H168-L680 HydrophobicContact CB-CD2 4.11Å; H168-L680 HydrophobicContact CB-CG 4.22Å; L680-E684 HydrophobicContact CB-CB 4.48Å; L680-E684 HydrophobicContact CD2-CB 4.35Å
681G88Confident90.4Very high26 Ų2636.7 Ų36.727%0.26823%0.226SC..PPolyproline II helixtrans-67.3153.517000000111.7S683 E684G681-S683 PolarHBondContact O-N 3.42Å; G681-E684 WeakPolarHBondContact O-CA 3.4Å; G681-E684 WeakPolarHBondContact O-CB 3.11Å; G681-E684 PolarHBondContact O-N 3.47Å
682S87.1Confident90.8Very high122 Ų12234 Ų3485%0.85320%0.204SC*.THydrogen-bonded Turntrans-60-23.8-176.5-41.60000114.3
683S86.4Confident91.3Very high64 Ų6433.5 Ų33.545%0.44820%0.197SC..THydrogen-bonded Turntrans-76.2-28.617150.50000112.8G681 G685 N686G681-S683 PolarHBondContact O-N 3.42Å; S683-G685 PolarHBondContact O-N 2.88Å; S683-N686 WeakPolarHBondContact O-CB 3.47Å; S683-N686 PolarHBondContact O-N 3.29Å; S683-N686 PolarHBondContact O-ND2 2.9Å
684E88.7Confident91.7Very high2 Ų232.1 Ų32.11%0.00919%0.191CC..THydrogen-bonded Turntrans-80-13.1-170.4-52.6-155.5134.100115H123 L680 G681 N686 R717 I754 T755 P756H123-E684 IonicContact NE2-OE1 2.94Å; H123-E684 IonicContact NE2-OE2 3.4Å; L680-E684 HydrophobicContact CB-CB 4.48Å; L680-E684 HydrophobicContact CD2-CB 4.35Å; G681-E684 WeakPolarHBondContact O-CA 3.4Å; G681-E684 WeakPolarHBondContact O-CB 3.11Å; G681-E684 PolarHBondContact O-N 3.47Å; E684-N686 PolarHBondContact O-N 2.88Å; E684-R717 VanDerWaalsContact O-CZ 3.26Å; E684-R717 PolarHBondContact O-NH1 3.38Å; E684-R717 PolarHBondContact O-NH2 2.9Å; E684-I754 VanDerWaalsContact CA-O 3.22Å; E684-I754 WeakPolarHBondContact CA-O 3.32Å; E684-T755 HydrophobicContact CG-CG2 4.32Å; E684-T755 WeakPolarHBondContact OE1-CA 3.35Å; E684-T755 WeakPolarHBondContact OE1-CB 3.22Å; E684-T755 WeakPolarHBondContact OE1-CG2 3.47Å; E684-P756 WeakPolarHBondContact OE1-CD 3.48Å
685G84.8Confident91.9Very high34 Ų3434.3 Ų34.335%0.35120%0.198SC..THydrogen-bonded Turntrans-65.5-17.5166.700000113.5S683S683-G685 PolarHBondContact O-N 2.88Å
686N89.9Confident92.1Very high93 Ų9334.9 Ų34.950%0.49720%0.201SC..  trans-93.8140-172.5-65.5-73.9000113.5S683 E684 P753 I754S683-N686 WeakPolarHBondContact O-CB 3.47Å; S683-N686 PolarHBondContact O-N 3.29Å; S683-N686 PolarHBondContact O-ND2 2.9Å; E684-N686 PolarHBondContact O-N 2.88Å; N686-P753 WeakPolarHBondContact O-CA 3.48Å; N686-I754 HydrophobicContact CB-CD1 4.04Å; N686-I754 PolarHBondContact O-N 3.11Å
687L90.6Very high92.1Very high79 Ų7935.2 Ų35.241%0.41420%0.202SC..EExtended strand (participates in β ladder)trans-90.7139169.7-62.5176000111.1W751 G752 P753 Y878L687-W751 HydrophobicContact CB-CH2 4.48Å; L687-W751 HydrophobicContact CB-CZ2 3.8Å; L687-G752 WeakPolarHBondContact CA-O 3.17Å; L687-P753 HydrophobicContact CD2-CB 4.38Å; L687-Y878 HydrophobicContact CD2-CD1 4.42Å; L687-Y878 HydrophobicContact CD2-CD2 4.28Å; L687-Y878 HydrophobicContact CD2-CE2 4.44Å; L687-Y878 HydrophobicContact CD2-CG 4.27Å
688G92.1Very high92Very high7 Ų740.8 Ų40.87%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-156-169.8-179.900000113.7W751 G752G688-W751 VanDerWaalsContact C-CE3 3.47Å; G688-W751 WeakPolarHBondContact O-CA 3.46Å; G688-W751 VanDerWaalsContact O-CE3 3.25Å; G688-G752 PolarHBondContact N-O 3.35Å; G688-G752 PolarHBondContact O-N 3.2Å; G688-G752 VanDerWaalsContact O-N 3.08Å
689Y92.6Very high91.8Very high41 Ų4145 Ų4516%0.16124%0.239CC..EExtended strand (participates in β ladder)trans-95115.1171.7-63.4-74.1000110.5I750 W751 D786 K787 V874 Q876Y689-I750 WeakPolarHBondContact CA-O 3.39Å; Y689-W751 AromaticContact CD1-CE3 3.71Å; Y689-W751 HydrophobicContact CD1-CE3 3.71Å; Y689-W751 HydrophobicContact CD1-CZ3 4.39Å; Y689-W751 HydrophobicContact CD2-CE3 4.13Å; Y689-W751 AromaticContact CD2-CZ3 3.98Å; Y689-W751 HydrophobicContact CD2-CZ3 3.98Å; Y689-W751 HydrophobicContact CE1-CD2 4.46Å; Y689-W751 AromaticContact CE1-CE3 3.55Å; Y689-W751 HydrophobicContact CE1-CE3 3.55Å; Y689-W751 HydrophobicContact CE1-CZ3 4.18Å; Y689-W751 HydrophobicContact CE2-CE3 4.02Å; Y689-W751 AromaticContact CE2-CZ3 3.8Å; Y689-W751 HydrophobicContact CE2-CZ3 3.8Å; Y689-W751 AromaticContact CG-CE3 4Å; Y689-W751 HydrophobicContact CG-CE3 4Å; Y689-W751 HydrophobicContact CG-CZ3 4.29Å; Y689-W751 AromaticContact CZ-CE3 3.73Å; Y689-W751 AromaticContact CZ-CZ3 3.9Å; Y689-D786 WeakPolarHBondContact CB-O 3.35Å; Y689-D786 PolarHBondContact N-O 2.9Å; Y689-D786 VanDerWaalsContact N-O 3.15Å; Y689-D786 PolarHBondContact O-N 2.98Å; Y689-K787 WeakPolarHBondContact CD2-O 3.46Å; Y689-V874 HydrophobicContact CD1-CB 3.99Å; Y689-V874 HydrophobicContact CD1-CG1 4.13Å; Y689-V874 HydrophobicContact CD1-CG2 4.41Å; Y689-V874 HydrophobicContact CE1-CB 3.8Å; Y689-V874 HydrophobicContact CE1-CG1 4.16Å; Y689-Q876 HydrophobicContact CE1-CG 4.47Å; Y689-Q876 PolarHBondContact OH-NE2 3.39Å
690L92.5Very high91.8Very high0 Ų045.8 Ų45.80%024%0.241CC..EExtended strand (participates in β ladder)trans-88.8125.5176.7-62.5164.7000109.5L714 S749 I750 P753 L785L690-L714 HydrophobicContact CD1-CD1 3.95Å; L690-L714 HydrophobicContact CD1-CD2 4.49Å; L690-S749 WeakPolarHBondContact O-CA 3.35Å; L690-I750 HydrophobicContact CB-CD1 4.37Å; L690-I750 HydrophobicContact CB-CG1 3.84Å; L690-I750 HydrophobicContact CD1-CD1 3.62Å; L690-I750 HydrophobicContact CD1-CG1 3.92Å; L690-I750 HydrophobicContact CG-CG1 4.41Å; L690-I750 PolarHBondContact N-O 2.94Å; L690-I750 PolarHBondContact O-N 3.48Å; L690-P753 WeakPolarHBondContact CD1-O 3.32Å; L690-L785 HydrophobicContact CD2-CD2 3.52Å
691Q93.8Very high91.6Very high26 Ų2652 Ų5212%0.12127%0.269CS..EExtended strand (participates in β ladder)trans-95.7125165.2-176.6155.7-8200109.8H734 L783 D784Q691-H734 PolarHBondContact OE1-CE1 2.65Å; Q691-H734 PolarHBondContact OE1-ND1 3.2Å; Q691-H734 VanDerWaalsContact OE1-ND1 3.16Å; Q691-L783 WeakPolarHBondContact O-CB 3.49Å; Q691-L783 PolarHBondContact O-N 3.16Å; Q691-D784 HydrophobicContact CB-CB 4.23Å; Q691-D784 PolarHBondContact N-O 2.79Å; Q691-D784 PolarHBondContact O-N 2.9Å
692M94.4Very high91.8Very high0 Ų058.1 Ų58.10%028%0.284CS..EExtended strand (participates in β ladder)trans-136.9148.3-169.648.6161.355.900112.7L694 F712 L714 G747 A748 I750 F761M692-L694 HydrophobicContact SD-CD1 4.44Å; M692-F712 HydrophobicContact CE-CD1 3.94Å; M692-F712 HydrophobicContact CE-CE1 3.66Å; M692-F712 HydrophobicContact SD-CE1 3.65Å; M692-F712 HydrophobicContact SD-CZ 4.26Å; M692-L714 HydrophobicContact CE-CD1 4.31Å; M692-G747 CarbonylContact O-C 3.58Å; M692-G747 WeakPolarHBondContact O-CA 3.42Å; M692-A748 HydrophobicContact CG-CB 3.87Å; M692-A748 WeakPolarHBondContact CG-O 3.45Å; M692-A748 PolarHBondContact N-O 2.83Å; M692-A748 PolarHBondContact O-N 3Å; M692-A748 HydrophobicContact SD-CB 3.98Å; M692-I750 HydrophobicContact CE-CD1 3.47Å; M692-I750 VanDerWaalsContact CE-CD1 3.47Å; M692-I750 HydrophobicContact CE-CG1 3.9Å; M692-I750 HydrophobicContact SD-CD1 4.47Å; M692-I750 HydrophobicContact SD-CG1 4.48Å; M692-F761 HydrophobicContact CB-CE1 3.67Å; M692-F761 HydrophobicContact CB-CZ 4.08Å; M692-F761 HydrophobicContact CE-CD1 4.09Å; M692-F761 HydrophobicContact CE-CD2 4.31Å; M692-F761 HydrophobicContact CE-CE1 3.8Å; M692-F761 HydrophobicContact CE-CE2 4.06Å; M692-F761 HydrophobicContact CE-CG 4.34Å; M692-F761 HydrophobicContact CE-CZ 3.78Å; M692-F761 HydrophobicContact CG-CE1 4.38Å; M692-F761 HydrophobicContact CG-CZ 4.33Å; M692-F761 HydrophobicContact SD-CE1 3.98Å; M692-F761 HydrophobicContact SD-CE2 4.01Å; M692-F761 HydrophobicContact SD-CZ 3.52Å; M692-F761 VanDerWaalsContact SD-CZ 3.52Å
693R95.6Very high92.1Very high119 Ų11955.8 Ų55.845%0.44926%0.261SS..EExtended strand (participates in β ladder)trans-98.195.8176-175.9173.761.4-174.3-2.4109.9H745 G780 V781 L783R693-H745 HydrophobicContact CG-CB 3.97Å; R693-G780 WeakPolarHBondContact O-CA 3.42Å; R693-V781 PolarHBondContact N-O 2.84Å; R693-V781 PolarHBondContact O-N 3.07Å; R693-L783 HydrophobicContact CB-CD1 3.97Å; R693-L783 HydrophobicContact CB-CD2 3.95Å; R693-L783 HydrophobicContact CB-CG 3.88Å
694L95.4Very high92.5Very high0 Ų053 Ų530%024%0.241CC..EExtended strand (participates in β ladder)trans-99.7141.9-175-174.8144.9000112M692 F712 F725 T740 H745 C746 A748 F761 A778M692-L694 HydrophobicContact SD-CD1 4.44Å; L694-F712 HydrophobicContact CD1-CE1 4.28Å; L694-F725 HydrophobicContact CD1-CE1 3.94Å; L694-F725 HydrophobicContact CD2-CD1 4.24Å; L694-F725 HydrophobicContact CD2-CE1 3.83Å; L694-F725 HydrophobicContact CG-CE1 4.46Å; L694-T740 HydrophobicContact CD2-CG2 3.74Å; L694-H745 WeakPolarHBondContact O-CA 3.3Å; L694-C746 PolarHBondContact N-O 3.19Å; L694-C746 PolarHBondContact O-N 3.02Å; L694-C746 VanDerWaalsContact O-O 3.09Å; L694-C746 PolarHBondContact O-SG 2.66Å; L694-A748 HydrophobicContact CB-CB 4.21Å; L694-F761 HydrophobicContact CB-CZ 4.1Å; L694-F761 HydrophobicContact CD1-CE2 3.98Å; L694-F761 HydrophobicContact CD1-CZ 4.09Å; L694-F761 HydrophobicContact CG-CZ 4.33Å; L694-A778 HydrophobicContact CD1-CB 4.14Å; L694-A778 HydrophobicContact CD2-CB 3.78Å; L694-A778 HydrophobicContact CG-CB 3.89Å
695K95.6Very high92.8Very high72 Ų7255.2 Ų55.231%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-133.7133.4170.2174.8169.6172.1-173.30110.2H697 H743 H745 A778 T779K695-H697 PolarHBondContact O-N 3.28Å; K695-H743 WeakPolarHBondContact CE-O 3.34Å; K695-H745 VanDerWaalsContact CD-CE1 3.46Å; K695-H745 WeakPolarHBondContact CD-CE1 3.46Å; K695-H745 VanDerWaalsContact CD-NE2 3.29Å; K695-H745 WeakPolarHBondContact CD-NE2 3.21Å; K695-A778 VanDerWaalsContact O-CA 3.28Å; K695-A778 WeakPolarHBondContact O-CA 3.09Å; K695-A778 WeakPolarHBondContact O-CB 3.42Å; K695-T779 PolarHBondContact N-O 3.19Å; K695-T779 PolarHBondContact O-N 3.22Å
696K95.1Very high93.3Very high18 Ų1854.6 Ų54.68%0.07824%0.24CC..EExtended strand (participates in β ladder)trans-57.9133.9170.9-174.4-149.2141.7163.60109.4Y700 E701 R702K696-Y700 WeakPolarHBondContact CE-O 3.29Å; K696-Y700 HydrophobicContact CG-CD1 4.32Å; K696-Y700 PolarHBondContact NZ-O 3.23Å; K696-E701 PolarHBondContact NZ-O 3.03Å; K696-R702 VanDerWaalsContact CD-O 3.25Å; K696-R702 WeakPolarHBondContact CD-O 3.34Å; K696-R702 WeakPolarHBondContact CE-O 3.45Å; K696-R702 PolarHBondContact NZ-O 3.45Å
697H94.8Very high93.5Very high10 Ų1055.1 Ų55.15%0.04624%0.238CC..  trans-65.5150.4-179.6-170.3-99.3000112.6N39 K695 W699 F774 A777N39-H697 PolarHBondContact OD1-NE2 3.44Å; K695-H697 PolarHBondContact O-N 3.28Å; H697-W699 AromaticContact CE1-CD2 3.97Å; H697-W699 AromaticContact CE1-CE3 3.72Å; H697-W699 PolarHBondContact ND1-N 2.98Å; H697-W699 VanDerWaalsContact ND1-N 3.16Å; H697-W699 PolarHBondContact O-N 3.01Å; H697-F774 HydrophobicContact CB-CE1 4.35Å; H697-F774 AromaticContact CE1-CE1 3.28Å; H697-F774 WeakPolarHBondContact CE1-CE1 3.07Å; H697-F774 AromaticContact CE1-CZ 3.39Å; H697-F774 WeakPolarHBondContact CE1-CZ 3.34Å; H697-F774 AromaticContact CG-CE1 3.61Å; H697-F774 AromaticContact ND1-CD1 3.57Å; H697-F774 AromaticContact ND1-CE1 2.92Å; H697-F774 WeakPolarHBondContact ND1-CE1 3.28Å; H697-F774 AromaticContact ND1-CZ 3.59Å; H697-A777 PolarHBondContact N-O 2.88Å
698R92.1Very high93.7Very high119 Ų11952.3 Ų52.345%0.44922%0.223SC..SBendtrans-60.2-38.2-177.151.5173.4165.8160.2-0.7113.9N39 E79N39-R698 PolarHBondContact OD1-NH2 3.31Å; N39-R698 VanDerWaalsContact OD1-NH2 3.13Å; E79-R698 IonicContact OE1-CZ 2.7Å; E79-R698 IonicContact OE1-NH1 2.86Å; E79-R698 PolarHBondContact OE1-NH1 3.33Å; E79-R698 IonicContact OE2-CZ 2.99Å; E79-R698 VanDerWaalsContact OE2-CZ 3.28Å; E79-R698 IonicContact OE2-NH1 3.12Å; E79-R698 PolarHBondContact OE2-NH1 2.91Å; E79-R698 IonicContact OE2-NH2 3.53Å; E79-R698 PolarHBondContact OE2-NH2 3.49Å
699W91.9Very high93.8Very high89 Ų8952.1 Ų52.134%0.33722%0.221SC..SBendtrans-100.4-8.9-174.7-60.5-34.9000114.3F35 N39 E79 H697 E701 F774F35-W699 HydrophobicContact CB-CE3 4.47Å; F35-W699 HydrophobicContact CB-CZ3 3.83Å; F35-W699 AromaticContact CD1-CH2 3.94Å; F35-W699 HydrophobicContact CD1-CH2 3.94Å; F35-W699 HydrophobicContact CD1-CZ3 4Å; F35-W699 HydrophobicContact CE1-CH2 4.41Å; F35-W699 HydrophobicContact CG-CH2 4.28Å; F35-W699 AromaticContact CG-CZ3 3.96Å; F35-W699 HydrophobicContact CG-CZ3 3.96Å; N39-W699 VanDerWaalsContact ND2-CZ3 3.31Å; N39-W699 WeakPolarHBondContact ND2-CZ3 3.38Å; E79-W699 WeakPolarHBondContact OE1-CH2 3.36Å; E79-W699 WeakPolarHBondContact OE1-CZ2 3.28Å; H697-W699 AromaticContact CE1-CD2 3.97Å; H697-W699 AromaticContact CE1-CE3 3.72Å; H697-W699 PolarHBondContact ND1-N 2.98Å; H697-W699 VanDerWaalsContact ND1-N 3.16Å; H697-W699 PolarHBondContact O-N 3.01Å; W699-E701 PolarHBondContact O-N 3.25Å; W699-F774 HydrophobicContact CB-CB 4.4Å; W699-F774 HydrophobicContact CB-CD1 4.12Å; W699-F774 HydrophobicContact CB-CD2 4.38Å; W699-F774 HydrophobicContact CB-CE1 4.49Å; W699-F774 HydrophobicContact CB-CG 4.06Å; W699-F774 HydrophobicContact CE3-CD2 4.26Å; W699-F774 AromaticContact CE3-CE2 3.75Å; W699-F774 HydrophobicContact CE3-CE2 3.75Å; W699-F774 HydrophobicContact CE3-CZ 4.03Å; W699-F774 HydrophobicContact CZ3-CE2 4.4Å
700Y92.6Very high94Very high20 Ų2050.4 Ų50.48%0.07822%0.215CC..  trans-67.6131.1171-172.6-110.1000109.2K696 R702 L704 Q765 F774 A777K696-Y700 WeakPolarHBondContact CE-O 3.29Å; K696-Y700 HydrophobicContact CG-CD1 4.32Å; K696-Y700 PolarHBondContact NZ-O 3.23Å; Y700-R702 HydrophobicContact CD1-CB 4.47Å; Y700-R702 VanDerWaalsContact CD1-O 3.25Å; Y700-R702 WeakPolarHBondContact CD1-O 3.48Å; Y700-R702 HydrophobicContact CE1-CB 3.69Å; Y700-R702 WeakPolarHBondContact CE1-O 3.32Å; Y700-L704 HydrophobicContact CD1-CD2 4.23Å; Y700-L704 HydrophobicContact CE1-CD2 3.52Å; Y700-Q765 VanDerWaalsContact OH-CD 3.26Å; Y700-Q765 PolarHBondContact OH-NE2 2.91Å; Y700-Q765 PolarHBondContact OH-OE1 3.3Å; Y700-F774 WeakPolarHBondContact CD2-O 3.43Å; Y700-A777 HydrophobicContact CD1-CB 4.41Å; Y700-A777 HydrophobicContact CD2-CB 4.2Å; Y700-A777 HydrophobicContact CE1-CB 4.26Å; Y700-A777 HydrophobicContact CE2-CB 4.03Å; Y700-A777 HydrophobicContact CG-CB 4.4Å
701E90.5Very high94.1Very high151 Ų15150.9 Ų50.971%0.70622%0.217SC*.  trans-68.8-55.1-176.2-176.8-152.7-161.300111.3K696 W699K696-E701 PolarHBondContact NZ-O 3.03Å; W699-E701 PolarHBondContact O-N 3.25Å
702R91.5Very high94.2Very high155 Ų15549.7 Ų49.759%0.58521%0.211SC*.SBendtrans-79.3171.2-163.2-59.6175.4-176.9-177.7-2.9112.1K696 Y700K696-R702 VanDerWaalsContact CD-O 3.25Å; K696-R702 WeakPolarHBondContact CD-O 3.34Å; K696-R702 WeakPolarHBondContact CE-O 3.45Å; K696-R702 PolarHBondContact NZ-O 3.45Å; Y700-R702 HydrophobicContact CD1-CB 4.47Å; Y700-R702 VanDerWaalsContact CD1-O 3.25Å; Y700-R702 WeakPolarHBondContact CD1-O 3.48Å; Y700-R702 HydrophobicContact CE1-CB 3.69Å; Y700-R702 WeakPolarHBondContact CE1-O 3.32Å
703I94.2Very high94.2Very high73 Ų7349.9 Ų49.937%0.37421%0.213SC..  trans-104139.6169.760.5176.7000109.6Y739 Q742I703-Y739 HydrophobicContact CD1-CD1 3.86Å; I703-Y739 HydrophobicContact CD1-CD2 4.42Å; I703-Y739 HydrophobicContact CD1-CE1 4.47Å; I703-Y739 HydrophobicContact CD1-CG 3.84Å; I703-Y739 HydrophobicContact CG1-CD1 4.03Å; I703-Y739 HydrophobicContact CG1-CG 4.42Å; I703-Q742 HydrophobicContact CG2-CG 3.82Å
704L94.8Very high94.1Very high4 Ų444.3 Ų44.32%0.02119%0.192CC..  trans-81.6143.1-178-49.5178.7000109.3Y700 L710 F725 Y739 T740 A777 A778Y700-L704 HydrophobicContact CD1-CD2 4.23Å; Y700-L704 HydrophobicContact CE1-CD2 3.52Å; L704-L710 HydrophobicContact CD1-CD1 3.91Å; L704-L710 HydrophobicContact CD2-CD2 4.42Å; L704-F725 HydrophobicContact CB-CE2 3.85Å; L704-F725 HydrophobicContact CB-CZ 3.88Å; L704-Y739 CarbonylContact O-C 3.51Å; L704-Y739 WeakPolarHBondContact O-CA 3.3Å; L704-Y739 WeakPolarHBondContact O-CB 3.48Å; L704-T740 HydrophobicContact CB-CG2 3.82Å; L704-T740 HydrophobicContact CD1-CG2 4.46Å; L704-T740 HydrophobicContact CG-CG2 4.48Å; L704-T740 PolarHBondContact N-OG1 3.22Å; L704-T740 VanDerWaalsContact N-OG1 3.17Å; L704-T740 PolarHBondContact O-N 3.22Å; L704-T740 PolarHBondContact O-OG1 3.42Å; L704-A777 HydrophobicContact CD1-CB 4.23Å; L704-A777 HydrophobicContact CD2-CB 3.94Å; L704-A778 HydrophobicContact CD1-CB 3.58Å
705K95Very high93.9Very high49 Ų4944.4 Ų44.421%0.21319%0.193CC..BIsolated β-bridgetrans-117.6137.4-171.3176.4178140.7-64.20110.2D708 Y739K705-D708 WeakPolarHBondContact CB-OD2 3.47Å; K705-D708 VanDerWaalsContact CD-OD2 3.29Å; K705-D708 WeakPolarHBondContact CD-OD2 3.11Å; K705-D708 IonicContact NZ-OD1 2.67Å; K705-D708 PolarHBondContact NZ-OD1 3.42Å; K705-D708 IonicContact NZ-OD2 3.36Å; K705-D708 PolarHBondContact NZ-OD2 2.95Å; K705-D708 PolarHBondContact O-N 2.94Å; K705-Y739 HydrophobicContact CB-CD1 3.61Å; K705-Y739 HydrophobicContact CB-CE1 3.68Å; K705-Y739 HydrophobicContact CD-CD1 4.46Å; K705-Y739 HydrophobicContact CD-CE1 3.69Å; K705-Y739 HydrophobicContact CG-CD1 3.89Å; K705-Y739 HydrophobicContact CG-CE1 3.61Å
706T95.2Very high93.8Very high22 Ų2241.1 Ų41.114%0.13518%0.179CC..THydrogen-bonded Turntrans-61140.2176.355.50000110.9D708 F725 L736 L737 K738T706-D708 VanDerWaalsContact C-N 3.26Å; T706-D708 PolarHBondContact O-N 3.02Å; T706-F725 HydrophobicContact CG2-CB 3.75Å; T706-F725 HydrophobicContact CG2-CD2 3.62Å; T706-F725 HydrophobicContact CG2-CG 4.06Å; T706-L736 HydrophobicContact CG2-CD1 4.25Å; T706-L737 VanDerWaalsContact CG2-O 3.23Å; T706-L737 WeakPolarHBondContact CG2-O 3.23Å; T706-K738 PolarHBondContact N-O 2.87Å; T706-K738 PolarHBondContact OG1-O 3.13Å
707K93.8Very high93.8Very high104 Ų10440.5 Ų40.545%0.45218%0.176SC..THydrogen-bonded Turntrans63.720-174.7-58.6-158.6172.4-158.70116.1I722 P723 L724 P875K707-I722 VanDerWaalsContact CA-CG2 3.49Å; K707-I722 HydrophobicContact CB-CG2 4.1Å; K707-I722 HydrophobicContact CG-CG2 4.27Å; K707-P723 PolarHBondContact N-O 3.23Å; K707-L724 HydrophobicContact CD-CD2 4.29Å; K707-L724 HydrophobicContact CG-CD2 3.51Å; K707-P875 HydrophobicContact CD-CG 4.36Å
708D94.6Very high93.8Very high19 Ų1940.3 Ų40.310%0.10218%0.175CC..SBendtrans-98.7139.6156.9-70.4-21.4000108.9K705 T706 L900K705-D708 WeakPolarHBondContact CB-OD2 3.47Å; K705-D708 VanDerWaalsContact CD-OD2 3.29Å; K705-D708 WeakPolarHBondContact CD-OD2 3.11Å; K705-D708 IonicContact NZ-OD1 2.67Å; K705-D708 PolarHBondContact NZ-OD1 3.42Å; K705-D708 IonicContact NZ-OD2 3.36Å; K705-D708 PolarHBondContact NZ-OD2 2.95Å; K705-D708 PolarHBondContact O-N 2.94Å; T706-D708 VanDerWaalsContact C-N 3.26Å; T706-D708 PolarHBondContact O-N 3.02Å; D708-L900 WeakPolarHBondContact OD1-CB 3.18Å; D708-L900 PolarHBondContact OD1-N 3.18Å
709P94.8Very high93.9Very high3 Ų334.6 Ų34.62%0.01915%0.154CC..  trans-69.8146.9-177.230-36.3000111.6Q720 T721 I722 M897P709-Q720 HydrophobicContact CB-CG 4.07Å; P709-T721 WeakPolarHBondContact CA-O 3.41Å; P709-I722 HydrophobicContact CB-CG1 4.46Å; P709-M897 HydrophobicContact CB-CB 4.25Å; P709-M897 HydrophobicContact CB-CG 4.45Å; P709-M897 HydrophobicContact CB-SD 4.07Å; P709-M897 HydrophobicContact CG-CB 4.08Å; P709-M897 HydrophobicContact CG-CG 4.01Å; P709-M897 VanDerWaalsContact CG-O 3.29Å; P709-M897 WeakPolarHBondContact CG-O 3.38Å; P709-M897 HydrophobicContact CG-SD 3.98Å
710L94.9Very high94.1Very high5 Ų530.6 Ų30.63%0.02614%0.139CC..EExtended strand (participates in β ladder)trans-136.3150171.2-66177.6000109.5L704 F712 Q720 T721 P723 F725 Q765L704-L710 HydrophobicContact CD1-CD1 3.91Å; L704-L710 HydrophobicContact CD2-CD2 4.42Å; L710-F712 HydrophobicContact CB-CD2 4.35Å; L710-F712 HydrophobicContact CB-CE2 3.8Å; L710-F712 HydrophobicContact CB-CZ 4.45Å; L710-Q720 WeakPolarHBondContact O-CA 3.28Å; L710-T721 PolarHBondContact N-O 2.87Å; L710-T721 PolarHBondContact O-N 2.99Å; L710-P723 HydrophobicContact CD1-CG 4.06Å; L710-P723 HydrophobicContact CG-CG 4.4Å; L710-F725 HydrophobicContact CD1-CZ 4.23Å; L710-Q765 HydrophobicContact CD2-CB 4.04Å; L710-Q765 HydrophobicContact CD2-CG 4.36Å
711I95.5Very high94.3Very high11 Ų1129.7 Ų29.76%0.05614%0.135CC..EExtended strand (participates in β ladder)trans-92125.3173.8-58.2166.5000107.3F719 Q720 A763 V764 V767 V881 W894I711-F719 CarbonylContact C-O 3.53Å; I711-F719 WeakPolarHBondContact CA-O 3.19Å; I711-Q720 HydrophobicContact CG1-CB 4.18Å; I711-Q720 HydrophobicContact CG1-CG 4.03Å; I711-A763 CarbonylContact O-C 3.59Å; I711-A763 VanDerWaalsContact O-CA 3.3Å; I711-A763 WeakPolarHBondContact O-CA 3.44Å; I711-V764 PolarHBondContact N-O 3.14Å; I711-V764 PolarHBondContact O-N 2.78Å; I711-V767 HydrophobicContact CD1-CG2 3.8Å; I711-V881 HydrophobicContact CG2-CG2 3.66Å; I711-W894 HydrophobicContact CD1-CE3 4.35Å; I711-W894 HydrophobicContact CD1-CZ3 3.85Å; I711-W894 HydrophobicContact CG1-CZ3 4.31Å
712F95.6Very high94.5Very high0 Ų023.3 Ų23.30%011%0.106CC..EExtended strand (participates in β ladder)trans-106.9134.2177.1-70.2-104.4000109.4M692 L694 L710 R718 F719 T721 P723 I750 F761 L762 A763M692-F712 HydrophobicContact CE-CD1 3.94Å; M692-F712 HydrophobicContact CE-CE1 3.66Å; M692-F712 HydrophobicContact SD-CE1 3.65Å; M692-F712 HydrophobicContact SD-CZ 4.26Å; L694-F712 HydrophobicContact CD1-CE1 4.28Å; L710-F712 HydrophobicContact CB-CD2 4.35Å; L710-F712 HydrophobicContact CB-CE2 3.8Å; L710-F712 HydrophobicContact CB-CZ 4.45Å; F712-R718 WeakPolarHBondContact O-CA 3.36Å; F712-F719 HydrophobicContact CB-CE1 4.43Å; F712-F719 HydrophobicContact CB-CE2 4.44Å; F712-F719 HydrophobicContact CB-CZ 4.21Å; F712-F719 PolarHBondContact N-O 2.84Å; F712-F719 PolarHBondContact O-N 3.49Å; F712-T721 HydrophobicContact CD2-CG2 3.5Å; F712-T721 HydrophobicContact CE2-CG2 3.53Å; F712-T721 HydrophobicContact CG-CG2 4.45Å; F712-P723 HydrophobicContact CE2-CG 4.39Å; F712-P723 HydrophobicContact CZ-CB 4.3Å; F712-P723 HydrophobicContact CZ-CG 4.24Å; F712-I750 HydrophobicContact CD1-CD1 4.45Å; F712-I750 HydrophobicContact CE1-CD1 4.49Å; F712-I750 HydrophobicContact CE2-CG2 4.17Å; F712-I750 HydrophobicContact CZ-CG2 3.98Å; F712-F761 AromaticContact CD1-CD2 3.59Å; F712-F761 HydrophobicContact CD1-CD2 3.59Å; F712-F761 AromaticContact CD1-CE2 3.8Å; F712-F761 HydrophobicContact CD1-CE2 3.8Å; F712-F761 HydrophobicContact CD1-CG 4.48Å; F712-F761 AromaticContact CE1-CD2 3.93Å; F712-F761 HydrophobicContact CE1-CD2 3.93Å; F712-F761 AromaticContact CE1-CE2 3.61Å; F712-F761 HydrophobicContact CE1-CE2 3.61Å; F712-F761 HydrophobicContact CE1-CZ 4.42Å; F712-L762 CarbonylContact C-O 3.55Å; F712-L762 WeakPolarHBondContact CA-O 3.33Å; F712-A763 HydrophobicContact CD1-CB 4.25Å; F712-A763 HydrophobicContact CE1-CB 4.18Å
713S95.2Very high94.7Very high4 Ų416 Ų163%0.0288%0.078CC..EExtended strand (participates in β ladder)trans-100.6117.81591760000107.4I11 K15 H44 F761 L762I11-S713 WeakPolarHBondContact CG2-OG 3.32Å; K15-S713 VanDerWaalsContact CE-OG 3.26Å; K15-S713 WeakPolarHBondContact CE-OG 3.45Å; K15-S713 PolarHBondContact NZ-OG 2.8Å; K15-S713 VanDerWaalsContact NZ-OG 3.13Å; H44-S713 PolarHBondContact CE1-OG 3.09Å; H44-S713 PolarHBondContact NE2-OG 2.86Å; S713-F761 WeakPolarHBondContact O-CA 3.16Å; S713-F761 WeakPolarHBondContact O-CB 3.33Å; S713-L762 PolarHBondContact N-O 2.91Å; S713-L762 PolarHBondContact O-N 3.36Å
714L93Very high94.8Very high2 Ų212.5 Ų12.51%0.016%0.06CC..EExtended strand (participates in β ladder)trans-151112.9-168176.3149.4000107.7L690 M692 R717 F719 P753 T755 F761 I782L690-L714 HydrophobicContact CD1-CD1 3.95Å; L690-L714 HydrophobicContact CD1-CD2 4.49Å; M692-L714 HydrophobicContact CE-CD1 4.31Å; L714-R717 PolarHBondContact N-O 2.9Å; L714-R717 PolarHBondContact O-N 3.15Å; L714-F719 HydrophobicContact CB-CE1 4.08Å; L714-F719 HydrophobicContact CD1-CZ 4.49Å; L714-F719 HydrophobicContact CD2-CE1 4.16Å; L714-F719 HydrophobicContact CD2-CZ 4.45Å; L714-P753 HydrophobicContact CD2-CG 4.3Å; L714-T755 HydrophobicContact CD2-CG2 3.54Å; L714-T755 WeakPolarHBondContact CD2-OG1 3.4Å; L714-F761 HydrophobicContact CB-CB 4.1Å; L714-F761 HydrophobicContact CD1-CB 4.17Å; L714-F761 HydrophobicContact CG-CB 4.36Å; L714-I782 HydrophobicContact CD1-CD1 3.82Å; L714-I782 HydrophobicContact CD1-CG1 4.27Å; L714-I782 HydrophobicContact CD2-CD1 4.4Å; L714-I782 HydrophobicContact CG-CD1 4.07Å
715G92.1Very high94.9Very high3 Ų312.3 Ų12.33%0.0316%0.059CC..THydrogen-bonded Turntrans57.1-142.4-161.600000111.6K15 W119 R717K15-G715 VanDerWaalsContact CE-O 3.28Å; K15-G715 WeakPolarHBondContact CE-O 3.26Å; K15-G715 PolarHBondContact NZ-O 3.07Å; K15-G715 VanDerWaalsContact NZ-O 3.11Å; W119-G715 VanDerWaalsContact CH2-CA 3.45Å; G715-R717 VanDerWaalsContact C-N 3.31Å; G715-R717 PolarHBondContact O-N 2.83Å
716W93.6Very high94.9Very high2 Ų210.3 Ų10.31%0.0085%0.05CC..THydrogen-bonded Turntrans-62.3-38.7172.1-58.7121.7000112.3K15 V16 W119 H123 Y125 H168 I676 G679K15-W716 HydrophobicContact CB-CZ3 3.98Å; K15-W716 HydrophobicContact CD-CE3 4.22Å; K15-W716 HydrophobicContact CD-CZ3 4.45Å; K15-W716 PolarHBondContact NZ-O 2.95Å; V16-W716 HydrophobicContact CG2-CH2 4.48Å; V16-W716 HydrophobicContact CG2-CZ3 4.04Å; W119-W716 AromaticContact CD1-CH2 3.98Å; W119-W716 AromaticContact CD1-CZ2 3.95Å; W119-W716 AromaticContact CZ2-CD1 3.9Å; W119-W716 HydrophobicContact CZ2-CD2 4.36Å; W119-W716 HydrophobicContact CZ2-CG 4.23Å; W119-W716 AromaticContact CZ2-NE1 3.79Å; W119-W716 AromaticContact NE1-CD2 3.78Å; W119-W716 AromaticContact NE1-CE2 3.37Å; W119-W716 AromaticContact NE1-CH2 3.58Å; W119-W716 AromaticContact NE1-CZ2 3.26Å; W119-W716 VanDerWaalsContact NE1-CZ2 3.26Å; W119-W716 AromaticContact NE1-CZ3 3.97Å; W119-W716 AromaticContact NE1-NE1 3.96Å; H123-W716 HydrophobicContact CB-CZ2 4.03Å; Y125-W716 AromaticContact CD1-CH2 4Å; Y125-W716 HydrophobicContact CD1-CH2 4Å; Y125-W716 HydrophobicContact CD1-CZ2 4.18Å; Y125-W716 HydrophobicContact CD2-CH2 4.44Å; Y125-W716 AromaticContact CG-CH2 3.79Å; Y125-W716 HydrophobicContact CG-CH2 3.79Å; Y125-W716 HydrophobicContact CG-CZ2 4.18Å; H168-W716 HydrophobicContact CB-CB 4.16Å; I676-W716 HydrophobicContact CG2-CZ3 4.34Å; G679-W716 PolarHBondContact O-NE1 2.94Å; G679-W716 VanDerWaalsContact O-NE1 3.14Å
717R94.3Very high94.9Very high5 Ų511.2 Ų11.22%0.0195%0.054CC..EExtended strand (participates in β ladder)trans-74.5144.8-165.9-57.7-165.2-178.8104.4-28.2114D174 E684 L714 G715 F719D174-R717 VanDerWaalsContact CG-NE 3.31Å; D174-R717 IonicContact OD1-CZ 3.96Å; D174-R717 IonicContact OD1-NE 2.71Å; D174-R717 PolarHBondContact OD1-NE 2.79Å; D174-R717 IonicContact OD1-NH2 3.28Å; D174-R717 IonicContact OD2-CZ 2.73Å; D174-R717 VanDerWaalsContact OD2-CZ 3.25Å; D174-R717 IonicContact OD2-NE 3.15Å; D174-R717 PolarHBondContact OD2-NE 2.93Å; D174-R717 IonicContact OD2-NH2 3.88Å; D174-R717 PolarHBondContact OD2-NH2 3Å; E684-R717 VanDerWaalsContact O-CZ 3.26Å; E684-R717 PolarHBondContact O-NH1 3.38Å; E684-R717 PolarHBondContact O-NH2 2.9Å; L714-R717 PolarHBondContact N-O 2.9Å; L714-R717 PolarHBondContact O-N 3.15Å; G715-R717 VanDerWaalsContact C-N 3.31Å; G715-R717 PolarHBondContact O-N 2.83Å; R717-F719 HydrophobicContact CB-CD1 4.29Å
718R94.5Very high94.8Very high6 Ų612.4 Ų12.42%0.0236%0.061CC..EExtended strand (participates in β ladder)trans-115.5125166.1-66.9-176.5-66.8-126.5-8.5109.5N8 I11 D12 P170 G171 F712 P880 V881 S883N8-R718 VanDerWaalsContact CB-NH1 3.32Å; N8-R718 PolarHBondContact O-NH1 2.81Å; I11-R718 HydrophobicContact CG2-CG 4.4Å; D12-R718 IonicContact OD1-CZ 2.9Å; D12-R718 IonicContact OD1-NH1 3.95Å; D12-R718 PolarHBondContact OD1-NH1 3.34Å; D12-R718 IonicContact OD2-CZ 3.95Å; D12-R718 IonicContact OD2-NH1 2.84Å; D12-R718 PolarHBondContact OD2-NH1 2.89Å; D12-R718 IonicContact OD2-NH2 2.68Å; D12-R718 PolarHBondContact OD2-NH2 2.79Å; P170-R718 PolarHBondContact O-NH2 2.89Å; P170-R718 VanDerWaalsContact O-NH2 3.11Å; G171-R718 VanDerWaalsContact N-NH2 3.16Å; F712-R718 WeakPolarHBondContact O-CA 3.36Å; R718-P880 WeakPolarHBondContact O-CA 3.31Å; R718-V881 HydrophobicContact CB-CB 3.78Å; R718-V881 HydrophobicContact CB-CG2 3.93Å; R718-V881 PolarHBondContact O-N 3.4Å; R718-S883 PolarHBondContact NH2-OG 3.5Å
719F95.3Very high94.7Very high0 Ų013 Ų130%06%0.064CC..EExtended strand (participates in β ladder)trans-153150.4-179.262.5-85.2000113.1I711 F712 L714 R717 T721 I750 P753 Y878 N879I711-F719 CarbonylContact C-O 3.53Å; I711-F719 WeakPolarHBondContact CA-O 3.19Å; F712-F719 HydrophobicContact CB-CE1 4.43Å; F712-F719 HydrophobicContact CB-CE2 4.44Å; F712-F719 HydrophobicContact CB-CZ 4.21Å; F712-F719 PolarHBondContact N-O 2.84Å; F712-F719 PolarHBondContact O-N 3.49Å; L714-F719 HydrophobicContact CB-CE1 4.08Å; L714-F719 HydrophobicContact CD1-CZ 4.49Å; L714-F719 HydrophobicContact CD2-CE1 4.16Å; L714-F719 HydrophobicContact CD2-CZ 4.45Å; R717-F719 HydrophobicContact CB-CD1 4.29Å; F719-T721 HydrophobicContact CD2-CG2 4.1Å; F719-T721 HydrophobicContact CE2-CG2 3.74Å; F719-I750 HydrophobicContact CE2-CD1 4.11Å; F719-I750 HydrophobicContact CZ-CD1 4.15Å; F719-P753 HydrophobicContact CD1-CG 4.17Å; F719-P753 HydrophobicContact CE1-CG 3.63Å; F719-P753 HydrophobicContact CZ-CG 4.03Å; F719-Y878 HydrophobicContact CB-CD2 3.83Å; F719-Y878 HydrophobicContact CB-CE2 3.41Å; F719-Y878 VanDerWaalsContact CB-CE2 3.41Å; F719-Y878 HydrophobicContact CD1-CD2 4.49Å; F719-Y878 AromaticContact CD1-CE2 3.85Å; F719-Y878 HydrophobicContact CD1-CE2 3.85Å; F719-Y878 AromaticContact CD2-CD2 3.56Å; F719-Y878 HydrophobicContact CD2-CD2 3.56Å; F719-Y878 AromaticContact CD2-CE2 3.75Å; F719-Y878 HydrophobicContact CD2-CE2 3.75Å; F719-Y878 HydrophobicContact CE2-CD2 4.23Å; F719-Y878 HydrophobicContact CE2-CE2 4.46Å; F719-Y878 AromaticContact CG-CD2 3.72Å; F719-Y878 HydrophobicContact CG-CD2 3.72Å; F719-Y878 AromaticContact CG-CE2 3.39Å; F719-Y878 HydrophobicContact CG-CE2 3.39Å; F719-N879 CarbonylContact C-O 3.57Å; F719-N879 VanDerWaalsContact CA-O 3.32Å; F719-N879 WeakPolarHBondContact CA-O 3.31Å
720Q95.6Very high94.3Very high5 Ų522.5 Ų22.52%0.02311%0.108CC..EExtended strand (participates in β ladder)trans-92.8132.5173.6-160.8-174.639.600111.1P709 L710 I711 N879 W894 M897P709-Q720 HydrophobicContact CB-CG 4.07Å; L710-Q720 WeakPolarHBondContact O-CA 3.28Å; I711-Q720 HydrophobicContact CG1-CB 4.18Å; I711-Q720 HydrophobicContact CG1-CG 4.03Å; Q720-N879 HydrophobicContact CB-CB 4.31Å; Q720-N879 PolarHBondContact N-O 3.48Å; Q720-N879 PolarHBondContact O-N 2.68Å; Q720-N879 VanDerWaalsContact O-N 3.15Å; Q720-W894 HydrophobicContact CB-CH2 4.31Å; Q720-M897 PolarHBondContact NE2-O 3.48Å
721T95.9Very high93.9Very high0 Ų028.3 Ų28.30%014%0.139CC..EExtended strand (participates in β ladder)trans-147.8176.3177.2-174.50000111.1P709 L710 F712 F719 P723 I750 W751 L877P709-T721 WeakPolarHBondContact CA-O 3.41Å; L710-T721 PolarHBondContact N-O 2.87Å; L710-T721 PolarHBondContact O-N 2.99Å; F712-T721 HydrophobicContact CD2-CG2 3.5Å; F712-T721 HydrophobicContact CE2-CG2 3.53Å; F712-T721 HydrophobicContact CG-CG2 4.45Å; F719-T721 HydrophobicContact CD2-CG2 4.1Å; F719-T721 HydrophobicContact CE2-CG2 3.74Å; T721-P723 WeakPolarHBondContact O-CD 3.32Å; T721-I750 HydrophobicContact CG2-CB 3.79Å; T721-I750 HydrophobicContact CG2-CD1 3.89Å; T721-I750 HydrophobicContact CG2-CG1 4.44Å; T721-I750 HydrophobicContact CG2-CG2 3.67Å; T721-W751 PolarHBondContact OG1-O 2.93Å; T721-L877 VanDerWaalsContact CB-O 3.3Å; T721-L877 WeakPolarHBondContact CB-O 3.12Å; T721-L877 PolarHBondContact OG1-O 2.82Å
722I95.3Very high93.4Very high18 Ų1830.2 Ų30.29%0.09216%0.162CC..  trans-116.892.6-170.8-57.9-177.3000111.1K707 P709 P875 L877 M897K707-I722 VanDerWaalsContact CA-CG2 3.49Å; K707-I722 HydrophobicContact CB-CG2 4.1Å; K707-I722 HydrophobicContact CG-CG2 4.27Å; P709-I722 HydrophobicContact CB-CG1 4.46Å; I722-P875 HydrophobicContact CB-CB 4.3Å; I722-P875 HydrophobicContact CB-CG 4.27Å; I722-P875 HydrophobicContact CD1-CB 4.49Å; I722-P875 HydrophobicContact CG2-CB 4.46Å; I722-P875 HydrophobicContact CG2-CG 3.95Å; I722-L877 HydrophobicContact CD1-CB 4.17Å; I722-L877 HydrophobicContact CD1-CD2 3.77Å; I722-L877 HydrophobicContact CG1-CB 4.17Å; I722-L877 HydrophobicContact CG1-CD2 3.77Å; I722-M897 HydrophobicContact CD1-CE 4.4Å; I722-M897 HydrophobicContact CD1-SD 3.93Å
723P95.6Very high93.3Very high0 Ų035.9 Ų35.90%018%0.183CC..  trans-72.3143.3-176.225.9-33.9000115.3K707 L710 F712 T721 F725 I750K707-P723 PolarHBondContact N-O 3.23Å; L710-P723 HydrophobicContact CD1-CG 4.06Å; L710-P723 HydrophobicContact CG-CG 4.4Å; F712-P723 HydrophobicContact CE2-CG 4.39Å; F712-P723 HydrophobicContact CZ-CB 4.3Å; F712-P723 HydrophobicContact CZ-CG 4.24Å; T721-P723 WeakPolarHBondContact O-CD 3.32Å; P723-F725 HydrophobicContact CB-CD1 4.49Å; P723-F725 HydrophobicContact CB-CE1 3.86Å; P723-F725 HydrophobicContact CB-CZ 4.06Å; P723-F725 HydrophobicContact CG-CE1 4.03Å; P723-F725 HydrophobicContact CG-CZ 3.74Å; P723-I750 HydrophobicContact CB-CG2 3.68Å
724L96.1Very high93.2Very high1 Ų137.6 Ų37.61%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-107.693.4165.9-65.7-165.1000111.4K707 H726 L736 A748 S749 I791 V872 S873 V874K707-L724 HydrophobicContact CD-CD2 4.29Å; K707-L724 HydrophobicContact CG-CD2 3.51Å; L724-H726 PolarHBondContact O-N 3.37Å; L724-H726 PolarHBondContact O-ND1 2.99Å; L724-L736 HydrophobicContact CB-CD1 3.98Å; L724-L736 HydrophobicContact CD1-CD1 4.34Å; L724-L736 HydrophobicContact CD2-CD1 4.16Å; L724-L736 HydrophobicContact CG-CD1 4.4Å; L724-A748 WeakPolarHBondContact O-CA 3.41Å; L724-S749 PolarHBondContact N-O 3.16Å; L724-S749 PolarHBondContact O-N 3.22Å; L724-I791 HydrophobicContact CB-CD1 3.58Å; L724-I791 HydrophobicContact CD1-CD1 4.13Å; L724-I791 HydrophobicContact CG-CD1 4.49Å; L724-V872 HydrophobicContact CD1-CG1 4.01Å; L724-S873 WeakPolarHBondContact CD1-O 3.2Å; L724-V874 HydrophobicContact CD1-CB 4.4Å; L724-V874 HydrophobicContact CD1-CG2 3.99Å; L724-V874 HydrophobicContact CG-CG2 4.39Å
725F96.9Very high93.3Very high0 Ų040.3 Ų40.30%020%0.201CC..EExtended strand (participates in β ladder)trans-62.1130.2170.8-48.4-54.8000111.5L694 L704 T706 L710 P723 L737 T740 G747 A748L694-F725 HydrophobicContact CD1-CE1 3.94Å; L694-F725 HydrophobicContact CD2-CD1 4.24Å; L694-F725 HydrophobicContact CD2-CE1 3.83Å; L694-F725 HydrophobicContact CG-CE1 4.46Å; L704-F725 HydrophobicContact CB-CE2 3.85Å; L704-F725 HydrophobicContact CB-CZ 3.88Å; T706-F725 HydrophobicContact CG2-CB 3.75Å; T706-F725 HydrophobicContact CG2-CD2 3.62Å; T706-F725 HydrophobicContact CG2-CG 4.06Å; L710-F725 HydrophobicContact CD1-CZ 4.23Å; P723-F725 HydrophobicContact CB-CD1 4.49Å; P723-F725 HydrophobicContact CB-CE1 3.86Å; P723-F725 HydrophobicContact CB-CZ 4.06Å; P723-F725 HydrophobicContact CG-CE1 4.03Å; P723-F725 HydrophobicContact CG-CZ 3.74Å; F725-L737 HydrophobicContact CB-CB 4.37Å; F725-L737 PolarHBondContact O-N 3.06Å; F725-T740 HydrophobicContact CD1-CG2 3.8Å; F725-T740 HydrophobicContact CD2-CG2 3.81Å; F725-T740 HydrophobicContact CE1-CG2 3.84Å; F725-T740 HydrophobicContact CE2-CG2 3.84Å; F725-T740 HydrophobicContact CG-CG2 3.81Å; F725-T740 HydrophobicContact CZ-CG2 3.87Å; F725-G747 CarbonylContact C-O 3.53Å; F725-G747 WeakPolarHBondContact CA-O 3.49Å; F725-A748 HydrophobicContact CD1-CB 3.74Å; F725-A748 HydrophobicContact CE1-CB 4.15Å
726H95.7Very high93.5Very high6 Ų641.5 Ų41.53%0.02821%0.206CC..EExtended strand (participates in β ladder)trans-138.9165.9179.362.4-99.7000111L724 H734 R735 G747 S749L724-H726 PolarHBondContact O-N 3.37Å; L724-H726 PolarHBondContact O-ND1 2.99Å; H726-H734 HydrophobicContact CB-CB 4.37Å; H726-H734 AromaticContact CD2-CG 3.9Å; H726-H734 AromaticContact NE2-CG 3.97Å; H726-R735 CarbonylContact C-O 3.58Å; H726-R735 VanDerWaalsContact CA-O 3.26Å; H726-R735 WeakPolarHBondContact CA-O 3.47Å; H726-G747 PolarHBondContact N-O 2.91Å; H726-G747 PolarHBondContact O-N 2.82Å; H726-G747 VanDerWaalsContact O-O 3.07Å; H726-S749 PolarHBondContact CE1-OG 2.97Å; H726-S749 VanDerWaalsContact CE1-OG 3.31Å
727M94.9Very high93.7Very high42 Ų4242.9 Ų42.921%0.20721%0.213CC..EExtended strand (participates in β ladder)trans-130.4139.1168.2-75.8-66.2-60.500108.3D729 R735 L737 M744 C746M727-D729 PolarHBondContact O-N 3.34Å; M727-R735 PolarHBondContact N-O 3.32Å; M727-R735 WeakPolarHBondContact O-CB 3.42Å; M727-R735 PolarHBondContact O-N 3.07Å; M727-L737 HydrophobicContact CB-CD2 4.33Å; M727-L737 HydrophobicContact CG-CD1 3.8Å; M727-L737 HydrophobicContact CG-CD2 3.94Å; M727-L737 HydrophobicContact CG-CG 4.05Å; M727-M744 HydrophobicContact CE-CE 3.66Å; M727-M744 HydrophobicContact CE-SD 4.25Å; M727-C746 HydrophobicContact CG-CB 4.47Å; M727-C746 HydrophobicContact SD-CB 3.72Å
728E92.3Very high93.7Very high128 Ų12850.2 Ų50.260%0.59825%0.245SC*.EExtended strand (participates in β ladder)trans-66122.1167.5-153.2-170.8152.100109.6R733E728-R733 WeakPolarHBondContact CA-O 3.21Å
729D90.9Very high93.8Very high33 Ų3355.3 Ų55.318%0.17627%0.265CS..EExtended strand (participates in β ladder)trans-83153.2161.5-80.1-17.8000108.5M727 N731 G732 R733 R735 W869M727-D729 PolarHBondContact O-N 3.34Å; D729-N731 PolarHBondContact O-N 3Å; D729-G732 PolarHBondContact O-N 2.88Å; D729-R733 PolarHBondContact N-O 2.87Å; D729-R733 PolarHBondContact O-N 2.85Å; D729-R735 IonicContact OD1-CZ 3.61Å; D729-R735 IonicContact OD1-NE 3.25Å; D729-R735 PolarHBondContact OD1-NE 2.87Å; D729-R735 IonicContact OD1-NH2 2.65Å; D729-R735 PolarHBondContact OD1-NH2 2.83Å; D729-R735 WeakPolarHBondContact OD2-CD 3.31Å; D729-R735 IonicContact OD2-NE 2.83Å; D729-R735 PolarHBondContact OD2-NE 3.16Å; D729-W869 VanDerWaalsContact OD2-CH2 3.31Å; D729-W869 WeakPolarHBondContact OD2-CH2 2.91Å
730H87.1Confident93.8Very high202 Ų20255.6 Ų55.694%0.93527%0.267SS*.THydrogen-bonded Turntrans-53.46.4-177.6-48.6-66.2000117.7
731N87.4Confident93.8Very high126 Ų12657.1 Ų57.167%0.67428%0.278SS*.THydrogen-bonded Turntrans-110.718.5176.8-68.492.3000111.9D729 R733D729-N731 PolarHBondContact O-N 3Å; N731-R733 HydrophobicContact CB-CG 4.29Å
732G85.4Confident93.6Very high52 Ų5262.8 Ų62.854%0.53630%0.304SS..THydrogen-bonded Turntrans65.636.1-17600000113.4D729D729-G732 PolarHBondContact O-N 2.88Å
733R91.7Very high93.4Very high119 Ų11968.9 Ų68.945%0.44933%0.332SS..EExtended strand (participates in β ladder)trans-120.2119.8-172-67.4-176.9-171.9-163.4-1.5112.4E728 D729 N731 R735 V792E728-R733 WeakPolarHBondContact CA-O 3.21Å; D729-R733 PolarHBondContact N-O 2.87Å; D729-R733 PolarHBondContact O-N 2.85Å; N731-R733 HydrophobicContact CB-CG 4.29Å; R733-R735 PolarHBondContact O-N 3.18Å; R733-V792 HydrophobicContact CB-CG2 4.32Å
734H93.6Very high93.3Very high40 Ų4074.2 Ų74.219%0.18536%0.358CS..EExtended strand (participates in β ladder)trans-72.584.6177.6-58.8170.7000110.8Q691 H726 L736 I791 V792Q691-H734 PolarHBondContact OE1-CE1 2.65Å; Q691-H734 PolarHBondContact OE1-ND1 3.2Å; Q691-H734 VanDerWaalsContact OE1-ND1 3.16Å; H726-H734 HydrophobicContact CB-CB 4.37Å; H726-H734 AromaticContact CD2-CG 3.9Å; H726-H734 AromaticContact NE2-CG 3.97Å; H734-L736 PolarHBondContact O-N 3.06Å; H734-I791 HydrophobicContact CB-CG1 4.38Å; H734-V792 PolarHBondContact O-N 3.17Å
735R95.6Very high93.3Very high59 Ų5978.3 Ų78.322%0.22338%0.377CS..EExtended strand (participates in β ladder)trans-77.8114.6180172.8176.149.463.46.4110.8H726 M727 D729 R733 L737 V792 W869H726-R735 CarbonylContact C-O 3.58Å; H726-R735 VanDerWaalsContact CA-O 3.26Å; H726-R735 WeakPolarHBondContact CA-O 3.47Å; M727-R735 PolarHBondContact N-O 3.32Å; M727-R735 WeakPolarHBondContact O-CB 3.42Å; M727-R735 PolarHBondContact O-N 3.07Å; D729-R735 IonicContact OD1-CZ 3.61Å; D729-R735 IonicContact OD1-NE 3.25Å; D729-R735 PolarHBondContact OD1-NE 2.87Å; D729-R735 IonicContact OD1-NH2 2.65Å; D729-R735 PolarHBondContact OD1-NH2 2.83Å; D729-R735 WeakPolarHBondContact OD2-CD 3.31Å; D729-R735 IonicContact OD2-NE 2.83Å; D729-R735 PolarHBondContact OD2-NE 3.16Å; R733-R735 PolarHBondContact O-N 3.18Å; R735-L737 VanDerWaalsContact NH1-CD2 3.3Å; R735-L737 PolarHBondContact O-N 3.2Å; R735-V792 CarbonylContact C-O 3.59Å; R735-V792 WeakPolarHBondContact CA-O 3.34Å; R735-W869 HydrophobicContact CB-CZ3 4.21Å; R735-W869 HydrophobicContact CG-CZ3 3.92Å
736L96.8Very high93.2Very high27 Ų2778.5 Ų78.514%0.14138%0.378CS..EExtended strand (participates in β ladder)trans-52.2126.9174-171.968.8000112T706 L724 H734 I791 V792 K793 V872T706-L736 HydrophobicContact CG2-CD1 4.25Å; L724-L736 HydrophobicContact CB-CD1 3.98Å; L724-L736 HydrophobicContact CD1-CD1 4.34Å; L724-L736 HydrophobicContact CD2-CD1 4.16Å; L724-L736 HydrophobicContact CG-CD1 4.4Å; H734-L736 PolarHBondContact O-N 3.06Å; L736-I791 HydrophobicContact CB-CG2 3.72Å; L736-I791 HydrophobicContact CD1-CG2 3.87Å; L736-I791 HydrophobicContact CG-CG2 4.31Å; L736-V792 PolarHBondContact N-O 2.73Å; L736-K793 HydrophobicContact CB-CB 4.3Å; L736-K793 HydrophobicContact CD2-CB 3.95Å; L736-K793 HydrophobicContact CD2-CD 4Å; L736-K793 HydrophobicContact CD2-CG 4.02Å; L736-V872 HydrophobicContact CD2-CB 4.43Å; L736-V872 HydrophobicContact CD2-CG1 4.33Å; L736-V872 HydrophobicContact CD2-CG2 4.22Å
737L96.5Very high93.2Very high32 Ų3278.9 Ų78.917%0.16838%0.384CS..  trans-86.7174.8167-62-171000110.7T706 F725 M727 R735 Y739 C746T706-L737 VanDerWaalsContact CG2-O 3.23Å; T706-L737 WeakPolarHBondContact CG2-O 3.23Å; F725-L737 HydrophobicContact CB-CB 4.37Å; F725-L737 PolarHBondContact O-N 3.06Å; M727-L737 HydrophobicContact CB-CD2 4.33Å; M727-L737 HydrophobicContact CG-CD1 3.8Å; M727-L737 HydrophobicContact CG-CD2 3.94Å; M727-L737 HydrophobicContact CG-CG 4.05Å; R735-L737 VanDerWaalsContact NH1-CD2 3.3Å; R735-L737 PolarHBondContact O-N 3.2Å; L737-Y739 WeakPolarHBondContact CB-O 3.26Å; L737-Y739 WeakPolarHBondContact CD1-O 3.47Å; L737-C746 HydrophobicContact CD1-CB 4.26Å
738K94.9Very high93.2Very high159 Ų15976.9 Ų76.969%0.69137%0.374SS*.SBendtrans-99.6-27.9165.9-65.5-176.2-179.4-178.20112.4T706T706-K738 PolarHBondContact N-O 2.87Å; T706-K738 PolarHBondContact OG1-O 3.13Å
739Y96.4Very high93.3Very high113 Ų11370.8 Ų70.844%0.44335%0.345SS..BIsolated β-bridgetrans-145.7156.6-175.9-56.5-83.3000109.1I703 L704 K705 L737I703-Y739 HydrophobicContact CD1-CD1 3.86Å; I703-Y739 HydrophobicContact CD1-CD2 4.42Å; I703-Y739 HydrophobicContact CD1-CE1 4.47Å; I703-Y739 HydrophobicContact CD1-CG 3.84Å; I703-Y739 HydrophobicContact CG1-CD1 4.03Å; I703-Y739 HydrophobicContact CG1-CG 4.42Å; L704-Y739 CarbonylContact O-C 3.51Å; L704-Y739 WeakPolarHBondContact O-CA 3.3Å; L704-Y739 WeakPolarHBondContact O-CB 3.48Å; K705-Y739 HydrophobicContact CB-CD1 3.61Å; K705-Y739 HydrophobicContact CB-CE1 3.68Å; K705-Y739 HydrophobicContact CD-CD1 4.46Å; K705-Y739 HydrophobicContact CD-CE1 3.69Å; K705-Y739 HydrophobicContact CG-CD1 3.89Å; K705-Y739 HydrophobicContact CG-CE1 3.61Å; L737-Y739 WeakPolarHBondContact CB-O 3.26Å; L737-Y739 WeakPolarHBondContact CD1-O 3.47Å
740T96.3Very high93.5Very high5 Ų569.2 Ų69.23%0.03134%0.337CS..  trans-61.7141.3165.652.60000110.6L694 L704 F725L694-T740 HydrophobicContact CD2-CG2 3.74Å; L704-T740 HydrophobicContact CB-CG2 3.82Å; L704-T740 HydrophobicContact CD1-CG2 4.46Å; L704-T740 HydrophobicContact CG-CG2 4.48Å; L704-T740 PolarHBondContact N-OG1 3.22Å; L704-T740 VanDerWaalsContact N-OG1 3.17Å; L704-T740 PolarHBondContact O-N 3.22Å; L704-T740 PolarHBondContact O-OG1 3.42Å; F725-T740 HydrophobicContact CD1-CG2 3.8Å; F725-T740 HydrophobicContact CD2-CG2 3.81Å; F725-T740 HydrophobicContact CE1-CG2 3.84Å; F725-T740 HydrophobicContact CE2-CG2 3.84Å; F725-T740 HydrophobicContact CG-CG2 3.81Å; F725-T740 HydrophobicContact CZ-CG2 3.87Å
741P95.3Very high93.9Very high38 Ų3861.9 Ų61.925%0.24730%0.301CS..  trans-62.8153.3164.130.1-33.9000110.4M744 C746P741-M744 HydrophobicContact CB-CB 3.95Å; P741-M744 HydrophobicContact CG-CB 3.8Å; P741-C746 HydrophobicContact CG-CB 4.21Å
742Q91.2Very high94.2Very high119 Ų11955.9 Ų55.956%0.55627%0.269SS*.SBendtrans-70.7-36.6-170.6-75.4174.1-37.600114.5I703I703-Q742 HydrophobicContact CG2-CG 3.82Å
743H91Very high94.6Very high146 Ų14653.5 Ų53.568%0.67624%0.244SC*.SBendtrans-132.63.7-172.3-55.2-54.3000114.1K695K695-H743 WeakPolarHBondContact CE-O 3.34Å
744M93.7Very high94.6Very high111 Ų11149.8 Ų49.855%0.54723%0.233SC..SBendtrans-107.4155.5-177.3-166.2-175.6178.800110M727 P741M727-M744 HydrophobicContact CE-CE 3.66Å; M727-M744 HydrophobicContact CE-SD 4.25Å; P741-M744 HydrophobicContact CB-CB 3.95Å; P741-M744 HydrophobicContact CG-CB 3.8Å
745H94.8Very high94.4Very high87 Ų8748 Ų4840%0.40323%0.225SC..  trans-74.6147.8165.7-60.8-99.9000109.9R693 L694 K695R693-H745 HydrophobicContact CG-CB 3.97Å; L694-H745 WeakPolarHBondContact O-CA 3.3Å; K695-H745 VanDerWaalsContact CD-CE1 3.46Å; K695-H745 WeakPolarHBondContact CD-CE1 3.46Å; K695-H745 VanDerWaalsContact CD-NE2 3.29Å; K695-H745 WeakPolarHBondContact CD-NE2 3.21Å
746C95.8Very high94.1Very high4 Ų447.8 Ų47.83%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-133155.3168.555.40000109.8L694 M727 L737 P741L694-C746 PolarHBondContact N-O 3.19Å; L694-C746 PolarHBondContact O-N 3.02Å; L694-C746 VanDerWaalsContact O-O 3.09Å; L694-C746 PolarHBondContact O-SG 2.66Å; M727-C746 HydrophobicContact CG-CB 4.47Å; M727-C746 HydrophobicContact SD-CB 3.72Å; L737-C746 HydrophobicContact CD1-CB 4.26Å; P741-C746 HydrophobicContact CG-CB 4.21Å
747G95.3Very high93.9Very high14 Ų1452 Ų5214%0.14425%0.25CC..EExtended strand (participates in β ladder)trans-67.8147.716600000109.8M692 F725 H726M692-G747 CarbonylContact O-C 3.58Å; M692-G747 WeakPolarHBondContact O-CA 3.42Å; F725-G747 CarbonylContact C-O 3.53Å; F725-G747 WeakPolarHBondContact CA-O 3.49Å; H726-G747 PolarHBondContact N-O 2.91Å; H726-G747 PolarHBondContact O-N 2.82Å; H726-G747 VanDerWaalsContact O-O 3.07Å
748A95.6Very high93.6Very high0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-135.2152.8164.300000108.8M692 L694 L724 F725M692-A748 HydrophobicContact CG-CB 3.87Å; M692-A748 WeakPolarHBondContact CG-O 3.45Å; M692-A748 PolarHBondContact N-O 2.83Å; M692-A748 PolarHBondContact O-N 3Å; M692-A748 HydrophobicContact SD-CB 3.98Å; L694-A748 HydrophobicContact CB-CB 4.21Å; L724-A748 WeakPolarHBondContact O-CA 3.41Å; F725-A748 HydrophobicContact CD1-CB 3.74Å; F725-A748 HydrophobicContact CE1-CB 4.15Å
749S94.9Very high93.5Very high0 Ų046.4 Ų46.40%024%0.242CC..EExtended strand (participates in β ladder)trans-127.4137.9168.4-49.70000109.8L690 L724 H726L690-S749 WeakPolarHBondContact O-CA 3.35Å; L724-S749 PolarHBondContact N-O 3.16Å; L724-S749 PolarHBondContact O-N 3.22Å; H726-S749 PolarHBondContact CE1-OG 2.97Å; H726-S749 VanDerWaalsContact CE1-OG 3.31Å
750I95.1Very high93.3Very high0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-130170.317756.3168000109.7Y689 L690 M692 F712 F719 T721 P723Y689-I750 WeakPolarHBondContact CA-O 3.39Å; L690-I750 HydrophobicContact CB-CD1 4.37Å; L690-I750 HydrophobicContact CB-CG1 3.84Å; L690-I750 HydrophobicContact CD1-CD1 3.62Å; L690-I750 HydrophobicContact CD1-CG1 3.92Å; L690-I750 HydrophobicContact CG-CG1 4.41Å; L690-I750 PolarHBondContact N-O 2.94Å; L690-I750 PolarHBondContact O-N 3.48Å; M692-I750 HydrophobicContact CE-CD1 3.47Å; M692-I750 VanDerWaalsContact CE-CD1 3.47Å; M692-I750 HydrophobicContact CE-CG1 3.9Å; M692-I750 HydrophobicContact SD-CD1 4.47Å; M692-I750 HydrophobicContact SD-CG1 4.48Å; F712-I750 HydrophobicContact CD1-CD1 4.45Å; F712-I750 HydrophobicContact CE1-CD1 4.49Å; F712-I750 HydrophobicContact CE2-CG2 4.17Å; F712-I750 HydrophobicContact CZ-CG2 3.98Å; F719-I750 HydrophobicContact CE2-CD1 4.11Å; F719-I750 HydrophobicContact CZ-CD1 4.15Å; T721-I750 HydrophobicContact CG2-CB 3.79Å; T721-I750 HydrophobicContact CG2-CD1 3.89Å; T721-I750 HydrophobicContact CG2-CG1 4.44Å; T721-I750 HydrophobicContact CG2-CG2 3.67Å; P723-I750 HydrophobicContact CB-CG2 3.68Å
751W94.6Very high93.3Very high49 Ų4941.9 Ų41.919%0.18623%0.23CC..EExtended strand (participates in β ladder)trans-105.3131.1163178.5-101.6000108L687 G688 Y689 T721 Q876L687-W751 HydrophobicContact CB-CH2 4.48Å; L687-W751 HydrophobicContact CB-CZ2 3.8Å; G688-W751 VanDerWaalsContact C-CE3 3.47Å; G688-W751 WeakPolarHBondContact O-CA 3.46Å; G688-W751 VanDerWaalsContact O-CE3 3.25Å; Y689-W751 AromaticContact CD1-CE3 3.71Å; Y689-W751 HydrophobicContact CD1-CE3 3.71Å; Y689-W751 HydrophobicContact CD1-CZ3 4.39Å; Y689-W751 HydrophobicContact CD2-CE3 4.13Å; Y689-W751 AromaticContact CD2-CZ3 3.98Å; Y689-W751 HydrophobicContact CD2-CZ3 3.98Å; Y689-W751 HydrophobicContact CE1-CD2 4.46Å; Y689-W751 AromaticContact CE1-CE3 3.55Å; Y689-W751 HydrophobicContact CE1-CE3 3.55Å; Y689-W751 HydrophobicContact CE1-CZ3 4.18Å; Y689-W751 HydrophobicContact CE2-CE3 4.02Å; Y689-W751 AromaticContact CE2-CZ3 3.8Å; Y689-W751 HydrophobicContact CE2-CZ3 3.8Å; Y689-W751 AromaticContact CG-CE3 4Å; Y689-W751 HydrophobicContact CG-CE3 4Å; Y689-W751 HydrophobicContact CG-CZ3 4.29Å; Y689-W751 AromaticContact CZ-CE3 3.73Å; Y689-W751 AromaticContact CZ-CZ3 3.9Å; T721-W751 PolarHBondContact OG1-O 2.93Å; W751-Q876 HydrophobicContact CB-CG 4.47Å; W751-Q876 HydrophobicContact CD2-CB 4.29Å; W751-Q876 HydrophobicContact CD2-CG 3.8Å; W751-Q876 HydrophobicContact CE3-CG 4.1Å; W751-Q876 HydrophobicContact CG-CB 4.04Å; W751-Q876 HydrophobicContact CG-CG 3.96Å
752G93.6Very high93.3Very high0 Ų040 Ų400%022%0.218CC..EExtended strand (participates in β ladder)trans175.7-178.5-174.500000113.7L687 G688L687-G752 WeakPolarHBondContact CA-O 3.17Å; G688-G752 PolarHBondContact N-O 3.35Å; G688-G752 PolarHBondContact O-N 3.2Å; G688-G752 VanDerWaalsContact O-N 3.08Å
753P93.2Very high93.5Very high2 Ų234.4 Ų34.41%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-62.2131.5179.825.8-36.3000111.6N686 L687 L690 L714 F719 Y878N686-P753 WeakPolarHBondContact O-CA 3.48Å; L687-P753 HydrophobicContact CD2-CB 4.38Å; L690-P753 WeakPolarHBondContact CD1-O 3.32Å; L714-P753 HydrophobicContact CD2-CG 4.3Å; F719-P753 HydrophobicContact CD1-CG 4.17Å; F719-P753 HydrophobicContact CE1-CG 3.63Å; F719-P753 HydrophobicContact CZ-CG 4.03Å; P753-Y878 HydrophobicContact CG-CE2 4.25Å
754I91.6Very high93.6Very high41 Ų4127.6 Ų27.621%0.2116%0.161CC..  trans-64.9131.4172.1-65.2177.4000108E684 N686 L785E684-I754 VanDerWaalsContact CA-O 3.22Å; E684-I754 WeakPolarHBondContact CA-O 3.32Å; N686-I754 HydrophobicContact CB-CD1 4.04Å; N686-I754 PolarHBondContact O-N 3.11Å; I754-L785 HydrophobicContact CG2-CB 4.45Å; I754-L785 HydrophobicContact CG2-CD1 3.97Å; I754-L785 HydrophobicContact CG2-CD2 4.21Å; I754-L785 HydrophobicContact CG2-CG 4.43Å
755T90.5Very high93.4Very high2 Ų224.6 Ų24.61%0.01215%0.146CC..  trans-146.1157.3174.463.60000109.5E684 L714 I782 L785E684-T755 HydrophobicContact CG-CG2 4.32Å; E684-T755 WeakPolarHBondContact OE1-CA 3.35Å; E684-T755 WeakPolarHBondContact OE1-CB 3.22Å; E684-T755 WeakPolarHBondContact OE1-CG2 3.47Å; L714-T755 HydrophobicContact CD2-CG2 3.54Å; L714-T755 WeakPolarHBondContact CD2-OG1 3.4Å; T755-I782 WeakPolarHBondContact OG1-CD1 3.43Å; T755-L785 WeakPolarHBondContact O-CD1 3.25Å; T755-L785 WeakPolarHBondContact O-CD2 3.41Å
756P90.1Very high93.1Very high54 Ų5421.5 Ų21.535%0.35113%0.134SC..  trans-49.5141.5-171.5-32.236.2000116.1E684 S759E684-P756 WeakPolarHBondContact OE1-CD 3.48Å; P756-S759 WeakPolarHBondContact O-CB 3.37Å; P756-S759 PolarHBondContact O-N 2.95Å; P756-S759 PolarHBondContact O-OG 2.99Å
757Q91.3Very high92.4Very high116 Ų11621.6 Ų21.654%0.54213%0.134SC..THydrogen-bonded Turntrans-57147.3171.8-67179.9-10.400110.2S759 L783 D784 L785Q757-S759 PolarHBondContact O-N 2.96Å; Q757-L783 WeakPolarHBondContact CG-O 3.4Å; Q757-D784 PolarHBondContact NE2-OD1 3.23Å; Q757-L785 HydrophobicContact CG-CD1 4.19Å; Q757-L785 HydrophobicContact CG-CG 4.11Å
758G90.8Very high91.5Very high53 Ų5323.1 Ų23.155%0.54614%0.14SC..THydrogen-bonded Turntrans80.4-11.7-176.700000115.1G760 V781 I782G758-G760 PolarHBondContact O-N 3.24Å; G758-V781 VanDerWaalsContact C-CG1 3.48Å; G758-V781 WeakPolarHBondContact O-CG1 3.43Å; G758-I782 PolarHBondContact N-O 2.99Å; G758-I782 VanDerWaalsContact N-O 3.08Å
759S91.9Very high90.1Very high21 Ų2125.2 Ų25.215%0.14716%0.162CC..  trans-61.9134.3173.6-76.90000112.1P756 Q757 V781 I782P756-S759 WeakPolarHBondContact O-CB 3.37Å; P756-S759 PolarHBondContact O-N 2.95Å; P756-S759 PolarHBondContact O-OG 2.99Å; Q757-S759 PolarHBondContact O-N 2.96Å; S759-V781 WeakPolarHBondContact O-CA 3.41Å; S759-I782 PolarHBondContact O-N 3.2Å
760G93.7Very high88.5Confident22 Ų2230.1 Ų30.123%0.22720%0.197CC..EExtended strand (participates in β ladder)trans-77.3143.1175.300000112.2G758G758-G760 PolarHBondContact O-N 3.24Å
761F94.8Very high87.2Confident0 Ų034.5 Ų34.50%022%0.215CC..EExtended strand (participates in β ladder)trans-137149.2176.375.3-93.2000112.5V43 M692 L694 F712 S713 L714 G780 V781 I782V43-F761 VanDerWaalsContact CG1-O 3.31Å; V43-F761 WeakPolarHBondContact CG1-O 3.41Å; M692-F761 HydrophobicContact CB-CE1 3.67Å; M692-F761 HydrophobicContact CB-CZ 4.08Å; M692-F761 HydrophobicContact CE-CD1 4.09Å; M692-F761 HydrophobicContact CE-CD2 4.31Å; M692-F761 HydrophobicContact CE-CE1 3.8Å; M692-F761 HydrophobicContact CE-CE2 4.06Å; M692-F761 HydrophobicContact CE-CG 4.34Å; M692-F761 HydrophobicContact CE-CZ 3.78Å; M692-F761 HydrophobicContact CG-CE1 4.38Å; M692-F761 HydrophobicContact CG-CZ 4.33Å; M692-F761 HydrophobicContact SD-CE1 3.98Å; M692-F761 HydrophobicContact SD-CE2 4.01Å; M692-F761 HydrophobicContact SD-CZ 3.52Å; M692-F761 VanDerWaalsContact SD-CZ 3.52Å; L694-F761 HydrophobicContact CB-CZ 4.1Å; L694-F761 HydrophobicContact CD1-CE2 3.98Å; L694-F761 HydrophobicContact CD1-CZ 4.09Å; L694-F761 HydrophobicContact CG-CZ 4.33Å; F712-F761 AromaticContact CD1-CD2 3.59Å; F712-F761 HydrophobicContact CD1-CD2 3.59Å; F712-F761 AromaticContact CD1-CE2 3.8Å; F712-F761 HydrophobicContact CD1-CE2 3.8Å; F712-F761 HydrophobicContact CD1-CG 4.48Å; F712-F761 AromaticContact CE1-CD2 3.93Å; F712-F761 HydrophobicContact CE1-CD2 3.93Å; F712-F761 AromaticContact CE1-CE2 3.61Å; F712-F761 HydrophobicContact CE1-CE2 3.61Å; F712-F761 HydrophobicContact CE1-CZ 4.42Å; S713-F761 WeakPolarHBondContact O-CA 3.16Å; S713-F761 WeakPolarHBondContact O-CB 3.33Å; L714-F761 HydrophobicContact CB-CB 4.1Å; L714-F761 HydrophobicContact CD1-CB 4.17Å; L714-F761 HydrophobicContact CG-CB 4.36Å; F761-G780 VanDerWaalsContact CD1-C 3.46Å; F761-G780 VanDerWaalsContact CE1-CA 3.49Å; F761-G780 PolarHBondContact N-O 3.29Å; F761-G780 PolarHBondContact O-N 3.45Å; F761-V781 VanDerWaalsContact CE1-N 3.26Å; F761-I782 HydrophobicContact CD1-CG1 4.38Å
762L95.1Very high85.9Confident0 Ų037.1 Ų37.10%025%0.248CC..EExtended strand (participates in β ladder)trans-107.9142177.4-169.394.3000109.1I11 I40 V43 F712 S713 V764 I776 T779I11-L762 HydrophobicContact CD1-CD2 3.51Å; I11-L762 HydrophobicContact CG1-CD2 3.82Å; I40-L762 HydrophobicContact CG1-CD1 3.96Å; I40-L762 HydrophobicContact CG1-CD2 3.92Å; V43-L762 HydrophobicContact CG1-CB 4.31Å; V43-L762 HydrophobicContact CG2-CD1 4.44Å; F712-L762 CarbonylContact C-O 3.55Å; F712-L762 WeakPolarHBondContact CA-O 3.33Å; S713-L762 PolarHBondContact N-O 2.91Å; S713-L762 PolarHBondContact O-N 3.36Å; L762-V764 HydrophobicContact CD2-CG2 3.87Å; L762-I776 HydrophobicContact CD1-CD1 4.12Å; L762-I776 HydrophobicContact CD1-CG1 4.19Å; L762-I776 HydrophobicContact CD1-CG2 3.62Å; L762-I776 HydrophobicContact CD2-CG1 4.31Å; L762-I776 HydrophobicContact CG-CG2 4.09Å; L762-T779 HydrophobicContact CD1-CG2 4.33Å
763A95.4Very high85.3Confident0 Ų040.9 Ų40.90%027%0.274CS..EExtended strand (participates in β ladder)trans-124.7127.4172.900000111.8I711 F712 A777 A778I711-A763 CarbonylContact O-C 3.59Å; I711-A763 VanDerWaalsContact O-CA 3.3Å; I711-A763 WeakPolarHBondContact O-CA 3.44Å; F712-A763 HydrophobicContact CD1-CB 4.25Å; F712-A763 HydrophobicContact CE1-CB 4.18Å; A763-A777 WeakPolarHBondContact O-CA 3.21Å; A763-A777 WeakPolarHBondContact O-CB 3.45Å; A763-A777 PolarHBondContact O-N 2.81Å; A763-A778 HydrophobicContact CB-CB 4.18Å; A763-A778 PolarHBondContact N-O 3.46Å; A763-A778 PolarHBondContact O-N 2.73Å; A763-A778 VanDerWaalsContact O-N 3.09Å
764V93.4Very high85.1Confident4 Ų441.2 Ų41.22%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-118.2144.1-179.6177.90000108.8I7 I711 L762 I776I7-V764 HydrophobicContact CD1-CG1 4.4Å; I7-V764 HydrophobicContact CD1-CG2 4Å; I711-V764 PolarHBondContact N-O 3.14Å; I711-V764 PolarHBondContact O-N 2.78Å; L762-V764 HydrophobicContact CD2-CG2 3.87Å; V764-I776 HydrophobicContact CG2-CG1 4.49Å
765Q90.5Very high85.1Confident48 Ų4840.2 Ų40.222%0.22427%0.269CS..SBendtrans-86.7-35.1179.2177.9168.578.700113.4Y700 L710 A777 T899Y700-Q765 VanDerWaalsContact OH-CD 3.26Å; Y700-Q765 PolarHBondContact OH-NE2 2.91Å; Y700-Q765 PolarHBondContact OH-OE1 3.3Å; L710-Q765 HydrophobicContact CD2-CB 4.04Å; L710-Q765 HydrophobicContact CD2-CG 4.36Å; Q765-A777 HydrophobicContact CB-CB 4.41Å; Q765-T899 HydrophobicContact CG-CG2 3.99Å
766S86.9Confident85.2Confident22 Ų2240.1 Ų40.115%0.15427%0.268CS..  trans-160.3116.6-173.8157.20000107.7T768 K771S766-T768 PolarHBondContact OG-OG1 3.43Å; S766-K771 PolarHBondContact OG-NZ 2.81Å
767V81.9Confident85.5Confident5 Ų537.6 Ų37.63%0.0325%0.252CS..  trans-66.8-48.4171.8164.90000109.7I7 N8 I711 G769I7-V767 HydrophobicContact CG2-CB 4.35Å; I7-V767 HydrophobicContact CG2-CG1 4.09Å; I7-V767 HydrophobicContact CG2-CG2 4.15Å; N8-V767 VanDerWaalsContact ND2-CG1 3.33Å; N8-V767 WeakPolarHBondContact ND2-CG1 3.44Å; I711-V767 HydrophobicContact CD1-CG2 3.8Å; V767-G769 PolarHBondContact O-N 3.1Å
768T77.1Confident85.7Confident46 Ų4632 Ų3228%0.28223%0.226SC..SBendtrans-46.2114.8-170.655.20000117.2S766 K771 D892 S893 W894S766-T768 PolarHBondContact OG-OG1 3.43Å; T768-K771 PolarHBondContact O-NZ 2.63Å; T768-D892 WeakPolarHBondContact CA-O 3.44Å; T768-S893 WeakPolarHBondContact CG2-O 3.42Å; T768-W894 WeakPolarHBondContact CG2-O 3.44Å
769G64.9Low85.9Confident44 Ų4431.1 Ų31.145%0.45421%0.21SC..SBendtrans75.6142.2163.900000115.5V767 K771V767-G769 PolarHBondContact O-N 3.1Å; G769-K771 PolarHBondContact O-N 3.5Å; G769-K771 PolarHBondContact O-NZ 2.7Å
770S61.8Low86.1Confident104 Ų10430.7 Ų30.773%0.72721%0.208SC*.  trans-61.7119.9175.6-1730000110.5
771K67.5Low86.1Confident91 Ų9131.6 Ų31.640%0.39621%0.21SC..  trans-117.1134.1174.3-60.4177.6-166.572.60106.5S766 T768 G769 S773S766-K771 PolarHBondContact OG-NZ 2.81Å; T768-K771 PolarHBondContact O-NZ 2.63Å; G769-K771 PolarHBondContact O-N 3.5Å; G769-K771 PolarHBondContact O-NZ 2.7Å; K771-S773 PolarHBondContact O-N 3.09Å
772A67.7Low86.1Confident105 Ų10531.8 Ų31.887%0.86821%0.21SC*.SBendtrans-69.834.5173.300000113.3
773S81.3Confident86Confident78 Ų7835.2 Ų35.255%0.54523%0.228SC..SBendtrans-149.2128.6-174.2-63.60000109.1K771 R775K771-S773 PolarHBondContact O-N 3.09Å; S773-R775 PolarHBondContact O-N 2.98Å
774F89.6Confident85.6Confident10 Ų1038.6 Ų38.64%0.04425%0.246CC..  trans-46116.5-174.7-163.9-102.7000112.9M32 F35 E36 N39 H697 W699 Y700 I776M32-F774 HydrophobicContact CE-CB 3.69Å; M32-F774 HydrophobicContact CE-CD2 3.94Å; M32-F774 HydrophobicContact CE-CG 4.31Å; F35-F774 HydrophobicContact CB-CE2 4.45Å; E36-F774 HydrophobicContact CB-CE2 4.35Å; E36-F774 HydrophobicContact CG-CD2 3.62Å; E36-F774 HydrophobicContact CG-CE2 3.41Å; E36-F774 VanDerWaalsContact CG-CE2 3.41Å; E36-F774 HydrophobicContact CG-CG 4.42Å; E36-F774 HydrophobicContact CG-CZ 4.06Å; E36-F774 WeakPolarHBondContact OE1-CA 3.28Å; N39-F774 HydrophobicContact CB-CZ 4.35Å; H697-F774 HydrophobicContact CB-CE1 4.35Å; H697-F774 AromaticContact CE1-CE1 3.28Å; H697-F774 WeakPolarHBondContact CE1-CE1 3.07Å; H697-F774 AromaticContact CE1-CZ 3.39Å; H697-F774 WeakPolarHBondContact CE1-CZ 3.34Å; H697-F774 AromaticContact CG-CE1 3.61Å; H697-F774 AromaticContact ND1-CD1 3.57Å; H697-F774 AromaticContact ND1-CE1 2.92Å; H697-F774 WeakPolarHBondContact ND1-CE1 3.28Å; H697-F774 AromaticContact ND1-CZ 3.59Å; W699-F774 HydrophobicContact CB-CB 4.4Å; W699-F774 HydrophobicContact CB-CD1 4.12Å; W699-F774 HydrophobicContact CB-CD2 4.38Å; W699-F774 HydrophobicContact CB-CE1 4.49Å; W699-F774 HydrophobicContact CB-CG 4.06Å; W699-F774 HydrophobicContact CE3-CD2 4.26Å; W699-F774 AromaticContact CE3-CE2 3.75Å; W699-F774 HydrophobicContact CE3-CE2 3.75Å; W699-F774 HydrophobicContact CE3-CZ 4.03Å; W699-F774 HydrophobicContact CZ3-CE2 4.4Å; Y700-F774 WeakPolarHBondContact CD2-O 3.43Å; F774-I776 HydrophobicContact CD1-CB 4.16Å; F774-I776 VanDerWaalsContact CD1-O 3.28Å; F774-I776 WeakPolarHBondContact CD1-O 3.35Å; F774-I776 HydrophobicContact CE1-CB 3.54Å; F774-I776 HydrophobicContact CE1-CD1 4.31Å; F774-I776 HydrophobicContact CE1-CG1 4.39Å; F774-I776 HydrophobicContact CE1-CG2 4.21Å; F774-I776 WeakPolarHBondContact CE1-O 3.48Å; F774-I776 HydrophobicContact CZ-CB 4.09Å; F774-I776 HydrophobicContact CZ-CD1 3.96Å
775R90.9Very high85.1Confident20 Ų2041.2 Ų41.28%0.07526%0.26CS..  trans-72-36.5-171.8-66.4-176.2-78-162.6-5.8112.8N5 I7 E33 E36 S773 A777N5-R775 PolarHBondContact O-NH1 3.5Å; I7-R775 HydrophobicContact CD1-CB 3.74Å; E33-R775 IonicContact OE1-NH2 2.91Å; E36-R775 WeakPolarHBondContact OE1-CB 3.29Å; E36-R775 PolarHBondContact OE1-N 3.31Å; E36-R775 IonicContact OE1-NE 2.77Å; E36-R775 IonicContact OE2-CZ 2.72Å; E36-R775 VanDerWaalsContact OE2-CZ 3.23Å; E36-R775 IonicContact OE2-NE 3.83Å; E36-R775 PolarHBondContact OE2-NE 2.62Å; E36-R775 IonicContact OE2-NH2 2.64Å; E36-R775 PolarHBondContact OE2-NH2 2.91Å; S773-R775 PolarHBondContact O-N 2.98Å; R775-A777 PolarHBondContact O-N 2.82Å
776I93.6Very high84.6Confident0 Ų041.7 Ų41.70%026%0.264CS..EExtended strand (participates in β ladder)trans-71.4118.2-177.3-59.4160.4000109.9I7 E36 N39 I40 L762 V764 F774 T779I7-I776 HydrophobicContact CD1-CG1 4.2Å; E36-I776 HydrophobicContact CB-CD1 3.81Å; E36-I776 HydrophobicContact CG-CD1 3.94Å; E36-I776 HydrophobicContact CG-CG1 4.39Å; E36-I776 WeakPolarHBondContact O-CD1 3.36Å; N39-I776 HydrophobicContact CB-CD1 4.34Å; I40-I776 HydrophobicContact CD1-CD1 4.18Å; I40-I776 HydrophobicContact CG1-CD1 3.76Å; L762-I776 HydrophobicContact CD1-CD1 4.12Å; L762-I776 HydrophobicContact CD1-CG1 4.19Å; L762-I776 HydrophobicContact CD1-CG2 3.62Å; L762-I776 HydrophobicContact CD2-CG1 4.31Å; L762-I776 HydrophobicContact CG-CG2 4.09Å; V764-I776 HydrophobicContact CG2-CG1 4.49Å; F774-I776 HydrophobicContact CD1-CB 4.16Å; F774-I776 VanDerWaalsContact CD1-O 3.28Å; F774-I776 WeakPolarHBondContact CD1-O 3.35Å; F774-I776 HydrophobicContact CE1-CB 3.54Å; F774-I776 HydrophobicContact CE1-CD1 4.31Å; F774-I776 HydrophobicContact CE1-CG1 4.39Å; F774-I776 HydrophobicContact CE1-CG2 4.21Å; F774-I776 WeakPolarHBondContact CE1-O 3.48Å; F774-I776 HydrophobicContact CZ-CB 4.09Å; F774-I776 HydrophobicContact CZ-CD1 3.96Å; I776-T779 HydrophobicContact CG2-CG2 4.33Å
777A94.4Very high83.9Confident0 Ų050.1 Ų50.10%030%0.298CS..EExtended strand (participates in β ladder)trans-91.8-40.6-169.200000113.1H697 Y700 L704 A763 Q765 R775H697-A777 PolarHBondContact N-O 2.88Å; Y700-A777 HydrophobicContact CD1-CB 4.41Å; Y700-A777 HydrophobicContact CD2-CB 4.2Å; Y700-A777 HydrophobicContact CE1-CB 4.26Å; Y700-A777 HydrophobicContact CE2-CB 4.03Å; Y700-A777 HydrophobicContact CG-CB 4.4Å; L704-A777 HydrophobicContact CD1-CB 4.23Å; L704-A777 HydrophobicContact CD2-CB 3.94Å; A763-A777 WeakPolarHBondContact O-CA 3.21Å; A763-A777 WeakPolarHBondContact O-CB 3.45Å; A763-A777 PolarHBondContact O-N 2.81Å; Q765-A777 HydrophobicContact CB-CB 4.41Å; R775-A777 PolarHBondContact O-N 2.82Å
778A95.8Very high84Confident0 Ų053.7 Ų53.70%032%0.323CS..EExtended strand (participates in β ladder)trans-152.9161.8177.900000111.8L694 K695 L704 A763L694-A778 HydrophobicContact CD1-CB 4.14Å; L694-A778 HydrophobicContact CD2-CB 3.78Å; L694-A778 HydrophobicContact CG-CB 3.89Å; K695-A778 VanDerWaalsContact O-CA 3.28Å; K695-A778 WeakPolarHBondContact O-CA 3.09Å; K695-A778 WeakPolarHBondContact O-CB 3.42Å; L704-A778 HydrophobicContact CD1-CB 3.58Å; A763-A778 HydrophobicContact CB-CB 4.18Å; A763-A778 PolarHBondContact N-O 3.46Å; A763-A778 PolarHBondContact O-N 2.73Å; A763-A778 VanDerWaalsContact O-N 3.09Å
779T95.9Very high84.4Confident34 Ų3452.4 Ų52.421%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-130.4158.1172.262.20000109.1V43 K695 L762 I776V43-T779 HydrophobicContact CG2-CG2 3.59Å; K695-T779 PolarHBondContact N-O 3.19Å; K695-T779 PolarHBondContact O-N 3.22Å; L762-T779 HydrophobicContact CD1-CG2 4.33Å; I776-T779 HydrophobicContact CG2-CG2 4.33Å
780G95.2Very high85.6Confident11 Ų1155.6 Ų55.611%0.11333%0.326CS..EExtended strand (participates in β ladder)trans-173.3-173.7178.600000114.2R693 F761R693-G780 WeakPolarHBondContact O-CA 3.42Å; F761-G780 VanDerWaalsContact CD1-C 3.46Å; F761-G780 VanDerWaalsContact CE1-CA 3.49Å; F761-G780 PolarHBondContact N-O 3.29Å; F761-G780 PolarHBondContact O-N 3.45Å
781V95.4Very high87.1Confident42 Ų4250.7 Ų50.726%0.25529%0.292SS..EExtended strand (participates in β ladder)trans-134.6142.2-179.8-160.10000108.8R693 G758 S759 F761R693-V781 PolarHBondContact N-O 2.84Å; R693-V781 PolarHBondContact O-N 3.07Å; G758-V781 VanDerWaalsContact C-CG1 3.48Å; G758-V781 WeakPolarHBondContact O-CG1 3.43Å; S759-V781 WeakPolarHBondContact O-CA 3.41Å; F761-V781 VanDerWaalsContact CE1-N 3.26Å
782I94.6Very high88.5Confident3 Ų347.6 Ų47.62%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-68.2136.3170.9-58.9178.4000109.1L714 T755 G758 S759 F761 L785L714-I782 HydrophobicContact CD1-CD1 3.82Å; L714-I782 HydrophobicContact CD1-CG1 4.27Å; L714-I782 HydrophobicContact CD2-CD1 4.4Å; L714-I782 HydrophobicContact CG-CD1 4.07Å; T755-I782 WeakPolarHBondContact OG1-CD1 3.43Å; G758-I782 PolarHBondContact N-O 2.99Å; G758-I782 VanDerWaalsContact N-O 3.08Å; S759-I782 PolarHBondContact O-N 3.2Å; F761-I782 HydrophobicContact CD1-CG1 4.38Å; I782-L785 HydrophobicContact CG2-CD2 3.96Å
783L92.1Very high89.8Confident73 Ų7348 Ų4838%0.38226%0.263SS..EExtended strand (participates in β ladder)trans-101.7-50.5174.6-65.6179.7000111.2Q691 R693 Q757Q691-L783 WeakPolarHBondContact O-CB 3.49Å; Q691-L783 PolarHBondContact O-N 3.16Å; R693-L783 HydrophobicContact CB-CD1 3.97Å; R693-L783 HydrophobicContact CB-CD2 3.95Å; R693-L783 HydrophobicContact CB-CG 3.88Å; Q757-L783 WeakPolarHBondContact CG-O 3.4Å
784D87.6Confident90.5Very high70 Ų7048.4 Ų48.437%0.37425%0.254SS..EExtended strand (participates in β ladder)trans-153.7158.2-168.7-148.1-9.6000113.6Q691 Q757Q691-D784 HydrophobicContact CB-CB 4.23Å; Q691-D784 PolarHBondContact N-O 2.79Å; Q691-D784 PolarHBondContact O-N 2.9Å; Q757-D784 PolarHBondContact NE2-OD1 3.23Å
785L83.1Confident90.7Very high59 Ų5951.4 Ų51.431%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-123.791.9-166.6-58.3178.1000110L690 I754 T755 Q757 I782L690-L785 HydrophobicContact CD2-CD2 3.52Å; I754-L785 HydrophobicContact CG2-CB 4.45Å; I754-L785 HydrophobicContact CG2-CD1 3.97Å; I754-L785 HydrophobicContact CG2-CD2 4.21Å; I754-L785 HydrophobicContact CG2-CG 4.43Å; T755-L785 WeakPolarHBondContact O-CD1 3.25Å; T755-L785 WeakPolarHBondContact O-CD2 3.41Å; Q757-L785 HydrophobicContact CG-CD1 4.19Å; Q757-L785 HydrophobicContact CG-CG 4.11Å; I782-L785 HydrophobicContact CG2-CD2 3.96Å
786D78.3Confident90.9Very high59 Ų5956.3 Ų56.332%0.31629%0.292SS..EExtended strand (participates in β ladder)trans-116.2140.9-158.5-155.4-19.2000112Y689 S788 V789Y689-D786 WeakPolarHBondContact CB-O 3.35Å; Y689-D786 PolarHBondContact N-O 2.9Å; Y689-D786 VanDerWaalsContact N-O 3.15Å; Y689-D786 PolarHBondContact O-N 2.98Å; D786-S788 VanDerWaalsContact C-N 3.33Å; D786-S788 PolarHBondContact OD1-N 3.45Å; D786-S788 VanDerWaalsContact OD1-N 3.17Å; D786-V789 HydrophobicContact CB-CG2 3.87Å
787K73.9Confident91Very high199 Ų19958.3 Ų58.387%0.86530%0.303SS*.SBendtrans-78.6-18.7173-71.2-175.6179.1178.40111.7Y689Y689-K787 WeakPolarHBondContact CD2-O 3.46Å
788S83.2Confident91.2Very high79 Ų7962 Ų6255%0.55232%0.322SS*.  trans-164.1123172.762.30000114.4D786D786-S788 VanDerWaalsContact C-N 3.33Å; D786-S788 PolarHBondContact OD1-N 3.45Å; D786-S788 VanDerWaalsContact OD1-N 3.17Å
789V85.3Confident91.2Very high19 Ų1962 Ų6212%0.11532%0.322CS..  trans-104125179.5-171.90000112.9D786 I791D786-V789 HydrophobicContact CB-CG2 3.87Å; V789-I791 HydrophobicContact CG1-CG1 4.16Å; V789-I791 PolarHBondContact O-N 2.87Å
790T90.3Very high91.2Very high112 Ų11266.4 Ų66.469%0.68734%0.335SS*.  trans-90.767.3-175.255.50000114.6V792T790-V792 PolarHBondContact O-N 3.33Å
791I94.4Very high91.2Very high1 Ų166.4 Ų66.41%0.00533%0.333CS..  trans-68.1131.5175.5-63.5179.9000111.6L724 H734 L736 V789 P871 V872 V874L724-I791 HydrophobicContact CB-CD1 3.58Å; L724-I791 HydrophobicContact CD1-CD1 4.13Å; L724-I791 HydrophobicContact CG-CD1 4.49Å; H734-I791 HydrophobicContact CB-CG1 4.38Å; L736-I791 HydrophobicContact CB-CG2 3.72Å; L736-I791 HydrophobicContact CD1-CG2 3.87Å; L736-I791 HydrophobicContact CG-CG2 4.31Å; V789-I791 HydrophobicContact CG1-CG1 4.16Å; V789-I791 PolarHBondContact O-N 2.87Å; I791-P871 CarbonylContact O-C 3.33Å; I791-P871 WeakPolarHBondContact O-CA 3.48Å; I791-V872 PolarHBondContact O-N 2.68Å; I791-V874 HydrophobicContact CD1-CG2 4.08Å
792V95.7Very high91.1Very high25 Ų2569.5 Ų69.515%0.15234%0.344CS..EExtended strand (participates in β ladder)trans-115.2129.9178.3-67.60000113.6R733 H734 R735 L736 T790 W869R733-V792 HydrophobicContact CB-CG2 4.32Å; H734-V792 PolarHBondContact O-N 3.17Å; R735-V792 CarbonylContact C-O 3.59Å; R735-V792 WeakPolarHBondContact CA-O 3.34Å; L736-V792 PolarHBondContact N-O 2.73Å; T790-V792 PolarHBondContact O-N 3.33Å; V792-W869 HydrophobicContact CB-CB 4.39Å; V792-W869 HydrophobicContact CB-CE3 4.37Å; V792-W869 HydrophobicContact CG2-CE3 3.97Å; V792-W869 HydrophobicContact CG2-CZ3 4.45Å
793K95.9Very high91.1Very high115 Ų11574.5 Ų74.550%0.537%0.365SS..EExtended strand (participates in β ladder)trans-94.8129172.3-173.7178.5-177-178.80110.3L736 L795 Y870 V872L736-K793 HydrophobicContact CB-CB 4.3Å; L736-K793 HydrophobicContact CD2-CB 3.95Å; L736-K793 HydrophobicContact CD2-CD 4Å; L736-K793 HydrophobicContact CD2-CG 4.02Å; K793-L795 PolarHBondContact O-N 2.71Å; K793-Y870 PolarHBondContact N-O 2.89Å; K793-Y870 PolarHBondContact O-N 2.99Å; K793-V872 HydrophobicContact CB-CG2 3.6Å; K793-V872 HydrophobicContact CD-CG2 4.2Å
794K94.9Very high91.3Very high86 Ų8672.2 Ų72.237%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-71.4119.8177.4-161.7172.1-152.3140.50110.6W869K794-W869 HydrophobicContact CB-CE3 3.93Å; K794-W869 HydrophobicContact CB-CH2 4.3Å; K794-W869 HydrophobicContact CB-CZ3 3.65Å; K794-W869 HydrophobicContact CD-CH2 3.86Å; K794-W869 HydrophobicContact CD-CZ2 4.43Å; K794-W869 HydrophobicContact CD-CZ3 4.08Å; K794-W869 HydrophobicContact CG-CE3 4.12Å; K794-W869 HydrophobicContact CG-CH2 3.98Å; K794-W869 HydrophobicContact CG-CZ2 4.41Å; K794-W869 HydrophobicContact CG-CZ3 3.8Å
795L95Very high91.7Very high73 Ų7373 Ų7338%0.38235%0.354SS..EExtended strand (participates in β ladder)trans-109.2146.8175.2-166.2145.6000109.3K793 L797 S868K793-L795 PolarHBondContact O-N 2.71Å; L795-L797 HydrophobicContact CD2-CD2 3.52Å; L795-L797 HydrophobicContact CD2-CG 3.86Å; L795-S868 WeakPolarHBondContact CD2-OG 3.31Å; L795-S868 PolarHBondContact N-O 3.19Å; L795-S868 PolarHBondContact O-N 2.98Å; L795-S868 VanDerWaalsContact O-O 3.04Å
796K95.1Very high92.1Very high122 Ų12278 Ų7853%0.5337%0.373SS..EExtended strand (participates in β ladder)trans-126116.2173.2-67.9-176.3-173.7175.70108.5I798 L866K796-I798 HydrophobicContact CB-CG1 4.45Å; K796-L866 WeakPolarHBondContact CA-O 3.29Å
797L95.9Very high92.9Very high43 Ų4378.1 Ų78.123%0.22537%0.373CS..EExtended strand (participates in β ladder)trans-82.3133.3164-54.5173.7000106.9L795 M814 F815 F824 F865 L866L795-L797 HydrophobicContact CD2-CD2 3.52Å; L795-L797 HydrophobicContact CD2-CG 3.86Å; L797-M814 HydrophobicContact CB-CG 3.55Å; L797-M814 HydrophobicContact CB-SD 4.19Å; L797-F815 HydrophobicContact CD1-CD1 4.33Å; L797-F815 HydrophobicContact CD1-CE1 3.45Å; L797-F815 VanDerWaalsContact CD1-CE1 3.45Å; L797-F815 HydrophobicContact CD1-CZ 3.92Å; L797-F824 HydrophobicContact CD1-CE2 4.35Å; L797-F824 HydrophobicContact CD1-CZ 4.43Å; L797-F865 CarbonylContact O-C 3.57Å; L797-F865 WeakPolarHBondContact O-CA 3.17Å; L797-F865 WeakPolarHBondContact O-CB 3.42Å; L797-L866 HydrophobicContact CB-CB 4.33Å; L797-L866 HydrophobicContact CD1-CD2 4.38Å; L797-L866 PolarHBondContact N-O 2.92Å; L797-L866 PolarHBondContact O-N 2.99Å
798I96.7Very high93.9Very high78 Ų7871 Ų7140%0.435%0.347SS..EExtended strand (participates in β ladder)trans-119.1132.6-170.8-65.1177.5000108.3K796 Y800 G813 M814 I863K796-I798 HydrophobicContact CB-CG1 4.45Å; I798-Y800 HydrophobicContact CG2-CE2 4.24Å; I798-G813 CarbonylContact O-C 3.56Å; I798-G813 VanDerWaalsContact O-O 3.07Å; I798-M814 VanDerWaalsContact O-CA 3.23Å; I798-M814 WeakPolarHBondContact O-CA 3.36Å; I798-I863 HydrophobicContact CG2-CG2 3.49Å; I798-I863 VanDerWaalsContact CG2-CG2 3.49Å
799G95.8Very high94.6Very high0 Ų067.3 Ų67.30%032%0.321CS..EExtended strand (participates in β ladder)trans-142.1159.717800000112.3K812 V864G799-K812 WeakPolarHBondContact CA-O 3.39Å; G799-V864 PolarHBondContact N-O 2.91Å; G799-V864 WeakPolarHBondContact O-CB 3.21Å; G799-V864 PolarHBondContact O-N 2.87Å; G799-V864 VanDerWaalsContact O-O 3.12Å
800Y96.4Very high95.1Very high125 Ų12568.8 Ų68.849%0.4933%0.326SS..EExtended strand (participates in β ladder)trans-117.3137.5-173.6-59.4-88.2000110.6I798 F802 V811 K812 I863I798-Y800 HydrophobicContact CG2-CE2 4.24Å; Y800-F802 PolarHBondContact O-N 3.04Å; Y800-V811 WeakPolarHBondContact O-CA 3.31Å; Y800-K812 PolarHBondContact N-O 3.36Å; Y800-K812 PolarHBondContact O-N 3.37Å; Y800-I863 HydrophobicContact CD1-CG1 4.34Å; Y800-I863 HydrophobicContact CE1-CD1 4.18Å; Y800-I863 HydrophobicContact CE1-CG1 3.93Å; Y800-I863 HydrophobicContact CE1-CG2 4.43Å
801P96.5Very high95.4Very high11 Ų1163.5 Ų63.57%0.07129%0.293CS..EExtended strand (participates in β ladder)trans-66.5131.6174.829.7-34.4000109.9I804 C809 L858 D862P801-I804 HydrophobicContact CB-CD1 3.89Å; P801-I804 HydrophobicContact CB-CG1 3.92Å; P801-I804 HydrophobicContact CG-CD1 4.26Å; P801-C809 WeakPolarHBondContact CB-SG 3.28Å; P801-L858 HydrophobicContact CB-CD2 4.5Å; P801-D862 WeakPolarHBondContact CD-O 3.43Å; P801-D862 WeakPolarHBondContact CG-O 3.34Å
802F92.4Very high95.4Very high107 Ų10768.1 Ų68.147%0.46931%0.313SS..EExtended strand (participates in β ladder)trans-108.5-39176.7165.5-120.8000112Y800 F810 K812Y800-F802 PolarHBondContact O-N 3.04Å; F802-F810 PolarHBondContact N-O 3.45Å; F802-K812 HydrophobicContact CB-CD 4.03Å; F802-K812 HydrophobicContact CB-CG 4.11Å; F802-K812 HydrophobicContact CG-CD 4.36Å
803K94.9Very high95.3Very high108 Ų10869.7 Ų69.747%0.4733%0.334SS..EExtended strand (participates in β ladder)trans-137.8122.6176.8-165170.8-175172.60109.6F805 C809 F810K803-F805 HydrophobicContact CD-CE2 4.27Å; K803-F805 HydrophobicContact CD-CZ 3.89Å; K803-F805 HydrophobicContact CG-CE2 4.07Å; K803-F805 HydrophobicContact CG-CZ 4.05Å; K803-C809 CarbonylContact O-C 3.57Å; K803-C809 WeakPolarHBondContact O-CA 3.35Å; K803-F810 HydrophobicContact CB-CB 4.16Å; K803-F810 HydrophobicContact CB-CD2 3.98Å; K803-F810 HydrophobicContact CB-CG 4.32Å; K803-F810 HydrophobicContact CD-CD2 4.2Å; K803-F810 HydrophobicContact CD-CE2 4.32Å; K803-F810 PolarHBondContact N-O 3.27Å; K803-F810 PolarHBondContact O-N 3.29Å
804I95.9Very high95.2Very high25 Ų2564.9 Ų64.913%0.12831%0.314CS..EExtended strand (participates in β ladder)trans-117.6126.9-173.1-54.9174.3000109.4P801 R857 L858 L859 M860P801-I804 HydrophobicContact CB-CD1 3.89Å; P801-I804 HydrophobicContact CB-CG1 3.92Å; P801-I804 HydrophobicContact CG-CD1 4.26Å; I804-R857 HydrophobicContact CG2-CG 3.97Å; I804-L858 HydrophobicContact CD1-CB 4Å; I804-L858 HydrophobicContact CG2-CB 4.31Å; I804-L859 VanDerWaalsContact CD1-C 3.41Å; I804-M860 HydrophobicContact CB-CE 4.46Å; I804-M860 HydrophobicContact CD1-CE 4.16Å; I804-M860 HydrophobicContact CD1-CG 3.92Å; I804-M860 HydrophobicContact CD1-SD 3.5Å; I804-M860 VanDerWaalsContact CD1-SD 3.5Å; I804-M860 HydrophobicContact CG1-CE 4.04Å; I804-M860 HydrophobicContact CG1-SD 3.85Å
805F95.3Very high95.3Very high88 Ų8861.1 Ų61.139%0.38630%0.297SS..  trans-104-142.7173.5-57.9-88.4000109.6K803 T808 F810 R857K803-F805 HydrophobicContact CD-CE2 4.27Å; K803-F805 HydrophobicContact CD-CZ 3.89Å; K803-F805 HydrophobicContact CG-CE2 4.07Å; K803-F805 HydrophobicContact CG-CZ 4.05Å; F805-T808 WeakPolarHBondContact CB-O 3.28Å; F805-T808 WeakPolarHBondContact CB-OG1 2.92Å; F805-T808 PolarHBondContact N-O 3.07Å; F805-F810 HydrophobicContact CE2-CD1 4.41Å; F805-F810 HydrophobicContact CE2-CD2 4.47Å; F805-F810 HydrophobicContact CE2-CE1 4.07Å; F805-F810 HydrophobicContact CE2-CE2 4.15Å; F805-F810 AromaticContact CE2-CZ 3.94Å; F805-F810 HydrophobicContact CE2-CZ 3.94Å; F805-F810 HydrophobicContact CZ-CE2 4.42Å; F805-F810 HydrophobicContact CZ-CZ 4.35Å; F805-R857 WeakPolarHBondContact O-CG 3.44Å; F805-R857 PolarHBondContact O-NE 3.16Å
806K93.1Very high95.3Very high163 Ų16363.8 Ų63.871%0.70931%0.312SS*.SBendtrans-77.5-68.2174.7-163.4-172.2177.3-173.50110.9R857K806-R857 VanDerWaalsContact O-CA 3.24Å; K806-R857 WeakPolarHBondContact O-CA 3.45Å; K806-R857 VanDerWaalsContact O-CB 3.27Å; K806-R857 WeakPolarHBondContact O-CB 3.4Å
807N94.7Very high95.3Very high62 Ų6260.9 Ų60.933%0.33231%0.305SS..SBendtrans-113.2-6.7179.6-72.576.4000113.2T853 F854 E855N807-T853 CarbonylContact O-C 3.56Å; N807-T853 WeakPolarHBondContact O-CA 3.49Å; N807-F854 PolarHBondContact ND2-O 3.4Å; N807-F854 PolarHBondContact O-N 2.88Å; N807-E855 PolarHBondContact ND2-O 3.11Å
808T95.4Very high95.3Very high50 Ų5061.9 Ų61.931%0.30731%0.313SS..EExtended strand (participates in β ladder)trans-104.8145.917641.70000111.3F805 A852 T853F805-T808 WeakPolarHBondContact CB-O 3.28Å; F805-T808 WeakPolarHBondContact CB-OG1 2.92Å; F805-T808 PolarHBondContact N-O 3.07Å; T808-A852 WeakPolarHBondContact CA-O 3.23Å; T808-T853 HydrophobicContact CG2-CG2 3.73Å
809C96Very high95.1Very high0 Ų065 Ų650%033%0.329CS..EExtended strand (participates in β ladder)trans-141143.5176.5-177.50000110.1P801 K803 A852 F854 L858P801-C809 WeakPolarHBondContact CB-SG 3.28Å; K803-C809 CarbonylContact O-C 3.57Å; K803-C809 WeakPolarHBondContact O-CA 3.35Å; C809-A852 PolarHBondContact N-O 2.85Å; C809-A852 PolarHBondContact O-N 2.87Å; C809-F854 HydrophobicContact CB-CD2 4.13Å; C809-F854 HydrophobicContact CB-CE2 3.93Å; C809-L858 HydrophobicContact CB-CD1 4.3Å
810F96.2Very high95.1Very high51 Ų5167.8 Ų67.822%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-97.6121.9166.7-60.3-13.2000108.5F802 K803 F805 L843 F850 R851F802-F810 PolarHBondContact N-O 3.45Å; K803-F810 HydrophobicContact CB-CB 4.16Å; K803-F810 HydrophobicContact CB-CD2 3.98Å; K803-F810 HydrophobicContact CB-CG 4.32Å; K803-F810 HydrophobicContact CD-CD2 4.2Å; K803-F810 HydrophobicContact CD-CE2 4.32Å; K803-F810 PolarHBondContact N-O 3.27Å; K803-F810 PolarHBondContact O-N 3.29Å; F805-F810 HydrophobicContact CE2-CD1 4.41Å; F805-F810 HydrophobicContact CE2-CD2 4.47Å; F805-F810 HydrophobicContact CE2-CE1 4.07Å; F805-F810 HydrophobicContact CE2-CE2 4.15Å; F805-F810 AromaticContact CE2-CZ 3.94Å; F805-F810 HydrophobicContact CE2-CZ 3.94Å; F805-F810 HydrophobicContact CZ-CE2 4.42Å; F805-F810 HydrophobicContact CZ-CZ 4.35Å; F810-L843 HydrophobicContact CB-CD1 3.92Å; F810-L843 HydrophobicContact CD1-CD1 4.08Å; F810-L843 HydrophobicContact CD2-CD1 4.01Å; F810-L843 HydrophobicContact CE1-CD2 4.48Å; F810-L843 HydrophobicContact CG-CD1 3.75Å; F810-L843 HydrophobicContact CZ-CD2 4.5Å; F810-F850 WeakPolarHBondContact CA-O 3.35Å; F810-R851 HydrophobicContact CD1-CB 4.02Å; F810-R851 HydrophobicContact CD1-CG 4.16Å; F810-R851 HydrophobicContact CE1-CB 4.01Å; F810-R851 HydrophobicContact CE1-CG 3.91Å
811V96.3Very high95Very high0 Ų061.8 Ų61.80%032%0.319CS..EExtended strand (participates in β ladder)trans-111.5141.8-175.4-177.40000109Y800 A849 F850 V864Y800-V811 WeakPolarHBondContact O-CA 3.31Å; V811-A849 VanDerWaalsContact O-CA 3.26Å; V811-A849 WeakPolarHBondContact O-CA 3.37Å; V811-F850 HydrophobicContact CB-CD1 4.35Å; V811-F850 HydrophobicContact CB-CD2 4.28Å; V811-F850 HydrophobicContact CB-CE1 3.88Å; V811-F850 HydrophobicContact CB-CE2 3.79Å; V811-F850 HydrophobicContact CB-CZ 3.59Å; V811-F850 HydrophobicContact CG1-CE1 3.88Å; V811-F850 HydrophobicContact CG1-CE2 4.34Å; V811-F850 HydrophobicContact CG1-CZ 3.66Å; V811-F850 HydrophobicContact CG2-CE2 4Å; V811-F850 HydrophobicContact CG2-CZ 4.15Å; V811-F850 PolarHBondContact N-O 3.2Å; V811-F850 PolarHBondContact O-N 2.92Å; V811-V864 HydrophobicContact CG1-CB 4.28Å; V811-V864 HydrophobicContact CG1-CG2 4.35Å; V811-V864 HydrophobicContact CG2-CG2 4.07Å
812K94.8Very high95Very high98 Ų9864 Ų6443%0.42634%0.338SS..EExtended strand (participates in β ladder)trans-129.6160.6177.567.1174.2-177.9172.60112.2G799 Y800 F802 M814 A849G799-K812 WeakPolarHBondContact CA-O 3.39Å; Y800-K812 PolarHBondContact N-O 3.36Å; Y800-K812 PolarHBondContact O-N 3.37Å; F802-K812 HydrophobicContact CB-CD 4.03Å; F802-K812 HydrophobicContact CB-CG 4.11Å; F802-K812 HydrophobicContact CG-CD 4.36Å; K812-M814 PolarHBondContact O-N 3.29Å; K812-A849 HydrophobicContact CB-CB 4.36Å
813G93.3Very high95.1Very high58 Ų5867.4 Ų67.460%0.59835%0.353SS*.SBendtrans78.59.4172.100000116.2I798I798-G813 CarbonylContact O-C 3.56Å; I798-G813 VanDerWaalsContact O-O 3.07Å
814M95.4Very high95.1Very high14 Ų1465.3 Ų65.37%0.06934%0.344CS..SBendtrans-91.3-26.6172.7-170.4175.5-71.800113L797 I798 K812 F850 V864 L866L797-M814 HydrophobicContact CB-CG 3.55Å; L797-M814 HydrophobicContact CB-SD 4.19Å; I798-M814 VanDerWaalsContact O-CA 3.23Å; I798-M814 WeakPolarHBondContact O-CA 3.36Å; K812-M814 PolarHBondContact O-N 3.29Å; M814-F850 HydrophobicContact CB-CE1 3.95Å; M814-F850 HydrophobicContact CE-CZ 4.22Å; M814-F850 HydrophobicContact CG-CE1 4.46Å; M814-F850 HydrophobicContact SD-CE1 3.94Å; M814-F850 HydrophobicContact SD-CZ 3.84Å; M814-V864 HydrophobicContact CE-CB 4.25Å; M814-V864 HydrophobicContact CE-CG1 4Å; M814-V864 WeakPolarHBondContact CE-O 3.42Å; M814-L866 HydrophobicContact SD-CB 3.98Å
815F95.9Very high95.1Very high7 Ų768.6 Ų68.63%0.03136%0.358CS..  trans-139156.1-178.1-58.6-69.7000107.9L797 E820 V821 F824 I839 G848 F850 L866L797-F815 HydrophobicContact CD1-CD1 4.33Å; L797-F815 HydrophobicContact CD1-CE1 3.45Å; L797-F815 VanDerWaalsContact CD1-CE1 3.45Å; L797-F815 HydrophobicContact CD1-CZ 3.92Å; F815-E820 VanDerWaalsContact CA-OE2 3.28Å; F815-E820 WeakPolarHBondContact CA-OE2 3.29Å; F815-E820 HydrophobicContact CB-CB 3.99Å; F815-E820 WeakPolarHBondContact CB-OE2 3.46Å; F815-E820 HydrophobicContact CD1-CB 3.76Å; F815-E820 HydrophobicContact CG-CB 4.14Å; F815-V821 HydrophobicContact CB-CG2 3.89Å; F815-V821 HydrophobicContact CD2-CG2 3.72Å; F815-V821 HydrophobicContact CG-CG2 4.01Å; F815-F824 HydrophobicContact CD1-CD2 4.28Å; F815-F824 HydrophobicContact CE1-CB 4.34Å; F815-F824 AromaticContact CE1-CD2 3.28Å; F815-F824 HydrophobicContact CE1-CD2 3.28Å; F815-F824 AromaticContact CE1-CE2 3.75Å; F815-F824 HydrophobicContact CE1-CE2 3.75Å; F815-F824 AromaticContact CE1-CG 3.99Å; F815-F824 HydrophobicContact CE1-CG 3.99Å; F815-F824 HydrophobicContact CE2-CB 4.49Å; F815-F824 HydrophobicContact CZ-CB 3.77Å; F815-F824 AromaticContact CZ-CD2 3.6Å; F815-F824 HydrophobicContact CZ-CD2 3.6Å; F815-F824 HydrophobicContact CZ-CE2 4.4Å; F815-F824 AromaticContact CZ-CG 3.81Å; F815-F824 HydrophobicContact CZ-CG 3.81Å; F815-I839 HydrophobicContact CE2-CD1 3.91Å; F815-I839 HydrophobicContact CZ-CD1 4.33Å; F815-G848 WeakPolarHBondContact O-CA 3.42Å; F815-F850 AromaticContact CD2-CD1 3.93Å; F815-F850 HydrophobicContact CD2-CD1 3.93Å; F815-F850 AromaticContact CD2-CE1 3.85Å; F815-F850 HydrophobicContact CD2-CE1 3.85Å; F815-F850 HydrophobicContact CE2-CD1 4.18Å; F815-F850 AromaticContact CE2-CE1 3.86Å; F815-F850 HydrophobicContact CE2-CE1 3.86Å; F815-L866 HydrophobicContact CZ-CD1 4.4Å
816N95.2Very high95.1Very high130 Ų13066.1 Ų66.170%0.69536%0.358SS*.SBendtrans-99.1-37.9178.2-61.4-38.1000111.5E820 A847 G848N816-E820 PolarHBondContact N-OE2 2.72Å; N816-A847 CarbonylContact O-C 3.59Å; N816-G848 PolarHBondContact O-N 3.21Å
817T95.1Very high95.2Very high61 Ų6159.5 Ų59.537%0.37433%0.334SS..SBendtrans-113.7159.6-174.266.20000113.7L819 E820 V821T817-L819 VanDerWaalsContact C-N 3.28Å; T817-E820 WeakPolarHBondContact CB-OE1 3.31Å; T817-E820 WeakPolarHBondContact CG2-OE1 3.48Å; T817-E820 PolarHBondContact N-OE1 3.13Å; T817-E820 VanDerWaalsContact OG1-CD 3.24Å; T817-E820 VanDerWaalsContact OG1-CG 3.28Å; T817-E820 WeakPolarHBondContact OG1-CG 3.18Å; T817-E820 PolarHBondContact OG1-N 3.47Å; T817-E820 PolarHBondContact OG1-OE1 2.71Å; T817-V821 PolarHBondContact O-N 2.74Å
818V95Very high95.3Very high64 Ų6461 Ų6139%0.38835%0.349SS..Hα-helixtrans-65.5-33172.3174.50000111.3V821 A822 A842V818-V821 PolarHBondContact O-N 2.69Å; V818-A822 PolarHBondContact O-N 2.92Å; V818-A842 HydrophobicContact CG1-CB 3.85Å
819L94.3Very high95.3Very high142 Ų14258.7 Ų58.774%0.74334%0.335SS*.Hα-helixtrans-68.4-40.3179.5-61.1177.3000112.3T817 V821 A822 K823T817-L819 VanDerWaalsContact C-N 3.28Å; L819-V821 VanDerWaalsContact C-N 3.34Å; L819-V821 PolarHBondContact O-N 2.88Å; L819-A822 PolarHBondContact O-N 2.78Å; L819-K823 PolarHBondContact O-N 2.95Å
820E94.6Very high95.4Very high59 Ų5963.8 Ų63.828%0.27635%0.354SS..Hα-helixtrans-56.9-47.7170.1-76.8156-116.700111.3F815 N816 T817 A822 K823 F824F815-E820 VanDerWaalsContact CA-OE2 3.28Å; F815-E820 WeakPolarHBondContact CA-OE2 3.29Å; F815-E820 HydrophobicContact CB-CB 3.99Å; F815-E820 WeakPolarHBondContact CB-OE2 3.46Å; F815-E820 HydrophobicContact CD1-CB 3.76Å; F815-E820 HydrophobicContact CG-CB 4.14Å; N816-E820 PolarHBondContact N-OE2 2.72Å; T817-E820 WeakPolarHBondContact CB-OE1 3.31Å; T817-E820 WeakPolarHBondContact CG2-OE1 3.48Å; T817-E820 PolarHBondContact N-OE1 3.13Å; T817-E820 VanDerWaalsContact OG1-CD 3.24Å; T817-E820 VanDerWaalsContact OG1-CG 3.28Å; T817-E820 WeakPolarHBondContact OG1-CG 3.18Å; T817-E820 PolarHBondContact OG1-N 3.47Å; T817-E820 PolarHBondContact OG1-OE1 2.71Å; E820-A822 VanDerWaalsContact C-N 3.34Å; E820-A822 PolarHBondContact O-N 2.94Å; E820-K823 PolarHBondContact O-N 2.79Å; E820-F824 WeakPolarHBondContact O-CD2 3.35Å; E820-F824 PolarHBondContact O-N 3.02Å
821V95.3Very high95.4Very high0 Ų061.5 Ų61.50%034%0.344CS..Hα-helixtrans-61.6-43.11791790000111.3F815 T817 V818 L819 K823 F824 E825 I839 A842 F850F815-V821 HydrophobicContact CB-CG2 3.89Å; F815-V821 HydrophobicContact CD2-CG2 3.72Å; F815-V821 HydrophobicContact CG-CG2 4.01Å; T817-V821 PolarHBondContact O-N 2.74Å; V818-V821 PolarHBondContact O-N 2.69Å; L819-V821 VanDerWaalsContact C-N 3.34Å; L819-V821 PolarHBondContact O-N 2.88Å; V821-K823 VanDerWaalsContact C-N 3.31Å; V821-K823 PolarHBondContact O-N 3.28Å; V821-F824 CarbonylContact O-C 3.59Å; V821-F824 VanDerWaalsContact O-C 3.23Å; V821-F824 WeakPolarHBondContact O-CA 3.31Å; V821-F824 PolarHBondContact O-N 3.04Å; V821-E825 PolarHBondContact O-N 2.85Å; V821-I839 HydrophobicContact CG1-CG2 4.23Å; V821-A842 HydrophobicContact CB-CB 3.86Å; V821-A842 HydrophobicContact CG1-CB 3.61Å; V821-F850 HydrophobicContact CG1-CB 3.57Å; V821-F850 HydrophobicContact CG1-CG 4.36Å; V821-F850 HydrophobicContact CG2-CB 4.32Å; V821-F850 HydrophobicContact CG2-CD1 4.42Å
822A95Very high95.3Very high58 Ų5866.3 Ų66.348%0.47937%0.373SS..Hα-helixtrans-60.2-41177.800000111.8V818 L819 E820 F824 E825V818-A822 PolarHBondContact O-N 2.92Å; L819-A822 PolarHBondContact O-N 2.78Å; E820-A822 VanDerWaalsContact C-N 3.34Å; E820-A822 PolarHBondContact O-N 2.94Å; A822-F824 PolarHBondContact O-N 2.95Å; A822-E825 WeakPolarHBondContact O-CB 3.42Å; A822-E825 PolarHBondContact O-N 3.11Å; A822-E825 VanDerWaalsContact O-N 3.13Å
823K95.8Very high95.2Very high178 Ų17865.5 Ų65.577%0.77438%0.38SS*.Hα-helixtrans-63.3-21.3174.1-175.4168.8-177.6169.60113.7L819 E820 V821L819-K823 PolarHBondContact O-N 2.95Å; E820-K823 PolarHBondContact O-N 2.79Å; V821-K823 VanDerWaalsContact C-N 3.31Å; V821-K823 PolarHBondContact O-N 3.28Å
824F95.3Very high95.3Very high63 Ų6365 Ų6528%0.27638%0.375SS..THydrogen-bonded Turntrans-112.518.7174.8-68.2-75.9000113.2L797 F815 E820 V821 A822 A827 I839 L866L797-F824 HydrophobicContact CD1-CE2 4.35Å; L797-F824 HydrophobicContact CD1-CZ 4.43Å; F815-F824 HydrophobicContact CD1-CD2 4.28Å; F815-F824 HydrophobicContact CE1-CB 4.34Å; F815-F824 AromaticContact CE1-CD2 3.28Å; F815-F824 HydrophobicContact CE1-CD2 3.28Å; F815-F824 AromaticContact CE1-CE2 3.75Å; F815-F824 HydrophobicContact CE1-CE2 3.75Å; F815-F824 AromaticContact CE1-CG 3.99Å; F815-F824 HydrophobicContact CE1-CG 3.99Å; F815-F824 HydrophobicContact CE2-CB 4.49Å; F815-F824 HydrophobicContact CZ-CB 3.77Å; F815-F824 AromaticContact CZ-CD2 3.6Å; F815-F824 HydrophobicContact CZ-CD2 3.6Å; F815-F824 HydrophobicContact CZ-CE2 4.4Å; F815-F824 AromaticContact CZ-CG 3.81Å; F815-F824 HydrophobicContact CZ-CG 3.81Å; E820-F824 WeakPolarHBondContact O-CD2 3.35Å; E820-F824 PolarHBondContact O-N 3.02Å; V821-F824 CarbonylContact O-C 3.59Å; V821-F824 VanDerWaalsContact O-C 3.23Å; V821-F824 WeakPolarHBondContact O-CA 3.31Å; V821-F824 PolarHBondContact O-N 3.04Å; A822-F824 PolarHBondContact O-N 2.95Å; F824-A827 HydrophobicContact CB-CB 4.22Å; F824-A827 HydrophobicContact CD1-CB 4.46Å; F824-A827 WeakPolarHBondContact O-CB 3.37Å; F824-A827 PolarHBondContact O-N 3.44Å; F824-A827 VanDerWaalsContact O-N 3.14Å; F824-I839 HydrophobicContact CB-CD1 4.29Å; F824-I839 WeakPolarHBondContact O-CB 3.42Å; F824-L866 HydrophobicContact CB-CD1 4.28Å; F824-L866 HydrophobicContact CD1-CD1 3.95Å; F824-L866 HydrophobicContact CD1-CD2 4.45Å; F824-L866 HydrophobicContact CE1-CD2 4.41Å; F824-L866 HydrophobicContact CG-CD1 4.29Å
825E95.3Very high95.3Very high94 Ų9465.6 Ų65.644%0.43938%0.378SS..THydrogen-bonded Turntrans-65.9142.1173.6-165.4156.4141.700110.2V821 A822 A827 K841V821-E825 PolarHBondContact O-N 2.85Å; A822-E825 WeakPolarHBondContact O-CB 3.42Å; A822-E825 PolarHBondContact O-N 3.11Å; A822-E825 VanDerWaalsContact O-N 3.13Å; E825-A827 PolarHBondContact O-N 3.14Å; E825-A827 VanDerWaalsContact O-N 3.15Å; E825-K841 WeakPolarHBondContact OE2-CA 3.3Å
826G95.1Very high95.4Very high36 Ų3671.6 Ų71.637%0.37140%0.401SS..THydrogen-bonded Turntrans73.5-8.1-17100000115.4Q838 I839G826-Q838 WeakPolarHBondContact O-CG 3.44Å; G826-Q838 PolarHBondContact O-NE2 2.66Å; G826-I839 WeakPolarHBondContact CA-O 3.46Å; G826-I839 PolarHBondContact N-O 3.25Å
827A95.7Very high95.4Very high25 Ų2566.1 Ų66.121%0.20738%0.375CS..  trans-66.4145.4-179.100000112.9F824 E825 Q838 I839 L866F824-A827 HydrophobicContact CB-CB 4.22Å; F824-A827 HydrophobicContact CD1-CB 4.46Å; F824-A827 WeakPolarHBondContact O-CB 3.37Å; F824-A827 PolarHBondContact O-N 3.44Å; F824-A827 VanDerWaalsContact O-N 3.14Å; E825-A827 PolarHBondContact O-N 3.14Å; E825-A827 VanDerWaalsContact O-N 3.15Å; A827-Q838 WeakPolarHBondContact O-CA 3.46Å; A827-I839 HydrophobicContact CB-CD1 4.5Å; A827-I839 PolarHBondContact O-N 3.21Å; A827-L866 HydrophobicContact CB-CD1 3.73Å
828S96.3Very high95.5Very high92 Ų9266.6 Ų66.664%0.64337%0.373SS*.EExtended strand (participates in β ladder)trans-80.7132.9178.675.80000112.4G837S828-G837 WeakPolarHBondContact CA-O 3.42Å
829V96.3Very high95.6Very high2 Ų263.5 Ų63.51%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-121.8157177.1-69.70000110.1G837 I839 F854 V864 F865 L866V829-G837 PolarHBondContact N-O 3.31Å; V829-G837 PolarHBondContact O-N 3.45Å; V829-I839 HydrophobicContact CG1-CD1 4.1Å; V829-I839 HydrophobicContact CG1-CG1 3.88Å; V829-F854 HydrophobicContact CG2-CE1 3.77Å; V829-F854 HydrophobicContact CG2-CZ 3.81Å; V829-V864 HydrophobicContact CB-CG1 4Å; V829-V864 HydrophobicContact CG1-CG1 4.45Å; V829-V864 HydrophobicContact CG2-CG1 4.28Å; V829-F865 WeakPolarHBondContact CA-O 3.49Å; V829-L866 HydrophobicContact CG1-CB 4.09Å; V829-L866 HydrophobicContact CG1-CD1 4.39Å
830R96.6Very high95.7Very high108 Ų10860.8 Ų60.841%0.40834%0.336SS..EExtended strand (participates in β ladder)trans-137.8153.6170.8-56.8-168.4-171.8-1663.9110.9I835 R836 F865R830-I835 CarbonylContact C-O 3.6Å; R830-I835 VanDerWaalsContact CA-O 3.29Å; R830-I835 WeakPolarHBondContact CA-O 3.46Å; R830-R836 HydrophobicContact CG-CG 4.29Å; R830-F865 HydrophobicContact CB-CE2 3.87Å; R830-F865 HydrophobicContact CB-CZ 3.95Å; R830-F865 PolarHBondContact N-O 3.45Å; R830-F865 PolarHBondContact O-N 2.83Å
831T96.2Very high95.7Very high2 Ų263.9 Ų63.91%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-88.4163.8170.970.60000111.6S833 G834 I835 F854 L858 I863 V864T831-S833 PolarHBondContact O-N 3.48Å; T831-S833 PolarHBondContact OG1-N 2.88Å; T831-G834 PolarHBondContact O-N 3Å; T831-G834 PolarHBondContact OG1-N 3.3Å; T831-I835 HydrophobicContact CG2-CB 4.23Å; T831-I835 PolarHBondContact N-O 2.86Å; T831-I835 PolarHBondContact OG1-N 3.46Å; T831-F854 HydrophobicContact CG2-CD1 4.3Å; T831-F854 HydrophobicContact CG2-CE1 3.99Å; T831-L858 HydrophobicContact CG2-CD2 3.63Å; T831-L858 HydrophobicContact CG2-CG 3.93Å; T831-I863 CarbonylContact C-O 3.57Å; T831-I863 WeakPolarHBondContact CA-O 3.39Å; T831-V864 HydrophobicContact CG2-CG2 4.45Å
832V94.9Very high95.8Very high102 Ų10265 Ų6562%0.61836%0.357SS*.THydrogen-bonded Turntrans-61.6-30.6167.7173.10000111.7G834 I863 F865V832-G834 PolarHBondContact O-N 3.02Å; V832-I863 HydrophobicContact CG2-CB 3.9Å; V832-I863 PolarHBondContact N-O 2.96Å; V832-F865 HydrophobicContact CG2-CD1 4.21Å; V832-F865 HydrophobicContact CG2-CE1 4.01Å
833S92.4Very high95.7Very high81 Ų8164 Ų6457%0.56634%0.344SS*.THydrogen-bonded Turntrans-73.51.3171.3-600000114.4T831 D862T831-S833 PolarHBondContact O-N 3.48Å; T831-S833 PolarHBondContact OG1-N 2.88Å; S833-D862 VanDerWaalsContact CB-OD1 3.24Å; S833-D862 WeakPolarHBondContact CB-OD1 3.25Å; S833-D862 PolarHBondContact OG-OD1 2.84Å
834G94.9Very high95.3Very high48 Ų4861.2 Ų61.250%0.49535%0.347SS..  trans93.3-13.9172.100000116T831 V832 R836T831-G834 PolarHBondContact O-N 3Å; T831-G834 PolarHBondContact OG1-N 3.3Å; V832-G834 PolarHBondContact O-N 3.02Å; G834-R836 PolarHBondContact O-N 2.86Å
835I96.3Very high95Very high25 Ų2563 Ų6313%0.12837%0.367CS..  trans-59.2128.5-179.1-53168.4000109.4R830 T831 F854 E855 D856R830-I835 CarbonylContact C-O 3.6Å; R830-I835 VanDerWaalsContact CA-O 3.29Å; R830-I835 WeakPolarHBondContact CA-O 3.46Å; T831-I835 HydrophobicContact CG2-CB 4.23Å; T831-I835 PolarHBondContact N-O 2.86Å; T831-I835 PolarHBondContact OG1-N 3.46Å; I835-F854 HydrophobicContact CG2-CB 3.99Å; I835-F854 HydrophobicContact CG2-CD1 4.28Å; I835-E855 HydrophobicContact CG2-CB 4.13Å; I835-D856 HydrophobicContact CD1-CB 4.46Å
836R97.2Very high94.8Very high134 Ų13461 Ų6151%0.50636%0.363SS..EExtended strand (participates in β ladder)trans-86.5155.1175.5-50.9179.1-72.9-172.5-1.4110.5R830 G834 F854 E855R830-R836 HydrophobicContact CG-CG 4.29Å; G834-R836 PolarHBondContact O-N 2.86Å; R836-F854 WeakPolarHBondContact O-CA 3.17Å; R836-E855 WeakPolarHBondContact CA-OE2 3.43Å; R836-E855 HydrophobicContact CB-CG 4.33Å; R836-E855 WeakPolarHBondContact CB-OE2 3.17Å; R836-E855 WeakPolarHBondContact CG-OE2 3.42Å; R836-E855 IonicContact CZ-OE1 3.46Å; R836-E855 PolarHBondContact N-OE2 3.26Å; R836-E855 IonicContact NE-OE1 3.04Å; R836-E855 PolarHBondContact NE-OE1 3.07Å; R836-E855 IonicContact NE-OE2 3.84Å; R836-E855 PolarHBondContact NE-OE2 3Å; R836-E855 IonicContact NH2-OE1 2.76Å; R836-E855 PolarHBondContact NH2-OE1 3.17Å; R836-E855 PolarHBondContact O-N 3.2Å; R836-E855 VanDerWaalsContact O-N 3.1Å
837G96.1Very high94.5Very high15 Ų1562.8 Ų62.816%0.15537%0.374CS..EExtended strand (participates in β ladder)trans-163.2-178175.200000113.4S828 V829 T853S828-G837 WeakPolarHBondContact CA-O 3.42Å; V829-G837 PolarHBondContact N-O 3.31Å; V829-G837 PolarHBondContact O-N 3.45Å; G837-T853 CarbonylContact C-O 3.57Å; G837-T853 WeakPolarHBondContact CA-O 3.33Å
838Q97.2Very high94.3Very high70 Ų7061.7 Ų61.733%0.32737%0.365SS..EExtended strand (participates in β ladder)trans-139.1139.3-176.9-160.5-174.226.200110.5G826 A827 K840 A852 T853G826-Q838 WeakPolarHBondContact O-CG 3.44Å; G826-Q838 PolarHBondContact O-NE2 2.66Å; A827-Q838 WeakPolarHBondContact O-CA 3.46Å; Q838-K840 VanDerWaalsContact OE1-CE 3.26Å; Q838-A852 CarbonylContact O-C 3.5Å; Q838-A852 WeakPolarHBondContact O-CA 3.48Å; Q838-A852 WeakPolarHBondContact O-CB 3.26Å; Q838-T853 PolarHBondContact N-O 3.05Å; Q838-T853 PolarHBondContact O-N 2.93Å
839I97.3Very high94.3Very high0 Ų057.4 Ų57.40%034%0.335CS..EExtended strand (participates in β ladder)trans-69.1131.2168.3-56.4-171.2000108.5F815 V821 F824 G826 A827 V829 F850 L866F815-I839 HydrophobicContact CE2-CD1 3.91Å; F815-I839 HydrophobicContact CZ-CD1 4.33Å; V821-I839 HydrophobicContact CG1-CG2 4.23Å; F824-I839 HydrophobicContact CB-CD1 4.29Å; F824-I839 WeakPolarHBondContact O-CB 3.42Å; G826-I839 WeakPolarHBondContact CA-O 3.46Å; G826-I839 PolarHBondContact N-O 3.25Å; A827-I839 HydrophobicContact CB-CD1 4.5Å; A827-I839 PolarHBondContact O-N 3.21Å; V829-I839 HydrophobicContact CG1-CD1 4.1Å; V829-I839 HydrophobicContact CG1-CG1 3.88Å; I839-F850 HydrophobicContact CB-CD2 4.36Å; I839-F850 HydrophobicContact CB-CE2 4.5Å; I839-F850 HydrophobicContact CD1-CD2 4.34Å; I839-F850 HydrophobicContact CD1-CE1 4.48Å; I839-F850 HydrophobicContact CD1-CE2 3.96Å; I839-F850 HydrophobicContact CD1-CZ 4.02Å; I839-F850 HydrophobicContact CG1-CD2 4.03Å; I839-F850 HydrophobicContact CG1-CE2 3.7Å; I839-F850 HydrophobicContact CG1-CZ 4.24Å; I839-F850 HydrophobicContact CG2-CB 4.36Å; I839-F850 HydrophobicContact CG2-CD2 3.88Å; I839-F850 HydrophobicContact CG2-CE2 4.44Å; I839-F850 HydrophobicContact CG2-CG 4.24Å; I839-L866 HydrophobicContact CD1-CD1 4.01Å
840K95.8Very high94.3Very high85 Ų8557.3 Ų57.337%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-123.8-24.3-169.9-77.2-57.4-158-172.20116.6Q838 R851 T853Q838-K840 VanDerWaalsContact OE1-CE 3.26Å; K840-R851 WeakPolarHBondContact CA-O 3.2Å; K840-R851 PolarHBondContact N-O 3.31Å; K840-T853 VanDerWaalsContact CE-OG1 3.31Å; K840-T853 WeakPolarHBondContact CE-OG1 3.37Å; K840-T853 HydrophobicContact CG-CG2 3.84Å; K840-T853 VanDerWaalsContact CG-OG1 3.31Å; K840-T853 WeakPolarHBondContact CG-OG1 3.48Å
841K95.5Very high94.3Very high124 Ų12457.5 Ų57.554%0.53934%0.335SS..EExtended strand (participates in β ladder)trans-171.5147.8165.2-156.7165.4179.8167.70110.8E825 F850 R851E825-K841 WeakPolarHBondContact OE2-CA 3.3Å; K841-F850 WeakPolarHBondContact O-CA 3.48Å; K841-R851 PolarHBondContact N-O 3.5Å; K841-R851 PolarHBondContact O-N 3.06Å
842A96.1Very high94.3Very high22 Ų2257.4 Ų57.418%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-61153.9162.600000113.1V818 V821V818-A842 HydrophobicContact CG1-CB 3.85Å; V821-A842 HydrophobicContact CB-CB 3.86Å; V821-A842 HydrophobicContact CG1-CB 3.61Å
843L93.3Very high94.4Very high37 Ų3754.7 Ų54.719%0.19432%0.319CS..  trans-107.6144.6169.7-62.5170.1000109F810 A849F810-L843 HydrophobicContact CB-CD1 3.92Å; F810-L843 HydrophobicContact CD1-CD1 4.08Å; F810-L843 HydrophobicContact CD2-CD1 4.01Å; F810-L843 HydrophobicContact CE1-CD2 4.48Å; F810-L843 HydrophobicContact CG-CD1 3.75Å; F810-L843 HydrophobicContact CZ-CD2 4.5Å; L843-A849 HydrophobicContact CB-CB 4.35Å; L843-A849 WeakPolarHBondContact CB-O 3.3Å; L843-A849 HydrophobicContact CD1-CB 4.13Å; L843-A849 PolarHBondContact N-O 2.9Å
844S88.6Confident94.7Very high120 Ų12051.3 Ų51.384%0.83929%0.293SS*.SBendtrans-71.5-34.9176.3170.90000112.1
845S88.3Confident94.7Very high100 Ų10053.7 Ų53.770%0.69929%0.292SS*.SBendtrans-141.2135.3175.5-178.30000111.1
846P90.1Very high94.7Very high54 Ų5457.5 Ų57.535%0.35131%0.312SS..SBendcis-64.9158.6-10.1-19.633.3000112.9A849P846-A849 HydrophobicContact CB-CB 4.34Å; P846-A849 HydrophobicContact CG-CB 4.49Å; P846-A849 WeakPolarHBondContact O-CB 3.34Å; P846-A849 PolarHBondContact O-N 3.17Å
847A89.9Confident94.6Very high73 Ų7358.5 Ų58.560%0.60332%0.316SS*.THydrogen-bonded Turntrans-57.4142.3172.200000111.3N816 A849N816-A847 CarbonylContact O-C 3.59Å; A847-A849 PolarHBondContact O-N 2.8Å
848G91Very high94.5Very high1 Ų158 Ų581%0.0131%0.31CS..THydrogen-bonded Turntrans68.2-1-176.800000115.4F815 N816F815-G848 WeakPolarHBondContact O-CA 3.42Å; N816-G848 PolarHBondContact O-N 3.21Å
849A95.9Very high94.3Very high3 Ų358.5 Ų58.53%0.02532%0.315CS..  trans-79.6151.7173.500000111.5V811 K812 L843 P846 A847V811-A849 VanDerWaalsContact O-CA 3.26Å; V811-A849 WeakPolarHBondContact O-CA 3.37Å; K812-A849 HydrophobicContact CB-CB 4.36Å; L843-A849 HydrophobicContact CB-CB 4.35Å; L843-A849 WeakPolarHBondContact CB-O 3.3Å; L843-A849 HydrophobicContact CD1-CB 4.13Å; L843-A849 PolarHBondContact N-O 2.9Å; P846-A849 HydrophobicContact CB-CB 4.34Å; P846-A849 HydrophobicContact CG-CB 4.49Å; P846-A849 WeakPolarHBondContact O-CB 3.34Å; P846-A849 PolarHBondContact O-N 3.17Å; A847-A849 PolarHBondContact O-N 2.8Å
850F96.6Very high94.1Very high0 Ų064.3 Ų64.30%034%0.343CS..EExtended strand (participates in β ladder)trans-144.4153.1-177.564.4-93.5000113.4F810 V811 M814 F815 V821 I839 K841 A852F810-F850 WeakPolarHBondContact CA-O 3.35Å; V811-F850 HydrophobicContact CB-CD1 4.35Å; V811-F850 HydrophobicContact CB-CD2 4.28Å; V811-F850 HydrophobicContact CB-CE1 3.88Å; V811-F850 HydrophobicContact CB-CE2 3.79Å; V811-F850 HydrophobicContact CB-CZ 3.59Å; V811-F850 HydrophobicContact CG1-CE1 3.88Å; V811-F850 HydrophobicContact CG1-CE2 4.34Å; V811-F850 HydrophobicContact CG1-CZ 3.66Å; V811-F850 HydrophobicContact CG2-CE2 4Å; V811-F850 HydrophobicContact CG2-CZ 4.15Å; V811-F850 PolarHBondContact N-O 3.2Å; V811-F850 PolarHBondContact O-N 2.92Å; M814-F850 HydrophobicContact CB-CE1 3.95Å; M814-F850 HydrophobicContact CE-CZ 4.22Å; M814-F850 HydrophobicContact CG-CE1 4.46Å; M814-F850 HydrophobicContact SD-CE1 3.94Å; M814-F850 HydrophobicContact SD-CZ 3.84Å; F815-F850 AromaticContact CD2-CD1 3.93Å; F815-F850 HydrophobicContact CD2-CD1 3.93Å; F815-F850 AromaticContact CD2-CE1 3.85Å; F815-F850 HydrophobicContact CD2-CE1 3.85Å; F815-F850 HydrophobicContact CE2-CD1 4.18Å; F815-F850 AromaticContact CE2-CE1 3.86Å; F815-F850 HydrophobicContact CE2-CE1 3.86Å; V821-F850 HydrophobicContact CG1-CB 3.57Å; V821-F850 HydrophobicContact CG1-CG 4.36Å; V821-F850 HydrophobicContact CG2-CB 4.32Å; V821-F850 HydrophobicContact CG2-CD1 4.42Å; I839-F850 HydrophobicContact CB-CD2 4.36Å; I839-F850 HydrophobicContact CB-CE2 4.5Å; I839-F850 HydrophobicContact CD1-CD2 4.34Å; I839-F850 HydrophobicContact CD1-CE1 4.48Å; I839-F850 HydrophobicContact CD1-CE2 3.96Å; I839-F850 HydrophobicContact CD1-CZ 4.02Å; I839-F850 HydrophobicContact CG1-CD2 4.03Å; I839-F850 HydrophobicContact CG1-CE2 3.7Å; I839-F850 HydrophobicContact CG1-CZ 4.24Å; I839-F850 HydrophobicContact CG2-CB 4.36Å; I839-F850 HydrophobicContact CG2-CD2 3.88Å; I839-F850 HydrophobicContact CG2-CE2 4.44Å; I839-F850 HydrophobicContact CG2-CG 4.24Å; K841-F850 WeakPolarHBondContact O-CA 3.48Å; F850-A852 HydrophobicContact CD2-CB 3.97Å; F850-A852 HydrophobicContact CE2-CB 3.78Å
851R96.3Very high94Very high111 Ų11165 Ų6542%0.41936%0.358SS..EExtended strand (participates in β ladder)trans-85.6128.1167.4178.9179.468.21692.6109.2F810 K840 K841F810-R851 HydrophobicContact CD1-CB 4.02Å; F810-R851 HydrophobicContact CD1-CG 4.16Å; F810-R851 HydrophobicContact CE1-CB 4.01Å; F810-R851 HydrophobicContact CE1-CG 3.91Å; K840-R851 WeakPolarHBondContact CA-O 3.2Å; K840-R851 PolarHBondContact N-O 3.31Å; K841-R851 PolarHBondContact N-O 3.5Å; K841-R851 PolarHBondContact O-N 3.06Å
852A97Very high94Very high0 Ų059.4 Ų59.40%034%0.335CS..EExtended strand (participates in β ladder)trans-126.415417000000111.9T808 C809 Q838 F850 F854T808-A852 WeakPolarHBondContact CA-O 3.23Å; C809-A852 PolarHBondContact N-O 2.85Å; C809-A852 PolarHBondContact O-N 2.87Å; Q838-A852 CarbonylContact O-C 3.5Å; Q838-A852 WeakPolarHBondContact O-CA 3.48Å; Q838-A852 WeakPolarHBondContact O-CB 3.26Å; F850-A852 HydrophobicContact CD2-CB 3.97Å; F850-A852 HydrophobicContact CE2-CB 3.78Å; A852-F854 HydrophobicContact CB-CD2 4.28Å; A852-F854 HydrophobicContact CB-CE2 3.54Å; A852-F854 HydrophobicContact CB-CZ 4.09Å
853T97.2Very high94Very high46 Ų4661.3 Ų61.328%0.28234%0.341SS..EExtended strand (participates in β ladder)trans-109.7138173.745.10000110N807 T808 G837 Q838 K840N807-T853 CarbonylContact O-C 3.56Å; N807-T853 WeakPolarHBondContact O-CA 3.49Å; T808-T853 HydrophobicContact CG2-CG2 3.73Å; G837-T853 CarbonylContact C-O 3.57Å; G837-T853 WeakPolarHBondContact CA-O 3.33Å; Q838-T853 PolarHBondContact N-O 3.05Å; Q838-T853 PolarHBondContact O-N 2.93Å; K840-T853 VanDerWaalsContact CE-OG1 3.31Å; K840-T853 WeakPolarHBondContact CE-OG1 3.37Å; K840-T853 HydrophobicContact CG-CG2 3.84Å; K840-T853 VanDerWaalsContact CG-OG1 3.31Å; K840-T853 WeakPolarHBondContact CG-OG1 3.48Å
854F97.1Very high94.1Very high9 Ų959.5 Ų59.54%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-132.4160-177.1-66.6-96.1000111.5N807 C809 V829 T831 I835 R836 A852 L858 V864N807-F854 PolarHBondContact ND2-O 3.4Å; N807-F854 PolarHBondContact O-N 2.88Å; C809-F854 HydrophobicContact CB-CD2 4.13Å; C809-F854 HydrophobicContact CB-CE2 3.93Å; V829-F854 HydrophobicContact CG2-CE1 3.77Å; V829-F854 HydrophobicContact CG2-CZ 3.81Å; T831-F854 HydrophobicContact CG2-CD1 4.3Å; T831-F854 HydrophobicContact CG2-CE1 3.99Å; I835-F854 HydrophobicContact CG2-CB 3.99Å; I835-F854 HydrophobicContact CG2-CD1 4.28Å; R836-F854 WeakPolarHBondContact O-CA 3.17Å; A852-F854 HydrophobicContact CB-CD2 4.28Å; A852-F854 HydrophobicContact CB-CE2 3.54Å; A852-F854 HydrophobicContact CB-CZ 4.09Å; F854-L858 HydrophobicContact CB-CD1 3.81Å; F854-L858 HydrophobicContact CD1-CD1 4Å; F854-L858 HydrophobicContact CD2-CD1 3.55Å; F854-L858 HydrophobicContact CE1-CD1 4.44Å; F854-L858 HydrophobicContact CE1-CD2 4.43Å; F854-L858 HydrophobicContact CE2-CD1 4.03Å; F854-L858 HydrophobicContact CE2-CD2 4.33Å; F854-L858 HydrophobicContact CG-CD1 3.54Å; F854-L858 HydrophobicContact CZ-CD1 4.45Å; F854-L858 HydrophobicContact CZ-CD2 4.22Å; F854-V864 HydrophobicContact CE1-CG1 4.22Å; F854-V864 HydrophobicContact CZ-CG1 3.85Å; F854-V864 HydrophobicContact CZ-CG2 4.15Å
855E96.4Very high94.5Very high98 Ų9854.7 Ų54.746%0.45830%0.296SS..SBendtrans-64.9-37.5-179-62.1168.9128.700113.1N807 I835 R836N807-E855 PolarHBondContact ND2-O 3.11Å; I835-E855 HydrophobicContact CG2-CB 4.13Å; R836-E855 WeakPolarHBondContact CA-OE2 3.43Å; R836-E855 HydrophobicContact CB-CG 4.33Å; R836-E855 WeakPolarHBondContact CB-OE2 3.17Å; R836-E855 WeakPolarHBondContact CG-OE2 3.42Å; R836-E855 IonicContact CZ-OE1 3.46Å; R836-E855 PolarHBondContact N-OE2 3.26Å; R836-E855 IonicContact NE-OE1 3.04Å; R836-E855 PolarHBondContact NE-OE1 3.07Å; R836-E855 IonicContact NE-OE2 3.84Å; R836-E855 PolarHBondContact NE-OE2 3Å; R836-E855 IonicContact NH2-OE1 2.76Å; R836-E855 PolarHBondContact NH2-OE1 3.17Å; R836-E855 PolarHBondContact O-N 3.2Å; R836-E855 VanDerWaalsContact O-N 3.1Å
856D95.6Very high94.9Very high105 Ų10550.3 Ų50.356%0.56126%0.264SS*.SBendtrans-141.9170.5179.2-169.822.2000110.9I835 L858I835-D856 HydrophobicContact CD1-CB 4.46Å; D856-L858 PolarHBondContact O-N 3Å
857R94.7Very high95.1Very high156 Ų15653.7 Ų53.759%0.58927%0.27SS*.PPolyproline II helixtrans-72.2120.3-175.6-175.8172.7178.1-170.60.5112.6I804 F805 K806I804-R857 HydrophobicContact CG2-CG 3.97Å; F805-R857 WeakPolarHBondContact O-CG 3.44Å; F805-R857 PolarHBondContact O-NE 3.16Å; K806-R857 VanDerWaalsContact O-CA 3.24Å; K806-R857 WeakPolarHBondContact O-CA 3.45Å; K806-R857 VanDerWaalsContact O-CB 3.27Å; K806-R857 WeakPolarHBondContact O-CB 3.4Å
858L94.8Very high95.3Very high5 Ų551.4 Ų51.43%0.02625%0.249CC..PPolyproline II helixtrans-66.4160.3172.9-69.880.5000112.7P801 I804 C809 T831 F854 D856 D862 V864P801-L858 HydrophobicContact CB-CD2 4.5Å; I804-L858 HydrophobicContact CD1-CB 4Å; I804-L858 HydrophobicContact CG2-CB 4.31Å; C809-L858 HydrophobicContact CB-CD1 4.3Å; T831-L858 HydrophobicContact CG2-CD2 3.63Å; T831-L858 HydrophobicContact CG2-CG 3.93Å; F854-L858 HydrophobicContact CB-CD1 3.81Å; F854-L858 HydrophobicContact CD1-CD1 4Å; F854-L858 HydrophobicContact CD2-CD1 3.55Å; F854-L858 HydrophobicContact CE1-CD1 4.44Å; F854-L858 HydrophobicContact CE1-CD2 4.43Å; F854-L858 HydrophobicContact CE2-CD1 4.03Å; F854-L858 HydrophobicContact CE2-CD2 4.33Å; F854-L858 HydrophobicContact CG-CD1 3.54Å; F854-L858 HydrophobicContact CZ-CD1 4.45Å; F854-L858 HydrophobicContact CZ-CD2 4.22Å; D856-L858 PolarHBondContact O-N 3Å; L858-D862 HydrophobicContact CB-CB 4.49Å; L858-D862 HydrophobicContact CD2-CB 4.32Å; L858-V864 HydrophobicContact CD2-CG2 3.8Å
859L93.4Very high95.4Very high80 Ų8055.2 Ų55.242%0.41926%0.264SS..PPolyproline II helixtrans-97155.1162-57.5178.9000110.2I804 S861 D862I804-L859 VanDerWaalsContact CD1-C 3.41Å; L859-S861 PolarHBondContact O-N 3.47Å; L859-S861 VanDerWaalsContact O-N 3.13Å; L859-D862 PolarHBondContact N-OD2 2.92Å; L859-D862 WeakPolarHBondContact O-CB 3.05Å; L859-D862 PolarHBondContact O-N 2.74Å
860M93.1Very high95.4Very high122 Ų12262.1 Ų62.160%0.60129%0.29SS*.THydrogen-bonded Turntrans-64.2-16174-69.4-65.2-169.600113I804I804-M860 HydrophobicContact CB-CE 4.46Å; I804-M860 HydrophobicContact CD1-CE 4.16Å; I804-M860 HydrophobicContact CD1-CG 3.92Å; I804-M860 HydrophobicContact CD1-SD 3.5Å; I804-M860 VanDerWaalsContact CD1-SD 3.5Å; I804-M860 HydrophobicContact CG1-CE 4.04Å; I804-M860 HydrophobicContact CG1-SD 3.85Å
861S93.2Very high95.3Very high98 Ų9866.3 Ų66.369%0.68532%0.317SS*.THydrogen-bonded Turntrans-89.1-3.6173.7600000114.1L859L859-S861 PolarHBondContact O-N 3.47Å; L859-S861 VanDerWaalsContact O-N 3.13Å
862D94.6Very high95.2Very high8 Ų862.2 Ų62.24%0.04331%0.305CS..PPolyproline II helixtrans-71.8142.6175.4-84.4-57.8000110.9P801 S833 L858 L859P801-D862 WeakPolarHBondContact CD-O 3.43Å; P801-D862 WeakPolarHBondContact CG-O 3.34Å; S833-D862 VanDerWaalsContact CB-OD1 3.24Å; S833-D862 WeakPolarHBondContact CB-OD1 3.25Å; S833-D862 PolarHBondContact OG-OD1 2.84Å; L858-D862 HydrophobicContact CB-CB 4.49Å; L858-D862 HydrophobicContact CD2-CB 4.32Å; L859-D862 PolarHBondContact N-OD2 2.92Å; L859-D862 WeakPolarHBondContact O-CB 3.05Å; L859-D862 PolarHBondContact O-N 2.74Å
863I96.5Very high95Very high61 Ų6166.7 Ų66.731%0.31334%0.336SS..PPolyproline II helixtrans-103.6124.3169.3-57179.8000107.5I798 Y800 T831 V832I798-I863 HydrophobicContact CG2-CG2 3.49Å; I798-I863 VanDerWaalsContact CG2-CG2 3.49Å; Y800-I863 HydrophobicContact CD1-CG1 4.34Å; Y800-I863 HydrophobicContact CE1-CD1 4.18Å; Y800-I863 HydrophobicContact CE1-CG1 3.93Å; Y800-I863 HydrophobicContact CE1-CG2 4.43Å; T831-I863 CarbonylContact C-O 3.57Å; T831-I863 WeakPolarHBondContact CA-O 3.39Å; V832-I863 HydrophobicContact CG2-CB 3.9Å; V832-I863 PolarHBondContact N-O 2.96Å
864V96.8Very high94.7Very high0 Ų064.9 Ų64.90%033%0.325CS..EExtended strand (participates in β ladder)trans-90.4137.4174.7-172.60000108.3G799 V811 M814 V829 T831 F854 L858G799-V864 PolarHBondContact N-O 2.91Å; G799-V864 WeakPolarHBondContact O-CB 3.21Å; G799-V864 PolarHBondContact O-N 2.87Å; G799-V864 VanDerWaalsContact O-O 3.12Å; V811-V864 HydrophobicContact CG1-CB 4.28Å; V811-V864 HydrophobicContact CG1-CG2 4.35Å; V811-V864 HydrophobicContact CG2-CG2 4.07Å; M814-V864 HydrophobicContact CE-CB 4.25Å; M814-V864 HydrophobicContact CE-CG1 4Å; M814-V864 WeakPolarHBondContact CE-O 3.42Å; V829-V864 HydrophobicContact CB-CG1 4Å; V829-V864 HydrophobicContact CG1-CG1 4.45Å; V829-V864 HydrophobicContact CG2-CG1 4.28Å; T831-V864 HydrophobicContact CG2-CG2 4.45Å; F854-V864 HydrophobicContact CE1-CG1 4.22Å; F854-V864 HydrophobicContact CZ-CG1 3.85Å; F854-V864 HydrophobicContact CZ-CG2 4.15Å; L858-V864 HydrophobicContact CD2-CG2 3.8Å
865F96.9Very high94.5Very high19 Ų1966 Ų668%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-136145171.157.9-98.9000112.8L797 V829 R830 V832 R867L797-F865 CarbonylContact O-C 3.57Å; L797-F865 WeakPolarHBondContact O-CA 3.17Å; L797-F865 WeakPolarHBondContact O-CB 3.42Å; V829-F865 WeakPolarHBondContact CA-O 3.49Å; R830-F865 HydrophobicContact CB-CE2 3.87Å; R830-F865 HydrophobicContact CB-CZ 3.95Å; R830-F865 PolarHBondContact N-O 3.45Å; R830-F865 PolarHBondContact O-N 2.83Å; V832-F865 HydrophobicContact CG2-CD1 4.21Å; V832-F865 HydrophobicContact CG2-CE1 4.01Å; F865-R867 HydrophobicContact CD2-CG 3.91Å; F865-R867 HydrophobicContact CE2-CG 3.96Å
866L95.8Very high94.3Very high8 Ų867.5 Ų67.54%0.04234%0.34CS..EExtended strand (participates in β ladder)trans-95.5137.3164-171.8149.2000108.1K796 L797 M814 F815 F824 A827 V829 I839K796-L866 WeakPolarHBondContact CA-O 3.29Å; L797-L866 HydrophobicContact CB-CB 4.33Å; L797-L866 HydrophobicContact CD1-CD2 4.38Å; L797-L866 PolarHBondContact N-O 2.92Å; L797-L866 PolarHBondContact O-N 2.99Å; M814-L866 HydrophobicContact SD-CB 3.98Å; F815-L866 HydrophobicContact CZ-CD1 4.4Å; F824-L866 HydrophobicContact CB-CD1 4.28Å; F824-L866 HydrophobicContact CD1-CD1 3.95Å; F824-L866 HydrophobicContact CD1-CD2 4.45Å; F824-L866 HydrophobicContact CE1-CD2 4.41Å; F824-L866 HydrophobicContact CG-CD1 4.29Å; A827-L866 HydrophobicContact CB-CD1 3.73Å; V829-L866 HydrophobicContact CG1-CB 4.09Å; V829-L866 HydrophobicContact CG1-CD1 4.39Å; I839-L866 HydrophobicContact CD1-CD1 4.01Å
867R94.4Very high94.3Very high125 Ų12565 Ų6547%0.47233%0.326SS..EExtended strand (participates in β ladder)trans-101.4107176-66.5-178.9179.31792109.1F865F865-R867 HydrophobicContact CD2-CG 3.91Å; F865-R867 HydrophobicContact CE2-CG 3.96Å
868S93.4Very high94.2Very high24 Ų2460.4 Ų60.417%0.16831%0.309CS..EExtended strand (participates in β ladder)trans-112.6169.3176.351.20000111.2L795L795-S868 WeakPolarHBondContact CD2-OG 3.31Å; L795-S868 PolarHBondContact N-O 3.19Å; L795-S868 PolarHBondContact O-N 2.98Å; L795-S868 VanDerWaalsContact O-O 3.04Å
869W94.1Very high94.2Very high82 Ų8262.8 Ų62.831%0.31132%0.322SS..EExtended strand (participates in β ladder)trans-130.9134-179.5-58.298.1000107.8D729 R735 V792 K794D729-W869 VanDerWaalsContact OD2-CH2 3.31Å; D729-W869 WeakPolarHBondContact OD2-CH2 2.91Å; R735-W869 HydrophobicContact CB-CZ3 4.21Å; R735-W869 HydrophobicContact CG-CZ3 3.92Å; V792-W869 HydrophobicContact CB-CB 4.39Å; V792-W869 HydrophobicContact CB-CE3 4.37Å; V792-W869 HydrophobicContact CG2-CE3 3.97Å; V792-W869 HydrophobicContact CG2-CZ3 4.45Å; K794-W869 HydrophobicContact CB-CE3 3.93Å; K794-W869 HydrophobicContact CB-CH2 4.3Å; K794-W869 HydrophobicContact CB-CZ3 3.65Å; K794-W869 HydrophobicContact CD-CH2 3.86Å; K794-W869 HydrophobicContact CD-CZ2 4.43Å; K794-W869 HydrophobicContact CD-CZ3 4.08Å; K794-W869 HydrophobicContact CG-CE3 4.12Å; K794-W869 HydrophobicContact CG-CH2 3.98Å; K794-W869 HydrophobicContact CG-CZ2 4.41Å; K794-W869 HydrophobicContact CG-CZ3 3.8Å
870Y94.9Very high94.2Very high148 Ų14861 Ų6158%0.5832%0.315SS*.EExtended strand (participates in β ladder)trans-122.8123.2-178.7-177.9-92.9000108.6K793 V872K793-Y870 PolarHBondContact N-O 2.89Å; K793-Y870 PolarHBondContact O-N 2.99Å; Y870-V872 HydrophobicContact CD1-CG2 4.12Å
871P95.5Very high94.2Very high88 Ų8855.4 Ų55.457%0.57129%0.288SS*.EExtended strand (participates in β ladder)trans-65.5144178.528.8-34.4000110.7I791I791-P871 CarbonylContact O-C 3.33Å; I791-P871 WeakPolarHBondContact O-CA 3.48Å
872V94.1Very high94.2Very high25 Ų2552.6 Ų52.615%0.15227%0.267CS..  trans-130.9116.5179.8177.90000109.1L724 L736 I791 K793 Y870L724-V872 HydrophobicContact CD1-CG1 4.01Å; L736-V872 HydrophobicContact CD2-CB 4.43Å; L736-V872 HydrophobicContact CD2-CG1 4.33Å; L736-V872 HydrophobicContact CD2-CG2 4.22Å; I791-V872 PolarHBondContact O-N 2.68Å; K793-V872 HydrophobicContact CB-CG2 3.6Å; K793-V872 HydrophobicContact CD-CG2 4.2Å; Y870-V872 HydrophobicContact CD1-CG2 4.12Å
873S91.9Very high94Very high94 Ų9452.4 Ų52.466%0.65727%0.266SS*.PPolyproline II helixtrans-65.7140174.345.90000112.3L724L724-S873 WeakPolarHBondContact CD1-O 3.2Å
874V92.3Very high93.7Very high8 Ų850.2 Ų50.25%0.04826%0.255CS..PPolyproline II helixtrans-69.9130.1167.2178.60000108.2Y689 L724 I791 Q876Y689-V874 HydrophobicContact CD1-CB 3.99Å; Y689-V874 HydrophobicContact CD1-CG1 4.13Å; Y689-V874 HydrophobicContact CD1-CG2 4.41Å; Y689-V874 HydrophobicContact CE1-CB 3.8Å; Y689-V874 HydrophobicContact CE1-CG1 4.16Å; L724-V874 HydrophobicContact CD1-CB 4.4Å; L724-V874 HydrophobicContact CD1-CG2 3.99Å; L724-V874 HydrophobicContact CG-CG2 4.39Å; I791-V874 HydrophobicContact CD1-CG2 4.08Å; V874-Q876 PolarHBondContact O-N 3.4Å
875P92.3Very high93.4Very high32 Ų3251.8 Ų51.821%0.20826%0.263CS..PPolyproline II helixtrans-65.6130.5175.1-18.732.7000111.2K707 I722 L877K707-P875 HydrophobicContact CD-CG 4.36Å; I722-P875 HydrophobicContact CB-CB 4.3Å; I722-P875 HydrophobicContact CB-CG 4.27Å; I722-P875 HydrophobicContact CD1-CB 4.49Å; I722-P875 HydrophobicContact CG2-CB 4.46Å; I722-P875 HydrophobicContact CG2-CG 3.95Å; P875-L877 VanDerWaalsContact C-N 3.34Å; P875-L877 PolarHBondContact O-N 2.9Å; P875-L877 VanDerWaalsContact O-N 3.08Å
876Q92.6Very high93.1Very high129 Ų12953 Ų5360%0.60327%0.27SS*.  trans-80.782.9171.9-68.2168.8-49.100109.1Y689 W751 V874Y689-Q876 HydrophobicContact CE1-CG 4.47Å; Y689-Q876 PolarHBondContact OH-NE2 3.39Å; W751-Q876 HydrophobicContact CB-CG 4.47Å; W751-Q876 HydrophobicContact CD2-CB 4.29Å; W751-Q876 HydrophobicContact CD2-CG 3.8Å; W751-Q876 HydrophobicContact CE3-CG 4.1Å; W751-Q876 HydrophobicContact CG-CB 4.04Å; W751-Q876 HydrophobicContact CG-CG 3.96Å; V874-Q876 PolarHBondContact O-N 3.4Å
877L94.1Very high92.7Very high53 Ų5355.3 Ų55.328%0.27729%0.285SS..  trans-120.1128.4166.2-176.169.8000109.1T721 I722 P875 M897T721-L877 VanDerWaalsContact CB-O 3.3Å; T721-L877 WeakPolarHBondContact CB-O 3.12Å; T721-L877 PolarHBondContact OG1-O 2.82Å; I722-L877 HydrophobicContact CD1-CB 4.17Å; I722-L877 HydrophobicContact CD1-CD2 3.77Å; I722-L877 HydrophobicContact CG1-CB 4.17Å; I722-L877 HydrophobicContact CG1-CD2 3.77Å; P875-L877 VanDerWaalsContact C-N 3.34Å; P875-L877 PolarHBondContact O-N 2.9Å; P875-L877 VanDerWaalsContact O-N 3.08Å; L877-M897 HydrophobicContact CD2-SD 4.1Å
878Y94.1Very high91.8Very high59 Ų5952.4 Ų52.423%0.23129%0.288CS..  trans-135.4129.1167.3173.7-102.8000106.9L687 F719 P753L687-Y878 HydrophobicContact CD2-CD1 4.42Å; L687-Y878 HydrophobicContact CD2-CD2 4.28Å; L687-Y878 HydrophobicContact CD2-CE2 4.44Å; L687-Y878 HydrophobicContact CD2-CG 4.27Å; F719-Y878 HydrophobicContact CB-CD2 3.83Å; F719-Y878 HydrophobicContact CB-CE2 3.41Å; F719-Y878 VanDerWaalsContact CB-CE2 3.41Å; F719-Y878 HydrophobicContact CD1-CD2 4.49Å; F719-Y878 AromaticContact CD1-CE2 3.85Å; F719-Y878 HydrophobicContact CD1-CE2 3.85Å; F719-Y878 AromaticContact CD2-CD2 3.56Å; F719-Y878 HydrophobicContact CD2-CD2 3.56Å; F719-Y878 AromaticContact CD2-CE2 3.75Å; F719-Y878 HydrophobicContact CD2-CE2 3.75Å; F719-Y878 HydrophobicContact CE2-CD2 4.23Å; F719-Y878 HydrophobicContact CE2-CE2 4.46Å; F719-Y878 AromaticContact CG-CD2 3.72Å; F719-Y878 HydrophobicContact CG-CD2 3.72Å; F719-Y878 AromaticContact CG-CE2 3.39Å; F719-Y878 HydrophobicContact CG-CE2 3.39Å; P753-Y878 HydrophobicContact CG-CE2 4.25Å
879N94.7Very high91Very high56 Ų5654.8 Ų54.830%0.29932%0.316SS..EExtended strand (participates in β ladder)trans-145.5103.4-179.617736.8000108.4F719 Q720F719-N879 CarbonylContact C-O 3.57Å; F719-N879 VanDerWaalsContact CA-O 3.32Å; F719-N879 WeakPolarHBondContact CA-O 3.31Å; Q720-N879 HydrophobicContact CB-CB 4.31Å; Q720-N879 PolarHBondContact N-O 3.48Å; Q720-N879 PolarHBondContact O-N 2.68Å; Q720-N879 VanDerWaalsContact O-N 3.15Å
880P93.8Very high90.4Very high42 Ų4256.1 Ų56.127%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-65.1151.1-176.827.6-34.1000112R718 T882 W894R718-P880 WeakPolarHBondContact O-CA 3.31Å; P880-T882 HydrophobicContact CG-CG2 4.42Å; P880-T882 PolarHBondContact O-N 3.27Å; P880-W894 VanDerWaalsContact O-CZ2 3.3Å; P880-W894 WeakPolarHBondContact O-CZ2 3.4Å
881V92.7Very high89.8Confident4 Ų449.2 Ų49.22%0.02430%0.299CS..  trans-86.8101.1174.4179.50000108.8G171 I711 R718 S883 W894G171-V881 VanDerWaalsContact CA-O 3.3Å; G171-V881 WeakPolarHBondContact CA-O 3.18Å; I711-V881 HydrophobicContact CG2-CG2 3.66Å; R718-V881 HydrophobicContact CB-CB 3.78Å; R718-V881 HydrophobicContact CB-CG2 3.93Å; R718-V881 PolarHBondContact O-N 3.4Å; V881-S883 PolarHBondContact O-N 2.8Å; V881-W894 HydrophobicContact CB-CD2 4.45Å; V881-W894 HydrophobicContact CB-CZ2 4.49Å; V881-W894 HydrophobicContact CG1-CD2 3.85Å; V881-W894 HydrophobicContact CG1-CE3 4.05Å; V881-W894 HydrophobicContact CG1-CG 4.07Å; V881-W894 HydrophobicContact CG2-CE3 4.21Å; V881-W894 HydrophobicContact CG2-CH2 3.97Å; V881-W894 HydrophobicContact CG2-CZ2 4.28Å; V881-W894 HydrophobicContact CG2-CZ3 3.93Å
882T92.8Very high89.2Confident40 Ų4048 Ų4825%0.24529%0.288CS..  trans-94.154.6-177.448.30000112.2G171 P880 L885 W894G171-T882 CarbonylContact O-C 3.58Å; G171-T882 VanDerWaalsContact O-CA 3.22Å; G171-T882 WeakPolarHBondContact O-CA 3.5Å; P880-T882 HydrophobicContact CG-CG2 4.42Å; P880-T882 PolarHBondContact O-N 3.27Å; T882-L885 HydrophobicContact CG2-CD1 4.18Å; T882-W894 PolarHBondContact OG1-NE1 2.7Å; T882-W894 VanDerWaalsContact OG1-NE1 3.16Å
883S89.9Confident88.8Confident3 Ų349.5 Ų49.52%0.02130%0.3CS..  trans-68-32.6-174.449.30000114.4G171 R718 V881 L886 K891G171-S883 PolarHBondContact O-N 3.14Å; R718-S883 PolarHBondContact NH2-OG 3.5Å; V881-S883 PolarHBondContact O-N 2.8Å; S883-L886 PolarHBondContact O-N 2.87Å; S883-K891 WeakPolarHBondContact O-CG 3.18Å
884L90Very high88.7Confident15 Ų1546 Ų468%0.07927%0.272CS..THydrogen-bonded Turntrans-78.1-20-177.3-64.5-179.2000113.3P170 G171 V172 F665 Y673 L886 K891P170-L884 VanDerWaalsContact O-CD1 3.3Å; P170-L884 WeakPolarHBondContact O-CD1 3.25Å; G171-L884 PolarHBondContact O-N 2.87Å; V172-L884 HydrophobicContact CG2-CB 4Å; V172-L884 HydrophobicContact CG2-CD1 4.22Å; F665-L884 HydrophobicContact CD2-CB 4.42Å; F665-L884 HydrophobicContact CE2-CB 4.46Å; F665-L884 HydrophobicContact CE2-CD1 4.35Å; Y673-L884 HydrophobicContact CD1-CD2 4.04Å; Y673-L884 HydrophobicContact CG-CD2 4.19Å; L884-L886 PolarHBondContact O-N 2.74Å; L884-K891 HydrophobicContact CD2-CD 4.4Å
885L91.2Very high88.4Confident34 Ų3450.5 Ų50.518%0.17830%0.303CS..THydrogen-bonded Turntrans-73.4-14173.1-61.8-174.1000113.3V172 P662 E664 F665 N668 T882V172-L885 HydrophobicContact CG1-CD2 4Å; P662-L885 HydrophobicContact CB-CD1 4.44Å; P662-L885 HydrophobicContact CB-CD2 4.05Å; P662-L885 HydrophobicContact CG-CD1 4.41Å; P662-L885 HydrophobicContact CG-CD2 4.37Å; E664-L885 HydrophobicContact CB-CB 4.34Å; E664-L885 HydrophobicContact CB-CD2 4.34Å; F665-L885 HydrophobicContact CB-CD2 3.75Å; N668-L885 PolarHBondContact ND2-O 2.84Å; T882-L885 HydrophobicContact CG2-CD1 4.18Å
886L90.1Very high88.2Confident44 Ų4450.2 Ų50.223%0.2331%0.306CS..SBendtrans-76.4150.2-179.9-63.9175000111.4N668 S883 L884 K891 W894N668-L886 WeakPolarHBondContact CB-O 3.43Å; S883-L886 PolarHBondContact O-N 2.87Å; L884-L886 PolarHBondContact O-N 2.74Å; L886-K891 HydrophobicContact CB-CG 4.37Å; L886-K891 WeakPolarHBondContact O-CE 3.26Å; L886-W894 HydrophobicContact CD1-CB 3.77Å; L886-W894 HydrophobicContact CD1-CG 4.41Å
887P88.1Confident88.2Confident56 Ų5648.4 Ų48.436%0.36430%0.299SS..PPolyproline II helixtrans-52.2150.7176.8-28.335.9000113.5G889 Q890P887-G889 PolarHBondContact O-N 3.11Å; P887-Q890 PolarHBondContact O-N 3.22Å
888A75.2Confident88.1Confident65 Ų6552.3 Ų52.354%0.53731%0.31SS..THydrogen-bonded Turntrans-50.8136.2173.500000111Q890A888-Q890 VanDerWaalsContact C-N 3.25Å; A888-Q890 PolarHBondContact O-N 2.67Å
889G76.8Confident88Confident73 Ų7350.1 Ų50.175%0.75330%0.303SS*.THydrogen-bonded Turntrans75.5-4.5-172.800000116.3P887P887-G889 PolarHBondContact O-N 3.11Å
890Q82.4Confident87.9Confident110 Ų11051 Ų5151%0.51431%0.307SS..  trans-115.71.9176.4-63.5-169.825.700114.4P887 A888 D892 S893P887-Q890 PolarHBondContact O-N 3.22Å; A888-Q890 VanDerWaalsContact C-N 3.25Å; A888-Q890 PolarHBondContact O-N 2.67Å; Q890-D892 PolarHBondContact O-N 2.76Å; Q890-S893 WeakPolarHBondContact O-CA 2.96Å; Q890-S893 VanDerWaalsContact O-CB 3.29Å; Q890-S893 WeakPolarHBondContact O-CB 3.43Å; Q890-S893 PolarHBondContact O-N 3.46Å; Q890-S893 PolarHBondContact O-OG 3.03Å
891K82.4Confident87.7Confident4 Ų451.2 Ų51.22%0.01732%0.317CS..G310 helixtrans-57.7-42.4-176-63-177.4174.9172.90113.5N668 D670 Y673 S883 L884 L886 S893N668-K891 VanDerWaalsContact O-CE 3.26Å; N668-K891 WeakPolarHBondContact O-CE 3.41Å; N668-K891 PolarHBondContact O-NZ 3.08Å; D670-K891 VanDerWaalsContact CB-NZ 3.31Å; Y673-K891 HydrophobicContact CD1-CD 4.21Å; Y673-K891 HydrophobicContact CD2-CD 3.95Å; Y673-K891 HydrophobicContact CE1-CB 4.02Å; Y673-K891 HydrophobicContact CE1-CD 4.14Å; Y673-K891 HydrophobicContact CE2-CD 3.89Å; Y673-K891 HydrophobicContact CG-CD 4.11Å; S883-K891 WeakPolarHBondContact O-CG 3.18Å; L884-K891 HydrophobicContact CD2-CD 4.4Å; L886-K891 HydrophobicContact CB-CG 4.37Å; L886-K891 WeakPolarHBondContact O-CE 3.26Å; K891-S893 PolarHBondContact O-N 2.72Å; K891-S893 VanDerWaalsContact O-N 3.11Å
892D81.8Confident87.6Confident62 Ų6254.5 Ų54.533%0.33233%0.332SS..G310 helixtrans-60.2-17.9172.9-60.436.2000114.5Y673 T768 Q890Y673-D892 PolarHBondContact OH-OD1 3.04Å; T768-D892 WeakPolarHBondContact CA-O 3.44Å; Q890-D892 PolarHBondContact O-N 2.76Å
893S85.4Confident87.6Confident57 Ų5755.6 Ų55.640%0.39934%0.337SS..G310 helixtrans-91.45.5-170.6810000114.5T768 Q890 K891 S895T768-S893 WeakPolarHBondContact CG2-O 3.42Å; Q890-S893 WeakPolarHBondContact O-CA 2.96Å; Q890-S893 VanDerWaalsContact O-CB 3.29Å; Q890-S893 WeakPolarHBondContact O-CB 3.43Å; Q890-S893 PolarHBondContact O-N 3.46Å; Q890-S893 PolarHBondContact O-OG 3.03Å; K891-S893 PolarHBondContact O-N 2.72Å; K891-S893 VanDerWaalsContact O-N 3.11Å; S893-S895 PolarHBondContact O-N 3.43Å; S893-S895 VanDerWaalsContact O-N 3.13Å
894W89.8Confident87.8Confident20 Ų2058.5 Ų58.58%0.07635%0.349CS..  trans-48.6117.9-179.6-173.893.4000112.9I711 Q720 T768 P880 V881 T882 L886I711-W894 HydrophobicContact CD1-CE3 4.35Å; I711-W894 HydrophobicContact CD1-CZ3 3.85Å; I711-W894 HydrophobicContact CG1-CZ3 4.31Å; Q720-W894 HydrophobicContact CB-CH2 4.31Å; T768-W894 WeakPolarHBondContact CG2-O 3.44Å; P880-W894 VanDerWaalsContact O-CZ2 3.3Å; P880-W894 WeakPolarHBondContact O-CZ2 3.4Å; V881-W894 HydrophobicContact CB-CD2 4.45Å; V881-W894 HydrophobicContact CB-CZ2 4.49Å; V881-W894 HydrophobicContact CG1-CD2 3.85Å; V881-W894 HydrophobicContact CG1-CE3 4.05Å; V881-W894 HydrophobicContact CG1-CG 4.07Å; V881-W894 HydrophobicContact CG2-CE3 4.21Å; V881-W894 HydrophobicContact CG2-CH2 3.97Å; V881-W894 HydrophobicContact CG2-CZ2 4.28Å; V881-W894 HydrophobicContact CG2-CZ3 3.93Å; T882-W894 PolarHBondContact OG1-NE1 2.7Å; T882-W894 VanDerWaalsContact OG1-NE1 3.16Å; L886-W894 HydrophobicContact CD1-CB 3.77Å; L886-W894 HydrophobicContact CD1-CG 4.41Å
895S86.4Confident87.9Confident102 Ų10265 Ų6571%0.71338%0.379SS*.  trans-119.4117.2-174.8860000112.1S893S893-S895 PolarHBondContact O-N 3.43Å; S893-S895 VanDerWaalsContact O-N 3.13Å
896G88.3Confident88Confident26 Ų2667.4 Ų67.427%0.26839%0.391SS..  trans-98.6-157.8174.200000113.3R898G896-R898 PolarHBondContact O-N 3.19Å
897M92Very high88.2Confident92 Ų9271.3 Ų71.345%0.45341%0.412SS..SBendtrans-55.7120.6175-169.9-171.2-171.400111.3P709 Q720 I722 L877P709-M897 HydrophobicContact CB-CB 4.25Å; P709-M897 HydrophobicContact CB-CG 4.45Å; P709-M897 HydrophobicContact CB-SD 4.07Å; P709-M897 HydrophobicContact CG-CB 4.08Å; P709-M897 HydrophobicContact CG-CG 4.01Å; P709-M897 VanDerWaalsContact CG-O 3.29Å; P709-M897 WeakPolarHBondContact CG-O 3.38Å; P709-M897 HydrophobicContact CG-SD 3.98Å; Q720-M897 PolarHBondContact NE2-O 3.48Å; I722-M897 HydrophobicContact CD1-CE 4.4Å; I722-M897 HydrophobicContact CD1-SD 3.93Å; L877-M897 HydrophobicContact CD2-SD 4.1Å
898R91.6Very high88.5Confident134 Ų13471.2 Ų71.251%0.50642%0.421SS..PPolyproline II helixtrans-66.4147.2175.2-79.4179.5-81.3171-10111.7G896 Q902 L903 D906G896-R898 PolarHBondContact O-N 3.19Å; R898-Q902 HydrophobicContact CB-CB 4.27Å; R898-L903 HydrophobicContact CB-CD2 3.85Å; R898-L903 HydrophobicContact CB-CG 3.85Å; R898-D906 IonicContact CZ-OD2 3.23Å; R898-D906 IonicContact NH1-OD2 3.44Å; R898-D906 PolarHBondContact NH1-OD2 2.85Å
899T92.3Very high89.5Confident13 Ų1372.5 Ų72.58%0.0842%0.418CS..PPolyproline II helixtrans-68.2155.4175.266.10000111.9Q765 G901 Q902 L903Q765-T899 HydrophobicContact CG-CG2 3.99Å; T899-G901 PolarHBondContact O-N 2.94Å; T899-G901 VanDerWaalsContact O-N 3.1Å; T899-Q902 PolarHBondContact O-N 3.41Å; T899-Q902 VanDerWaalsContact O-N 3.09Å; T899-Q902 PolarHBondContact OG1-N 3.46Å; T899-Q902 PolarHBondContact OG1-OE1 3.48Å; T899-L903 WeakPolarHBondContact O-CG 3.37Å; T899-L903 PolarHBondContact O-N 2.94Å
900L92.2Very high90.2Very high74 Ų7480 Ų8039%0.38742%0.424SS..Hα-helixtrans-59.5-23.3175.1-175.1144.8000113D708 K904D708-L900 WeakPolarHBondContact OD1-CB 3.18Å; D708-L900 PolarHBondContact OD1-N 3.18Å; L900-K904 HydrophobicContact CD2-CD 3.94Å; L900-K904 HydrophobicContact CD2-CG 4.46Å; L900-K904 WeakPolarHBondContact O-CB 3.5Å; L900-K904 WeakPolarHBondContact O-CG 3.43Å; L900-K904 PolarHBondContact O-N 3.12Å
901G90.3Very high90.3Very high47 Ų4780.4 Ų80.449%0.48543%0.429SS..Hα-helixtrans-67.9-52.1171.900000112.3T899 K904 H905T899-G901 PolarHBondContact O-N 2.94Å; T899-G901 VanDerWaalsContact O-N 3.1Å; G901-K904 PolarHBondContact O-N 3.04Å; G901-H905 PolarHBondContact O-N 2.89Å
902Q90.5Very high90.6Very high73 Ų7389.3 Ų89.334%0.34147%0.468SS..Hα-helixtrans-61-52.4175.7-71.5156.1-52.400110.8R898 T899 K904 H905 D906R898-Q902 HydrophobicContact CB-CB 4.27Å; T899-Q902 PolarHBondContact O-N 3.41Å; T899-Q902 VanDerWaalsContact O-N 3.09Å; T899-Q902 PolarHBondContact OG1-N 3.46Å; T899-Q902 PolarHBondContact OG1-OE1 3.48Å; Q902-K904 PolarHBondContact O-N 3.41Å; Q902-K904 VanDerWaalsContact O-N 3.11Å; Q902-H905 WeakPolarHBondContact O-CA 3.48Å; Q902-H905 WeakPolarHBondContact O-CB 3.19Å; Q902-H905 PolarHBondContact O-N 3.48Å; Q902-D906 PolarHBondContact O-N 3.26Å
903L92.8Very high91Very high64 Ų6490.3 Ų90.334%0.33548%0.478SS..Hα-helixtrans-55.2-36.3179.3-68171.8000113.1R898 T899 L907R898-L903 HydrophobicContact CB-CD2 3.85Å; R898-L903 HydrophobicContact CB-CG 3.85Å; T899-L903 WeakPolarHBondContact O-CG 3.37Å; T899-L903 PolarHBondContact O-N 2.94Å; L903-L907 VanDerWaalsContact O-CB 3.3Å; L903-L907 WeakPolarHBondContact O-CB 3.4Å; L903-L907 WeakPolarHBondContact O-CD1 2.88Å; L903-L907 WeakPolarHBondContact O-CG 3.4Å; L903-L907 PolarHBondContact O-N 3.46Å
904K93.8Very high91.4Very high64 Ų6491.8 Ų91.828%0.27848%0.482SS..Hα-helixtrans-74.5-32.6174.1-80-171.4173.2-174.70113.8L900 G901 Q902 G908 I909 N911L900-K904 HydrophobicContact CD2-CD 3.94Å; L900-K904 HydrophobicContact CD2-CG 4.46Å; L900-K904 WeakPolarHBondContact O-CB 3.5Å; L900-K904 WeakPolarHBondContact O-CG 3.43Å; L900-K904 PolarHBondContact O-N 3.12Å; G901-K904 PolarHBondContact O-N 3.04Å; Q902-K904 PolarHBondContact O-N 3.41Å; Q902-K904 VanDerWaalsContact O-N 3.11Å; K904-G908 CarbonylContact O-C 3.56Å; K904-G908 PolarHBondContact O-N 2.94Å; K904-I909 HydrophobicContact CB-CB 4.42Å; K904-I909 HydrophobicContact CG-CB 4.24Å; K904-I909 PolarHBondContact O-N 2.95Å; K904-N911 PolarHBondContact NZ-OD1 2.96Å
905H92.5Very high91.6Very high152 Ų15294.6 Ų94.670%0.70450%0.502SS*.Hα-helixtrans-66.5-51.7174.4175-90.4000110.3G901 Q902 L907 G908G901-H905 PolarHBondContact O-N 2.89Å; Q902-H905 WeakPolarHBondContact O-CA 3.48Å; Q902-H905 WeakPolarHBondContact O-CB 3.19Å; Q902-H905 PolarHBondContact O-N 3.48Å; H905-L907 VanDerWaalsContact C-N 3.28Å; H905-L907 PolarHBondContact O-N 3.48Å; H905-G908 PolarHBondContact O-N 2.89Å
906D93.2Very high91.8Very high83 Ų8396.3 Ų96.344%0.44450%0.504SS..Hα-helixtrans-64.3-32.3-176-51.3-15.3000111.9R898 Q902R898-D906 IonicContact CZ-OD2 3.23Å; R898-D906 IonicContact NH1-OD2 3.44Å; R898-D906 PolarHBondContact NH1-OD2 2.85Å; Q902-D906 PolarHBondContact O-N 3.26Å
907L95.4Very high91.9Very high126 Ų12699.2 Ų99.266%0.6652%0.52SS*.THydrogen-bonded Turntrans-89.62.8173.1-62.8172.5000114L903 H905 I909L903-L907 VanDerWaalsContact O-CB 3.3Å; L903-L907 WeakPolarHBondContact O-CB 3.4Å; L903-L907 WeakPolarHBondContact O-CD1 2.88Å; L903-L907 WeakPolarHBondContact O-CG 3.4Å; L903-L907 PolarHBondContact O-N 3.46Å; H905-L907 VanDerWaalsContact C-N 3.28Å; H905-L907 PolarHBondContact O-N 3.48Å; L907-I909 HydrophobicContact CB-CD1 3.77Å; L907-I909 HydrophobicContact CB-CG1 3.79Å; L907-I909 HydrophobicContact CD1-CD1 4Å; L907-I909 WeakPolarHBondContact O-CG1 3.43Å; L907-I909 PolarHBondContact O-N 3.22Å
908G94.3Very high92Very high55 Ų5599.3 Ų99.357%0.56752%0.521SS*.THydrogen-bonded Turntrans67.29.5-178.800000116.3K904 H905 R910K904-G908 CarbonylContact O-C 3.56Å; K904-G908 PolarHBondContact O-N 2.94Å; H905-G908 PolarHBondContact O-N 2.89Å; G908-R910 PolarHBondContact O-N 3.46Å
909I95.5Very high92.2Very high92 Ų92104.4 Ų104.447%0.47254%0.542SS..  trans-77.185.9-170.6-54.7176.4000111.5K904 L907 N911K904-I909 HydrophobicContact CB-CB 4.42Å; K904-I909 HydrophobicContact CG-CB 4.24Å; K904-I909 PolarHBondContact O-N 2.95Å; L907-I909 HydrophobicContact CB-CD1 3.77Å; L907-I909 HydrophobicContact CB-CG1 3.79Å; L907-I909 HydrophobicContact CD1-CD1 4Å; L907-I909 WeakPolarHBondContact O-CG1 3.43Å; L907-I909 PolarHBondContact O-N 3.22Å; I909-N911 PolarHBondContact O-N 3.37Å
910R91Very high92.2Very high229 Ų229109.8 Ų109.886%0.86457%0.565SS**  trans-63.4124.7174.6-65.2-174-179.5-172.50.2112.1G908 K912G908-R910 PolarHBondContact O-N 3.46Å; R910-K912 PolarHBondContact O-N 2.93Å
911N85.5Confident92.3Very high119 Ų119112.4 Ų112.464%0.63659%0.586SS**  trans-81.397.9-174.9-171.378.1000112.7K904 I909 P913K904-N911 PolarHBondContact NZ-OD1 2.96Å; I909-N911 PolarHBondContact O-N 3.37Å; N911-P913 WeakPolarHBondContact O-CD 3.34Å
912K89.3Confident92.4Very high192 Ų192115.5 Ų115.584%0.83560%0.595SS**PPolyproline II helixtrans-76.8117.1176.1-62.9-179.8-177.51770111.1R910R910-K912 PolarHBondContact O-N 2.93Å
913P89.9Confident92.5Very high82 Ų82118.9 Ų118.953%0.53262%0.62SS.*PPolyproline II helixtrans-75.5151.2177.431.4-34.9000111.9N911 L918N911-P913 WeakPolarHBondContact O-CD 3.34Å; P913-L918 HydrophobicContact CB-CD2 4.21Å; P913-L918 HydrophobicContact CG-CD1 4.37Å; P913-L918 HydrophobicContact CG-CD2 4.39Å
914N92.8Very high92.5Very high89 Ų89126.3 Ų126.348%0.47664%0.644SS.*PPolyproline II helixtrans-69.6123.9173.3177.7-32000110D916 S917N914-D916 PolarHBondContact O-N 2.94Å; N914-D916 WeakPolarHBondContact OD1-CB 3.24Å; N914-D916 PolarHBondContact OD1-N 3.37Å; N914-S917 WeakPolarHBondContact O-CB 3.47Å; N914-S917 PolarHBondContact O-N 3.47Å
915P93.4Very high92.4Very high79 Ų79127.5 Ų127.551%0.51367%0.666SS.*THydrogen-bonded Turntrans-65.9-18.7-175.128-36.6000114.8K920P915-K920 VanDerWaalsContact O-CE 3.25Å; P915-K920 WeakPolarHBondContact O-CE 3.47Å; P915-K920 PolarHBondContact O-NZ 2.89Å
916D91.3Very high92.3Very high138 Ų138125.8 Ų125.874%0.73867%0.668SS**THydrogen-bonded Turntrans-86.8-15.3175.3-63.3-31000112.7N914N914-D916 PolarHBondContact O-N 2.94Å; N914-D916 WeakPolarHBondContact OD1-CB 3.24Å; N914-D916 PolarHBondContact OD1-N 3.37Å
917S91.3Very high92.3Very high87 Ų87130 Ų13061%0.60868%0.678SS**SBendtrans-89.1-8.2173.7-60.20000113.3N914N914-S917 WeakPolarHBondContact O-CB 3.47Å; N914-S917 PolarHBondContact O-N 3.47Å
918L94.2Very high92.1Very high93 Ų93134.9 Ų134.949%0.48769%0.688SS.*SBendtrans-82.3128.4176.1-64.7177000110.6P913P913-L918 HydrophobicContact CB-CD2 4.21Å; P913-L918 HydrophobicContact CG-CD1 4.37Å; P913-L918 HydrophobicContact CG-CD2 4.39Å
919Y94.3Very high92.1Very high241 Ų241139.4 Ų139.495%0.94569%0.692SS**  trans-65.1134.6174.4-65-67000111
920K93.1Very high91.9Very high127 Ų127142.2 Ų142.255%0.55271%0.708SS**  trans-128142179.8-63.9164.4-166167.60108.4P915 V922P915-K920 VanDerWaalsContact O-CE 3.25Å; P915-K920 WeakPolarHBondContact O-CE 3.47Å; P915-K920 PolarHBondContact O-NZ 2.89Å; K920-V922 WeakPolarHBondContact O-CG2 3.45Å; K920-V922 PolarHBondContact O-N 2.82Å
921P94.1Very high91.9Very high128 Ų128137.1 Ų137.183%0.83170%0.704SS**  trans-66.4119.7-179.626.2-33.5000111.1V923P921-V923 PolarHBondContact O-N 2.84Å
922V91.6Very high92.2Very high113 Ų113138.5 Ų138.569%0.68571%0.711SS**  trans-95.593.2-173.8-174.40000111.3K920 R924K920-V922 WeakPolarHBondContact O-CG2 3.45Å; K920-V922 PolarHBondContact O-N 2.82Å; V922-R924 HydrophobicContact CG1-CG 4.15Å; V922-R924 PolarHBondContact O-N 2.91Å
923V93.8Very high92.2Very high143 Ų143136.7 Ų136.787%0.86771%0.705SS**  trans-73.1114.7171.8-176.90000109.6P921P921-V923 PolarHBondContact O-N 2.84Å
924R91.9Very high92.2Very high221 Ų221134.8 Ų134.883%0.83469%0.69SS**  trans-97.4119.9-178.4-62.7-172.9-177.7-151.80.4111.5V922V922-R924 HydrophobicContact CG1-CG 4.15Å; V922-R924 PolarHBondContact O-N 2.91Å
925A92.4Very high92.3Very high89 Ų89134 Ų13474%0.73669%0.69SS**  trans-64.6145.2171.200000111.6R927A925-R927 PolarHBondContact O-N 2.9Å
926P90.4Very high92.1Very high115 Ų115138 Ų13875%0.74770%0.699SS**  trans-69.8104-179.527.6-34.2000111.1R928P926-R928 PolarHBondContact O-N 2.99Å
927R91.7Very high92.3Very high173 Ų173139.1 Ų139.165%0.65370%0.7SS**  trans-59.5108.8-179.6-172.7176.4-174.8-179.51.3110.9A925 F929A925-R927 PolarHBondContact O-N 2.9Å; R927-F929 HydrophobicContact CG-CE1 4.48Å; R927-F929 HydrophobicContact CG-CE2 4.22Å; R927-F929 HydrophobicContact CG-CZ 4.14Å
928R92.2Very high92.3Very high228 Ų228139.6 Ų139.686%0.8670%0.695SS**PPolyproline II helixtrans-90.4132167.3-59.6-177.1-173.7-175.82.8108.2P926P926-R928 PolarHBondContact O-N 2.99Å
929F93.5Very high92.1Very high149 Ų149137.4 Ų137.465%0.65468%0.682SS**PPolyproline II helixtrans-92.7153.5173.8-65.3-90.2000110.1R927R927-F929 HydrophobicContact CG-CE1 4.48Å; R927-F929 HydrophobicContact CG-CE2 4.22Å; R927-F929 HydrophobicContact CG-CZ 4.14Å
930N92.8Very high91.9Very high152 Ų152133.9 Ų133.981%0.81367%0.672SS**PPolyproline II helixtrans-66.6149.4173.4-69-2.4000110.3
931P90.8Very high91.9Very high121 Ų121131.9 Ų131.979%0.78668%0.679SS**PPolyproline II helixtrans-63154.3174.228.3-35.5000111.5H933P931-H933 PolarHBondContact O-N 3.41Å; P931-H933 VanDerWaalsContact O-N 3.11Å
932L90.6Very high91.7Very high149 Ų149128 Ų12878%0.7865%0.651SS**  trans-62.2112.1178.8179.163.7000111I934L932-I934 HydrophobicContact CD2-CG1 4.36Å; L932-I934 HydrophobicContact CG-CG1 4.25Å
933H89.3Confident91.9Very high153 Ų153126.9 Ų126.971%0.70865%0.646SS**  trans-91.8105.6174.7178.9-77.6000110.4P931P931-H933 PolarHBondContact O-N 3.41Å; P931-H933 VanDerWaalsContact O-N 3.11Å
934I90.2Very high91.7Very high43 Ų43128.9 Ų128.922%0.22164%0.644CS.*  trans-81.8129.2175.8-62.1171.3000109.1L932 L938 Q939 P948L932-I934 HydrophobicContact CD2-CG1 4.36Å; L932-I934 HydrophobicContact CG-CG1 4.25Å; I934-L938 HydrophobicContact CG2-CB 4.22Å; I934-L938 HydrophobicContact CG2-CD2 3.86Å; I934-Q939 HydrophobicContact CG2-CB 4.13Å; I934-P948 HydrophobicContact CD1-CG 4.15Å
935P94.4Very high91.7Very high72 Ų72128.2 Ų128.247%0.46865%0.647SS.*  trans-57.9140.7175.1-25.235000112.5E937 L938 Q939P935-E937 VanDerWaalsContact C-N 3.25Å; P935-E937 PolarHBondContact O-N 3.01Å; P935-L938 HydrophobicContact CB-CB 4.39Å; P935-L938 PolarHBondContact O-N 3.03Å; P935-L938 VanDerWaalsContact O-N 3.15Å; P935-Q939 PolarHBondContact O-N 2.93Å
936K90.8Very high91.6Very high163 Ų163127.2 Ų127.271%0.70963%0.634SS**Hα-helixtrans-60-33.2-175.8-68-179.6179.5176.10113.2K940K936-K940 WeakPolarHBondContact O-CG 3.22Å; K936-K940 PolarHBondContact O-N 3.25Å
937E94.1Very high91.4Very high161 Ų161125.8 Ų125.875%0.75262%0.616SS**Hα-helixtrans-65.3-51.4174.4-73144.3-147.800111.5P935 Q939 K940 A941P935-E937 VanDerWaalsContact C-N 3.25Å; P935-E937 PolarHBondContact O-N 3.01Å; E937-Q939 VanDerWaalsContact C-N 3.3Å; E937-Q939 PolarHBondContact O-N 3.02Å; E937-K940 WeakPolarHBondContact O-CB 3.43Å; E937-K940 PolarHBondContact O-N 2.8Å; E937-A941 PolarHBondContact O-N 3.28Å
938L91.6Very high91.2Very high98 Ų98119.5 Ų119.551%0.51360%0.598SS.*Hα-helixtrans-58-44.1174.3-160.992.7000110.8I934 P935 K940 A941 L942I934-L938 HydrophobicContact CG2-CB 4.22Å; I934-L938 HydrophobicContact CG2-CD2 3.86Å; P935-L938 HydrophobicContact CB-CB 4.39Å; P935-L938 PolarHBondContact O-N 3.03Å; P935-L938 VanDerWaalsContact O-N 3.15Å; L938-K940 PolarHBondContact O-N 3.4Å; L938-A941 CarbonylContact O-C 3.53Å; L938-A941 PolarHBondContact O-N 3.17Å; L938-A941 VanDerWaalsContact O-N 3.1Å; L938-L942 WeakPolarHBondContact O-CG 3.4Å; L938-L942 PolarHBondContact O-N 3.1Å
939Q89.7Confident90.8Very high47 Ų47118 Ų11822%0.2260%0.597CS.*Hα-helixtrans-62.4-28.2177.7-166.3-175.816.200113.2I934 P935 E937 K947 P948I934-Q939 HydrophobicContact CG2-CB 4.13Å; P935-Q939 PolarHBondContact O-N 2.93Å; E937-Q939 VanDerWaalsContact C-N 3.3Å; E937-Q939 PolarHBondContact O-N 3.02Å; Q939-K947 WeakPolarHBondContact O-CE 3.44Å; Q939-K947 PolarHBondContact O-NZ 2.8Å; Q939-P948 HydrophobicContact CG-CG 4.08Å
940K89.9Confident90.1Very high166 Ų166117.1 Ų117.172%0.72260%0.596SS**Hα-helixtrans-71.8-47.5170.5-75.9175178.1-175.70111.1K936 E937 L938 K947K936-K940 WeakPolarHBondContact O-CG 3.22Å; K936-K940 PolarHBondContact O-N 3.25Å; E937-K940 WeakPolarHBondContact O-CB 3.43Å; E937-K940 PolarHBondContact O-N 2.8Å; L938-K940 PolarHBondContact O-N 3.4Å; K940-K947 PolarHBondContact O-NZ 3.2Å
941A93.5Very high89.3Confident85 Ų85117.8 Ų117.870%0.70259%0.594SS**Hα-helixtrans-74.9-19.4-17600000115.1E937 L938E937-A941 PolarHBondContact O-N 3.28Å; L938-A941 CarbonylContact O-C 3.53Å; L938-A941 PolarHBondContact O-N 3.17Å; L938-A941 VanDerWaalsContact O-N 3.1Å
942L91.3Very high88.4Confident46 Ų46120.3 Ų120.324%0.24160%0.595CS.*SBendtrans-58.4129.8176.5-82.2176.1000111.5L938 K947L938-L942 WeakPolarHBondContact O-CG 3.4Å; L938-L942 PolarHBondContact O-N 3.1Å; L942-K947 HydrophobicContact CB-CB 4.49Å
943P94.3Very high87.5Confident90 Ų90119.3 Ų119.358%0.58460%0.598SS**  trans-50.8146.6173-29.735.6000113.2K945 S946 K947P943-K945 PolarHBondContact O-N 2.89Å; P943-S946 PolarHBondContact O-N 2.88Å; P943-S946 PolarHBondContact O-OG 3.32Å; P943-S946 VanDerWaalsContact O-OG 3.07Å; P943-K947 PolarHBondContact O-N 3.39Å
944F89.3Confident86.4Confident186 Ų186120.1 Ų120.182%0.81660%0.599SS**THydrogen-bonded Turntrans-51-36.9-171.9-177.8-100.4000114.4
945K92.7Very high85.3Confident207 Ų207121 Ų12190%0.962%0.618SS**THydrogen-bonded Turntrans-70.3-30.8178.9-170.6175.3-179.61790113.9P943P943-K945 PolarHBondContact O-N 2.89Å
946S89.8Confident84.2Confident68 Ų68127.7 Ų127.748%0.47664%0.64SS.*THydrogen-bonded Turntrans-97.8-11.1-179.858.70000113.7P943P943-S946 PolarHBondContact O-N 2.88Å; P943-S946 PolarHBondContact O-OG 3.32Å; P943-S946 VanDerWaalsContact O-OG 3.07Å
947K87.9Confident83.2Confident85 Ų85123 Ų12337%0.3763%0.625SS.*SBendtrans-62.7121.7179.3-166.3162.4-174.1152.90111.3Q939 K940 L942 P943 K949Q939-K947 WeakPolarHBondContact O-CE 3.44Å; Q939-K947 PolarHBondContact O-NZ 2.8Å; K940-K947 PolarHBondContact O-NZ 3.2Å; L942-K947 HydrophobicContact CB-CB 4.49Å; P943-K947 PolarHBondContact O-N 3.39Å; K947-K949 PolarHBondContact O-N 2.83Å
948P86.1Confident82.2Confident40 Ų40118.7 Ų118.726%0.2661%0.612SS.*  trans-69.1123.5-173.627.4-35.5000111.2I934 Q939 Q950I934-P948 HydrophobicContact CD1-CG 4.15Å; Q939-P948 HydrophobicContact CG-CG 4.08Å; P948-Q950 HydrophobicContact CB-CG 4.47Å; P948-Q950 PolarHBondContact O-N 2.91Å
949K84.9Confident81.1Confident196 Ų196122.3 Ų122.385%0.85262%0.623SS**  trans-75.753.7-179.8-61.5-176.2-179.2-179.20112.6K947 Q951K947-K949 PolarHBondContact O-N 2.83Å; K949-Q951 PolarHBondContact O-N 3.15Å
950Q78.7Confident80.2Confident132 Ų132127.3 Ų127.362%0.61765%0.651SS**  trans-69.6107.1172-71175.3-12.600109.1P948 Q952P948-Q950 HydrophobicContact CB-CG 4.47Å; P948-Q950 PolarHBondContact O-N 2.91Å; Q950-Q952 PolarHBondContact O-N 3.3Å
951Q74.9Confident79.2Confident166 Ų166126 Ų12678%0.77665%0.652SS**PPolyproline II helixtrans-65.2131.8165.9-63.1-174.314.800108.2K949K949-Q951 PolarHBondContact O-N 3.15Å
952Q72.8Confident77.9Confident174 Ų174127 Ų12781%0.81364%0.641SS**PPolyproline II helixtrans-60.6145.2165.8-66-174.36.900108.7Q950 K954Q950-Q952 PolarHBondContact O-N 3.3Å; Q952-K954 PolarHBondContact O-N 2.81Å
953P70.8Confident76.9Confident128 Ų128135.8 Ų135.883%0.83167%0.671SS**PPolyproline II helixtrans-57.6118.5172.425.6-33.3000108G955P953-G955 PolarHBondContact O-N 3.42Å
954K66Low75.5Confident169 Ų169137.5 Ų137.574%0.73568%0.683SS**PPolyproline II helixtrans-56.6126.5179.3-67.4-176178.8-1770108.2Q952Q952-K954 PolarHBondContact O-N 2.81Å
955G68.9Low74.4Confident61 Ų61133.5 Ų133.563%0.62968%0.678SS**PPolyproline II helixtrans-56.5164.516600000110.3P953 T957P953-G955 PolarHBondContact O-N 3.42Å; G955-T957 PolarHBondContact O-N 3.18Å
956K70.1Confident73.6Confident213 Ų213130 Ų13093%0.92667%0.673SS**  trans-50.5114.1175.4-67.2-177.8-178.5178.30108.5
957T69.5Low73Confident64 Ų64134.1 Ų134.139%0.39369%0.689SS.*  trans-60.9136.2177.2370000108.6G955 Q962G955-T957 PolarHBondContact O-N 3.18Å; T957-Q962 PolarHBondContact O-NE2 2.91Å; T957-Q962 WeakPolarHBondContact OG1-CG 3.49Å; T957-Q962 PolarHBondContact OG1-NE2 3.35Å
958P73.9Confident72.7Confident72 Ų72137.7 Ų137.747%0.46870%0.7SS.*  trans-58.8146.3174.626.8-34.2000109.1D960 L961 Q962P958-D960 PolarHBondContact O-N 3.1Å; P958-D960 VanDerWaalsContact O-N 3.09Å; P958-L961 HydrophobicContact CG-CB 4.3Å; P958-L961 HydrophobicContact CG-CD1 3.97Å; P958-L961 HydrophobicContact CG-CG 4.25Å; P958-L961 PolarHBondContact O-N 3.42Å; P958-Q962 PolarHBondContact O-N 3.15Å
959K67.2Low72.8Confident174 Ų174141.9 Ų141.976%0.75772%0.716SS**G310 helixtrans-54.2-35.5-172.1-77.9-174.8173.7-177.80112.2L961 Q962K959-L961 PolarHBondContact O-N 3.3Å; K959-Q962 WeakPolarHBondContact O-CB 3.49Å; K959-Q962 PolarHBondContact O-N 2.88Å
960D71.4Confident73Confident152 Ų152137.5 Ų137.581%0.81371%0.708SS**G310 helixtrans-69.5-18-175.1-31.5-65.8000112.6P958P958-D960 PolarHBondContact O-N 3.1Å; P958-D960 VanDerWaalsContact O-N 3.09Å
961L68.6Low73.6Confident139 Ų139137.4 Ų137.473%0.72871%0.707SS**G310 helixtrans-103.32.2171.4-66177.2000113.2P958 K959 R963P958-L961 HydrophobicContact CG-CB 4.3Å; P958-L961 HydrophobicContact CG-CD1 3.97Å; P958-L961 HydrophobicContact CG-CG 4.25Å; P958-L961 PolarHBondContact O-N 3.42Å; K959-L961 PolarHBondContact O-N 3.3Å; L961-R963 PolarHBondContact O-N 3.49Å
962Q67.1Low74.2Confident104 Ų104133.7 Ų133.749%0.48669%0.689SS.*SBendtrans-86.7104.2170.5-64-175.413.700109.3T957 P958 K959T957-Q962 PolarHBondContact O-NE2 2.91Å; T957-Q962 WeakPolarHBondContact OG1-CG 3.49Å; T957-Q962 PolarHBondContact OG1-NE2 3.35Å; P958-Q962 PolarHBondContact O-N 3.15Å; K959-Q962 WeakPolarHBondContact O-CB 3.49Å; K959-Q962 PolarHBondContact O-N 2.88Å
963R70.4Confident74.9Confident231 Ų231134.4 Ų134.487%0.87269%0.685SS**  trans-54.3135.2165.8-70.8-175.7174.6-170.8-3.4109L961 S965L961-R963 PolarHBondContact O-N 3.49Å; R963-S965 PolarHBondContact O-N 3.39Å; R963-S965 VanDerWaalsContact O-N 3.08Å
964P64.2Low75.8Confident127 Ų127135.8 Ų135.883%0.82568%0.678SS**  trans-59.4116.6-177.923.3-33.4000110.3V966P964-V966 PolarHBondContact O-N 3.02Å
965S66.1Low77Confident101 Ų101130.7 Ų130.771%0.70666%0.661SS**  trans-78.8114.617957.60000109.8R963 I967R963-S965 PolarHBondContact O-N 3.39Å; R963-S965 VanDerWaalsContact O-N 3.08Å; S965-I967 PolarHBondContact O-N 2.96Å; S965-I967 VanDerWaalsContact O-N 3.11Å
966V76.8Confident78.1Confident133 Ų133129.5 Ų129.581%0.80664%0.644SS**  trans-57.4117173.5-178.20000109.2P964 R968P964-V966 PolarHBondContact O-N 3.02Å; V966-R968 PolarHBondContact O-N 3.15Å
967I76.4Confident79.1Confident156 Ų156122.1 Ų122.180%0.862%0.623SS**  trans-80.4111.2177.9-59.6176.1000107.3S965S965-I967 PolarHBondContact O-N 2.96Å; S965-I967 VanDerWaalsContact O-N 3.11Å
968R82.6Confident80.3Confident160 Ų160124 Ų12460%0.60463%0.631SS**  trans-60.9142.2179.6-74.1-170.4-179.21122.4112.4V966 E972V966-R968 PolarHBondContact O-N 3.15Å; R968-E972 WeakPolarHBondContact CA-OE2 3.42Å; R968-E972 HydrophobicContact CB-CB 3.99Å; R968-E972 WeakPolarHBondContact CB-OE2 3.45Å; R968-E972 HydrophobicContact CG-CB 4.34Å
969E86.9Confident81.3Confident127 Ų127125.7 Ų125.759%0.59364%0.635SS**  trans-63.1160176.4-65.6-166.6161.200112.5H971 E972 R973E969-H971 PolarHBondContact O-N 3.4Å; E969-H971 VanDerWaalsContact O-N 3.15Å; E969-E972 HydrophobicContact CB-CB 4.44Å; E969-E972 HydrophobicContact CB-CG 4.19Å; E969-E972 PolarHBondContact N-OE2 3.5Å; E969-E972 PolarHBondContact O-N 3.35Å; E969-R973 VanDerWaalsContact O-CB 3.28Å; E969-R973 WeakPolarHBondContact O-CB 3.32Å; E969-R973 PolarHBondContact O-N 3.37Å
970P90.3Very high82.6Confident105 Ų105123.4 Ų123.468%0.68263%0.627SS**Hα-helixtrans-56-31.3176.4-26.635.8000114.1K974P970-K974 WeakPolarHBondContact O-CG 3.32Å; P970-K974 PolarHBondContact O-N 3.2Å
971H89.8Confident83.7Confident130 Ų130118.3 Ų118.360%0.60261%0.606SS**Hα-helixtrans-73.4-54.8174.5179.7-114.8000111.8E969 R973 K974 V975E969-H971 PolarHBondContact O-N 3.4Å; E969-H971 VanDerWaalsContact O-N 3.15Å; H971-R973 PolarHBondContact O-N 2.87Å; H971-K974 WeakPolarHBondContact O-CA 3.2Å; H971-K974 WeakPolarHBondContact O-CB 3.34Å; H971-K974 PolarHBondContact O-N 2.83Å; H971-V975 PolarHBondContact O-N 2.94Å
972E88.4Confident85Confident88 Ų88116.6 Ų116.641%0.41160%0.597SS.*Hα-helixtrans-54.1-37.5175.8-66.4-171118.400112.8R968 E969 V975 A976R968-E972 WeakPolarHBondContact CA-OE2 3.42Å; R968-E972 HydrophobicContact CB-CB 3.99Å; R968-E972 WeakPolarHBondContact CB-OE2 3.45Å; R968-E972 HydrophobicContact CG-CB 4.34Å; E969-E972 HydrophobicContact CB-CB 4.44Å; E969-E972 HydrophobicContact CB-CG 4.19Å; E969-E972 PolarHBondContact N-OE2 3.5Å; E969-E972 PolarHBondContact O-N 3.35Å; E972-V975 PolarHBondContact O-N 2.9Å; E972-A976 VanDerWaalsContact O-CB 3.29Å; E972-A976 WeakPolarHBondContact O-CB 3.41Å; E972-A976 PolarHBondContact O-N 3.48Å
973R87Confident86.4Confident189 Ų189114.2 Ų114.271%0.71359%0.592SS**Hα-helixtrans-64.9-37.5177.1-174.5174.9177.2178.2-1.8111.9E969 H971 A977E969-R973 VanDerWaalsContact O-CB 3.28Å; E969-R973 WeakPolarHBondContact O-CB 3.32Å; E969-R973 PolarHBondContact O-N 3.37Å; H971-R973 PolarHBondContact O-N 2.87Å; R973-A977 VanDerWaalsContact O-CB 3.31Å; R973-A977 WeakPolarHBondContact O-CB 3.47Å; R973-A977 PolarHBondContact O-N 3.03Å
974K90.8Very high87.6Confident157 Ų157106.3 Ų106.368%0.68357%0.569SS**Hα-helixtrans-66.8-45.5171.9-71.2170.8-179.6-179.70110.9P970 H971 A977 L978P970-K974 WeakPolarHBondContact O-CG 3.32Å; P970-K974 PolarHBondContact O-N 3.2Å; H971-K974 WeakPolarHBondContact O-CA 3.2Å; H971-K974 WeakPolarHBondContact O-CB 3.34Å; H971-K974 PolarHBondContact O-N 2.83Å; K974-A977 PolarHBondContact O-N 3.13Å; K974-L978 WeakPolarHBondContact O-CB 3.42Å; K974-L978 PolarHBondContact O-N 3Å
975V91.5Very high89.1Confident62 Ų62103.9 Ų103.938%0.37655%0.552SS.*Hα-helixtrans-61.4-46.7177.5176.90000111.3H971 E972 A977 L978 L979H971-V975 PolarHBondContact O-N 2.94Å; E972-V975 PolarHBondContact O-N 2.9Å; V975-A977 VanDerWaalsContact C-N 3.35Å; V975-A977 PolarHBondContact O-N 2.82Å; V975-L978 PolarHBondContact O-N 3.46Å; V975-L979 HydrophobicContact CG1-CD1 4.02Å; V975-L979 HydrophobicContact CG1-CG 4.43Å; V975-L979 WeakPolarHBondContact O-CG 3.46Å; V975-L979 PolarHBondContact O-N 2.58Å
976A90.6Very high90.5Very high35 Ų35104.1 Ų104.129%0.28954%0.542SS..Hα-helixtrans-63.8-37.9177.400000112.6E972 H980E972-A976 VanDerWaalsContact O-CB 3.29Å; E972-A976 WeakPolarHBondContact O-CB 3.41Å; E972-A976 PolarHBondContact O-N 3.48Å; A976-H980 WeakPolarHBondContact O-CB 3.37Å; A976-H980 PolarHBondContact O-N 3.32Å
977A92.2Very high91.4Very high59 Ų59102.6 Ų102.649%0.48853%0.529SS..Hα-helixtrans-66-40.7173.600000112.1R973 K974 V975 H980 A981R973-A977 VanDerWaalsContact O-CB 3.31Å; R973-A977 WeakPolarHBondContact O-CB 3.47Å; R973-A977 PolarHBondContact O-N 3.03Å; K974-A977 PolarHBondContact O-N 3.13Å; V975-A977 VanDerWaalsContact C-N 3.35Å; V975-A977 PolarHBondContact O-N 2.82Å; A977-H980 PolarHBondContact O-N 3.26Å; A977-A981 PolarHBondContact O-N 3.26Å
978L94.1Very high92.3Very high104 Ų104102.3 Ų102.355%0.54552%0.519SS..Hα-helixtrans-63.8-45.5174.9179.761.3000111.5K974 V975 H980 A981 L982K974-L978 WeakPolarHBondContact O-CB 3.42Å; K974-L978 PolarHBondContact O-N 3Å; V975-L978 PolarHBondContact O-N 3.46Å; L978-H980 VanDerWaalsContact C-N 3.3Å; L978-H980 PolarHBondContact O-N 2.8Å; L978-A981 WeakPolarHBondContact O-CB 3.41Å; L978-A981 PolarHBondContact O-N 3.01Å; L978-A981 VanDerWaalsContact O-N 3.14Å; L978-L982 HydrophobicContact CD1-CD1 4.22Å; L978-L982 HydrophobicContact CD1-CG 4.23Å; L978-L982 HydrophobicContact CG-CD1 4.01Å; L978-L982 HydrophobicContact CG-CG 4.44Å; L978-L982 WeakPolarHBondContact O-CB 3.34Å; L978-L982 WeakPolarHBondContact O-CG 3.47Å; L978-L982 PolarHBondContact O-N 3.11Å
979L94.6Very high92.9Very high106 Ų106101.6 Ų101.656%0.55552%0.52SS*.Hα-helixtrans-63-35.4175.5-69171.9000112.3V975 S983V975-L979 HydrophobicContact CG1-CD1 4.02Å; V975-L979 HydrophobicContact CG1-CG 4.43Å; V975-L979 WeakPolarHBondContact O-CG 3.46Å; V975-L979 PolarHBondContact O-N 2.58Å; L979-S983 VanDerWaalsContact O-CB 3.31Å; L979-S983 WeakPolarHBondContact O-CB 3.24Å; L979-S983 PolarHBondContact O-N 2.86Å; L979-S983 PolarHBondContact O-OG 3Å
980H94.9Very high93.3Very high126 Ų126103.8 Ų103.858%0.58352%0.523SS*.Hα-helixtrans-67.4-39.9171.9-174.5-93.1000112.3A976 A977 L978 S983 T984A976-H980 WeakPolarHBondContact O-CB 3.37Å; A976-H980 PolarHBondContact O-N 3.32Å; A977-H980 PolarHBondContact O-N 3.26Å; L978-H980 VanDerWaalsContact C-N 3.3Å; L978-H980 PolarHBondContact O-N 2.8Å; H980-S983 WeakPolarHBondContact CA-OG 3.5Å; H980-S983 PolarHBondContact O-OG 3.03Å; H980-T984 WeakPolarHBondContact O-CB 3.27Å; H980-T984 WeakPolarHBondContact O-CG2 3.24Å; H980-T984 PolarHBondContact O-N 3.47Å; H980-T984 PolarHBondContact O-OG1 3.38Å
981A94.6Very high93.5Very high46 Ų46105.6 Ų105.638%0.3852%0.52SS..Hα-helixtrans-65.2-46.4174.700000111.8A977 L978 T984 V985A977-A981 PolarHBondContact O-N 3.26Å; L978-A981 WeakPolarHBondContact O-CB 3.41Å; L978-A981 PolarHBondContact O-N 3.01Å; L978-A981 VanDerWaalsContact O-N 3.14Å; A981-T984 WeakPolarHBondContact CA-OG1 3.11Å; A981-T984 PolarHBondContact O-N 3.4Å; A981-T984 PolarHBondContact O-OG1 2.91Å; A981-V985 WeakPolarHBondContact O-CB 2.98Å; A981-V985 VanDerWaalsContact O-CG2 3.3Å; A981-V985 WeakPolarHBondContact O-CG2 3.47Å; A981-V985 PolarHBondContact O-N 2.77Å
982L95.6Very high93.7Very high102 Ų102101.5 Ų101.553%0.53450%0.503SS..Hα-helixtrans-62.9-43.9178-70.5171.8000112.1L978 V985 H986L978-L982 HydrophobicContact CD1-CD1 4.22Å; L978-L982 HydrophobicContact CD1-CG 4.23Å; L978-L982 HydrophobicContact CG-CD1 4.01Å; L978-L982 HydrophobicContact CG-CG 4.44Å; L978-L982 WeakPolarHBondContact O-CB 3.34Å; L978-L982 WeakPolarHBondContact O-CG 3.47Å; L978-L982 PolarHBondContact O-N 3.11Å; L982-V985 PolarHBondContact O-N 3.27Å; L982-H986 WeakPolarHBondContact O-CB 3.49Å; L982-H986 PolarHBondContact O-N 3.17Å
983S96.1Very high94Very high54 Ų5499.7 Ų99.738%0.37850%0.503SS..Hα-helixtrans-69.3-36.9178.155.50000112.9L979 H980 H986 N987L979-S983 VanDerWaalsContact O-CB 3.31Å; L979-S983 WeakPolarHBondContact O-CB 3.24Å; L979-S983 PolarHBondContact O-N 2.86Å; L979-S983 PolarHBondContact O-OG 3Å; H980-S983 WeakPolarHBondContact CA-OG 3.5Å; H980-S983 PolarHBondContact O-OG 3.03Å; S983-H986 PolarHBondContact O-N 3.41Å; S983-N987 VanDerWaalsContact O-CB 3.29Å; S983-N987 WeakPolarHBondContact O-CB 3.49Å; S983-N987 VanDerWaalsContact O-CG 3.22Å; S983-N987 PolarHBondContact O-N 3.03Å; S983-N987 PolarHBondContact O-ND2 3.2Å; S983-N987 VanDerWaalsContact O-ND2 3.14Å
984T95.9Very high94.4Very high66 Ų6696.4 Ų96.441%0.40550%0.495SS..Hα-helixtrans-68.2-39.4173.248.50000112.6H980 A981 N987 Y988H980-T984 WeakPolarHBondContact O-CB 3.27Å; H980-T984 WeakPolarHBondContact O-CG2 3.24Å; H980-T984 PolarHBondContact O-N 3.47Å; H980-T984 PolarHBondContact O-OG1 3.38Å; A981-T984 WeakPolarHBondContact CA-OG1 3.11Å; A981-T984 PolarHBondContact O-N 3.4Å; A981-T984 PolarHBondContact O-OG1 2.91Å; T984-N987 PolarHBondContact O-N 2.92Å; T984-Y988 WeakPolarHBondContact O-CB 3.38Å; T984-Y988 PolarHBondContact O-N 2.89Å
985V96.2Very high94.5Very high76 Ų7694.3 Ų94.346%0.46149%0.486SS..Hα-helixtrans-64.7-43.4171.9169.80000111.6A981 L982 Y988 K989A981-V985 WeakPolarHBondContact O-CB 2.98Å; A981-V985 VanDerWaalsContact O-CG2 3.3Å; A981-V985 WeakPolarHBondContact O-CG2 3.47Å; A981-V985 PolarHBondContact O-N 2.77Å; L982-V985 PolarHBondContact O-N 3.27Å; V985-Y988 PolarHBondContact O-N 3.33Å; V985-K989 HydrophobicContact CG1-CD 4.32Å; V985-K989 HydrophobicContact CG1-CG 4.48Å; V985-K989 WeakPolarHBondContact O-CB 3.41Å; V985-K989 WeakPolarHBondContact O-CG 3.32Å; V985-K989 PolarHBondContact O-N 3.46Å
986H95.9Very high94.7Very high106 Ų10695.3 Ų95.349%0.49149%0.492SS..Hα-helixtrans-60.6-48175.6-179.894.8000111.1L982 S983 Y988 K989 R990L982-H986 WeakPolarHBondContact O-CB 3.49Å; L982-H986 PolarHBondContact O-N 3.17Å; S983-H986 PolarHBondContact O-N 3.41Å; H986-Y988 VanDerWaalsContact C-N 3.31Å; H986-Y988 PolarHBondContact O-N 3.26Å; H986-K989 PolarHBondContact O-N 3.03Å; H986-R990 WeakPolarHBondContact O-CB 3.47Å; H986-R990 PolarHBondContact O-N 3.26Å
987N95.9Very high94.9Very high100 Ų100100 Ų10054%0.53551%0.508SS..Hα-helixtrans-62.2-37.1177.3-75.4-31000112.3S983 T984 K991S983-N987 VanDerWaalsContact O-CB 3.29Å; S983-N987 WeakPolarHBondContact O-CB 3.49Å; S983-N987 VanDerWaalsContact O-CG 3.22Å; S983-N987 PolarHBondContact O-N 3.03Å; S983-N987 PolarHBondContact O-ND2 3.2Å; S983-N987 VanDerWaalsContact O-ND2 3.14Å; T984-N987 PolarHBondContact O-N 2.92Å; N987-K991 WeakPolarHBondContact O-CB 3.42Å; N987-K991 PolarHBondContact O-N 2.99Å
988Y94.7Very high95Very high150 Ų150102.8 Ų102.859%0.58851%0.511SS*.Hα-helixtrans-66.1-48.2173.4-180-107.2000112.3T984 V985 H986 K991 N992T984-Y988 WeakPolarHBondContact O-CB 3.38Å; T984-Y988 PolarHBondContact O-N 2.89Å; V985-Y988 PolarHBondContact O-N 3.33Å; H986-Y988 VanDerWaalsContact C-N 3.31Å; H986-Y988 PolarHBondContact O-N 3.26Å; Y988-K991 PolarHBondContact O-N 3.32Å; Y988-N992 WeakPolarHBondContact CE1-ND2 3.3Å; Y988-N992 PolarHBondContact O-N 2.81Å; Y988-N992 PolarHBondContact OH-ND2 2.92Å; Y988-N992 VanDerWaalsContact OH-ND2 3.17Å
989K94.9Very high95Very high146 Ų146100 Ų10064%0.63550%0.503SS*.Hα-helixtrans-57.4-50.1175-76.1-175.5176.6-174.10111.1V985 H986 K991 N992 A993V985-K989 HydrophobicContact CG1-CD 4.32Å; V985-K989 HydrophobicContact CG1-CG 4.48Å; V985-K989 WeakPolarHBondContact O-CB 3.41Å; V985-K989 WeakPolarHBondContact O-CG 3.32Å; V985-K989 PolarHBondContact O-N 3.46Å; H986-K989 PolarHBondContact O-N 3.03Å; K989-K991 PolarHBondContact O-N 3.28Å; K989-N992 PolarHBondContact O-N 2.62Å; K989-A993 WeakPolarHBondContact O-CB 3.43Å; K989-A993 PolarHBondContact O-N 2.85Å
990R95.1Very high95.1Very high173 Ų173101.6 Ų101.665%0.65351%0.505SS*.Hα-helixtrans-61.8-41.5178.8-169.1172.8-178.2173.20.2112.2H986 N992 A993 H994H986-R990 WeakPolarHBondContact O-CB 3.47Å; H986-R990 PolarHBondContact O-N 3.26Å; R990-N992 PolarHBondContact O-N 2.91Å; R990-A993 PolarHBondContact O-N 3.48Å; R990-H994 WeakPolarHBondContact O-CB 3.36Å; R990-H994 PolarHBondContact O-N 2.89Å
991K94.7Very high95.1Very high143 Ų143100.6 Ų100.662%0.62250%0.501SS*.Hα-helixtrans-66-35175.5-173.2167.6-172.71670112.6N987 Y988 K989 K995N987-K991 WeakPolarHBondContact O-CB 3.42Å; N987-K991 PolarHBondContact O-N 2.99Å; Y988-K991 PolarHBondContact O-N 3.32Å; K989-K991 PolarHBondContact O-N 3.28Å; K991-K995 WeakPolarHBondContact O-CG 3.25Å; K991-K995 PolarHBondContact O-N 2.9Å
992N94Very high95.2Very high44 Ų44104 Ų10424%0.23551%0.507CS..Hα-helixtrans-75.6-40.2175-77.8-4.8000112.3Y988 K989 R990 H994 K995 V996Y988-N992 WeakPolarHBondContact CE1-ND2 3.3Å; Y988-N992 PolarHBondContact O-N 2.81Å; Y988-N992 PolarHBondContact OH-ND2 2.92Å; Y988-N992 VanDerWaalsContact OH-ND2 3.17Å; K989-N992 PolarHBondContact O-N 2.62Å; R990-N992 PolarHBondContact O-N 2.91Å; N992-H994 VanDerWaalsContact C-N 3.33Å; N992-H994 PolarHBondContact O-N 3.42Å; N992-K995 WeakPolarHBondContact O-CB 3.5Å; N992-K995 PolarHBondContact O-N 3.35Å; N992-K995 VanDerWaalsContact O-N 3.14Å; N992-K995 PolarHBondContact OD1-NZ 3.05Å; N992-V996 WeakPolarHBondContact O-CG2 3.41Å; N992-V996 PolarHBondContact O-N 3.34Å
993A94.6Very high95.2Very high50 Ų50104.5 Ų104.541%0.41351%0.506SS..Hα-helixtrans-56.7-46.5172.200000111.5K989 R990 K995 V996 Q997K989-A993 WeakPolarHBondContact O-CB 3.43Å; K989-A993 PolarHBondContact O-N 2.85Å; R990-A993 PolarHBondContact O-N 3.48Å; A993-K995 PolarHBondContact O-N 3.37Å; A993-V996 PolarHBondContact O-N 3.03Å; A993-V996 VanDerWaalsContact O-N 3.16Å; A993-Q997 WeakPolarHBondContact O-CG 3.26Å; A993-Q997 PolarHBondContact O-N 3.23Å
994H95.1Very high95.2Very high119 Ų119107.2 Ų107.255%0.55151%0.512SS*.Hα-helixtrans-62.3-36.7175.6-172.1-56.4000112.9R990 N992 H998R990-H994 WeakPolarHBondContact O-CB 3.36Å; R990-H994 PolarHBondContact O-N 2.89Å; N992-H994 VanDerWaalsContact C-N 3.33Å; N992-H994 PolarHBondContact O-N 3.42Å; H994-H998 VanDerWaalsContact O-CB 3.22Å; H994-H998 WeakPolarHBondContact O-CB 3.45Å; H994-H998 PolarHBondContact O-N 2.88Å
995K93.8Very high95.2Very high114 Ų114107.4 Ų107.450%0.49651%0.51SS..Hα-helixtrans-63.1-44173-71.4168.8-167.8164.60111.5K991 N992 A993 H998 A999K991-K995 WeakPolarHBondContact O-CG 3.25Å; K991-K995 PolarHBondContact O-N 2.9Å; N992-K995 WeakPolarHBondContact O-CB 3.5Å; N992-K995 PolarHBondContact O-N 3.35Å; N992-K995 VanDerWaalsContact O-N 3.14Å; N992-K995 PolarHBondContact OD1-NZ 3.05Å; A993-K995 PolarHBondContact O-N 3.37Å; K995-H998 PolarHBondContact O-N 3.15Å; K995-A999 WeakPolarHBondContact O-CB 3.39Å; K995-A999 PolarHBondContact O-N 3.02Å
996V94.7Very high95.2Very high83 Ų83108.1 Ų108.150%0.50351%0.508SS..Hα-helixtrans-66.3-43.1179.9173.10000110.7N992 A993 A999 K1000N992-V996 WeakPolarHBondContact O-CG2 3.41Å; N992-V996 PolarHBondContact O-N 3.34Å; A993-V996 PolarHBondContact O-N 3.03Å; A993-V996 VanDerWaalsContact O-N 3.16Å; V996-A999 PolarHBondContact O-N 3.1Å; V996-K1000 WeakPolarHBondContact O-CG 3.44Å; V996-K1000 PolarHBondContact O-N 3.32Å
997Q94.3Very high95.1Very high134 Ų134108.7 Ų108.763%0.62651%0.511SS*.Hα-helixtrans-61.9-43.3173.4-73.6175-45.700111.8A993 A999 K1000 H1001A993-Q997 WeakPolarHBondContact O-CG 3.26Å; A993-Q997 PolarHBondContact O-N 3.23Å; Q997-A999 PolarHBondContact O-N 3.06Å; Q997-K1000 PolarHBondContact O-N 2.87Å; Q997-H1001 VanDerWaalsContact O-CB 3.24Å; Q997-H1001 WeakPolarHBondContact O-CB 3.42Å; Q997-H1001 PolarHBondContact O-N 3.02Å
998H94.9Very high95.1Very high116 Ų116107.9 Ų107.954%0.53750%0.503SS..Hα-helixtrans-67.4-33176.9-170.2-39.4000112.6H994 K995 K1002H994-H998 VanDerWaalsContact O-CB 3.22Å; H994-H998 WeakPolarHBondContact O-CB 3.45Å; H994-H998 PolarHBondContact O-N 2.88Å; K995-H998 PolarHBondContact O-N 3.15Å; H998-K1002 WeakPolarHBondContact O-CB 3.38Å; H998-K1002 PolarHBondContact O-N 3.11Å
999A95Very high95.2Very high46 Ų46106 Ų10638%0.3850%0.5SS..Hα-helixtrans-64.9-54.6172.500000110.7K995 V996 Q997 H1001 K1002 E1003K995-A999 WeakPolarHBondContact O-CB 3.39Å; K995-A999 PolarHBondContact O-N 3.02Å; V996-A999 PolarHBondContact O-N 3.1Å; Q997-A999 PolarHBondContact O-N 3.06Å; A999-H1001 VanDerWaalsContact C-N 3.3Å; A999-H1001 PolarHBondContact O-N 3.36Å; A999-K1002 WeakPolarHBondContact O-CB 3.46Å; A999-K1002 PolarHBondContact O-N 3.27Å; A999-E1003 WeakPolarHBondContact O-CG 3.42Å; A999-E1003 PolarHBondContact O-N 2.83Å
1000K95.3Very high95.3Very high139 Ų139105.7 Ų105.760%0.60450%0.498SS*.Hα-helixtrans-56.7-40.5176-71.7-172173.3-162.70112.9V996 Q997 E1003 F1004V996-K1000 WeakPolarHBondContact O-CG 3.44Å; V996-K1000 PolarHBondContact O-N 3.32Å; Q997-K1000 PolarHBondContact O-N 2.87Å; K1000-E1003 PolarHBondContact O-N 2.98Å; K1000-F1004 WeakPolarHBondContact O-CB 3.27Å; K1000-F1004 PolarHBondContact O-N 3.45Å
1001H95.1Very high95.3Very high106 Ų106102.6 Ų102.649%0.49150%0.495SS..Hα-helixtrans-67.9-35.9177.6-176.156.9000112Q997 A999 F1004 L1005Q997-H1001 VanDerWaalsContact O-CB 3.24Å; Q997-H1001 WeakPolarHBondContact O-CB 3.42Å; Q997-H1001 PolarHBondContact O-N 3.02Å; A999-H1001 VanDerWaalsContact C-N 3.3Å; A999-H1001 PolarHBondContact O-N 3.36Å; H1001-F1004 PolarHBondContact O-N 3.48Å; H1001-L1005 VanDerWaalsContact O-CG 3.31Å; H1001-L1005 WeakPolarHBondContact O-CG 3.38Å; H1001-L1005 PolarHBondContact O-N 3.32Å
1002K96.6Very high95.3Very high118 Ų118100.1 Ų100.151%0.51349%0.485SS..Hα-helixtrans-66.2-42.5172.7-174.8-177.1175.5-174.40111.6H998 A999 L1005 Q1006H998-K1002 WeakPolarHBondContact O-CB 3.38Å; H998-K1002 PolarHBondContact O-N 3.11Å; A999-K1002 WeakPolarHBondContact O-CB 3.46Å; A999-K1002 PolarHBondContact O-N 3.27Å; K1002-L1005 PolarHBondContact O-N 3.03Å; K1002-Q1006 WeakPolarHBondContact O-CG 3.31Å; K1002-Q1006 PolarHBondContact O-N 3.06Å
1003E95.4Very high95.4Very high111 Ų111104.6 Ų104.652%0.51951%0.505SS..Hα-helixtrans-61.7-43.7175.7-70.4158.1-174.700111.1A999 K1000 Q1006 Q1007A999-E1003 WeakPolarHBondContact O-CG 3.42Å; A999-E1003 PolarHBondContact O-N 2.83Å; K1000-E1003 PolarHBondContact O-N 2.98Å; E1003-Q1006 PolarHBondContact O-N 3.07Å; E1003-Q1007 WeakPolarHBondContact O-CG 3.42Å; E1003-Q1007 PolarHBondContact O-N 3.42Å
1004F96.4Very high95.4Very high112 Ų112104.4 Ų104.449%0.49150%0.503SS..Hα-helixtrans-60.6-44173.4171.5-98.4000112.9K1000 H1001 Q1006 Q1007 K1008K1000-F1004 WeakPolarHBondContact O-CB 3.27Å; K1000-F1004 PolarHBondContact O-N 3.45Å; H1001-F1004 PolarHBondContact O-N 3.48Å; F1004-Q1006 VanDerWaalsContact C-N 3.33Å; F1004-Q1006 PolarHBondContact O-N 2.82Å; F1004-Q1007 PolarHBondContact O-N 2.79Å; F1004-K1008 HydrophobicContact CE1-CD 4.35Å; F1004-K1008 HydrophobicContact CZ-CD 4.5Å; F1004-K1008 WeakPolarHBondContact O-CB 3.38Å; F1004-K1008 PolarHBondContact O-N 3.01Å
1005L96.4Very high95.5Very high69 Ų69105 Ų10536%0.36150%0.504SS..Hα-helixtrans-60.3-43.2174.8-73.6170.2000111.2H1001 K1002 Q1007 K1008 E1009H1001-L1005 VanDerWaalsContact O-CG 3.31Å; H1001-L1005 WeakPolarHBondContact O-CG 3.38Å; H1001-L1005 PolarHBondContact O-N 3.32Å; K1002-L1005 PolarHBondContact O-N 3.03Å; L1005-Q1007 VanDerWaalsContact C-N 3.26Å; L1005-Q1007 PolarHBondContact O-N 3.43Å; L1005-K1008 PolarHBondContact O-N 3.3Å; L1005-E1009 WeakPolarHBondContact O-CB 3.4Å; L1005-E1009 VanDerWaalsContact O-CG 3.27Å; L1005-E1009 WeakPolarHBondContact O-CG 3.36Å; L1005-E1009 PolarHBondContact O-N 2.96Å
1006Q95.4Very high95.5Very high92 Ų92103.8 Ų103.843%0.4350%0.503SS..Hα-helixtrans-69.4-18.6177.4-70.6-175.7-31.800114.5K1002 E1003 F1004 K1010K1002-Q1006 WeakPolarHBondContact O-CG 3.31Å; K1002-Q1006 PolarHBondContact O-N 3.06Å; E1003-Q1006 PolarHBondContact O-N 3.07Å; F1004-Q1006 VanDerWaalsContact C-N 3.33Å; F1004-Q1006 PolarHBondContact O-N 2.82Å; Q1006-K1010 WeakPolarHBondContact O-CD 3.22Å; Q1006-K1010 WeakPolarHBondContact O-CG 3.48Å
1007Q94.9Very high95.5Very high118 Ų118106.1 Ų106.155%0.55151%0.506SS*.Hα-helixtrans-80.2-51.6168.3-72.6170.9-24.700109.8E1003 F1004 L1005 E1009 K1010 D1011E1003-Q1007 WeakPolarHBondContact O-CG 3.42Å; E1003-Q1007 PolarHBondContact O-N 3.42Å; F1004-Q1007 PolarHBondContact O-N 2.79Å; L1005-Q1007 VanDerWaalsContact C-N 3.26Å; L1005-Q1007 PolarHBondContact O-N 3.43Å; Q1007-E1009 VanDerWaalsContact C-N 3.3Å; Q1007-E1009 PolarHBondContact O-N 3.14Å; Q1007-K1010 WeakPolarHBondContact O-CB 3.45Å; Q1007-K1010 PolarHBondContact O-N 3.37Å; Q1007-D1011 PolarHBondContact O-N 3.4Å
1008K96.7Very high95.5Very high82 Ų82108.7 Ų108.736%0.35751%0.51SS..Hα-helixtrans-56.3-40.2178.6-176.5177.9176.1-68.70113.1F1004 L1005 K1010 D1011 E1012F1004-K1008 HydrophobicContact CE1-CD 4.35Å; F1004-K1008 HydrophobicContact CZ-CD 4.5Å; F1004-K1008 WeakPolarHBondContact O-CB 3.38Å; F1004-K1008 PolarHBondContact O-N 3.01Å; L1005-K1008 PolarHBondContact O-N 3.3Å; K1008-K1010 VanDerWaalsContact C-N 3.34Å; K1008-K1010 PolarHBondContact O-N 2.91Å; K1008-D1011 PolarHBondContact O-N 3Å; K1008-E1012 WeakPolarHBondContact CE-OE1 3.34Å; K1008-E1012 IonicContact NZ-OE1 2.62Å; K1008-E1012 PolarHBondContact NZ-OE1 2.93Å; K1008-E1012 IonicContact NZ-OE2 2.81Å; K1008-E1012 PolarHBondContact NZ-OE2 3.46Å; K1008-E1012 WeakPolarHBondContact O-CB 3.46Å; K1008-E1012 WeakPolarHBondContact O-CG 3.12Å; K1008-E1012 PolarHBondContact O-N 3.17Å
1009E96.3Very high95.5Very high112 Ų112108.3 Ų108.352%0.52351%0.508SS..Hα-helixtrans-57.6-44.9174.3-76.6166.6169.900111.5L1005 Q1007 E1012 E1013L1005-E1009 WeakPolarHBondContact O-CB 3.4Å; L1005-E1009 VanDerWaalsContact O-CG 3.27Å; L1005-E1009 WeakPolarHBondContact O-CG 3.36Å; L1005-E1009 PolarHBondContact O-N 2.96Å; Q1007-E1009 VanDerWaalsContact C-N 3.3Å; Q1007-E1009 PolarHBondContact O-N 3.14Å; E1009-E1012 PolarHBondContact O-N 3.03Å; E1009-E1013 WeakPolarHBondContact O-CG 3.46Å; E1009-E1013 PolarHBondContact O-N 3.29Å
1010K96Very high95.5Very high138 Ų138115.2 Ų115.260%0.653%0.525SS*.Hα-helixtrans-68.5-38.3177.4-65.4171.3-177.5178.50112.6Q1006 Q1007 K1008 E1012 E1013 A1014Q1006-K1010 WeakPolarHBondContact O-CD 3.22Å; Q1006-K1010 WeakPolarHBondContact O-CG 3.48Å; Q1007-K1010 WeakPolarHBondContact O-CB 3.45Å; Q1007-K1010 PolarHBondContact O-N 3.37Å; K1008-K1010 VanDerWaalsContact C-N 3.34Å; K1008-K1010 PolarHBondContact O-N 2.91Å; K1010-E1012 VanDerWaalsContact C-N 3.32Å; K1010-E1013 PolarHBondContact O-N 2.86Å; K1010-A1014 VanDerWaalsContact O-CB 3.32Å; K1010-A1014 WeakPolarHBondContact O-CB 3.42Å; K1010-A1014 PolarHBondContact O-N 3.16Å
1011D95.2Very high95.4Very high109 Ų109113.1 Ų113.158%0.58352%0.517SS*.Hα-helixtrans-67.1-36.5177.4-64.3-33.4000111Q1007 K1008 K1015Q1007-D1011 PolarHBondContact O-N 3.4Å; K1008-D1011 PolarHBondContact O-N 3Å; D1011-K1015 VanDerWaalsContact O-CB 3.26Å; D1011-K1015 WeakPolarHBondContact O-CB 3.46Å; D1011-K1015 PolarHBondContact O-N 2.91Å
1012E95.4Very high95.4Very high90 Ų90110.9 Ų110.942%0.42152%0.517SS..Hα-helixtrans-70.2-40.8173.5-73.9178155.600112.1K1008 E1009 K1010 K1015 L1016K1008-E1012 WeakPolarHBondContact CE-OE1 3.34Å; K1008-E1012 IonicContact NZ-OE1 2.62Å; K1008-E1012 PolarHBondContact NZ-OE1 2.93Å; K1008-E1012 IonicContact NZ-OE2 2.81Å; K1008-E1012 PolarHBondContact NZ-OE2 3.46Å; K1008-E1012 WeakPolarHBondContact O-CB 3.46Å; K1008-E1012 WeakPolarHBondContact O-CG 3.12Å; K1008-E1012 PolarHBondContact O-N 3.17Å; E1009-E1012 PolarHBondContact O-N 3.03Å; K1010-E1012 VanDerWaalsContact C-N 3.32Å; E1012-K1015 PolarHBondContact O-N 2.84Å; E1012-L1016 WeakPolarHBondContact O-CB 3.24Å; E1012-L1016 VanDerWaalsContact O-CG 3.3Å; E1012-L1016 WeakPolarHBondContact O-CG 3.35Å; E1012-L1016 PolarHBondContact O-N 3.18Å
1013E95.5Very high95.3Very high139 Ų139111 Ų11165%0.6552%0.517SS*.Hα-helixtrans-59.8-45.8170-76.4-177.1163.600112.2E1009 K1010 K1015 L1016 K1017E1009-E1013 WeakPolarHBondContact O-CG 3.46Å; E1009-E1013 PolarHBondContact O-N 3.29Å; K1010-E1013 PolarHBondContact O-N 2.86Å; E1013-K1015 PolarHBondContact O-N 3.35Å; E1013-L1016 PolarHBondContact O-N 3.2Å; E1013-K1017 PolarHBondContact O-N 2.95Å
1014A95.5Very high95.2Very high46 Ų46113.6 Ų113.638%0.3853%0.527SS..Hα-helixtrans-64.2-39.6177.900000111.9K1010 K1017 R1018K1010-A1014 VanDerWaalsContact O-CB 3.32Å; K1010-A1014 WeakPolarHBondContact O-CB 3.42Å; K1010-A1014 PolarHBondContact O-N 3.16Å; A1014-K1017 PolarHBondContact O-N 3.49Å; A1014-R1018 WeakPolarHBondContact O-CG 3.46Å; A1014-R1018 PolarHBondContact O-N 3.2Å
1015K95.8Very high95.1Very high130 Ų130115.8 Ų115.857%0.56554%0.536SS*.Hα-helixtrans-64.1-44173.8-173.5177.1-177.9179.40111.6D1011 E1012 E1013 K1017 R1018 Q1019D1011-K1015 VanDerWaalsContact O-CB 3.26Å; D1011-K1015 WeakPolarHBondContact O-CB 3.46Å; D1011-K1015 PolarHBondContact O-N 2.91Å; E1012-K1015 PolarHBondContact O-N 2.84Å; E1013-K1015 PolarHBondContact O-N 3.35Å; K1015-K1017 PolarHBondContact O-N 2.97Å; K1015-R1018 PolarHBondContact O-N 3.44Å; K1015-Q1019 WeakPolarHBondContact O-CB 3.46Å; K1015-Q1019 WeakPolarHBondContact O-CG 3.43Å; K1015-Q1019 PolarHBondContact O-N 3.05Å
1016L95.6Very high94.9Very high90 Ų90117.3 Ų117.347%0.47154%0.544SS..Hα-helixtrans-63.2-38.9175.2-76168.2000112E1012 E1013 Q1019 R1020E1012-L1016 WeakPolarHBondContact O-CB 3.24Å; E1012-L1016 VanDerWaalsContact O-CG 3.3Å; E1012-L1016 WeakPolarHBondContact O-CG 3.35Å; E1012-L1016 PolarHBondContact O-N 3.18Å; E1013-L1016 PolarHBondContact O-N 3.2Å; L1016-Q1019 PolarHBondContact O-N 2.85Å; L1016-R1020 WeakPolarHBondContact O-CG 3.48Å; L1016-R1020 PolarHBondContact O-N 2.93Å
1017K94.3Very high94.8Very high131 Ų131119.1 Ų119.157%0.5755%0.548SS*.Hα-helixtrans-61.6-50.6174-175.9175.6172.4-179.80111.3E1013 A1014 K1015 Q1019 R1020 E1021E1013-K1017 PolarHBondContact O-N 2.95Å; A1014-K1017 PolarHBondContact O-N 3.49Å; K1015-K1017 PolarHBondContact O-N 2.97Å; K1017-Q1019 VanDerWaalsContact C-N 3.31Å; K1017-Q1019 PolarHBondContact O-N 3.47Å; K1017-R1020 PolarHBondContact O-N 3.49Å; K1017-R1020 VanDerWaalsContact O-N 3.15Å; K1017-E1021 WeakPolarHBondContact CE-OE1 3.45Å; K1017-E1021 WeakPolarHBondContact CG-OE1 3.29Å; K1017-E1021 IonicContact NZ-OE1 3.97Å; K1017-E1021 WeakPolarHBondContact O-CG 3.38Å; K1017-E1021 PolarHBondContact O-N 3.3Å
1018R94.5Very high94.6Very high188 Ų188122.2 Ų122.271%0.70956%0.555SS**Hα-helixtrans-57.2-41.8175.5-71.3176.1-178.3178.41.8112.3A1014 K1015 E1021 A1022A1014-R1018 WeakPolarHBondContact O-CG 3.46Å; A1014-R1018 PolarHBondContact O-N 3.2Å; K1015-R1018 PolarHBondContact O-N 3.44Å; R1018-E1021 PolarHBondContact O-N 2.89Å; R1018-A1022 WeakPolarHBondContact O-CB 3.18Å; R1018-A1022 PolarHBondContact O-N 3.19Å
1019Q94.2Very high94.4Very high108 Ų108121.7 Ų121.751%0.50556%0.558SS.*Hα-helixtrans-65.2-40.3176.6-75.7177.9-20.900112.7K1015 L1016 K1017 K1023K1015-Q1019 WeakPolarHBondContact O-CB 3.46Å; K1015-Q1019 WeakPolarHBondContact O-CG 3.43Å; K1015-Q1019 PolarHBondContact O-N 3.05Å; L1016-Q1019 PolarHBondContact O-N 2.85Å; K1017-Q1019 VanDerWaalsContact C-N 3.31Å; K1017-Q1019 PolarHBondContact O-N 3.47Å; Q1019-K1023 VanDerWaalsContact O-CB 3.24Å; Q1019-K1023 WeakPolarHBondContact O-CB 3.33Å; Q1019-K1023 PolarHBondContact O-N 3.27Å
1020R94.6Very high94.1Very high192 Ų192120 Ų12073%0.72555%0.551SS**Hα-helixtrans-64-42.9174.3-73.4174.4-179.7-1721111.9L1016 K1017 K1023 K1024L1016-R1020 WeakPolarHBondContact O-CG 3.48Å; L1016-R1020 PolarHBondContact O-N 2.93Å; K1017-R1020 PolarHBondContact O-N 3.49Å; K1017-R1020 VanDerWaalsContact O-N 3.15Å; R1020-K1023 PolarHBondContact O-N 3.39Å; R1020-K1024 WeakPolarHBondContact O-CB 3.38Å; R1020-K1024 PolarHBondContact O-N 3.45Å
1021E93.6Very high93.9Very high95 Ų95115 Ų11544%0.44454%0.539SS..Hα-helixtrans-65.4-46.2177.5-73.1168.5-175.600112K1017 R1018 K1023 K1024 K1025K1017-E1021 WeakPolarHBondContact CE-OE1 3.45Å; K1017-E1021 WeakPolarHBondContact CG-OE1 3.29Å; K1017-E1021 IonicContact NZ-OE1 3.97Å; K1017-E1021 WeakPolarHBondContact O-CG 3.38Å; K1017-E1021 PolarHBondContact O-N 3.3Å; R1018-E1021 PolarHBondContact O-N 2.89Å; E1021-K1023 PolarHBondContact O-N 2.87Å; E1021-K1024 PolarHBondContact O-N 3.01Å; E1021-K1025 WeakPolarHBondContact O-CG 3.45Å; E1021-K1025 PolarHBondContact O-N 3Å
1022A94.2Very high93.6Very high59 Ų59114.2 Ų114.249%0.48853%0.532SS..Hα-helixtrans-60.2-44.4174.600000111.8R1018 K1024 K1025 L1026R1018-A1022 WeakPolarHBondContact O-CB 3.18Å; R1018-A1022 PolarHBondContact O-N 3.19Å; A1022-K1024 PolarHBondContact O-N 2.75Å; A1022-K1025 PolarHBondContact O-N 3.15Å; A1022-L1026 WeakPolarHBondContact O-CB 3.49Å; A1022-L1026 PolarHBondContact O-N 2.83Å
1023K95.3Very high93.2Very high119 Ų119116.3 Ų116.352%0.51754%0.539SS..Hα-helixtrans-63.9-38.3176.1-174.1162.5179.5167.40112.2Q1019 R1020 E1021 L1026 Y1027Q1019-K1023 VanDerWaalsContact O-CB 3.24Å; Q1019-K1023 WeakPolarHBondContact O-CB 3.33Å; Q1019-K1023 PolarHBondContact O-N 3.27Å; R1020-K1023 PolarHBondContact O-N 3.39Å; E1021-K1023 PolarHBondContact O-N 2.87Å; K1023-L1026 PolarHBondContact O-N 2.94Å; K1023-Y1027 HydrophobicContact CD-CE2 4.07Å; K1023-Y1027 VanDerWaalsContact CE-OH 3.22Å; K1023-Y1027 WeakPolarHBondContact CE-OH 3.43Å; K1023-Y1027 HydrophobicContact CG-CD2 3.92Å; K1023-Y1027 HydrophobicContact CG-CE2 3.49Å; K1023-Y1027 VanDerWaalsContact CG-CE2 3.49Å; K1023-Y1027 WeakPolarHBondContact O-CD2 3.3Å; K1023-Y1027 PolarHBondContact O-N 3.46Å
1024K93.9Very high92.8Very high167 Ų167113.4 Ų113.473%0.72653%0.528SS*.Hα-helixtrans-67.4-40.7173.9-170.3175.7-178.7-179.60112.2R1020 E1021 A1022 R1028R1020-K1024 WeakPolarHBondContact O-CB 3.38Å; R1020-K1024 PolarHBondContact O-N 3.45Å; E1021-K1024 PolarHBondContact O-N 3.01Å; A1022-K1024 PolarHBondContact O-N 2.75Å; K1024-R1028 PolarHBondContact O-N 3.43Å
1025K93Very high92.1Very high157 Ų157117.1 Ų117.168%0.68354%0.538SS*.Hα-helixtrans-60.9-46.1172.8-74.2-174.8178.9-171.20111.2E1021 A1022 Y1027 R1028 V1029E1021-K1025 WeakPolarHBondContact O-CG 3.45Å; E1021-K1025 PolarHBondContact O-N 3Å; A1022-K1025 PolarHBondContact O-N 3.15Å; K1025-Y1027 PolarHBondContact O-N 2.83Å; K1025-R1028 PolarHBondContact O-N 2.83Å; K1025-V1029 WeakPolarHBondContact O-CG2 3.49Å; K1025-V1029 PolarHBondContact O-N 3.41Å
1026L93.8Very high91.5Very high102 Ų102118.7 Ų118.753%0.53455%0.545SS..Hα-helixtrans-58.9-48.8178.4-171.970.4000111.8A1022 K1023 R1028 V1029 M1030A1022-L1026 WeakPolarHBondContact O-CB 3.49Å; A1022-L1026 PolarHBondContact O-N 2.83Å; K1023-L1026 PolarHBondContact O-N 2.94Å; L1026-R1028 VanDerWaalsContact C-N 3.35Å; L1026-R1028 PolarHBondContact O-N 3.14Å; L1026-V1029 PolarHBondContact O-N 3.34Å; L1026-M1030 HydrophobicContact CG-CE 4.23Å; L1026-M1030 HydrophobicContact CG-SD 4.5Å; L1026-M1030 WeakPolarHBondContact O-CG 3.43Å; L1026-M1030 PolarHBondContact O-N 3.14Å
1027Y92.5Very high90.7Very high129 Ų129120.8 Ų120.851%0.50655%0.55SS..Hα-helixtrans-65.5-33.4176.4-71.3-55.5000113.5K1023 K1025 M1030 G1031K1023-Y1027 HydrophobicContact CD-CE2 4.07Å; K1023-Y1027 VanDerWaalsContact CE-OH 3.22Å; K1023-Y1027 WeakPolarHBondContact CE-OH 3.43Å; K1023-Y1027 HydrophobicContact CG-CD2 3.92Å; K1023-Y1027 HydrophobicContact CG-CE2 3.49Å; K1023-Y1027 VanDerWaalsContact CG-CE2 3.49Å; K1023-Y1027 WeakPolarHBondContact O-CD2 3.3Å; K1023-Y1027 PolarHBondContact O-N 3.46Å; K1025-Y1027 PolarHBondContact O-N 2.83Å; Y1027-M1030 HydrophobicContact CD1-CE 3.41Å; Y1027-M1030 VanDerWaalsContact CD1-CE 3.41Å; Y1027-M1030 HydrophobicContact CE1-CE 3.69Å; Y1027-M1030 HydrophobicContact CG-CE 4.41Å; Y1027-M1030 PolarHBondContact O-N 2.94Å; Y1027-G1031 PolarHBondContact O-N 3.37Å
1028R91.4Very high89.7Confident184 Ų184120.6 Ų120.669%0.69455%0.551SS**Hα-helixtrans-62.6-44.9172.8-172.9-179.8-176.8179.72.8111.1K1024 K1025 L1026 Q1032K1024-R1028 PolarHBondContact O-N 3.43Å; K1025-R1028 PolarHBondContact O-N 2.83Å; L1026-R1028 VanDerWaalsContact C-N 3.35Å; L1026-R1028 PolarHBondContact O-N 3.14Å; R1028-Q1032 WeakPolarHBondContact O-CB 3.31Å; R1028-Q1032 VanDerWaalsContact O-CG 3.32Å; R1028-Q1032 WeakPolarHBondContact O-CG 3.46Å; R1028-Q1032 PolarHBondContact O-N 2.91Å
1029V92.3Very high88.6Confident71 Ų71121.2 Ų121.243%0.4355%0.553SS.*Hα-helixtrans-67.3-39.1178.2173.30000111.7K1025 L1026 K1033K1025-V1029 WeakPolarHBondContact O-CG2 3.49Å; K1025-V1029 PolarHBondContact O-N 3.41Å; L1026-V1029 PolarHBondContact O-N 3.34Å; V1029-K1033 HydrophobicContact CG1-CD 4.46Å; V1029-K1033 WeakPolarHBondContact O-CB 3.32Å; V1029-K1033 WeakPolarHBondContact O-CG 3.36Å; V1029-K1033 PolarHBondContact O-N 3.01Å
1030M89.7Confident87.3Confident76 Ų76120.1 Ų120.137%0.37456%0.557SS.*Hα-helixtrans-65.9-49.9174.6-67.1-169.3-54.200111.1L1026 Y1027 Q1032 K1033 D1034L1026-M1030 HydrophobicContact CG-CE 4.23Å; L1026-M1030 HydrophobicContact CG-SD 4.5Å; L1026-M1030 WeakPolarHBondContact O-CG 3.43Å; L1026-M1030 PolarHBondContact O-N 3.14Å; Y1027-M1030 HydrophobicContact CD1-CE 3.41Å; Y1027-M1030 VanDerWaalsContact CD1-CE 3.41Å; Y1027-M1030 HydrophobicContact CE1-CE 3.69Å; Y1027-M1030 HydrophobicContact CG-CE 4.41Å; Y1027-M1030 PolarHBondContact O-N 2.94Å; M1030-Q1032 VanDerWaalsContact C-N 3.29Å; M1030-Q1032 PolarHBondContact O-N 2.96Å; M1030-K1033 CarbonylContact O-C 3.14Å; M1030-K1033 WeakPolarHBondContact O-CA 3.33Å; M1030-K1033 WeakPolarHBondContact O-CB 3.42Å; M1030-K1033 PolarHBondContact O-N 3.41Å; M1030-D1034 VanDerWaalsContact O-CG 3.27Å; M1030-D1034 PolarHBondContact O-N 2.98Å; M1030-D1034 VanDerWaalsContact O-OD2 3.13Å
1031G92.4Very high85.8Confident33 Ų33115.4 Ų115.434%0.3455%0.554SS.*Hα-helixtrans-57.2-38.1175.700000113.7Y1027 D1034 Q1035Y1027-G1031 PolarHBondContact O-N 3.37Å; G1031-D1034 PolarHBondContact O-N 2.74Å; G1031-Q1035 WeakPolarHBondContact O-CB 3.45Å; G1031-Q1035 WeakPolarHBondContact O-CG 3.29Å; G1031-Q1035 PolarHBondContact O-N 2.82Å
1032Q87.8Confident84.2Confident93 Ų93118 Ų11844%0.43557%0.57SS.*Hα-helixtrans-68.8-35.7172.8-75.7177.8-4600113R1028 M1030 K1036R1028-Q1032 WeakPolarHBondContact O-CB 3.31Å; R1028-Q1032 VanDerWaalsContact O-CG 3.32Å; R1028-Q1032 WeakPolarHBondContact O-CG 3.46Å; R1028-Q1032 PolarHBondContact O-N 2.91Å; M1030-Q1032 VanDerWaalsContact C-N 3.29Å; M1030-Q1032 PolarHBondContact O-N 2.96Å; Q1032-K1036 WeakPolarHBondContact O-CB 3.44Å; Q1032-K1036 WeakPolarHBondContact O-CG 3.5Å; Q1032-K1036 PolarHBondContact O-N 3.09Å
1033K88.1Confident82.3Confident134 Ų134123.6 Ų123.658%0.58358%0.583SS**Hα-helixtrans-68.3-38.7173-78-176.7175.5-1680111.8V1029 M1030 K1036 K1037V1029-K1033 HydrophobicContact CG1-CD 4.46Å; V1029-K1033 WeakPolarHBondContact O-CB 3.32Å; V1029-K1033 WeakPolarHBondContact O-CG 3.36Å; V1029-K1033 PolarHBondContact O-N 3.01Å; M1030-K1033 CarbonylContact O-C 3.14Å; M1030-K1033 WeakPolarHBondContact O-CA 3.33Å; M1030-K1033 WeakPolarHBondContact O-CB 3.42Å; M1030-K1033 PolarHBondContact O-N 3.41Å; K1033-K1036 PolarHBondContact O-N 3.05Å; K1033-K1037 WeakPolarHBondContact O-CG 3.38Å; K1033-K1037 PolarHBondContact O-N 3.47Å
1034D85.7Confident80.1Confident77 Ų77121.1 Ų121.141%0.41259%0.592SS.*Hα-helixtrans-75.1-36.9-179.2-61-34.9000111.3M1030 G1031 K1037 Q1038M1030-D1034 VanDerWaalsContact O-CG 3.27Å; M1030-D1034 PolarHBondContact O-N 2.98Å; M1030-D1034 VanDerWaalsContact O-OD2 3.13Å; G1031-D1034 PolarHBondContact O-N 2.74Å; D1034-K1037 WeakPolarHBondContact O-CB 3.31Å; D1034-K1037 PolarHBondContact O-N 3.44Å; D1034-Q1038 WeakPolarHBondContact O-CG 3.39Å; D1034-Q1038 PolarHBondContact O-N 2.79Å
1035Q82.3Confident77.9Confident125 Ų125117.7 Ų117.758%0.58460%0.595SS**Hα-helixtrans-62.2-40.9166.4-78.8-178.5-28.200112.5G1031 Q1038 R1039G1031-Q1035 WeakPolarHBondContact O-CB 3.45Å; G1031-Q1035 WeakPolarHBondContact O-CG 3.29Å; G1031-Q1035 PolarHBondContact O-N 2.82Å; Q1035-Q1038 PolarHBondContact O-N 2.88Å; Q1035-R1039 WeakPolarHBondContact O-CB 3.48Å; Q1035-R1039 PolarHBondContact O-N 3.11Å
1036K81.5Confident75.7Confident163 Ų163116 Ų11671%0.70960%0.6SS**Hα-helixtrans-62.1-42.7173.2-82-170.1174.7-162.30111.4Q1032 K1033 R1039 S1040Q1032-K1036 WeakPolarHBondContact O-CB 3.44Å; Q1032-K1036 WeakPolarHBondContact O-CG 3.5Å; Q1032-K1036 PolarHBondContact O-N 3.09Å; K1033-K1036 PolarHBondContact O-N 3.05Å; K1036-R1039 PolarHBondContact O-N 3.36Å; K1036-S1040 PolarHBondContact O-N 2.91Å; K1036-S1040 PolarHBondContact O-OG 3.31Å; K1036-S1040 VanDerWaalsContact O-OG 3.11Å
1037K79.8Confident73.2Confident134 Ų134116.2 Ų116.258%0.58361%0.61SS**Hα-helixtrans-59.6-48.4174.1-77.6175.6175.1178.80112.3K1033 D1034 R1039 S1040 S1041K1033-K1037 WeakPolarHBondContact O-CG 3.38Å; K1033-K1037 PolarHBondContact O-N 3.47Å; D1034-K1037 WeakPolarHBondContact O-CB 3.31Å; D1034-K1037 PolarHBondContact O-N 3.44Å; K1037-R1039 VanDerWaalsContact C-N 3.35Å; K1037-R1039 PolarHBondContact O-N 3.4Å; K1037-S1040 VanDerWaalsContact CA-OG 3.3Å; K1037-S1040 WeakPolarHBondContact CA-OG 3.36Å; K1037-S1040 CarbonylContact O-C 3.57Å; K1037-S1040 PolarHBondContact O-N 2.84Å; K1037-S1040 VanDerWaalsContact O-N 3.16Å; K1037-S1040 PolarHBondContact O-OG 3.18Å; K1037-S1041 PolarHBondContact O-N 3.15Å; K1037-S1041 PolarHBondContact O-OG 3.25Å
1038Q73.9Confident70.9Confident126 Ų126118 Ų11859%0.58963%0.628SS**Hα-helixtrans-61.3-41.3177.9-75.6177.9-31.300112D1034 Q1035 S1041 L1042D1034-Q1038 WeakPolarHBondContact O-CG 3.39Å; D1034-Q1038 PolarHBondContact O-N 2.79Å; Q1035-Q1038 PolarHBondContact O-N 2.88Å; Q1038-S1041 WeakPolarHBondContact CA-OG 3.2Å; Q1038-S1041 PolarHBondContact O-N 3.22Å; Q1038-S1041 PolarHBondContact O-OG 3.22Å; Q1038-L1042 WeakPolarHBondContact O-CB 3.28Å; Q1038-L1042 WeakPolarHBondContact O-CD1 3.39Å; Q1038-L1042 WeakPolarHBondContact O-CG 3.37Å; Q1038-L1042 PolarHBondContact O-N 2.92Å; Q1038-L1042 VanDerWaalsContact O-N 3.15Å
1039R70Confident68.1Low202 Ų202120.2 Ų120.276%0.76265%0.652SS**Hα-helixtrans-63.5-41.2172.1-81.1-176.6159.5-165.7-7.7112.5Q1035 K1036 K1037 S1041 L1042 K1043Q1035-R1039 WeakPolarHBondContact O-CB 3.48Å; Q1035-R1039 PolarHBondContact O-N 3.11Å; K1036-R1039 PolarHBondContact O-N 3.36Å; K1037-R1039 VanDerWaalsContact C-N 3.35Å; K1037-R1039 PolarHBondContact O-N 3.4Å; R1039-S1041 VanDerWaalsContact C-N 3.33Å; R1039-S1041 PolarHBondContact O-N 2.97Å; R1039-L1042 PolarHBondContact O-N 3Å; R1039-K1043 PolarHBondContact O-N 3.4Å
1040S66.7Low66.9Low84 Ų84122.7 Ų122.759%0.58766%0.663SS**Hα-helixtrans-71.5-22.3176.655.50000114.3K1036 K1037K1036-S1040 PolarHBondContact O-N 2.91Å; K1036-S1040 PolarHBondContact O-OG 3.31Å; K1036-S1040 VanDerWaalsContact O-OG 3.11Å; K1037-S1040 VanDerWaalsContact CA-OG 3.3Å; K1037-S1040 WeakPolarHBondContact CA-OG 3.36Å; K1037-S1040 CarbonylContact O-C 3.57Å; K1037-S1040 PolarHBondContact O-N 2.84Å; K1037-S1040 VanDerWaalsContact O-N 3.16Å; K1037-S1040 PolarHBondContact O-OG 3.18Å
1041S65.1Low65.7Low93 Ų93125.1 Ų125.165%0.6568%0.679SS**THydrogen-bonded Turntrans-87.9-6171.558.70000113.7K1037 Q1038 R1039K1037-S1041 PolarHBondContact O-N 3.15Å; K1037-S1041 PolarHBondContact O-OG 3.25Å; Q1038-S1041 WeakPolarHBondContact CA-OG 3.2Å; Q1038-S1041 PolarHBondContact O-N 3.22Å; Q1038-S1041 PolarHBondContact O-OG 3.22Å; R1039-S1041 VanDerWaalsContact C-N 3.33Å; R1039-S1041 PolarHBondContact O-N 2.97Å
1042L59.7Low64.3Low149 Ų149130.2 Ų130.278%0.7870%0.697SS**THydrogen-bonded Turntrans-99.5-17.3174.3-78.9166.1000112.8Q1038 R1039 G1044Q1038-L1042 WeakPolarHBondContact O-CB 3.28Å; Q1038-L1042 WeakPolarHBondContact O-CD1 3.39Å; Q1038-L1042 WeakPolarHBondContact O-CG 3.37Å; Q1038-L1042 PolarHBondContact O-N 2.92Å; Q1038-L1042 VanDerWaalsContact O-N 3.15Å; R1039-L1042 PolarHBondContact O-N 3Å; L1042-G1044 PolarHBondContact O-N 3.08Å
1043K54Low62.9Low177 Ų177132.4 Ų132.477%0.7771%0.713SS**SBendtrans-77115.8155.7-80.5-156.7167-157.80107.9R1039R1039-K1043 PolarHBondContact O-N 3.4Å
1044G48.8Very low61.3Low68 Ų68132.3 Ų132.370%0.70172%0.721SS**PPolyproline II helixtrans-59.5161.4169.300000111.5L1042L1042-G1044 PolarHBondContact O-N 3.08Å
1045A48.6Very low59.7Low95 Ų95136 Ų13679%0.78574%0.742SS**PPolyproline II helixtrans-65.5140.6168.300000109.2S1047A1045-S1047 PolarHBondContact O-N 3.31Å
1046P45.4Very low58.1Low122 Ų122136.8 Ų136.879%0.79275%0.753SS**PPolyproline II helixtrans-62134.3166.828.8-33.4000108.7
1047S42.6Very low56.3Low106 Ų106134.8 Ų134.874%0.74176%0.756SS**PPolyproline II helixtrans-81.6119.6171.644.30000109.6A1045 L1049A1045-S1047 PolarHBondContact O-N 3.31Å; S1047-L1049 VanDerWaalsContact C-N 3.31Å; S1047-L1049 PolarHBondContact O-N 2.99Å; S1047-L1049 VanDerWaalsContact O-N 3.08Å
1048D43.4Very low54.3Low166 Ų166134.8 Ų134.889%0.88877%0.771SS**  trans-75.486.2162.9-71.9-40.3000108.8
1049L33.5Very low52.5Low230 Ų230135.6 Ų135.6100%1.20479%0.787SS**  trans-165.10158.5-111.8168.5000110.4S1047S1047-L1049 VanDerWaalsContact C-N 3.31Å; S1047-L1049 PolarHBondContact O-N 2.99Å; S1047-L1049 VanDerWaalsContact O-N 3.08Å

Retrieved 1,049 of 1,049 residues in 518.1 ms (Link to these results)

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