A0A5K4F8C0_SCHMA Loading...

Centaurin-gamma-1A

AlphaFold DB , UniProt , Accession A0A5K4F8C0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,115 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
1M41.9Very low56.6Low199 Ų19985.9 Ų85.998%0.9849%0.487SS*.  0-58.10-76.1-177.7166.700111.9S3 Q4M1-S3 PolarHBondContact O-N 3.47Å; M1-Q4 PolarHBondContact O-N 3.41Å
2S37.5Very low58.3Low111 Ų11184.7 Ų84.778%0.77648%0.478SS*.Hα-helixtrans-57.7-12179.642.90000116.9S5S2-S5 PolarHBondContact O-OG 3.43Å; S2-S5 VanDerWaalsContact O-OG 3.1Å
3S42.5Very low59.5Low77 Ų7780.5 Ų80.554%0.53846%0.461SS..Hα-helixtrans-87.9-14.9173.549.80000114.8M1 S6M1-S3 PolarHBondContact O-N 3.47Å; S3-S6 PolarHBondContact O-OG 3.37Å
4Q44.2Very low60.6Low129 Ų12974.7 Ų74.760%0.60343%0.428SS*.Hα-helixtrans-88.8-29178.7-75.9173-38.400112.2M1 N8M1-Q4 PolarHBondContact O-N 3.41Å; Q4-N8 PolarHBondContact O-N 3.15Å
5S46.9Very low61.8Low62 Ų6273.1 Ų73.143%0.43441%0.412SS..Hα-helixtrans-60.4-51.6171.943.90000111S2 L7 N8 D9S2-S5 PolarHBondContact O-OG 3.43Å; S2-S5 VanDerWaalsContact O-OG 3.1Å; S5-L7 VanDerWaalsContact C-N 3.31Å; S5-L7 PolarHBondContact O-N 3.1Å; S5-N8 CarbonylContact O-C 3.59Å; S5-N8 WeakPolarHBondContact O-CA 3.44Å; S5-N8 WeakPolarHBondContact O-CB 3.4Å; S5-N8 PolarHBondContact O-N 3.02Å; S5-D9 PolarHBondContact O-N 3.35Å; S5-D9 VanDerWaalsContact O-OD2 3.1Å
6S59.9Low62.5Low54 Ų5477.1 Ų77.138%0.37843%0.426SS..Hα-helixtrans-63.3-31.5-177.554.80000114.2S3 D9 I10S3-S6 PolarHBondContact O-OG 3.37Å; S6-D9 PolarHBondContact O-N 2.88Å; S6-I10 WeakPolarHBondContact O-CB 3.42Å; S6-I10 VanDerWaalsContact O-CG1 3.25Å; S6-I10 WeakPolarHBondContact O-CG1 3.46Å; S6-I10 PolarHBondContact O-N 2.68Å
7L60.6Low63.1Low70 Ų7072.8 Ų72.837%0.36640%0.402SS..Hα-helixtrans-68.9-39.7172.8-71.3172.4000112S5 S11 Q117S5-L7 VanDerWaalsContact C-N 3.31Å; S5-L7 PolarHBondContact O-N 3.1Å; L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3.15Å; L7-Q117 HydrophobicContact CD2-CG 4.47Å
8N66.3Low63.7Low86 Ų8668.9 Ų68.946%0.4638%0.381SS..Hα-helixtrans-67.3-38172.3-75.1-22.9000111.6Q4 S5 S11 N12Q4-N8 PolarHBondContact O-N 3.15Å; S5-N8 CarbonylContact O-C 3.59Å; S5-N8 WeakPolarHBondContact O-CA 3.44Å; S5-N8 WeakPolarHBondContact O-CB 3.4Å; S5-N8 PolarHBondContact O-N 3.02Å; N8-S11 PolarHBondContact O-N 2.94Å; N8-N12 VanDerWaalsContact O-CB 3.22Å; N8-N12 WeakPolarHBondContact O-CB 3.33Å; N8-N12 PolarHBondContact O-N 3.34Å; N8-N12 PolarHBondContact O-ND2 3.02Å
9D72.9Confident64.2Low97 Ų9769.1 Ų69.152%0.51938%0.38SS..Hα-helixtrans-65.3-43.3176-61.9-37000111.4S5 S6 N12 A13S5-D9 PolarHBondContact O-N 3.35Å; S5-D9 VanDerWaalsContact O-OD2 3.1Å; S6-D9 PolarHBondContact O-N 2.88Å; D9-N12 PolarHBondContact O-N 3.25Å; D9-A13 WeakPolarHBondContact O-CB 3.45Å; D9-A13 PolarHBondContact O-N 3.37Å
10I73.6Confident64.7Low60 Ų6070 Ų7031%0.30838%0.378SS..Hα-helixtrans-62.8-46.1174-71.4164.6000110.5S6 N12 A13 I14S6-I10 WeakPolarHBondContact O-CB 3.42Å; S6-I10 VanDerWaalsContact O-CG1 3.25Å; S6-I10 WeakPolarHBondContact O-CG1 3.46Å; S6-I10 PolarHBondContact O-N 2.68Å; I10-N12 PolarHBondContact O-N 2.79Å; I10-A13 PolarHBondContact O-N 3.18Å; I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 WeakPolarHBondContact O-CB 3.43Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 2.67Å
11S76.8Confident65Low0 Ų067.3 Ų67.30%036%0.363CS..Hα-helixtrans-63.6-38.9175.5177.40000112L7 N8 I14 R15 E111L7-S11 WeakPolarHBondContact O-CB 3.49Å; L7-S11 PolarHBondContact O-N 3.15Å; N8-S11 PolarHBondContact O-N 2.94Å; S11-I14 WeakPolarHBondContact O-CB 3.46Å; S11-R15 WeakPolarHBondContact O-CB 3.01Å; S11-R15 WeakPolarHBondContact O-CG 3.33Å; S11-R15 PolarHBondContact O-N 2.91Å; S11-R15 PolarHBondContact O-NE 3.32Å; S11-R15 PolarHBondContact OG-NE 3.11Å; S11-R15 PolarHBondContact OG-NH1 2.91Å; S11-E111 WeakPolarHBondContact CB-OE1 3.33Å; S11-E111 PolarHBondContact OG-OE1 3.31Å
12N76.7Confident66.4Low71 Ų7158.5 Ų58.538%0.3832%0.319SS..Hα-helixtrans-69.7-41.6177.7-76.6-28.4000112.3N8 D9 I10 R15 Q16N8-N12 VanDerWaalsContact O-CB 3.22Å; N8-N12 WeakPolarHBondContact O-CB 3.33Å; N8-N12 PolarHBondContact O-N 3.34Å; N8-N12 PolarHBondContact O-ND2 3.02Å; D9-N12 PolarHBondContact O-N 3.25Å; I10-N12 PolarHBondContact O-N 2.79Å; N12-R15 CarbonylContact O-C 3.57Å; N12-R15 WeakPolarHBondContact O-CA 3.37Å; N12-R15 WeakPolarHBondContact O-CB 3.35Å; N12-R15 PolarHBondContact O-N 3.44Å; N12-R15 PolarHBondContact OD1-NH1 2.9Å; N12-Q16 PolarHBondContact O-N 2.99Å
13A74.3Confident68.1Low30 Ų3054.9 Ų54.925%0.24829%0.293CS..Hα-helixtrans-62.2-51.6173.400000110.2D9 I10 R15 Q16 E17 L66D9-A13 WeakPolarHBondContact O-CB 3.45Å; D9-A13 PolarHBondContact O-N 3.37Å; I10-A13 PolarHBondContact O-N 3.18Å; A13-R15 PolarHBondContact O-N 2.81Å; A13-Q16 PolarHBondContact O-N 3.44Å; A13-E17 PolarHBondContact O-N 3.48Å; A13-L66 HydrophobicContact CB-CD1 4.23Å; A13-L66 HydrophobicContact CB-CD2 4.16Å; A13-L66 WeakPolarHBondContact O-CD1 3.05Å
14I74.7Confident69.4Low0 Ų053 Ų530%028%0.278CS..Hα-helixtrans-47.1-47168-77.5169.7000109I10 S11 Q16 E17 L66 V70 E111 S118 R729I10-I14 HydrophobicContact CG2-CD1 3.76Å; I10-I14 HydrophobicContact CG2-CG1 4.43Å; I10-I14 WeakPolarHBondContact O-CB 3.43Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 2.67Å; S11-I14 WeakPolarHBondContact O-CB 3.46Å; I14-Q16 VanDerWaalsContact C-N 3.28Å; I14-Q16 PolarHBondContact O-N 2.98Å; I14-E17 PolarHBondContact O-N 3.31Å; I14-L66 HydrophobicContact CG1-CD1 4.32Å; I14-V70 HydrophobicContact CD1-CG1 3.93Å; I14-V70 HydrophobicContact CG1-CG1 3.63Å; I14-V70 HydrophobicContact CG1-CG2 4.41Å; I14-E111 HydrophobicContact CG2-CB 4.15Å; I14-E111 HydrophobicContact CG2-CG 3.95Å; I14-S118 WeakPolarHBondContact CD1-O 3.24Å; I14-R729 VanDerWaalsContact C-NH1 3.26Å; I14-R729 VanDerWaalsContact CG2-NH1 3.3Å; I14-R729 PolarHBondContact O-NH1 2.88Å; I14-R729 PolarHBondContact O-NH2 3.44Å
15R78Confident70.7Confident50 Ų5048.4 Ų48.419%0.18926%0.257CS..Hα-helixtrans-66-16.4-178.4-78.8-172.7-87.2148.6178.1116.4S11 N12 A13 I19 E111 N727 R729S11-R15 WeakPolarHBondContact O-CB 3.01Å; S11-R15 WeakPolarHBondContact O-CG 3.33Å; S11-R15 PolarHBondContact O-N 2.91Å; S11-R15 PolarHBondContact O-NE 3.32Å; S11-R15 PolarHBondContact OG-NE 3.11Å; S11-R15 PolarHBondContact OG-NH1 2.91Å; N12-R15 CarbonylContact O-C 3.57Å; N12-R15 WeakPolarHBondContact O-CA 3.37Å; N12-R15 WeakPolarHBondContact O-CB 3.35Å; N12-R15 PolarHBondContact O-N 3.44Å; N12-R15 PolarHBondContact OD1-NH1 2.9Å; A13-R15 PolarHBondContact O-N 2.81Å; R15-I19 WeakPolarHBondContact O-CD1 3.47Å; R15-I19 VanDerWaalsContact O-CG1 3.23Å; R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-E111 VanDerWaalsContact CD-OE2 3.23Å; R15-E111 WeakPolarHBondContact CD-OE2 3.46Å; R15-E111 WeakPolarHBondContact CG-OE2 3.4Å; R15-E111 IonicContact NE-OE1 3.98Å; R15-E111 IonicContact NE-OE2 2.82Å; R15-N727 VanDerWaalsContact CZ-OD1 3.26Å; R15-N727 VanDerWaalsContact NH1-CG 3.33Å; R15-N727 PolarHBondContact NH1-OD1 3.41Å; R15-R729 VanDerWaalsContact CA-CZ 3.41Å; R15-R729 HydrophobicContact CB-CG 4.38Å; R15-R729 HydrophobicContact CG-CG 3.6Å; R15-R729 PolarHBondContact O-NH2 3.31Å
16Q73.6Confident71.9Confident137 Ų13747.7 Ų47.764%0.6425%0.251SS*.Hα-helixtrans-86.5-36.2170.5-68.7166.5-500112.4N12 A13 I14 I19 R20N12-Q16 PolarHBondContact O-N 2.99Å; A13-Q16 PolarHBondContact O-N 3.44Å; I14-Q16 VanDerWaalsContact C-N 3.28Å; I14-Q16 PolarHBondContact O-N 2.98Å; Q16-I19 WeakPolarHBondContact O-CB 3.45Å; Q16-I19 PolarHBondContact O-N 3.33Å; Q16-R20 PolarHBondContact O-N 3.43Å
17E71.8Confident72.8Confident5 Ų549.7 Ų49.72%0.02326%0.257CS..Hα-helixtrans-67.7-44.6-170.8167.749.5-157.400115.4A13 I14 I19 R20 F21 T65 L66 K109A13-E17 PolarHBondContact O-N 3.48Å; I14-E17 PolarHBondContact O-N 3.31Å; E17-I19 VanDerWaalsContact C-N 3.28Å; E17-I19 PolarHBondContact O-N 2.95Å; E17-R20 VanDerWaalsContact CD-NH2 3.3Å; E17-R20 WeakPolarHBondContact O-CB 3.49Å; E17-R20 PolarHBondContact O-N 2.72Å; E17-R20 IonicContact OE1-NH2 2.96Å; E17-R20 PolarHBondContact OE1-NH2 3.26Å; E17-R20 IonicContact OE2-CZ 2.66Å; E17-R20 VanDerWaalsContact OE2-CZ 3.24Å; E17-R20 IonicContact OE2-NE 3.12Å; E17-R20 PolarHBondContact OE2-NE 3.24Å; E17-R20 IonicContact OE2-NH2 2.75Å; E17-R20 PolarHBondContact OE2-NH2 3.14Å; E17-F21 PolarHBondContact O-N 2.87Å; E17-T65 HydrophobicContact CG-CG2 4.13Å; E17-T65 WeakPolarHBondContact OE1-CG2 3.34Å; E17-L66 HydrophobicContact CB-CD1 3.73Å; E17-L66 HydrophobicContact CB-CD2 4.3Å; E17-L66 HydrophobicContact CB-CG 3.81Å; E17-L66 HydrophobicContact CG-CD1 4.43Å; E17-L66 HydrophobicContact CG-CG 4.35Å; E17-K109 IonicContact OE1-NZ 2.75Å; E17-K109 PolarHBondContact OE1-NZ 2.94Å
18I74.1Confident73.5Confident2 Ų246.8 Ų46.81%0.0124%0.242CC..Hα-helixtrans-68.8-29.7174.2-41.7175.5000110.8R20 F21 E22 K109 L120I18-R20 VanDerWaalsContact C-N 3.31Å; I18-R20 PolarHBondContact O-N 3.01Å; I18-F21 WeakPolarHBondContact O-CB 3.16Å; I18-F21 PolarHBondContact O-N 3.01Å; I18-F21 VanDerWaalsContact O-N 3.13Å; I18-E22 HydrophobicContact CG2-CG 3.92Å; I18-E22 WeakPolarHBondContact O-CB 3.37Å; I18-E22 VanDerWaalsContact O-CG 3.25Å; I18-E22 WeakPolarHBondContact O-CG 3.37Å; I18-E22 PolarHBondContact O-N 2.93Å; I18-K109 HydrophobicContact CB-CB 4.22Å; I18-K109 HydrophobicContact CD1-CB 3.55Å; I18-K109 HydrophobicContact CG1-CB 3.55Å; I18-K109 HydrophobicContact CG1-CD 4.15Å; I18-K109 HydrophobicContact CG1-CG 4.48Å; I18-K109 HydrophobicContact CG2-CB 3.73Å; I18-K109 HydrophobicContact CG2-CD 4.5Å; I18-L120 HydrophobicContact CD1-CD1 3.74Å; I18-L120 HydrophobicContact CG1-CD1 3.86Å
19I73.5Confident74Confident73 Ų7345.5 Ų45.537%0.37423%0.231SC..Hα-helixtrans-64.4-41.2174.2-62.2178.6000110R15 Q16 E17 F21 S23 S731 Q732R15-I19 WeakPolarHBondContact O-CD1 3.47Å; R15-I19 VanDerWaalsContact O-CG1 3.23Å; R15-I19 WeakPolarHBondContact O-CG1 3.41Å; Q16-I19 WeakPolarHBondContact O-CB 3.45Å; Q16-I19 PolarHBondContact O-N 3.33Å; E17-I19 VanDerWaalsContact C-N 3.28Å; E17-I19 PolarHBondContact O-N 2.95Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 2.96Å; I19-S23 VanDerWaalsContact O-CB 3.24Å; I19-S23 WeakPolarHBondContact O-CB 3.31Å; I19-S23 PolarHBondContact O-N 3.48Å; I19-S23 PolarHBondContact O-OG 3.45Å; I19-S731 WeakPolarHBondContact CA-OG 3.25Å; I19-Q732 PolarHBondContact O-NE2 3.05Å
20R74.2Confident74.4Confident87 Ų8743 Ų4333%0.32822%0.224SC..Hα-helixtrans-66.5-28.5173.7-167.1-164.866.475.16.6113.1Q16 E17 I18 S23 W64Q16-R20 PolarHBondContact O-N 3.43Å; E17-R20 VanDerWaalsContact CD-NH2 3.3Å; E17-R20 WeakPolarHBondContact O-CB 3.49Å; E17-R20 PolarHBondContact O-N 2.72Å; E17-R20 IonicContact OE1-NH2 2.96Å; E17-R20 PolarHBondContact OE1-NH2 3.26Å; E17-R20 IonicContact OE2-CZ 2.66Å; E17-R20 VanDerWaalsContact OE2-CZ 3.24Å; E17-R20 IonicContact OE2-NE 3.12Å; E17-R20 PolarHBondContact OE2-NE 3.24Å; E17-R20 IonicContact OE2-NH2 2.75Å; E17-R20 PolarHBondContact OE2-NH2 3.14Å; I18-R20 VanDerWaalsContact C-N 3.31Å; I18-R20 PolarHBondContact O-N 3.01Å; R20-S23 VanDerWaalsContact C-OG 3.3Å; R20-S23 WeakPolarHBondContact CA-OG 3.21Å; R20-S23 PolarHBondContact O-OG 3.34Å; R20-W64 PolarHBondContact NH2-O 3.22Å
21F71.8Confident74.9Confident14 Ų1443.7 Ų43.76%0.06123%0.228CC..Hα-helixtrans-77.8-52.4175.9-178-101.4000111.2E17 I18 I19 S23 V24 F58 K109E17-F21 PolarHBondContact O-N 2.87Å; I18-F21 WeakPolarHBondContact O-CB 3.16Å; I18-F21 PolarHBondContact O-N 3.01Å; I18-F21 VanDerWaalsContact O-N 3.13Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 2.96Å; F21-S23 PolarHBondContact O-N 3.34Å; F21-V24 PolarHBondContact O-N 2.68Å; F21-F58 HydrophobicContact CD2-CD1 4.15Å; F21-F58 AromaticContact CD2-CE1 3.41Å; F21-F58 HydrophobicContact CD2-CE1 3.41Å; F21-F58 VanDerWaalsContact CD2-CE1 3.41Å; F21-F58 HydrophobicContact CD2-CZ 4.22Å; F21-F58 HydrophobicContact CE2-CD1 4.05Å; F21-F58 AromaticContact CE2-CE1 3.77Å; F21-F58 HydrophobicContact CE2-CE1 3.77Å; F21-F58 HydrophobicContact CG-CE1 4.26Å; F21-K109 HydrophobicContact CB-CD 4.06Å; F21-K109 HydrophobicContact CD1-CD 3.95Å; F21-K109 HydrophobicContact CD1-CG 4.1Å; F21-K109 HydrophobicContact CD2-CD 4.22Å; F21-K109 VanDerWaalsContact CD2-CE 3.45Å; F21-K109 HydrophobicContact CE1-CD 4.48Å; F21-K109 HydrophobicContact CE1-CG 4.27Å; F21-K109 HydrophobicContact CG-CD 3.81Å; F21-K109 HydrophobicContact CG-CG 4.45Å
22E71.4Confident75.4Confident14 Ų1445.6 Ų45.67%0.06524%0.235CC..Hα-helixtrans-56.2-34.6174-69.2162.2154.200111.1I18 V24 S731 F734I18-E22 HydrophobicContact CG2-CG 3.92Å; I18-E22 WeakPolarHBondContact O-CB 3.37Å; I18-E22 VanDerWaalsContact O-CG 3.25Å; I18-E22 WeakPolarHBondContact O-CG 3.37Å; I18-E22 PolarHBondContact O-N 2.93Å; E22-V24 PolarHBondContact O-N 3.2Å; E22-V24 VanDerWaalsContact O-N 3.08Å; E22-S731 WeakPolarHBondContact CB-O 3.48Å; E22-S731 VanDerWaalsContact CD-N 3.32Å; E22-S731 VanDerWaalsContact CD-O 3.29Å; E22-S731 PolarHBondContact OE1-N 3.39Å; E22-S731 WeakPolarHBondContact OE2-CA 3.44Å; E22-S731 VanDerWaalsContact OE2-CB 3.23Å; E22-S731 WeakPolarHBondContact OE2-CB 3.37Å; E22-S731 PolarHBondContact OE2-N 3.04Å; E22-S731 PolarHBondContact OE2-OG 3.01Å; E22-F734 WeakPolarHBondContact O-CE2 3.34Å; E22-F734 WeakPolarHBondContact O-CZ 3.18Å
23S71.4Confident75.8Confident34 Ų3446.4 Ų46.424%0.23824%0.239CC..THydrogen-bonded Turntrans-68.7-2.2-179.863.70000116.4I19 R20 F21 P26 N27I19-S23 VanDerWaalsContact O-CB 3.24Å; I19-S23 WeakPolarHBondContact O-CB 3.31Å; I19-S23 PolarHBondContact O-N 3.48Å; I19-S23 PolarHBondContact O-OG 3.45Å; R20-S23 VanDerWaalsContact C-OG 3.3Å; R20-S23 WeakPolarHBondContact CA-OG 3.21Å; R20-S23 PolarHBondContact O-OG 3.34Å; F21-S23 PolarHBondContact O-N 3.34Å; S23-P26 WeakPolarHBondContact O-CD 3.21Å; S23-N27 PolarHBondContact O-ND2 3.28Å
24V70.9Confident76.4Confident37 Ų3750.8 Ų50.822%0.22426%0.258CS..THydrogen-bonded Turntrans-97.3-30.7-177.6173.90000113.4F21 E22 P26 N27 I28 F58F21-V24 PolarHBondContact O-N 2.68Å; E22-V24 PolarHBondContact O-N 3.2Å; E22-V24 VanDerWaalsContact O-N 3.08Å; V24-P26 WeakPolarHBondContact O-CD 3.33Å; V24-N27 PolarHBondContact O-N 2.99Å; V24-I28 HydrophobicContact CG1-CD1 3.82Å; V24-I28 HydrophobicContact CG1-CG1 4.22Å; V24-I28 PolarHBondContact O-N 3.36Å; V24-I28 VanDerWaalsContact O-N 3.13Å; V24-F58 HydrophobicContact CB-CD1 4.44Å; V24-F58 HydrophobicContact CB-CD2 4.49Å; V24-F58 HydrophobicContact CB-CE1 3.86Å; V24-F58 HydrophobicContact CB-CE2 4.01Å; V24-F58 HydrophobicContact CB-CZ 3.67Å; V24-F58 HydrophobicContact CG1-CD1 4.22Å; V24-F58 HydrophobicContact CG1-CD2 3.96Å; V24-F58 HydrophobicContact CG1-CE1 4.13Å; V24-F58 HydrophobicContact CG1-CE2 3.96Å; V24-F58 HydrophobicContact CG1-CG 4.16Å; V24-F58 HydrophobicContact CG1-CZ 4.04Å; V24-F58 HydrophobicContact CG2-CD2 4.35Å; V24-F58 HydrophobicContact CG2-CE1 4.09Å; V24-F58 HydrophobicContact CG2-CE2 3.53Å; V24-F58 HydrophobicContact CG2-CZ 3.36Å
25H70.8Confident77.1Confident34 Ų3451.1 Ų51.116%0.15726%0.26CS..Hα-helixtrans-58-29.3172.5-66.3-68.7000116.5N27 I28 Y29 E55 F734H25-N27 VanDerWaalsContact C-N 3.29Å; H25-N27 PolarHBondContact O-N 3.07Å; H25-I28 PolarHBondContact O-N 3.15Å; H25-Y29 HydrophobicContact CB-CD2 4.33Å; H25-Y29 HydrophobicContact CB-CE2 3.74Å; H25-Y29 WeakPolarHBondContact O-CD2 3.11Å; H25-Y29 PolarHBondContact O-N 2.81Å; H25-E55 IonicContact CE1-OE1 2.69Å; H25-E55 IonicContact ND1-OE1 2.77Å; H25-E55 PolarHBondContact ND1-OE1 2.69Å; H25-F734 HydrophobicContact CB-CD1 3.91Å; H25-F734 HydrophobicContact CB-CD2 4.01Å; H25-F734 HydrophobicContact CB-CE1 3.82Å; H25-F734 HydrophobicContact CB-CE2 3.77Å; H25-F734 HydrophobicContact CB-CG 4.14Å; H25-F734 HydrophobicContact CB-CZ 3.75Å
26P73.1Confident77.5Confident46 Ų4653.8 Ų53.830%0.29928%0.278SS..Hα-helixtrans-66.8-38.1177.84.45.1000110.9S23 V24 A30 F734S23-P26 WeakPolarHBondContact O-CD 3.21Å; V24-P26 WeakPolarHBondContact O-CD 3.33Å; P26-A30 VanDerWaalsContact O-CB 3.23Å; P26-A30 WeakPolarHBondContact O-CB 3.43Å; P26-A30 PolarHBondContact O-N 2.85Å; P26-F734 VanDerWaalsContact CA-CE1 3.46Å; P26-F734 HydrophobicContact CB-CE1 3.62Å; P26-F734 HydrophobicContact CB-CZ 4.39Å; P26-F734 VanDerWaalsContact CD-CZ 3.44Å; P26-F734 HydrophobicContact CG-CE1 3.45Å; P26-F734 VanDerWaalsContact CG-CE1 3.45Å; P26-F734 HydrophobicContact CG-CZ 3.72Å
27N77.4Confident78.2Confident96 Ų9650.9 Ų50.951%0.51328%0.278SS..Hα-helixtrans-74.3-39.2-177.5-56-69.5000109.9S23 V24 H25 A30 I31S23-N27 PolarHBondContact O-ND2 3.28Å; V24-N27 PolarHBondContact O-N 2.99Å; H25-N27 VanDerWaalsContact C-N 3.29Å; H25-N27 PolarHBondContact O-N 3.07Å; N27-A30 PolarHBondContact O-N 3.38Å; N27-I31 WeakPolarHBondContact O-CD1 3.46Å; N27-I31 WeakPolarHBondContact O-CG1 3.35Å; N27-I31 PolarHBondContact O-N 3.1Å
28I77Confident79.1Confident10 Ų1053 Ų535%0.05129%0.29CS..Hα-helixtrans-59.9-50.7172.1-69.8173.3000111.1V24 H25 A30 I31 Y32 V51 E55V24-I28 HydrophobicContact CG1-CD1 3.82Å; V24-I28 HydrophobicContact CG1-CG1 4.22Å; V24-I28 PolarHBondContact O-N 3.36Å; V24-I28 VanDerWaalsContact O-N 3.13Å; H25-I28 PolarHBondContact O-N 3.15Å; I28-A30 PolarHBondContact O-N 3.34Å; I28-I31 PolarHBondContact O-N 3.3Å; I28-I31 VanDerWaalsContact O-N 3.13Å; I28-Y32 HydrophobicContact CG2-CD2 3.85Å; I28-Y32 HydrophobicContact CG2-CE2 3.39Å; I28-Y32 WeakPolarHBondContact O-CD2 3.15Å; I28-Y32 PolarHBondContact O-N 3.06Å; I28-V51 HydrophobicContact CG2-CG1 4.07Å; I28-E55 HydrophobicContact CD1-CB 4.01Å; I28-E55 HydrophobicContact CD1-CG 3.91Å
29Y76.5Confident79.8Confident58 Ų5862.3 Ų62.323%0.22733%0.334CS..Hα-helixtrans-67.7-35.6179.6-56.5-40.8000113H25 I31 Y32 D33 F734 F736H25-Y29 HydrophobicContact CB-CD2 4.33Å; H25-Y29 HydrophobicContact CB-CE2 3.74Å; H25-Y29 WeakPolarHBondContact O-CD2 3.11Å; H25-Y29 PolarHBondContact O-N 2.81Å; Y29-I31 VanDerWaalsContact C-N 3.29Å; Y29-I31 PolarHBondContact O-N 2.85Å; Y29-Y32 HydrophobicContact CD1-CD2 4.03Å; Y29-Y32 HydrophobicContact CD1-CE2 4.44Å; Y29-Y32 PolarHBondContact O-N 3.3Å; Y29-D33 PolarHBondContact O-N 3.02Å; Y29-F734 AromaticContact CD2-CD1 3.8Å; Y29-F734 HydrophobicContact CD2-CD1 3.8Å; Y29-F734 HydrophobicContact CD2-CG 4.3Å; Y29-F734 HydrophobicContact CE2-CB 4.27Å; Y29-F734 AromaticContact CE2-CD1 3.87Å; Y29-F734 HydrophobicContact CE2-CD1 3.87Å; Y29-F734 AromaticContact CE2-CG 3.95Å; Y29-F734 HydrophobicContact CE2-CG 3.95Å; Y29-F736 AromaticContact CD1-CE1 3.87Å; Y29-F736 HydrophobicContact CD1-CE1 3.87Å; Y29-F736 AromaticContact CD1-CZ 3.78Å; Y29-F736 HydrophobicContact CD1-CZ 3.78Å; Y29-F736 HydrophobicContact CD2-CE1 4.19Å; Y29-F736 HydrophobicContact CD2-CE2 4.17Å; Y29-F736 AromaticContact CD2-CZ 3.82Å; Y29-F736 HydrophobicContact CD2-CZ 3.82Å; Y29-F736 AromaticContact CE1-CE1 3.99Å; Y29-F736 HydrophobicContact CE1-CE1 3.99Å; Y29-F736 HydrophobicContact CE1-CE2 4.39Å; Y29-F736 AromaticContact CE1-CZ 3.44Å; Y29-F736 HydrophobicContact CE1-CZ 3.44Å; Y29-F736 VanDerWaalsContact CE1-CZ 3.44Å; Y29-F736 HydrophobicContact CE2-CE1 4.24Å; Y29-F736 AromaticContact CE2-CE2 3.61Å; Y29-F736 HydrophobicContact CE2-CE2 3.61Å; Y29-F736 AromaticContact CE2-CZ 3.43Å; Y29-F736 HydrophobicContact CE2-CZ 3.43Å; Y29-F736 VanDerWaalsContact CE2-CZ 3.43Å; Y29-F736 HydrophobicContact CG-CE1 4.04Å; Y29-F736 HydrophobicContact CG-CZ 4.02Å; Y29-F736 AromaticContact CZ-CE2 3.78Å; Y29-F736 AromaticContact CZ-CZ 3.27Å
30A80.6Confident80.7Confident45 Ų4562.5 Ų62.537%0.37234%0.336SS..Hα-helixtrans-63.8-32.2171.100000112.9P26 N27 I28 L34P26-A30 VanDerWaalsContact O-CB 3.23Å; P26-A30 WeakPolarHBondContact O-CB 3.43Å; P26-A30 PolarHBondContact O-N 2.85Å; N27-A30 PolarHBondContact O-N 3.38Å; I28-A30 PolarHBondContact O-N 3.34Å; A30-L34 VanDerWaalsContact O-CG 3.27Å; A30-L34 WeakPolarHBondContact O-CG 3.2Å; A30-L34 PolarHBondContact O-N 3.04Å; A30-L34 VanDerWaalsContact O-N 3.08Å
31I84.9Confident81.4Confident74 Ų7466.6 Ų66.638%0.37936%0.356SS..Hα-helixtrans-70.6-40.1172.3-65.5159000110.5N27 I28 Y29 L34 I35 V51N27-I31 WeakPolarHBondContact O-CD1 3.46Å; N27-I31 WeakPolarHBondContact O-CG1 3.35Å; N27-I31 PolarHBondContact O-N 3.1Å; I28-I31 PolarHBondContact O-N 3.3Å; I28-I31 VanDerWaalsContact O-N 3.13Å; Y29-I31 VanDerWaalsContact C-N 3.29Å; Y29-I31 PolarHBondContact O-N 2.85Å; I31-L34 PolarHBondContact O-N 3.36Å; I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 HydrophobicContact CG2-CG1 4.33Å; I31-I35 VanDerWaalsContact O-CG1 3.24Å; I31-I35 WeakPolarHBondContact O-CG1 3.22Å; I31-I35 PolarHBondContact O-N 3.29Å; I31-V51 HydrophobicContact CG2-CG2 3.53Å
32Y86.9Confident82.3Confident40 Ų4071.7 Ų71.716%0.15738%0.384CS..Hα-helixtrans-62.4-43.4173.1-69.7-59.8000112.1I28 Y29 L34 I35 D36 R48 V51 V52 E55I28-Y32 HydrophobicContact CG2-CD2 3.85Å; I28-Y32 HydrophobicContact CG2-CE2 3.39Å; I28-Y32 WeakPolarHBondContact O-CD2 3.15Å; I28-Y32 PolarHBondContact O-N 3.06Å; Y29-Y32 HydrophobicContact CD1-CD2 4.03Å; Y29-Y32 HydrophobicContact CD1-CE2 4.44Å; Y29-Y32 PolarHBondContact O-N 3.3Å; Y32-L34 VanDerWaalsContact C-N 3.27Å; Y32-L34 PolarHBondContact O-N 2.87Å; Y32-I35 HydrophobicContact CD1-CD1 4.4Å; Y32-I35 PolarHBondContact O-N 3.44Å; Y32-D36 PolarHBondContact O-N 2.98Å; Y32-R48 HydrophobicContact CD1-CG 4.3Å; Y32-R48 HydrophobicContact CE1-CB 4.37Å; Y32-R48 HydrophobicContact CE1-CG 4.39Å; Y32-V51 HydrophobicContact CD1-CG1 4.41Å; Y32-V51 HydrophobicContact CE1-CB 4.04Å; Y32-V51 HydrophobicContact CE1-CG1 3.78Å; Y32-V51 HydrophobicContact CE2-CG1 3.93Å; Y32-V52 WeakPolarHBondContact OH-CG2 3.32Å; Y32-E55 PolarHBondContact OH-OE2 3.41Å
33D85.7Confident83.3Confident88 Ų8875.1 Ų75.147%0.47140%0.402SS..Hα-helixtrans-56.4-39.5172.6-84.4-30.8000112.2Y29 A37Y29-D33 PolarHBondContact O-N 3.02Å; D33-A37 PolarHBondContact O-N 3.29Å
34L87.2Confident84.1Confident123 Ų12373.9 Ų73.964%0.64439%0.394SS*.Hα-helixtrans-70.7-34.2175.4-73168.9000112.7A30 I31 Y32 A37A30-L34 VanDerWaalsContact O-CG 3.27Å; A30-L34 WeakPolarHBondContact O-CG 3.2Å; A30-L34 PolarHBondContact O-N 3.04Å; A30-L34 VanDerWaalsContact O-N 3.08Å; I31-L34 PolarHBondContact O-N 3.36Å; Y32-L34 VanDerWaalsContact C-N 3.27Å; Y32-L34 PolarHBondContact O-N 2.87Å; L34-A37 WeakPolarHBondContact O-CB 3.41Å; L34-A37 PolarHBondContact O-N 3.26Å
35I87.7Confident85Confident6 Ų678 Ų783%0.03141%0.411CS..Hα-helixtrans-70-36.8175-69163.5000111.1I31 Y32 A37 V38 A44 L47 R48 V51I31-I35 HydrophobicContact CG2-CD1 3.78Å; I31-I35 HydrophobicContact CG2-CG1 4.33Å; I31-I35 VanDerWaalsContact O-CG1 3.24Å; I31-I35 WeakPolarHBondContact O-CG1 3.22Å; I31-I35 PolarHBondContact O-N 3.29Å; Y32-I35 HydrophobicContact CD1-CD1 4.4Å; Y32-I35 PolarHBondContact O-N 3.44Å; I35-A37 PolarHBondContact O-N 2.93Å; I35-V38 WeakPolarHBondContact O-CB 3.19Å; I35-V38 PolarHBondContact O-N 3.42Å; I35-A44 HydrophobicContact CG2-CB 3.84Å; I35-A44 VanDerWaalsContact CG2-O 3.29Å; I35-A44 WeakPolarHBondContact CG2-O 3.31Å; I35-L47 HydrophobicContact CD1-CB 3.7Å; I35-L47 HydrophobicContact CG1-CB 3.79Å; I35-L47 HydrophobicContact CG1-CD1 4.27Å; I35-L47 HydrophobicContact CG2-CB 4.44Å; I35-R48 HydrophobicContact CD1-CG 4.37Å; I35-R48 HydrophobicContact CG2-CG 3.68Å; I35-V51 HydrophobicContact CD1-CG2 3.86Å
36D87.8Confident86Confident106 Ų10679.8 Ų79.857%0.56743%0.427SS*.Hα-helixtrans-65.9-16.4172.2-85.4-68.9000113.6Y32 R48Y32-D36 PolarHBondContact O-N 2.98Å; D36-R48 IonicContact OD1-CZ 2.68Å; D36-R48 IonicContact OD1-NH1 3.71Å; D36-R48 IonicContact OD1-NH2 3.15Å; D36-R48 PolarHBondContact OD1-NH2 2.87Å; D36-R48 IonicContact OD2-CZ 2.69Å; D36-R48 IonicContact OD2-NH1 2.99Å; D36-R48 PolarHBondContact OD2-NH1 2.98Å; D36-R48 IonicContact OD2-NH2 3.22Å; D36-R48 PolarHBondContact OD2-NH2 3.23Å
37A88.6Confident86.8Confident77 Ų7780.5 Ų80.564%0.63643%0.428SS*.THydrogen-bonded Turntrans-87.4-3.9171.400000114.3D33 L34 I35D33-A37 PolarHBondContact O-N 3.29Å; L34-A37 WeakPolarHBondContact O-CB 3.41Å; L34-A37 PolarHBondContact O-N 3.26Å; I35-A37 PolarHBondContact O-N 2.93Å
38V88.9Confident87.4Confident48 Ų4879 Ų7929%0.29142%0.415SS..  trans-83.9120179.2178.70000110.8I35 D40 L43 A44I35-V38 WeakPolarHBondContact O-CB 3.19Å; I35-V38 PolarHBondContact O-N 3.42Å; V38-D40 PolarHBondContact O-N 2.8Å; V38-L43 HydrophobicContact CG1-CB 4.38Å; V38-L43 HydrophobicContact CG1-CD2 4.09Å; V38-L43 HydrophobicContact CG1-CG 4.29Å; V38-A44 HydrophobicContact CB-CB 4.2Å; V38-A44 HydrophobicContact CG1-CB 4.37Å
39E89.4Confident87.9Confident198 Ų19884.5 Ų84.593%0.92544%0.441SS*.SBendtrans-68-31.4-179.2-62.3-168164.100113.8K41E39-K41 PolarHBondContact O-N 3.43Å
40D92.2Very high88.5Confident78 Ų7886.7 Ų86.742%0.41746%0.456SS..  trans-80.8108.3173.9178.815000111.4V38 N42 L43 A44V38-D40 PolarHBondContact O-N 2.8Å; D40-N42 VanDerWaalsContact C-N 3.27Å; D40-N42 PolarHBondContact O-N 3.37Å; D40-N42 PolarHBondContact OD1-N 3.46Å; D40-N42 PolarHBondContact OD1-ND2 3.01Å; D40-L43 HydrophobicContact CB-CB 4.14Å; D40-L43 PolarHBondContact O-N 3.02Å; D40-A44 WeakPolarHBondContact O-CB 3.16Å; D40-A44 PolarHBondContact O-N 3.04Å
41K89Confident88.8Confident172 Ų17285.2 Ų85.275%0.74844%0.442SS*.Hα-helixtrans-61.3-30.1178.8-60.8-169.6176-166.60114E39 E45E39-K41 PolarHBondContact O-N 3.43Å; K41-E45 WeakPolarHBondContact O-CB 3.26Å; K41-E45 PolarHBondContact O-N 2.96Å
42N91Very high88.7Confident121 Ų12184.4 Ų84.465%0.64744%0.44SS*.Hα-helixtrans-74.6-42.9-178-52.4-71.2000110.5D40 S46D40-N42 VanDerWaalsContact C-N 3.27Å; D40-N42 PolarHBondContact O-N 3.37Å; D40-N42 PolarHBondContact OD1-N 3.46Å; D40-N42 PolarHBondContact OD1-ND2 3.01Å; N42-S46 WeakPolarHBondContact O-CB 3.42Å; N42-S46 PolarHBondContact O-N 3.5Å; N42-S46 VanDerWaalsContact O-N 3.07Å; N42-S46 PolarHBondContact O-OG 3.47Å
43L91.5Very high88.4Confident87 Ų8785.9 Ų85.946%0.45546%0.457SS..Hα-helixtrans-62.7-45.9170.5179.459.3000111V38 D40 E45 S46 L47V38-L43 HydrophobicContact CG1-CB 4.38Å; V38-L43 HydrophobicContact CG1-CD2 4.09Å; V38-L43 HydrophobicContact CG1-CG 4.29Å; D40-L43 HydrophobicContact CB-CB 4.14Å; D40-L43 PolarHBondContact O-N 3.02Å; L43-E45 PolarHBondContact O-N 3.14Å; L43-S46 PolarHBondContact O-N 2.84Å; L43-L47 HydrophobicContact CD1-CD1 4.11Å; L43-L47 HydrophobicContact CD1-CG 4.16Å; L43-L47 HydrophobicContact CG-CD1 3.98Å; L43-L47 HydrophobicContact CG-CG 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 2.79Å
44A88.9Confident88.2Confident8 Ų887 Ų877%0.06646%0.461CS..Hα-helixtrans-57.5-49.9178.500000112I35 V38 D40 S46 L47 R48I35-A44 HydrophobicContact CG2-CB 3.84Å; I35-A44 VanDerWaalsContact CG2-O 3.29Å; I35-A44 WeakPolarHBondContact CG2-O 3.31Å; V38-A44 HydrophobicContact CB-CB 4.2Å; V38-A44 HydrophobicContact CG1-CB 4.37Å; D40-A44 WeakPolarHBondContact O-CB 3.16Å; D40-A44 PolarHBondContact O-N 3.04Å; A44-S46 PolarHBondContact O-N 3.38Å; A44-L47 PolarHBondContact O-N 2.9Å; A44-R48 WeakPolarHBondContact O-CG 3.41Å; A44-R48 PolarHBondContact O-N 3.23Å
45E90.3Very high87.6Confident124 Ų12482.8 Ų82.858%0.57944%0.439SS*.Hα-helixtrans-62.3-41.8178.2-165.565.5-168.100112.1K41 L43 L47 R48 Q49K41-E45 WeakPolarHBondContact O-CB 3.26Å; K41-E45 PolarHBondContact O-N 2.96Å; L43-E45 PolarHBondContact O-N 3.14Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.37Å; E45-R48 PolarHBondContact O-N 2.62Å; E45-Q49 PolarHBondContact O-N 3.03Å
46S91.5Very high86.7Confident70 Ų7086.6 Ų86.649%0.4946%0.459SS..Hα-helixtrans-61.5-38.9175.9-57.30000112N42 L43 A44 L50N42-S46 WeakPolarHBondContact O-CB 3.42Å; N42-S46 PolarHBondContact O-N 3.5Å; N42-S46 VanDerWaalsContact O-N 3.07Å; N42-S46 PolarHBondContact O-OG 3.47Å; L43-S46 PolarHBondContact O-N 2.84Å; A44-S46 PolarHBondContact O-N 3.38Å; S46-L50 WeakPolarHBondContact O-CG 3.45Å; S46-L50 PolarHBondContact O-N 2.88Å
47L90.1Very high85.8Confident62 Ų6284.2 Ų84.233%0.32545%0.454SS..Hα-helixtrans-68.8-42174.7-69.9170000111.6I35 L43 A44 E45 Q49 L50 V51I35-L47 HydrophobicContact CD1-CB 3.7Å; I35-L47 HydrophobicContact CG1-CB 3.79Å; I35-L47 HydrophobicContact CG1-CD1 4.27Å; I35-L47 HydrophobicContact CG2-CB 4.44Å; L43-L47 HydrophobicContact CD1-CD1 4.11Å; L43-L47 HydrophobicContact CD1-CG 4.16Å; L43-L47 HydrophobicContact CG-CD1 3.98Å; L43-L47 HydrophobicContact CG-CG 4.46Å; L43-L47 WeakPolarHBondContact O-CB 3.44Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 2.79Å; A44-L47 PolarHBondContact O-N 2.9Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.37Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.33Å; L47-L50 PolarHBondContact O-N 3.39Å; L47-V51 WeakPolarHBondContact O-CG2 3.31Å; L47-V51 PolarHBondContact O-N 2.67Å
48R89.4Confident84.9Confident63 Ų6381.7 Ų81.724%0.23843%0.429CS..Hα-helixtrans-58.7-46.2174.3-64-166.5-158.6-91.9-0.9111Y32 I35 D36 A44 E45 L50 V51 V52Y32-R48 HydrophobicContact CD1-CG 4.3Å; Y32-R48 HydrophobicContact CE1-CB 4.37Å; Y32-R48 HydrophobicContact CE1-CG 4.39Å; I35-R48 HydrophobicContact CD1-CG 4.37Å; I35-R48 HydrophobicContact CG2-CG 3.68Å; D36-R48 IonicContact OD1-CZ 2.68Å; D36-R48 IonicContact OD1-NH1 3.71Å; D36-R48 IonicContact OD1-NH2 3.15Å; D36-R48 PolarHBondContact OD1-NH2 2.87Å; D36-R48 IonicContact OD2-CZ 2.69Å; D36-R48 IonicContact OD2-NH1 2.99Å; D36-R48 PolarHBondContact OD2-NH1 2.98Å; D36-R48 IonicContact OD2-NH2 3.22Å; D36-R48 PolarHBondContact OD2-NH2 3.23Å; A44-R48 WeakPolarHBondContact O-CG 3.41Å; A44-R48 PolarHBondContact O-N 3.23Å; E45-R48 PolarHBondContact O-N 2.62Å; R48-L50 VanDerWaalsContact C-N 3.26Å; R48-L50 PolarHBondContact O-N 2.65Å; R48-V51 PolarHBondContact O-N 3.15Å; R48-V51 VanDerWaalsContact O-N 3.1Å; R48-V52 WeakPolarHBondContact O-CG2 3.5Å; R48-V52 PolarHBondContact O-N 3.45Å
49Q87.6Confident83.7Confident126 Ų12680.9 Ų80.959%0.58942%0.424SS*.Hα-helixtrans-63.2-33.3-178.8-173.959.193.300112.6E45 L47 S53E45-Q49 PolarHBondContact O-N 3.03Å; L47-Q49 VanDerWaalsContact C-N 3.33Å; L47-Q49 PolarHBondContact O-N 3.33Å; Q49-S53 WeakPolarHBondContact O-CB 3.36Å; Q49-S53 PolarHBondContact O-N 2.99Å; Q49-S53 VanDerWaalsContact O-N 3.14Å
50L88.8Confident82.3Confident105 Ų10574.3 Ų74.355%0.5540%0.395SS..Hα-helixtrans-69.5-43.3171.3-73.2168.7000112.2S46 L47 R48 S53 I54S46-L50 WeakPolarHBondContact O-CG 3.45Å; S46-L50 PolarHBondContact O-N 2.88Å; L47-L50 PolarHBondContact O-N 3.39Å; R48-L50 VanDerWaalsContact C-N 3.26Å; R48-L50 PolarHBondContact O-N 2.65Å; L50-S53 PolarHBondContact O-N 3.23Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.32Å; L50-I54 PolarHBondContact O-N 2.82Å
51V87.1Confident80.9Confident13 Ų1372 Ų728%0.07939%0.385CS..Hα-helixtrans-64-44.7177.6176.20000111.2I28 I31 Y32 I35 L47 R48 S53 I54 E55I28-V51 HydrophobicContact CG2-CG1 4.07Å; I31-V51 HydrophobicContact CG2-CG2 3.53Å; Y32-V51 HydrophobicContact CD1-CG1 4.41Å; Y32-V51 HydrophobicContact CE1-CB 4.04Å; Y32-V51 HydrophobicContact CE1-CG1 3.78Å; Y32-V51 HydrophobicContact CE2-CG1 3.93Å; I35-V51 HydrophobicContact CD1-CG2 3.86Å; L47-V51 WeakPolarHBondContact O-CG2 3.31Å; L47-V51 PolarHBondContact O-N 2.67Å; R48-V51 PolarHBondContact O-N 3.15Å; R48-V51 VanDerWaalsContact O-N 3.1Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 2.83Å; V51-I54 CarbonylContact O-C 3.58Å; V51-I54 PolarHBondContact O-N 2.68Å; V51-E55 WeakPolarHBondContact O-CB 3.28Å; V51-E55 PolarHBondContact O-N 3.05Å
52V82.5Confident79.2Confident57 Ų5766.9 Ų66.935%0.34536%0.364SS..Hα-helixtrans-55.9-44.7172.5171.50000110.5Y32 R48 I54 E55 D56Y32-V52 WeakPolarHBondContact OH-CG2 3.32Å; R48-V52 WeakPolarHBondContact O-CG2 3.5Å; R48-V52 PolarHBondContact O-N 3.45Å; V52-I54 VanDerWaalsContact C-N 3.31Å; V52-I54 PolarHBondContact O-N 2.82Å; V52-E55 PolarHBondContact O-N 2.88Å; V52-D56 WeakPolarHBondContact O-CB 3.39Å; V52-D56 PolarHBondContact O-N 3.12Å
53S81.4Confident77.3Confident71 Ų7168.2 Ų68.250%0.49737%0.366SS..Hα-helixtrans-65.6-30.7177.5-173.10000113.6Q49 L50 V51 A57Q49-S53 WeakPolarHBondContact O-CB 3.36Å; Q49-S53 PolarHBondContact O-N 2.99Å; Q49-S53 VanDerWaalsContact O-N 3.14Å; L50-S53 PolarHBondContact O-N 3.23Å; V51-S53 VanDerWaalsContact C-N 3.29Å; V51-S53 PolarHBondContact O-N 2.83Å; S53-A57 VanDerWaalsContact O-CB 3.32Å; S53-A57 WeakPolarHBondContact O-CB 3.36Å; S53-A57 PolarHBondContact O-N 3.41Å
54I80.5Confident75.5Confident111 Ų11170.7 Ų70.757%0.56937%0.369SS*.Hα-helixtrans-76.4-40175.4-69162.8000110.6L50 V51 V52 A57 F58L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.32Å; L50-I54 PolarHBondContact O-N 2.82Å; V51-I54 CarbonylContact O-C 3.58Å; V51-I54 PolarHBondContact O-N 2.68Å; V52-I54 VanDerWaalsContact C-N 3.31Å; V52-I54 PolarHBondContact O-N 2.82Å; I54-A57 PolarHBondContact O-N 2.81Å; I54-F58 WeakPolarHBondContact O-CB 3.46Å; I54-F58 PolarHBondContact O-N 3.4Å
55E74.9Confident73.8Confident36 Ų3672 Ų7217%0.16838%0.377CS..Hα-helixtrans-62.6-48.3174.4-176157.3-146.700110.3H25 I28 Y32 V51 V52 A57 F58 V59H25-E55 IonicContact CE1-OE1 2.69Å; H25-E55 IonicContact ND1-OE1 2.77Å; H25-E55 PolarHBondContact ND1-OE1 2.69Å; I28-E55 HydrophobicContact CD1-CB 4.01Å; I28-E55 HydrophobicContact CD1-CG 3.91Å; Y32-E55 PolarHBondContact OH-OE2 3.41Å; V51-E55 WeakPolarHBondContact O-CB 3.28Å; V51-E55 PolarHBondContact O-N 3.05Å; V52-E55 PolarHBondContact O-N 2.88Å; E55-A57 PolarHBondContact O-N 3.4Å; E55-F58 PolarHBondContact O-N 2.82Å; E55-V59 HydrophobicContact CG-CG2 4.39Å; E55-V59 VanDerWaalsContact O-CB 3.22Å; E55-V59 WeakPolarHBondContact O-CB 3.44Å; E55-V59 WeakPolarHBondContact O-CG2 3.19Å; E55-V59 PolarHBondContact O-N 3.23Å
56D68.4Low72.1Confident86 Ų8668.4 Ų68.446%0.4636%0.361SS..Hα-helixtrans-56.3-47.8171-108-38.3000111.6V52 F58 V59 N60V52-D56 WeakPolarHBondContact O-CB 3.39Å; V52-D56 PolarHBondContact O-N 3.12Å; D56-F58 VanDerWaalsContact C-N 3.33Å; D56-F58 PolarHBondContact O-N 2.69Å; D56-V59 PolarHBondContact O-N 2.94Å; D56-N60 VanDerWaalsContact O-CB 3.22Å; D56-N60 WeakPolarHBondContact O-CB 3.31Å; D56-N60 PolarHBondContact O-N 3.35Å; D56-N60 PolarHBondContact O-ND2 3.46Å; D56-N60 PolarHBondContact OD1-ND2 2.75Å
57A70.7Confident70.4Confident56 Ų5669.9 Ų69.946%0.46337%0.371SS..Hα-helixtrans-61.1-41.4178.400000112S53 I54 E55 S61S53-A57 VanDerWaalsContact O-CB 3.32Å; S53-A57 WeakPolarHBondContact O-CB 3.36Å; S53-A57 PolarHBondContact O-N 3.41Å; I54-A57 PolarHBondContact O-N 2.81Å; E55-A57 PolarHBondContact O-N 3.4Å; A57-S61 VanDerWaalsContact O-CB 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.48Å; A57-S61 PolarHBondContact O-N 2.92Å
58F69Low68.8Low23 Ų2373.6 Ų73.610%0.10139%0.391CS..Hα-helixtrans-64.8-45176.5-170.7-88.2000112.1F21 V24 I54 E55 D56 S61 W64F21-F58 HydrophobicContact CD2-CD1 4.15Å; F21-F58 AromaticContact CD2-CE1 3.41Å; F21-F58 HydrophobicContact CD2-CE1 3.41Å; F21-F58 VanDerWaalsContact CD2-CE1 3.41Å; F21-F58 HydrophobicContact CD2-CZ 4.22Å; F21-F58 HydrophobicContact CE2-CD1 4.05Å; F21-F58 AromaticContact CE2-CE1 3.77Å; F21-F58 HydrophobicContact CE2-CE1 3.77Å; F21-F58 HydrophobicContact CG-CE1 4.26Å; V24-F58 HydrophobicContact CB-CD1 4.44Å; V24-F58 HydrophobicContact CB-CD2 4.49Å; V24-F58 HydrophobicContact CB-CE1 3.86Å; V24-F58 HydrophobicContact CB-CE2 4.01Å; V24-F58 HydrophobicContact CB-CZ 3.67Å; V24-F58 HydrophobicContact CG1-CD1 4.22Å; V24-F58 HydrophobicContact CG1-CD2 3.96Å; V24-F58 HydrophobicContact CG1-CE1 4.13Å; V24-F58 HydrophobicContact CG1-CE2 3.96Å; V24-F58 HydrophobicContact CG1-CG 4.16Å; V24-F58 HydrophobicContact CG1-CZ 4.04Å; V24-F58 HydrophobicContact CG2-CD2 4.35Å; V24-F58 HydrophobicContact CG2-CE1 4.09Å; V24-F58 HydrophobicContact CG2-CE2 3.53Å; V24-F58 HydrophobicContact CG2-CZ 3.36Å; I54-F58 WeakPolarHBondContact O-CB 3.46Å; I54-F58 PolarHBondContact O-N 3.4Å; E55-F58 PolarHBondContact O-N 2.82Å; D56-F58 VanDerWaalsContact C-N 3.33Å; D56-F58 PolarHBondContact O-N 2.69Å; F58-S61 PolarHBondContact O-N 3.36Å; F58-W64 HydrophobicContact CD2-CE3 4.07Å; F58-W64 AromaticContact CD2-CZ3 3.59Å; F58-W64 HydrophobicContact CD2-CZ3 3.59Å; F58-W64 HydrophobicContact CE2-CE3 4.08Å; F58-W64 HydrophobicContact CE2-CZ3 4Å; F58-W64 HydrophobicContact CG-CZ3 4.43Å
59V63.8Low67.5Low31 Ų3173.6 Ų73.619%0.18841%0.411CS..Hα-helixtrans-79.3-20.5-175.2171.50000112.5E55 D56 R107E55-V59 HydrophobicContact CG-CG2 4.39Å; E55-V59 VanDerWaalsContact O-CB 3.22Å; E55-V59 WeakPolarHBondContact O-CB 3.44Å; E55-V59 WeakPolarHBondContact O-CG2 3.19Å; E55-V59 PolarHBondContact O-N 3.23Å; D56-V59 PolarHBondContact O-N 2.94Å; V59-R107 HydrophobicContact CG1-CB 3.84Å; V59-R107 VanDerWaalsContact CG1-CD 3.42Å; V59-R107 HydrophobicContact CG1-CG 3.69Å; V59-R107 PolarHBondContact O-NH1 2.99Å
60N59.3Low66.6Low61 Ų6169 Ų6933%0.32639%0.392SS..Hα-helixtrans-89.8-19.5167.8-70.8-69.1000113.4D56 Q62 R107D56-N60 VanDerWaalsContact O-CB 3.22Å; D56-N60 WeakPolarHBondContact O-CB 3.31Å; D56-N60 PolarHBondContact O-N 3.35Å; D56-N60 PolarHBondContact O-ND2 3.46Å; D56-N60 PolarHBondContact OD1-ND2 2.75Å; N60-Q62 PolarHBondContact O-N 2.96Å; N60-R107 VanDerWaalsContact OD1-CZ 3.24Å; N60-R107 PolarHBondContact OD1-NH1 3.29Å; N60-R107 PolarHBondContact OD1-NH2 2.72Å
61S62.2Low65.9Low28 Ų2866 Ų6620%0.19638%0.379CS..  trans-69.894.5-179.9-173.30000112.7A57 F58 E63A57-S61 VanDerWaalsContact O-CB 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.48Å; A57-S61 PolarHBondContact O-N 2.92Å; F58-S61 PolarHBondContact O-N 3.36Å; S61-E63 PolarHBondContact O-N 3Å
62Q54.6Low65.6Low66 Ų6666.6 Ų66.631%0.30839%0.387SS..G310 helixtrans-62.4-30164.7-172.18572.400111.3N60 W64 T65N60-Q62 PolarHBondContact O-N 2.96Å; Q62-W64 VanDerWaalsContact C-N 3.3Å; Q62-W64 PolarHBondContact O-N 3.45Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-T65 PolarHBondContact O-OG1 3.07Å
63E50.4Low65.9Low148 Ų14863.9 Ų63.969%0.69237%0.371SS*.G310 helixtrans-80.1-7.4-159.5-54-164.5160.200114.6S61S61-E63 PolarHBondContact O-N 3Å
64W53.3Low66.4Low139 Ų13962.9 Ų62.953%0.52736%0.357SS..G310 helixtrans-99.93.3173.7-50.3-20.8000112.8R20 F58 Q62R20-W64 PolarHBondContact NH2-O 3.22Å; F58-W64 HydrophobicContact CD2-CE3 4.07Å; F58-W64 AromaticContact CD2-CZ3 3.59Å; F58-W64 HydrophobicContact CD2-CZ3 3.59Å; F58-W64 HydrophobicContact CE2-CE3 4.08Å; F58-W64 HydrophobicContact CE2-CZ3 4Å; F58-W64 HydrophobicContact CG-CZ3 4.43Å; Q62-W64 VanDerWaalsContact C-N 3.3Å; Q62-W64 PolarHBondContact O-N 3.45Å
65T53.5Low67Low36 Ų3657.6 Ų57.622%0.22133%0.33CS..SBendtrans-70.4162.4163.259.70000110.6E17 Q62 L120E17-T65 HydrophobicContact CG-CG2 4.13Å; E17-T65 WeakPolarHBondContact OE1-CG2 3.34Å; Q62-T65 PolarHBondContact O-N 3.28Å; Q62-T65 PolarHBondContact O-OG1 3.07Å; T65-L120 HydrophobicContact CG2-CD2 4.37Å
66L55.1Low67.9Low49 Ų4955.9 Ų55.926%0.25732%0.322SS..SBendtrans-54.6165.1-171.2-61.1153.4000114.2A13 I14 E17 V70A13-L66 HydrophobicContact CB-CD1 4.23Å; A13-L66 HydrophobicContact CB-CD2 4.16Å; A13-L66 WeakPolarHBondContact O-CD1 3.05Å; I14-L66 HydrophobicContact CG1-CD1 4.32Å; E17-L66 HydrophobicContact CB-CD1 3.73Å; E17-L66 HydrophobicContact CB-CD2 4.3Å; E17-L66 HydrophobicContact CB-CG 3.81Å; E17-L66 HydrophobicContact CG-CD1 4.43Å; E17-L66 HydrophobicContact CG-CG 4.35Å; L66-V70 HydrophobicContact CB-CB 4.45Å; L66-V70 HydrophobicContact CB-CG2 3.8Å; L66-V70 HydrophobicContact CD1-CG2 3.93Å
67S55.1Low69.2Low100 Ų10051.8 Ų51.870%0.69930%0.3SS*.PPolyproline II helixtrans-47.3147.817758.50000113.3G69 V70S67-G69 PolarHBondContact O-N 2.72Å; S67-V70 PolarHBondContact O-N 2.96Å
68N58Low70.4Confident140 Ų14049.1 Ų49.175%0.74928%0.278SS*.THydrogen-bonded Turntrans-52.1-2.2-167.2-85.8-69.2000118.2R243N68-R243 PolarHBondContact OD1-NH1 3.23Å
69G61.6Low71.5Confident63 Ų6348 Ų4865%0.64927%0.273SS*.THydrogen-bonded Turntrans-88.7-8.117600000115.7S67 P71S67-G69 PolarHBondContact O-N 2.72Å; G69-P71 WeakPolarHBondContact O-CD 3.12Å
70V67.5Low72.9Confident31 Ų3147.4 Ų47.419%0.18827%0.271CS..SBendtrans-81.4121.9178.2174.70000111.2I14 L66 S67 G72 L120I14-V70 HydrophobicContact CD1-CG1 3.93Å; I14-V70 HydrophobicContact CG1-CG1 3.63Å; I14-V70 HydrophobicContact CG1-CG2 4.41Å; L66-V70 HydrophobicContact CB-CB 4.45Å; L66-V70 HydrophobicContact CB-CG2 3.8Å; L66-V70 HydrophobicContact CD1-CG2 3.93Å; S67-V70 PolarHBondContact O-N 2.96Å; V70-G72 PolarHBondContact O-N 3.39Å; V70-L120 HydrophobicContact CG1-CB 4.11Å
71P75.4Confident74.3Confident42 Ų4246.6 Ų46.627%0.27327%0.268SS..  trans-79.1105.3-179.831.6-33.7000111.3G69 H119 L120G69-P71 WeakPolarHBondContact O-CD 3.12Å; P71-H119 WeakPolarHBondContact O-CA 3.35Å; P71-L120 PolarHBondContact O-N 3.31Å
72G79.8Confident75.5Confident25 Ų2550.4 Ų50.426%0.25828%0.282SS..EExtended strand (participates in β ladder)trans-86.7148.8173.800000113.4V70 L120 R234V70-G72 PolarHBondContact O-N 3.39Å; G72-L120 CarbonylContact C-O 3.6Å; G72-L120 VanDerWaalsContact CA-O 3.26Å; G72-L120 WeakPolarHBondContact CA-O 3.48Å; G72-R234 VanDerWaalsContact O-CZ 3.28Å; G72-R234 PolarHBondContact O-NH1 3.3Å; G72-R234 PolarHBondContact O-NH2 2.82Å
73I89.5Confident77.2Confident0 Ų047.2 Ų47.20%027%0.268CS..EExtended strand (participates in β ladder)trans-124.6127173-63.3174000107.7L112 H119 L120 L121 L122 C227 I230 L231I73-L112 HydrophobicContact CD1-CD2 4.18Å; I73-H119 HydrophobicContact CD1-CB 3.97Å; I73-H119 HydrophobicContact CG1-CB 4.43Å; I73-L120 PolarHBondContact N-O 3.22Å; I73-L121 HydrophobicContact CB-CD1 4.12Å; I73-L121 HydrophobicContact CG2-CD1 3.84Å; I73-L122 PolarHBondContact O-N 3.05Å; I73-C227 HydrophobicContact CD1-CB 4.32Å; I73-I230 HydrophobicContact CG2-CB 4.4Å; I73-I230 HydrophobicContact CG2-CD1 3.7Å; I73-I230 HydrophobicContact CG2-CG2 4.09Å; I73-L231 HydrophobicContact CD1-CD1 4.21Å; I73-L231 HydrophobicContact CD1-CD2 3.97Å; I73-L231 HydrophobicContact CD1-CG 4.05Å; I73-L231 HydrophobicContact CG1-CD2 4.3Å
74K90.9Very high79Confident49 Ų4940.9 Ų40.921%0.21324%0.242CC..EExtended strand (participates in β ladder)trans-108.9111.8-177.4-57.7173.5176.3-164.70111.5L122 W137 D139 G140K74-L122 HydrophobicContact CG-CD1 4.21Å; K74-W137 HydrophobicContact CB-CD2 4.24Å; K74-W137 HydrophobicContact CB-CE3 4.04Å; K74-W137 HydrophobicContact CB-CH2 3.81Å; K74-W137 HydrophobicContact CB-CZ2 4.01Å; K74-W137 HydrophobicContact CB-CZ3 3.82Å; K74-W137 HydrophobicContact CD-CD2 3.91Å; K74-W137 HydrophobicContact CD-CG 4.16Å; K74-W137 HydrophobicContact CD-CZ2 4.13Å; K74-W137 WeakPolarHBondContact CD-O 3.21Å; K74-W137 HydrophobicContact CG-CD2 4.37Å; K74-W137 HydrophobicContact CG-CH2 4.16Å; K74-W137 HydrophobicContact CG-CZ2 3.85Å; K74-D139 HydrophobicContact CB-CB 4.38Å; K74-D139 WeakPolarHBondContact CB-OD2 3.39Å; K74-D139 WeakPolarHBondContact CG-OD2 3.41Å; K74-D139 PolarHBondContact N-OD2 2.83Å; K74-D139 WeakPolarHBondContact O-CA 3.43Å; K74-D139 WeakPolarHBondContact O-CB 3.28Å; K74-D139 PolarHBondContact O-N 3.35Å; K74-G140 PolarHBondContact O-N 2.78Å
75L94.1Very high80.9Confident0 Ų034.3 Ų34.30%022%0.217CC..EExtended strand (participates in β ladder)trans-114.4120.1-175.6-175.362000110.4L121 L122 I123 R124 I142 F223 A226 I230L75-L121 HydrophobicContact CB-CD1 3.93Å; L75-L121 HydrophobicContact CD2-CD1 4.36Å; L75-L122 PolarHBondContact N-O 3.44Å; L75-I123 WeakPolarHBondContact O-CA 3.35Å; L75-R124 PolarHBondContact O-N 2.83Å; L75-I142 HydrophobicContact CD1-CD1 4.12Å; L75-I142 HydrophobicContact CD1-CG1 4.15Å; L75-I142 HydrophobicContact CD2-CD1 3.94Å; L75-I142 HydrophobicContact CG-CD1 4.26Å; L75-F223 HydrophobicContact CD2-CD1 3.51Å; L75-F223 HydrophobicContact CD2-CE1 3.86Å; L75-A226 HydrophobicContact CD1-CB 3.86Å; L75-A226 HydrophobicContact CD2-CB 4.27Å; L75-I230 HydrophobicContact CD1-CD1 4.31Å
76G93.8Very high82.7Confident0 Ų033 Ų330%021%0.209CC..EExtended strand (participates in β ladder)trans-95.5144.6173.900000112.3R124 G140 V141 I142G76-R124 CarbonylContact C-O 3.6Å; G76-R124 WeakPolarHBondContact CA-O 3.37Å; G76-G140 PolarHBondContact N-O 3.32Å; G76-V141 WeakPolarHBondContact O-CA 3.18Å; G76-I142 PolarHBondContact O-N 3.09Å
77L95.5Very high84.3Confident0 Ų030.8 Ų30.80%020%0.199CC..EExtended strand (participates in β ladder)trans-115.2136.4165.4-67.594.7000110.3V89 I123 R124 E126 I142 V144 F223L77-V89 HydrophobicContact CD1-CG2 3.67Å; L77-V89 HydrophobicContact CD2-CG2 3.56Å; L77-V89 HydrophobicContact CG-CG2 4.2Å; L77-I123 HydrophobicContact CD1-CG2 3.35Å; L77-R124 PolarHBondContact N-O 3.38Å; L77-E126 PolarHBondContact O-N 2.75Å; L77-I142 WeakPolarHBondContact CA-O 3.08Å; L77-I142 HydrophobicContact CD2-CB 4.46Å; L77-I142 HydrophobicContact CG-CB 4.26Å; L77-V144 HydrophobicContact CD2-CG2 4.11Å; L77-F223 HydrophobicContact CD1-CE1 4.31Å; L77-F223 HydrophobicContact CD2-CZ 4.17Å
78L95.2Very high86.1Confident0 Ų026 Ų260%017%0.165CC..EExtended strand (participates in β ladder)trans-131132.2-178.6-71.5-174.8000110.6E126 P130 F134 V141 I142 F143 V144 Y159 L163L78-E126 HydrophobicContact CD2-CB 3.96Å; L78-E126 HydrophobicContact CD2-CG 4.03Å; L78-P130 HydrophobicContact CD1-CB 4Å; L78-P130 HydrophobicContact CD1-CG 3.86Å; L78-P130 HydrophobicContact CD2-CB 4.09Å; L78-P130 HydrophobicContact CD2-CG 4.38Å; L78-F134 HydrophobicContact CD1-CE1 3.84Å; L78-F134 HydrophobicContact CD1-CZ 4.21Å; L78-F134 HydrophobicContact CD2-CD1 4.46Å; L78-F134 HydrophobicContact CD2-CE1 3.79Å; L78-F134 HydrophobicContact CD2-CE2 4.19Å; L78-F134 HydrophobicContact CD2-CZ 3.62Å; L78-F134 HydrophobicContact CG-CE1 3.86Å; L78-F134 HydrophobicContact CG-CZ 3.7Å; L78-V141 HydrophobicContact CB-CG1 4.4Å; L78-V141 HydrophobicContact CD1-CG1 3.94Å; L78-V141 HydrophobicContact CG-CG1 4.08Å; L78-I142 PolarHBondContact N-O 2.61Å; L78-F143 HydrophobicContact CB-CD1 3.76Å; L78-F143 HydrophobicContact CB-CE1 3.78Å; L78-F143 HydrophobicContact CD1-CD1 4.39Å; L78-F143 HydrophobicContact CD1-CE1 3.57Å; L78-F143 HydrophobicContact CD1-CZ 3.79Å; L78-F143 HydrophobicContact CG-CE1 4.33Å; L78-F143 CarbonylContact O-C 3.48Å; L78-F143 VanDerWaalsContact O-CA 3.31Å; L78-F143 WeakPolarHBondContact O-CA 3.46Å; L78-V144 PolarHBondContact O-N 2.96Å; L78-Y159 HydrophobicContact CB-CD2 4.2Å; L78-Y159 HydrophobicContact CD2-CD2 4.46Å; L78-L163 HydrophobicContact CD1-CD2 4.35Å
79G93.4Very high87.7Confident0 Ų019.4 Ų19.40%013%0.13CC..  trans176.4174.2175.800000111.1V144 Y159G79-V144 WeakPolarHBondContact CA-O 3.23Å; G79-Y159 WeakPolarHBondContact O-CE2 3.5Å
80S91.8Very high88.8Confident18 Ų1818.2 Ų18.213%0.12611%0.107CC..  trans-65.9159.3168.260.40000111Q82 S83 S152S80-Q82 PolarHBondContact O-N 2.92Å; S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 3.2Å; S80-S83 PolarHBondContact O-OG 2.75Å; S80-S152 WeakPolarHBondContact OG-CA 3.35Å; S80-S152 WeakPolarHBondContact OG-CB 3.45Å
81V89.1Confident89.9Confident44 Ų4419.4 Ų19.427%0.26711%0.108SC..G310 helixtrans-52.1-43.9173.8-175.50000111.7S83 E101 P103V81-S83 PolarHBondContact O-N 3.25Å; V81-S83 VanDerWaalsContact O-N 3.14Å; V81-E101 HydrophobicContact CG1-CB 4.05Å; V81-P103 HydrophobicContact CG1-CB 4.28Å; V81-P103 HydrophobicContact CG2-CB 4.35Å
82Q87.1Confident90.6Very high108 Ų10817.7 Ų17.751%0.50510%0.096SC..G310 helixtrans-79.518.3179.3-63.8174-1500115.1S80 N149S80-Q82 PolarHBondContact O-N 2.92Å; Q82-N149 PolarHBondContact OE1-ND2 2.74Å
83S90.9Very high91.1Very high0 Ų017.6 Ų17.60%09%0.09CC..G310 helixtrans-85.2-6.8179.760.10000114.2S80 V81 K85 V144 T179S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 3.2Å; S80-S83 PolarHBondContact O-OG 2.75Å; V81-S83 PolarHBondContact O-N 3.25Å; V81-S83 VanDerWaalsContact O-N 3.14Å; S83-K85 PolarHBondContact O-N 3.17Å; S83-K85 WeakPolarHBondContact OG-CB 3.36Å; S83-K85 WeakPolarHBondContact OG-CG 3.38Å; S83-K85 PolarHBondContact OG-N 2.96Å; S83-V144 VanDerWaalsContact CB-O 3.26Å; S83-V144 WeakPolarHBondContact CB-O 3.49Å; S83-V144 WeakPolarHBondContact O-CG1 3.5Å; S83-T179 WeakPolarHBondContact O-CG2 3.33Å; S83-T179 PolarHBondContact O-OG1 2.66Å
84G89.1Confident90.7Very high15 Ų1519 Ų1916%0.15510%0.099CC..SBendtrans74.35-168.600000114.2S86 A87 L88G84-S86 VanDerWaalsContact C-N 3.26Å; G84-S86 PolarHBondContact O-N 3.4Å; G84-A87 PolarHBondContact O-N 2.86Å; G84-L88 WeakPolarHBondContact O-CB 3.4Å; G84-L88 PolarHBondContact O-N 3.3Å
85K92.2Very high90.3Very high0 Ų019 Ų190%011%0.112CC..Hα-helixtrans-48.8-42.8179.764.9-175.4-172.961.30113.7S83 V89 S102 D125 E126 V144S83-K85 PolarHBondContact O-N 3.17Å; S83-K85 WeakPolarHBondContact OG-CB 3.36Å; S83-K85 WeakPolarHBondContact OG-CG 3.38Å; S83-K85 PolarHBondContact OG-N 2.96Å; K85-V89 WeakPolarHBondContact O-CG2 3.31Å; K85-V89 PolarHBondContact O-N 3.14Å; K85-V89 VanDerWaalsContact O-N 3.08Å; K85-S102 PolarHBondContact NZ-O 3.47Å; K85-D125 VanDerWaalsContact CD-OD1 3.23Å; K85-D125 WeakPolarHBondContact CD-OD1 3.25Å; K85-D125 WeakPolarHBondContact CE-OD1 3.38Å; K85-D125 WeakPolarHBondContact CG-OD1 3.32Å; K85-D125 IonicContact NZ-OD1 3.23Å; K85-D125 PolarHBondContact NZ-OD1 2.7Å; K85-D125 IonicContact NZ-OD2 2.82Å; K85-D125 PolarHBondContact NZ-OD2 2.94Å; K85-E126 WeakPolarHBondContact CE-O 3.47Å; K85-E126 PolarHBondContact NZ-O 2.89Å; K85-V144 HydrophobicContact CB-CB 4.11Å; K85-V144 HydrophobicContact CB-CG1 4.36Å; K85-V144 HydrophobicContact CB-CG2 4.16Å
86S90.7Very high89.5Confident8 Ų820.7 Ų20.76%0.05613%0.126CC..Hα-helixtrans-79.2-42.3-174.2-50.70000111G84 L88 V89 H90 S102 D125G84-S86 VanDerWaalsContact C-N 3.26Å; G84-S86 PolarHBondContact O-N 3.4Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.43Å; S86-V89 PolarHBondContact O-N 3.04Å; S86-H90 WeakPolarHBondContact O-CB 3.39Å; S86-H90 PolarHBondContact O-N 3.06Å; S86-S102 WeakPolarHBondContact CB-OG 3.29Å; S86-S102 WeakPolarHBondContact OG-CB 3.46Å; S86-D125 WeakPolarHBondContact CB-OD2 3.44Å; S86-D125 PolarHBondContact OG-OD2 2.9Å
87A89.6Confident88.8Confident4 Ų423.3 Ų23.33%0.03314%0.137CC..Hα-helixtrans-58-38.3168.400000113.1G84 H90 R91 Y97 V98 D100 A213G84-A87 PolarHBondContact O-N 2.86Å; A87-H90 PolarHBondContact O-N 3.45Å; A87-R91 WeakPolarHBondContact O-CB 3.15Å; A87-R91 PolarHBondContact O-N 3.33Å; A87-Y97 HydrophobicContact CB-CE2 4.38Å; A87-V98 WeakPolarHBondContact CB-O 3.49Å; A87-D100 PolarHBondContact N-O 2.9Å; A87-A213 HydrophobicContact CB-CB 4.26Å
88L92.4Very high87.8Confident0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-64.9-43175.6-179.667000112G84 S86 Y92 V144 V177 T211 V219 F223G84-L88 WeakPolarHBondContact O-CB 3.4Å; G84-L88 PolarHBondContact O-N 3.3Å; S86-L88 VanDerWaalsContact C-N 3.31Å; S86-L88 PolarHBondContact O-N 3.43Å; L88-Y92 PolarHBondContact O-N 3.17Å; L88-Y92 VanDerWaalsContact O-N 3.11Å; L88-V144 HydrophobicContact CD2-CG1 4.26Å; L88-V144 HydrophobicContact CD2-CG2 4.15Å; L88-V177 HydrophobicContact CD2-CG1 3.97Å; L88-T211 HydrophobicContact CD1-CG2 4.3Å; L88-V219 HydrophobicContact CD1-CB 4.26Å; L88-V219 HydrophobicContact CD1-CG1 3.92Å; L88-V219 HydrophobicContact CD1-CG2 3.78Å; L88-F223 HydrophobicContact CG-CE2 4.27Å
89V91.8Very high87Confident0 Ų031.5 Ų31.50%018%0.178CC..Hα-helixtrans-66.2-46.7173.7172.90000110.9L77 K85 S86 R91 Y92 L93 F108 I123 F223L77-V89 HydrophobicContact CD1-CG2 3.67Å; L77-V89 HydrophobicContact CD2-CG2 3.56Å; L77-V89 HydrophobicContact CG-CG2 4.2Å; K85-V89 WeakPolarHBondContact O-CG2 3.31Å; K85-V89 PolarHBondContact O-N 3.14Å; K85-V89 VanDerWaalsContact O-N 3.08Å; S86-V89 PolarHBondContact O-N 3.04Å; V89-R91 VanDerWaalsContact C-N 3.29Å; V89-R91 PolarHBondContact O-N 2.69Å; V89-Y92 PolarHBondContact O-N 3.03Å; V89-Y92 VanDerWaalsContact O-N 3.13Å; V89-L93 HydrophobicContact CG1-CD1 3.64Å; V89-L93 HydrophobicContact CG1-CG 4.18Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 2.96Å; V89-F108 HydrophobicContact CG1-CD2 3.64Å; V89-F108 HydrophobicContact CG1-CE2 3.6Å; V89-F108 HydrophobicContact CG1-CG 4.3Å; V89-F108 HydrophobicContact CG1-CZ 4.22Å; V89-I123 HydrophobicContact CG1-CG2 4.37Å; V89-I123 HydrophobicContact CG2-CG2 4.41Å; V89-F223 HydrophobicContact CG2-CZ 4.08Å
90H85.7Confident85.8Confident39 Ų3934.1 Ų34.118%0.18119%0.192CC..Hα-helixtrans-55.4-45.6176.4-174.5-76.4000111.1S86 A87 Y92 L93 T94 A96 V98 D100S86-H90 WeakPolarHBondContact O-CB 3.39Å; S86-H90 PolarHBondContact O-N 3.06Å; A87-H90 PolarHBondContact O-N 3.45Å; H90-Y92 PolarHBondContact O-N 2.88Å; H90-L93 PolarHBondContact O-N 2.86Å; H90-T94 PolarHBondContact CE1-OG1 3.36Å; H90-T94 PolarHBondContact ND1-OG1 2.97Å; H90-T94 VanDerWaalsContact ND1-OG1 3.15Å; H90-T94 WeakPolarHBondContact O-CB 3.09Å; H90-T94 PolarHBondContact O-N 2.91Å; H90-T94 PolarHBondContact O-OG1 2.96Å; H90-A96 PolarHBondContact ND1-O 3.2Å; H90-V98 VanDerWaalsContact CE1-CG2 3.49Å; H90-V98 WeakPolarHBondContact CE1-CG2 3.39Å; H90-D100 IonicContact CD2-OD2 2.78Å; H90-D100 PolarHBondContact CD2-OD2 3.4Å; H90-D100 IonicContact CG-OD2 3.16Å
91R89.3Confident84.7Confident56 Ų5637.7 Ų37.721%0.21121%0.207CC..Hα-helixtrans-63.9-38.3178.1-174.463.3-173.6-121.415.8112.8A87 V89 G95 A96 A213 A214 V219A87-R91 WeakPolarHBondContact O-CB 3.15Å; A87-R91 PolarHBondContact O-N 3.33Å; V89-R91 VanDerWaalsContact C-N 3.29Å; V89-R91 PolarHBondContact O-N 2.69Å; R91-G95 WeakPolarHBondContact CD-O 3.46Å; R91-G95 VanDerWaalsContact CZ-O 3.26Å; R91-G95 PolarHBondContact NE-O 2.89Å; R91-G95 PolarHBondContact NH2-O 3.15Å; R91-G95 VanDerWaalsContact O-CA 3.28Å; R91-G95 WeakPolarHBondContact O-CA 3.38Å; R91-G95 PolarHBondContact O-N 3.05Å; R91-A96 WeakPolarHBondContact CA-O 3.48Å; R91-A96 VanDerWaalsContact CD-C 3.44Å; R91-A96 WeakPolarHBondContact CD-O 3.35Å; R91-A213 HydrophobicContact CB-CB 4.09Å; R91-A213 VanDerWaalsContact CD-O 3.27Å; R91-A213 WeakPolarHBondContact CD-O 3.43Å; R91-A213 WeakPolarHBondContact CG-O 3.19Å; R91-A213 PolarHBondContact NH1-O 2.85Å; R91-A214 PolarHBondContact NH1-O 2.79Å; R91-V219 HydrophobicContact CB-CG1 4.35Å; R91-V219 HydrophobicContact CG-CG1 4.23Å; R91-V219 HydrophobicContact CG-CG2 4.18Å
92Y91.9Very high83.9Confident5 Ų537.4 Ų37.42%0.0221%0.206CC..Hα-helixtrans-71.1-32.3175.8176-113.8000113.5L88 V89 H90 K110 L121 I123 E220 F223L88-Y92 PolarHBondContact O-N 3.17Å; L88-Y92 VanDerWaalsContact O-N 3.11Å; V89-Y92 PolarHBondContact O-N 3.03Å; V89-Y92 VanDerWaalsContact O-N 3.13Å; H90-Y92 PolarHBondContact O-N 2.88Å; Y92-K110 HydrophobicContact CD1-CD 4.27Å; Y92-K110 HydrophobicContact CE1-CD 3.6Å; Y92-K110 VanDerWaalsContact CZ-NZ 3.25Å; Y92-K110 PolarHBondContact O-NZ 3.2Å; Y92-L121 HydrophobicContact CE1-CD2 3.84Å; Y92-I123 HydrophobicContact CD1-CD1 3.95Å; Y92-I123 HydrophobicContact CE1-CD1 3.9Å; Y92-E220 VanDerWaalsContact CD2-OE2 3.29Å; Y92-E220 WeakPolarHBondContact CD2-OE2 3.38Å; Y92-E220 WeakPolarHBondContact CE2-OE2 3.36Å; Y92-F223 VanDerWaalsContact CB-CE2 3.49Å; Y92-F223 HydrophobicContact CD1-CB 4.13Å; Y92-F223 AromaticContact CD1-CD1 3.49Å; Y92-F223 HydrophobicContact CD1-CD1 3.49Å; Y92-F223 VanDerWaalsContact CD1-CD1 3.49Å; Y92-F223 AromaticContact CD1-CD2 3.77Å; Y92-F223 HydrophobicContact CD1-CD2 3.77Å; Y92-F223 AromaticContact CD1-CE1 3.73Å; Y92-F223 HydrophobicContact CD1-CE1 3.73Å; Y92-F223 AromaticContact CD1-CE2 3.99Å; Y92-F223 HydrophobicContact CD1-CE2 3.99Å; Y92-F223 AromaticContact CD1-CG 3.52Å; Y92-F223 HydrophobicContact CD1-CG 3.52Å; Y92-F223 AromaticContact CD1-CZ 3.97Å; Y92-F223 HydrophobicContact CD1-CZ 3.97Å; Y92-F223 HydrophobicContact CD2-CB 3.77Å; Y92-F223 AromaticContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CE2 4.35Å; Y92-F223 AromaticContact CD2-CG 3.73Å; Y92-F223 HydrophobicContact CD2-CG 3.73Å; Y92-F223 HydrophobicContact CE1-CB 3.8Å; Y92-F223 AromaticContact CE1-CD1 3.53Å; Y92-F223 HydrophobicContact CE1-CD1 3.53Å; Y92-F223 HydrophobicContact CE1-CD2 4.31Å; Y92-F223 HydrophobicContact CE1-CE1 4.17Å; Y92-F223 AromaticContact CE1-CG 3.63Å; Y92-F223 HydrophobicContact CE1-CG 3.63Å; Y92-F223 HydrophobicContact CE2-CB 3.4Å; Y92-F223 VanDerWaalsContact CE2-CB 3.4Å; Y92-F223 HydrophobicContact CE2-CD2 4.19Å; Y92-F223 AromaticContact CE2-CG 3.84Å; Y92-F223 HydrophobicContact CE2-CG 3.84Å; Y92-F223 HydrophobicContact CG-CB 4.11Å; Y92-F223 HydrophobicContact CG-CD1 4.02Å; Y92-F223 AromaticContact CG-CD2 3.37Å; Y92-F223 HydrophobicContact CG-CD2 3.37Å; Y92-F223 HydrophobicContact CG-CE1 4.29Å; Y92-F223 AromaticContact CG-CE2 3.68Å; Y92-F223 HydrophobicContact CG-CE2 3.68Å; Y92-F223 AromaticContact CG-CG 3.57Å; Y92-F223 HydrophobicContact CG-CG 3.57Å; Y92-F223 HydrophobicContact CG-CZ 4.13Å; Y92-F223 VanDerWaalsContact CZ-CB 3.41Å; Y92-F223 AromaticContact CZ-CG 3.78Å
93L88.5Confident83Confident23 Ų2336.6 Ų36.612%0.1221%0.21CC..Hα-helixtrans-79.2-46179.5-68.9173.4000112.5V89 H90 F108 K110 I123 F730V89-L93 HydrophobicContact CG1-CD1 3.64Å; V89-L93 HydrophobicContact CG1-CG 4.18Å; V89-L93 WeakPolarHBondContact O-CG 3.35Å; V89-L93 PolarHBondContact O-N 2.96Å; H90-L93 PolarHBondContact O-N 2.86Å; L93-F108 HydrophobicContact CD1-CB 3.63Å; L93-F108 HydrophobicContact CD1-CD1 3.4Å; L93-F108 VanDerWaalsContact CD1-CD1 3.4Å; L93-F108 HydrophobicContact CD1-CD2 4.08Å; L93-F108 HydrophobicContact CD1-CE1 4.04Å; L93-F108 HydrophobicContact CD1-CG 3.42Å; L93-F108 VanDerWaalsContact CD1-CG 3.42Å; L93-F108 HydrophobicContact CD2-CB 4.25Å; L93-K110 HydrophobicContact CD2-CB 4.19Å; L93-K110 HydrophobicContact CD2-CD 4.23Å; L93-I123 HydrophobicContact CD2-CD1 4.05Å; L93-F730 HydrophobicContact CB-CE2 4.42Å
94T82.1Confident81.8Confident31 Ų3145.3 Ų45.319%0.1925%0.251CS..Hα-helixtrans-104.4-18.7-168.567.50000114.5H90 A96H90-T94 PolarHBondContact CE1-OG1 3.36Å; H90-T94 PolarHBondContact ND1-OG1 2.97Å; H90-T94 VanDerWaalsContact ND1-OG1 3.15Å; H90-T94 WeakPolarHBondContact O-CB 3.09Å; H90-T94 PolarHBondContact O-N 2.91Å; H90-T94 PolarHBondContact O-OG1 2.96Å; T94-A96 PolarHBondContact O-N 2.9Å; T94-A96 PolarHBondContact OG1-N 3.38Å; T94-A96 PolarHBondContact OG1-O 3.47Å
95G82.5Confident81.3Confident48 Ų4845.3 Ų45.350%0.49525%0.251SS..SBendtrans76.1-6-167.900000114.7R91R91-G95 WeakPolarHBondContact CD-O 3.46Å; R91-G95 VanDerWaalsContact CZ-O 3.26Å; R91-G95 PolarHBondContact NE-O 2.89Å; R91-G95 PolarHBondContact NH2-O 3.15Å; R91-G95 VanDerWaalsContact O-CA 3.28Å; R91-G95 WeakPolarHBondContact O-CA 3.38Å; R91-G95 PolarHBondContact O-N 3.05Å
96A77.4Confident80.6Confident35 Ų3546.3 Ų46.329%0.28926%0.262SS..  trans-105.3147.6-179.300000112.5H90 R91 T94 M751H90-A96 PolarHBondContact ND1-O 3.2Å; R91-A96 WeakPolarHBondContact CA-O 3.48Å; R91-A96 VanDerWaalsContact CD-C 3.44Å; R91-A96 WeakPolarHBondContact CD-O 3.35Å; T94-A96 PolarHBondContact O-N 2.9Å; T94-A96 PolarHBondContact OG1-N 3.38Å; T94-A96 PolarHBondContact OG1-O 3.47Å; A96-M751 HydrophobicContact CB-CE 4.33Å
97Y79.7Confident80Confident56 Ų5648.6 Ų48.622%0.2227%0.269CS..  trans-88.9131.4170.9175.2-110.2000110.7A87 H99 D181 A213 A214A87-Y97 HydrophobicContact CB-CE2 4.38Å; Y97-H99 HydrophobicContact CE1-CB 4.48Å; Y97-H99 PolarHBondContact OH-CD2 3.21Å; Y97-D181 HydrophobicContact CE2-CB 4.36Å; Y97-D181 PolarHBondContact OH-O 2.93Å; Y97-A213 WeakPolarHBondContact CB-O 3.09Å; Y97-A213 VanDerWaalsContact CD2-C 3.4Å; Y97-A213 HydrophobicContact CD2-CB 3.71Å; Y97-A213 HydrophobicContact CE2-CB 4.02Å; Y97-A214 HydrophobicContact CD1-CB 4.19Å; Y97-A214 HydrophobicContact CD2-CB 4.14Å; Y97-A214 HydrophobicContact CE1-CB 4.25Å; Y97-A214 HydrophobicContact CE2-CB 4.17Å; Y97-A214 HydrophobicContact CG-CB 4.12Å
98V74.2Confident79.7Confident50 Ų5051.8 Ų51.830%0.30328%0.282SS..  trans-133.1142163.7-175.80000106.1A87 H90 D100 M751A87-V98 WeakPolarHBondContact CB-O 3.49Å; H90-V98 VanDerWaalsContact CE1-CG2 3.49Å; H90-V98 WeakPolarHBondContact CE1-CG2 3.39Å; V98-D100 WeakPolarHBondContact CB-OD2 3.35Å; V98-D100 VanDerWaalsContact CG1-OD1 3.25Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.29Å; V98-D100 PolarHBondContact O-N 2.76Å; V98-M751 HydrophobicContact CG2-CE 4.34Å
99H77.1Confident79.3Confident121 Ų12152.9 Ų52.956%0.5629%0.287SS*.  trans-79.465.7177.4-171.1-60.1000110Y97 E101Y97-H99 HydrophobicContact CE1-CB 4.48Å; Y97-H99 PolarHBondContact OH-CD2 3.21Å; H99-E101 IonicContact CE1-OE1 3.58Å
100D68.1Low78.8Confident55 Ų5553.9 Ų53.929%0.29429%0.291SS..  trans-86.3116.6-177.9-70.4-35.5000111.8A87 H90 V98A87-D100 PolarHBondContact N-O 2.9Å; H90-D100 IonicContact CD2-OD2 2.78Å; H90-D100 PolarHBondContact CD2-OD2 3.4Å; H90-D100 IonicContact CG-OD2 3.16Å; V98-D100 WeakPolarHBondContact CB-OD2 3.35Å; V98-D100 VanDerWaalsContact CG1-OD1 3.25Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.29Å; V98-D100 PolarHBondContact O-N 2.76Å
101E68.9Low78.8Confident94 Ų9452.1 Ų52.144%0.43928%0.283SS..  trans-105.397.8162.1-73.4-169.4-167.900108.5V81 H99 P103V81-E101 HydrophobicContact CG1-CB 4.05Å; H99-E101 IonicContact CE1-OE1 3.58Å; E101-P103 WeakPolarHBondContact O-CD 3.49Å
102S72Confident78.6Confident37 Ų3750 Ų5026%0.25928%0.276SS..  trans-94.3101.8179.3-49.30000110.4K85 S86 E104 G105K85-S102 PolarHBondContact NZ-O 3.47Å; S86-S102 WeakPolarHBondContact CB-OG 3.29Å; S86-S102 WeakPolarHBondContact OG-CB 3.46Å; S102-E104 VanDerWaalsContact C-N 3.28Å; S102-E104 PolarHBondContact O-N 3.03Å; S102-G105 PolarHBondContact O-N 2.91Å
103P69.4Low78.1Confident91 Ų9153.2 Ų53.259%0.59130%0.299SS*.THydrogen-bonded Turntrans-71.8-21.7-17630.3-36.9000113.4V81 E101 G127V81-P103 HydrophobicContact CG1-CB 4.28Å; V81-P103 HydrophobicContact CG2-CB 4.35Å; E101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-G127 VanDerWaalsContact O-CA 3.32Å; P103-G127 WeakPolarHBondContact O-CA 3.34Å
104E65.4Low77.6Confident184 Ų18453.1 Ų53.186%0.8630%0.298SS*.THydrogen-bonded Turntrans-90.4-13.7175.8-66.8168.7174.800111.9S102S102-E104 VanDerWaalsContact C-N 3.28Å; S102-E104 PolarHBondContact O-N 3.03Å
105G77.4Confident77.1Confident15 Ų1558 Ų5816%0.15532%0.324CS..EExtended strand (participates in β ladder)trans83.7-147.4-171.800000112.4S102 D125S102-G105 PolarHBondContact O-N 2.91Å; G105-D125 CarbonylContact C-O 3.53Å; G105-D125 VanDerWaalsContact CA-O 3.24Å; G105-D125 WeakPolarHBondContact CA-O 3.41Å
106G77.9Confident76.5Confident21 Ų2163.1 Ų63.122%0.21634%0.339CS..EExtended strand (participates in β ladder)trans177.915817900000113.3F108 D125G106-F108 VanDerWaalsContact C-CE2 3.47Å; G106-D125 PolarHBondContact N-O 3.21Å; G106-D125 PolarHBondContact O-N 2.75Å
107R79.5Confident76.3Confident56 Ų5666.3 Ų66.321%0.21135%0.348CS..EExtended strand (participates in β ladder)trans-128.3132.9177.6-53.9-155.5-1611651.5111.8V59 N60 I123 R124V59-R107 HydrophobicContact CG1-CB 3.84Å; V59-R107 VanDerWaalsContact CG1-CD 3.42Å; V59-R107 HydrophobicContact CG1-CG 3.69Å; V59-R107 PolarHBondContact O-NH1 2.99Å; N60-R107 VanDerWaalsContact OD1-CZ 3.24Å; N60-R107 PolarHBondContact OD1-NH1 3.29Å; N60-R107 PolarHBondContact OD1-NH2 2.72Å; R107-I123 WeakPolarHBondContact CA-O 3.41Å; R107-R124 HydrophobicContact CG-CG 4.19Å
108F83.2Confident76.3Confident70 Ų7064.3 Ų64.331%0.30734%0.342SS..EExtended strand (participates in β ladder)trans-137.3156.2-168.8-44.5-87.2000110.3V89 L93 G106 I123 D125V89-F108 HydrophobicContact CG1-CD2 3.64Å; V89-F108 HydrophobicContact CG1-CE2 3.6Å; V89-F108 HydrophobicContact CG1-CG 4.3Å; V89-F108 HydrophobicContact CG1-CZ 4.22Å; L93-F108 HydrophobicContact CD1-CB 3.63Å; L93-F108 HydrophobicContact CD1-CD1 3.4Å; L93-F108 VanDerWaalsContact CD1-CD1 3.4Å; L93-F108 HydrophobicContact CD1-CD2 4.08Å; L93-F108 HydrophobicContact CD1-CE1 4.04Å; L93-F108 HydrophobicContact CD1-CG 3.42Å; L93-F108 VanDerWaalsContact CD1-CG 3.42Å; L93-F108 HydrophobicContact CD2-CB 4.25Å; G106-F108 VanDerWaalsContact C-CE2 3.47Å; F108-I123 HydrophobicContact CB-CB 4.28Å; F108-I123 HydrophobicContact CD2-CB 4.39Å; F108-I123 HydrophobicContact CD2-CG2 4.45Å; F108-I123 PolarHBondContact N-O 3.43Å; F108-I123 PolarHBondContact O-N 3.32Å; F108-D125 HydrophobicContact CE2-CB 4.3Å
109K82.7Confident76.8Confident24 Ų2462.5 Ų62.510%0.10433%0.331CS..EExtended strand (participates in β ladder)trans-125.7141.8172.1-50.3-178174166.10108E17 I18 F21 L120 L121 L122E17-K109 IonicContact OE1-NZ 2.75Å; E17-K109 PolarHBondContact OE1-NZ 2.94Å; I18-K109 HydrophobicContact CB-CB 4.22Å; I18-K109 HydrophobicContact CD1-CB 3.55Å; I18-K109 HydrophobicContact CG1-CB 3.55Å; I18-K109 HydrophobicContact CG1-CD 4.15Å; I18-K109 HydrophobicContact CG1-CG 4.48Å; I18-K109 HydrophobicContact CG2-CB 3.73Å; I18-K109 HydrophobicContact CG2-CD 4.5Å; F21-K109 HydrophobicContact CB-CD 4.06Å; F21-K109 HydrophobicContact CD1-CD 3.95Å; F21-K109 HydrophobicContact CD1-CG 4.1Å; F21-K109 HydrophobicContact CD2-CD 4.22Å; F21-K109 VanDerWaalsContact CD2-CE 3.45Å; F21-K109 HydrophobicContact CE1-CD 4.48Å; F21-K109 HydrophobicContact CE1-CG 4.27Å; F21-K109 HydrophobicContact CG-CD 3.81Å; F21-K109 HydrophobicContact CG-CG 4.45Å; K109-L120 HydrophobicContact CB-CD1 4.26Å; K109-L121 CarbonylContact C-O 3.2Å; K109-L121 VanDerWaalsContact CA-O 3.27Å; K109-L121 WeakPolarHBondContact CA-O 3.31Å; K109-L122 HydrophobicContact CB-CD2 4.22Å; K109-L122 HydrophobicContact CD-CD2 3.97Å; K109-L122 HydrophobicContact CG-CD2 3.65Å
110K82.7Confident77.1Confident21 Ų2157 Ų579%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-136.9145.9173.7-167.1179177.6179.50109.4Y92 L93 L121 E220 L728Y92-K110 HydrophobicContact CD1-CD 4.27Å; Y92-K110 HydrophobicContact CE1-CD 3.6Å; Y92-K110 VanDerWaalsContact CZ-NZ 3.25Å; Y92-K110 PolarHBondContact O-NZ 3.2Å; L93-K110 HydrophobicContact CD2-CB 4.19Å; L93-K110 HydrophobicContact CD2-CD 4.23Å; K110-L121 HydrophobicContact CB-CB 4.44Å; K110-L121 PolarHBondContact N-O 3.25Å; K110-L121 PolarHBondContact O-N 2.82Å; K110-E220 IonicContact NZ-OE2 2.74Å; K110-L728 HydrophobicContact CG-CD2 4.09Å
111E84.5Confident78.1Confident2 Ų254.4 Ų54.41%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-80.4129.4165.9-178.9169.6-163.100108.7S11 I14 R15 S118S11-E111 WeakPolarHBondContact CB-OE1 3.33Å; S11-E111 PolarHBondContact OG-OE1 3.31Å; I14-E111 HydrophobicContact CG2-CB 4.15Å; I14-E111 HydrophobicContact CG2-CG 3.95Å; R15-E111 VanDerWaalsContact CD-OE2 3.23Å; R15-E111 WeakPolarHBondContact CD-OE2 3.46Å; R15-E111 WeakPolarHBondContact CG-OE2 3.4Å; R15-E111 IonicContact NE-OE1 3.98Å; R15-E111 IonicContact NE-OE2 2.82Å; E111-S118 PolarHBondContact OE1-OG 3.19Å
112L85.5Confident79Confident12 Ų1250.6 Ų50.66%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-125.7114.6-176.8-179.969.3000110I73 L114 H119 L121 C227I73-L112 HydrophobicContact CD1-CD2 4.18Å; L112-L114 HydrophobicContact CD2-CD1 3.78Å; L112-L114 HydrophobicContact CD2-CG 4.15Å; L112-L114 HydrophobicContact CG-CD1 4.25Å; L112-L114 HydrophobicContact CG-CG 4.06Å; L112-H119 PolarHBondContact N-O 3.14Å; L112-H119 PolarHBondContact O-N 3.38Å; L112-L121 HydrophobicContact CB-CB 4.19Å; L112-L121 HydrophobicContact CD2-CD2 4.48Å; L112-C227 HydrophobicContact CD2-CB 3.53Å; L112-C227 VanDerWaalsContact CD2-SG 3.56Å
113S81.8Confident79.9Confident71 Ų7148.9 Ų48.950%0.49726%0.262SS..EExtended strand (participates in β ladder)trans-92.5105.9176.4-54.70000110.5
114L78Confident80.8Confident21 Ų2145.2 Ų45.211%0.1124%0.236CC..EExtended strand (participates in β ladder)trans-121.8141.1170.4-68.1176.1000108.7L112 N116 Q117 C227 L228 L231L112-L114 HydrophobicContact CD2-CD1 3.78Å; L112-L114 HydrophobicContact CD2-CG 4.15Å; L112-L114 HydrophobicContact CG-CD1 4.25Å; L112-L114 HydrophobicContact CG-CG 4.06Å; L114-N116 PolarHBondContact O-N 2.84Å; L114-N116 VanDerWaalsContact O-N 3.11Å; L114-Q117 PolarHBondContact N-O 3.07Å; L114-Q117 PolarHBondContact O-N 3.1Å; L114-Q117 VanDerWaalsContact O-O 3.07Å; L114-C227 HydrophobicContact CD1-CB 4Å; L114-L228 HydrophobicContact CD1-CD2 4.05Å; L114-L228 HydrophobicContact CD1-CG 4.17Å; L114-L228 HydrophobicContact CD2-CD2 4.15Å; L114-L228 HydrophobicContact CD2-CG 4.35Å; L114-L231 HydrophobicContact CB-CD1 4.32Å; L114-L231 HydrophobicContact CD1-CD1 3.73Å
115D70.5Confident82.1Confident135 Ų13536.6 Ų36.672%0.72220%0.196SC*.THydrogen-bonded Turntrans49.139.3177.7-54.4-32000114.4Q117D115-Q117 PolarHBondContact O-N 2.96Å
116N69.5Low82.6Confident154 Ų15437.3 Ų37.382%0.82420%0.195SC*.THydrogen-bonded Turntrans58.620.5-173.5-64.9-22.8000115.4L114L114-N116 PolarHBondContact O-N 2.84Å; L114-N116 VanDerWaalsContact O-N 3.11Å
117Q74.2Confident82.9Confident103 Ų10336.8 Ų36.848%0.48119%0.19SC..EExtended strand (participates in β ladder)trans-118.3125.7174.7-62.5-173.214.100111.6L7 L114 D115 H119L7-Q117 HydrophobicContact CD2-CG 4.47Å; L114-Q117 PolarHBondContact N-O 3.07Å; L114-Q117 PolarHBondContact O-N 3.1Å; L114-Q117 VanDerWaalsContact O-O 3.07Å; D115-Q117 PolarHBondContact O-N 2.96Å; Q117-H119 PolarHBondContact O-N 3.22Å; Q117-H119 PolarHBondContact O-ND1 3.37Å
118S80.3Confident83.2Confident13 Ų1335.2 Ų35.29%0.09119%0.191CC..EExtended strand (participates in β ladder)trans-76.5118.1174.3-60.90000110.3I14 E111I14-S118 WeakPolarHBondContact CD1-O 3.24Å; E111-S118 PolarHBondContact OE1-OG 3.19Å
119H83.1Confident83.5Confident13 Ų1334.2 Ų34.26%0.0619%0.192CC..EExtended strand (participates in β ladder)trans-105.3150.1175.6-71.774000110.5P71 I73 L112 Q117P71-H119 WeakPolarHBondContact O-CA 3.35Å; I73-H119 HydrophobicContact CD1-CB 3.97Å; I73-H119 HydrophobicContact CG1-CB 4.43Å; L112-H119 PolarHBondContact N-O 3.14Å; L112-H119 PolarHBondContact O-N 3.38Å; Q117-H119 PolarHBondContact O-N 3.22Å; Q117-H119 PolarHBondContact O-ND1 3.37Å
120L84.7Confident83.9Confident6 Ų633.1 Ų33.13%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-92.698.1172.3-179.959.4000109.5I18 T65 V70 P71 G72 I73 K109 L122I18-L120 HydrophobicContact CD1-CD1 3.74Å; I18-L120 HydrophobicContact CG1-CD1 3.86Å; T65-L120 HydrophobicContact CG2-CD2 4.37Å; V70-L120 HydrophobicContact CG1-CB 4.11Å; P71-L120 PolarHBondContact O-N 3.31Å; G72-L120 CarbonylContact C-O 3.6Å; G72-L120 VanDerWaalsContact CA-O 3.26Å; G72-L120 WeakPolarHBondContact CA-O 3.48Å; I73-L120 PolarHBondContact N-O 3.22Å; K109-L120 HydrophobicContact CB-CD1 4.26Å; L120-L122 HydrophobicContact CD1-CD2 4.34Å; L120-L122 HydrophobicContact CD2-CD2 4.13Å; L120-L122 HydrophobicContact CG-CD2 3.89Å; L120-L122 HydrophobicContact CG-CG 4.42Å
121L89.3Confident84.1Confident0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-76.7123.9173.5178.360.3000109.3I73 L75 Y92 K109 K110 L112 I123I73-L121 HydrophobicContact CB-CD1 4.12Å; I73-L121 HydrophobicContact CG2-CD1 3.84Å; L75-L121 HydrophobicContact CB-CD1 3.93Å; L75-L121 HydrophobicContact CD2-CD1 4.36Å; Y92-L121 HydrophobicContact CE1-CD2 3.84Å; K109-L121 CarbonylContact C-O 3.2Å; K109-L121 VanDerWaalsContact CA-O 3.27Å; K109-L121 WeakPolarHBondContact CA-O 3.31Å; K110-L121 HydrophobicContact CB-CB 4.44Å; K110-L121 PolarHBondContact N-O 3.25Å; K110-L121 PolarHBondContact O-N 2.82Å; L112-L121 HydrophobicContact CB-CB 4.19Å; L112-L121 HydrophobicContact CD2-CD2 4.48Å; L121-I123 HydrophobicContact CD1-CG1 4.39Å; L121-I123 HydrophobicContact CD2-CD1 4.02Å; L121-I123 HydrophobicContact CD2-CG1 4.1Å; L121-I123 HydrophobicContact CG-CD1 4.31Å; L121-I123 HydrophobicContact CG-CG1 3.85Å
122L87.8Confident84.3Confident13 Ų1338.1 Ų38.17%0.06821%0.214CC..EExtended strand (participates in β ladder)trans-109.9118.4174.4-55.7177.3000107.5I73 K74 L75 K109 L120 W137I73-L122 PolarHBondContact O-N 3.05Å; K74-L122 HydrophobicContact CG-CD1 4.21Å; L75-L122 PolarHBondContact N-O 3.44Å; K109-L122 HydrophobicContact CB-CD2 4.22Å; K109-L122 HydrophobicContact CD-CD2 3.97Å; K109-L122 HydrophobicContact CG-CD2 3.65Å; L120-L122 HydrophobicContact CD1-CD2 4.34Å; L120-L122 HydrophobicContact CD2-CD2 4.13Å; L120-L122 HydrophobicContact CG-CD2 3.89Å; L120-L122 HydrophobicContact CG-CG 4.42Å; L122-W137 HydrophobicContact CB-CH2 3.88Å; L122-W137 HydrophobicContact CB-CZ2 3.83Å; L122-W137 HydrophobicContact CD1-CZ2 4.22Å
123I90.1Very high84.3Confident2 Ų243.3 Ų43.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-109.7132.5-177.8-49.5-179.5000108.8L75 L77 V89 Y92 L93 R107 F108 L121 F223L75-I123 WeakPolarHBondContact O-CA 3.35Å; L77-I123 HydrophobicContact CD1-CG2 3.35Å; V89-I123 HydrophobicContact CG1-CG2 4.37Å; V89-I123 HydrophobicContact CG2-CG2 4.41Å; Y92-I123 HydrophobicContact CD1-CD1 3.95Å; Y92-I123 HydrophobicContact CE1-CD1 3.9Å; L93-I123 HydrophobicContact CD2-CD1 4.05Å; R107-I123 WeakPolarHBondContact CA-O 3.41Å; F108-I123 HydrophobicContact CB-CB 4.28Å; F108-I123 HydrophobicContact CD2-CB 4.39Å; F108-I123 HydrophobicContact CD2-CG2 4.45Å; F108-I123 PolarHBondContact N-O 3.43Å; F108-I123 PolarHBondContact O-N 3.32Å; L121-I123 HydrophobicContact CD1-CG1 4.39Å; L121-I123 HydrophobicContact CD2-CD1 4.02Å; L121-I123 HydrophobicContact CD2-CG1 4.1Å; L121-I123 HydrophobicContact CG-CD1 4.31Å; L121-I123 HydrophobicContact CG-CG1 3.85Å; I123-F223 HydrophobicContact CD1-CD1 4.44Å; I123-F223 HydrophobicContact CD1-CE1 4.11Å
124R89.7Confident84.6Confident13 Ų1339.9 Ų39.95%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-127.3103.4176.4-177.4168.1169.4-180-11.8109.2L75 G76 L77 R107 E126 D131 F134 W137L75-R124 PolarHBondContact O-N 2.83Å; G76-R124 CarbonylContact C-O 3.6Å; G76-R124 WeakPolarHBondContact CA-O 3.37Å; L77-R124 PolarHBondContact N-O 3.38Å; R107-R124 HydrophobicContact CG-CG 4.19Å; R124-E126 IonicContact CZ-OE1 2.82Å; R124-E126 IonicContact NE-OE1 2.86Å; R124-E126 PolarHBondContact NE-OE1 2.81Å; R124-E126 IonicContact NH2-OE1 3.87Å; R124-E126 PolarHBondContact NH2-OE1 3.33Å; R124-D131 IonicContact NH2-OD1 3.86Å; R124-F134 HydrophobicContact CG-CD2 4.17Å; R124-F134 HydrophobicContact CG-CE2 4.34Å; R124-W137 HydrophobicContact CB-CE3 4.31Å; R124-W137 HydrophobicContact CB-CH2 3.88Å; R124-W137 HydrophobicContact CB-CZ3 3.53Å; R124-W137 HydrophobicContact CG-CZ3 4.45Å
125D91.2Very high85.2Confident3 Ų338.9 Ų38.92%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-85121.7170.7175.625.1000108.6K85 S86 G105 G106 F108K85-D125 VanDerWaalsContact CD-OD1 3.23Å; K85-D125 WeakPolarHBondContact CD-OD1 3.25Å; K85-D125 WeakPolarHBondContact CE-OD1 3.38Å; K85-D125 WeakPolarHBondContact CG-OD1 3.32Å; K85-D125 IonicContact NZ-OD1 3.23Å; K85-D125 PolarHBondContact NZ-OD1 2.7Å; K85-D125 IonicContact NZ-OD2 2.82Å; K85-D125 PolarHBondContact NZ-OD2 2.94Å; S86-D125 WeakPolarHBondContact CB-OD2 3.44Å; S86-D125 PolarHBondContact OG-OD2 2.9Å; G105-D125 CarbonylContact C-O 3.53Å; G105-D125 VanDerWaalsContact CA-O 3.24Å; G105-D125 WeakPolarHBondContact CA-O 3.41Å; G106-D125 PolarHBondContact N-O 3.21Å; G106-D125 PolarHBondContact O-N 2.75Å; F108-D125 HydrophobicContact CE2-CB 4.3Å
126E89Confident86Confident30 Ų3037.9 Ų37.914%0.1420%0.2CC..EExtended strand (participates in β ladder)trans-95.2130.5175.2-71.2-68.6144.800110.6L77 L78 K85 R124 G128 F134L77-E126 PolarHBondContact O-N 2.75Å; L78-E126 HydrophobicContact CD2-CB 3.96Å; L78-E126 HydrophobicContact CD2-CG 4.03Å; K85-E126 WeakPolarHBondContact CE-O 3.47Å; K85-E126 PolarHBondContact NZ-O 2.89Å; R124-E126 IonicContact CZ-OE1 2.82Å; R124-E126 IonicContact NE-OE1 2.86Å; R124-E126 PolarHBondContact NE-OE1 2.81Å; R124-E126 IonicContact NH2-OE1 3.87Å; R124-E126 PolarHBondContact NH2-OE1 3.33Å; E126-G128 VanDerWaalsContact C-N 3.29Å; E126-F134 HydrophobicContact CG-CD2 3.41Å; E126-F134 VanDerWaalsContact CG-CD2 3.41Å; E126-F134 HydrophobicContact CG-CE2 3.51Å; E126-F134 HydrophobicContact CG-CG 4.2Å; E126-F134 HydrophobicContact CG-CZ 4.36Å; E126-F134 WeakPolarHBondContact OE1-CD2 3.46Å
127G82.7Confident86.8Confident10 Ų1032.9 Ų32.910%0.10317%0.17CC..SBendtrans-72.6-22.4167.800000113.8P103P103-G127 VanDerWaalsContact O-CA 3.32Å; P103-G127 WeakPolarHBondContact O-CA 3.34Å
128G86Confident87.6Confident23 Ų2328 Ų2824%0.23715%0.147CC..SBendtrans-123.4-171.1-172.300000114.8E126 Y159E126-G128 VanDerWaalsContact C-N 3.29Å; G128-Y159 WeakPolarHBondContact O-CE2 3.22Å
129P89.3Confident88.1Confident50 Ų5029.2 Ų29.233%0.32515%0.152SC..SBendtrans-72.7147.2177.931.1-36000111.4D131 Y159 R162P129-D131 PolarHBondContact O-N 2.92Å; P129-Y159 VanDerWaalsContact CA-CZ 3.45Å; P129-Y159 HydrophobicContact CB-CD1 3.86Å; P129-Y159 HydrophobicContact CB-CE1 3.47Å; P129-Y159 VanDerWaalsContact CB-CE1 3.47Å; P129-Y159 HydrophobicContact CG-CE1 4.48Å; P129-R162 VanDerWaalsContact CB-CZ 3.49Å
130P91.5Very high88.6Confident0 Ų028.7 Ų28.70%015%0.151CC..  trans-59.1141.9-17723.5-33000112.2L78 F134 Y159 R162 L163L78-P130 HydrophobicContact CD1-CB 4Å; L78-P130 HydrophobicContact CD1-CG 3.86Å; L78-P130 HydrophobicContact CD2-CB 4.09Å; L78-P130 HydrophobicContact CD2-CG 4.38Å; P130-F134 HydrophobicContact CB-CD1 3.94Å; P130-F134 HydrophobicContact CB-CE1 4.34Å; P130-Y159 VanDerWaalsContact CG-O 3.32Å; P130-Y159 WeakPolarHBondContact CG-O 3.32Å; P130-R162 HydrophobicContact CG-CB 4.05Å; P130-R162 PolarHBondContact O-NE 3.48Å; P130-R162 PolarHBondContact O-NH2 2.8Å; P130-L163 HydrophobicContact CG-CB 4.22Å
131D88.4Confident89.1Confident48 Ų4828.5 Ų28.526%0.25715%0.15SC..  trans-109.4-179176.393.9-60000111.3R124 P129 Q133 F134 S135R124-D131 IonicContact NH2-OD1 3.86Å; P129-D131 PolarHBondContact O-N 2.92Å; D131-Q133 VanDerWaalsContact CG-N 3.32Å; D131-Q133 PolarHBondContact OD1-N 2.89Å; D131-Q133 VanDerWaalsContact OD2-CB 3.31Å; D131-Q133 WeakPolarHBondContact OD2-CB 3.35Å; D131-Q133 WeakPolarHBondContact OD2-CG 3.35Å; D131-Q133 PolarHBondContact OD2-N 3.46Å; D131-F134 WeakPolarHBondContact OD1-CB 3.5Å; D131-F134 PolarHBondContact OD1-N 2.85Å; D131-S135 VanDerWaalsContact O-CB 3.28Å; D131-S135 WeakPolarHBondContact O-CB 3.31Å; D131-S135 PolarHBondContact O-N 3.41Å; D131-S135 VanDerWaalsContact O-N 3.15Å; D131-S135 PolarHBondContact O-OG 3.44Å
132L87.8Confident89.5Confident80 Ų8028.5 Ų28.542%0.41915%0.15SC..Hα-helixtrans-66-40.4178.4-176.162.5000112.2S135 Q136 Y166L132-S135 PolarHBondContact O-N 3.11Å; L132-Q136 HydrophobicContact CD1-CG 4.26Å; L132-Q136 WeakPolarHBondContact O-CB 3.37Å; L132-Q136 WeakPolarHBondContact O-CG 3.46Å; L132-Q136 PolarHBondContact O-N 3.39Å; L132-Y166 HydrophobicContact CB-CD1 4.28Å; L132-Y166 HydrophobicContact CB-CE1 4.42Å; L132-Y166 HydrophobicContact CD1-CD1 3.77Å; L132-Y166 HydrophobicContact CD1-CG 4.14Å
133Q84.8Confident89.8Confident121 Ų12127.9 Ų27.957%0.56515%0.147SC*.Hα-helixtrans-66.7-48.9-178-59.9-17312.700111.4D131 S135 Q136 W137D131-Q133 VanDerWaalsContact CG-N 3.32Å; D131-Q133 PolarHBondContact OD1-N 2.89Å; D131-Q133 VanDerWaalsContact OD2-CB 3.31Å; D131-Q133 WeakPolarHBondContact OD2-CB 3.35Å; D131-Q133 WeakPolarHBondContact OD2-CG 3.35Å; D131-Q133 PolarHBondContact OD2-N 3.46Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 3.08Å; Q133-Q136 PolarHBondContact O-N 2.82Å; Q133-W137 WeakPolarHBondContact O-CB 2.93Å; Q133-W137 PolarHBondContact O-N 2.68Å
134F89.3Confident90.1Very high0 Ų027.8 Ų27.80%015%0.146CC..Hα-helixtrans-54.8-50.9173.8176.8-86.6000110.8L78 R124 E126 P130 D131 Q136 W137 V138 V141L78-F134 HydrophobicContact CD1-CE1 3.84Å; L78-F134 HydrophobicContact CD1-CZ 4.21Å; L78-F134 HydrophobicContact CD2-CD1 4.46Å; L78-F134 HydrophobicContact CD2-CE1 3.79Å; L78-F134 HydrophobicContact CD2-CE2 4.19Å; L78-F134 HydrophobicContact CD2-CZ 3.62Å; L78-F134 HydrophobicContact CG-CE1 3.86Å; L78-F134 HydrophobicContact CG-CZ 3.7Å; R124-F134 HydrophobicContact CG-CD2 4.17Å; R124-F134 HydrophobicContact CG-CE2 4.34Å; E126-F134 HydrophobicContact CG-CD2 3.41Å; E126-F134 VanDerWaalsContact CG-CD2 3.41Å; E126-F134 HydrophobicContact CG-CE2 3.51Å; E126-F134 HydrophobicContact CG-CG 4.2Å; E126-F134 HydrophobicContact CG-CZ 4.36Å; E126-F134 WeakPolarHBondContact OE1-CD2 3.46Å; P130-F134 HydrophobicContact CB-CD1 3.94Å; P130-F134 HydrophobicContact CB-CE1 4.34Å; D131-F134 WeakPolarHBondContact OD1-CB 3.5Å; D131-F134 PolarHBondContact OD1-N 2.85Å; F134-Q136 VanDerWaalsContact C-N 3.32Å; F134-Q136 PolarHBondContact O-N 3.24Å; F134-W137 PolarHBondContact O-N 2.82Å; F134-V138 HydrophobicContact CD1-CG1 4.21Å; F134-V138 HydrophobicContact CD2-CG1 4.26Å; F134-V138 HydrophobicContact CE1-CG1 3.87Å; F134-V138 HydrophobicContact CE1-CG2 4.47Å; F134-V138 HydrophobicContact CE2-CG1 3.95Å; F134-V138 HydrophobicContact CG-CG1 4.39Å; F134-V138 HydrophobicContact CZ-CG1 3.76Å; F134-V138 WeakPolarHBondContact O-CG2 3.25Å; F134-V138 PolarHBondContact O-N 3.01Å; F134-V141 HydrophobicContact CE1-CG2 4.05Å; F134-V141 HydrophobicContact CZ-CG2 4.24Å
135S90.1Very high90.4Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-63.2-35.2-174.8-57.90000113.2D131 L132 Q133 L163 Y166 R167D131-S135 VanDerWaalsContact O-CB 3.28Å; D131-S135 WeakPolarHBondContact O-CB 3.31Å; D131-S135 PolarHBondContact O-N 3.41Å; D131-S135 VanDerWaalsContact O-N 3.15Å; D131-S135 PolarHBondContact O-OG 3.44Å; L132-S135 PolarHBondContact O-N 3.11Å; Q133-S135 VanDerWaalsContact C-N 3.34Å; Q133-S135 PolarHBondContact O-N 3.08Å; S135-L163 WeakPolarHBondContact OG-CD1 3.38Å; S135-Y166 WeakPolarHBondContact OG-CD2 3.22Å; S135-R167 WeakPolarHBondContact O-CD 3.49Å; S135-R167 PolarHBondContact O-NH1 2.92Å
136Q86.4Confident90.4Very high113 Ų11327.7 Ų27.753%0.52815%0.147SC..Hα-helixtrans-79.3-30.1173.7-69.2-178-5.100112.7L132 Q133 F134L132-Q136 HydrophobicContact CD1-CG 4.26Å; L132-Q136 WeakPolarHBondContact O-CB 3.37Å; L132-Q136 WeakPolarHBondContact O-CG 3.46Å; L132-Q136 PolarHBondContact O-N 3.39Å; Q133-Q136 PolarHBondContact O-N 2.82Å; F134-Q136 VanDerWaalsContact C-N 3.32Å; F134-Q136 PolarHBondContact O-N 3.24Å
137W86.7Confident90.6Very high50 Ų5026.2 Ų26.219%0.18914%0.141CC..Hα-helixtrans-75.2-43.8-177.2-179.590.3000113.6K74 L122 R124 Q133 F134K74-W137 HydrophobicContact CB-CD2 4.24Å; K74-W137 HydrophobicContact CB-CE3 4.04Å; K74-W137 HydrophobicContact CB-CH2 3.81Å; K74-W137 HydrophobicContact CB-CZ2 4.01Å; K74-W137 HydrophobicContact CB-CZ3 3.82Å; K74-W137 HydrophobicContact CD-CD2 3.91Å; K74-W137 HydrophobicContact CD-CG 4.16Å; K74-W137 HydrophobicContact CD-CZ2 4.13Å; K74-W137 WeakPolarHBondContact CD-O 3.21Å; K74-W137 HydrophobicContact CG-CD2 4.37Å; K74-W137 HydrophobicContact CG-CH2 4.16Å; K74-W137 HydrophobicContact CG-CZ2 3.85Å; L122-W137 HydrophobicContact CB-CH2 3.88Å; L122-W137 HydrophobicContact CB-CZ2 3.83Å; L122-W137 HydrophobicContact CD1-CZ2 4.22Å; R124-W137 HydrophobicContact CB-CE3 4.31Å; R124-W137 HydrophobicContact CB-CH2 3.88Å; R124-W137 HydrophobicContact CB-CZ3 3.53Å; R124-W137 HydrophobicContact CG-CZ3 4.45Å; Q133-W137 WeakPolarHBondContact O-CB 2.93Å; Q133-W137 PolarHBondContact O-N 2.68Å; F134-W137 PolarHBondContact O-N 2.82Å
138V91.1Very high90.8Very high1 Ų128.2 Ų28.21%0.00615%0.147CC..  trans-63.1146.6-172-69.20000114.6F134 V141 R167 L172F134-V138 HydrophobicContact CD1-CG1 4.21Å; F134-V138 HydrophobicContact CD2-CG1 4.26Å; F134-V138 HydrophobicContact CE1-CG1 3.87Å; F134-V138 HydrophobicContact CE1-CG2 4.47Å; F134-V138 HydrophobicContact CE2-CG1 3.95Å; F134-V138 HydrophobicContact CG-CG1 4.39Å; F134-V138 HydrophobicContact CZ-CG1 3.76Å; F134-V138 WeakPolarHBondContact O-CG2 3.25Å; F134-V138 PolarHBondContact O-N 3.01Å; V138-V141 HydrophobicContact CB-CG2 4.23Å; V138-V141 HydrophobicContact CG1-CG2 4.25Å; V138-V141 HydrophobicContact CG2-CG2 3.9Å; V138-R167 VanDerWaalsContact O-CZ 3.32Å; V138-R167 PolarHBondContact O-NH1 3.17Å; V138-R167 PolarHBondContact O-NH2 2.89Å; V138-L172 HydrophobicContact CB-CD1 4.43Å; V138-L172 HydrophobicContact CG2-CD1 3.73Å
139D91.1Very high90.9Very high37 Ų3728.4 Ų28.420%0.19814%0.143CC..SBendtrans-92.7-27.3163.6-69.4-81.8000112K74 L172 P173 I230 R234K74-D139 HydrophobicContact CB-CB 4.38Å; K74-D139 WeakPolarHBondContact CB-OD2 3.39Å; K74-D139 WeakPolarHBondContact CG-OD2 3.41Å; K74-D139 PolarHBondContact N-OD2 2.83Å; K74-D139 WeakPolarHBondContact O-CA 3.43Å; K74-D139 WeakPolarHBondContact O-CB 3.28Å; K74-D139 PolarHBondContact O-N 3.35Å; D139-L172 WeakPolarHBondContact O-CD1 3.43Å; D139-P173 WeakPolarHBondContact O-CD 3.45Å; D139-I230 HydrophobicContact CB-CD1 4.03Å; D139-I230 HydrophobicContact CB-CG1 4.13Å; D139-I230 HydrophobicContact CB-CG2 3.58Å; D139-R234 IonicContact OD1-CZ 2.98Å; D139-R234 IonicContact OD1-NE 2.76Å; D139-R234 PolarHBondContact OD1-NE 3.28Å; D139-R234 IonicContact OD1-NH2 2.71Å; D139-R234 PolarHBondContact OD1-NH2 2.8Å; D139-R234 IonicContact OD2-CZ 3.82Å; D139-R234 IonicContact OD2-NH2 3.23Å; D139-R234 PolarHBondContact OD2-NH2 2.81Å
140G93.7Very high91Very high2 Ų228.1 Ų28.12%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-160.4164.2176.600000112.4K74 G76 P173K74-G140 PolarHBondContact O-N 2.78Å; G76-G140 PolarHBondContact N-O 3.32Å; G140-P173 WeakPolarHBondContact CA-O 3.38Å
141V95.4Very high91Very high3 Ų333.6 Ų33.62%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-135.3137.4-172.5171.80000112.4G76 L78 F134 V138 F143 L163 L172 P173 I174 I175G76-V141 WeakPolarHBondContact O-CA 3.18Å; L78-V141 HydrophobicContact CB-CG1 4.4Å; L78-V141 HydrophobicContact CD1-CG1 3.94Å; L78-V141 HydrophobicContact CG-CG1 4.08Å; F134-V141 HydrophobicContact CE1-CG2 4.05Å; F134-V141 HydrophobicContact CZ-CG2 4.24Å; V138-V141 HydrophobicContact CB-CG2 4.23Å; V138-V141 HydrophobicContact CG1-CG2 4.25Å; V138-V141 HydrophobicContact CG2-CG2 3.9Å; V141-F143 HydrophobicContact CG1-CD2 4Å; V141-F143 HydrophobicContact CG1-CE2 3.71Å; V141-F143 HydrophobicContact CG1-CZ 4.06Å; V141-L163 HydrophobicContact CG1-CD2 4.43Å; V141-L163 HydrophobicContact CG2-CD2 4.21Å; V141-L172 HydrophobicContact CB-CD2 4.37Å; V141-L172 HydrophobicContact CG2-CD2 3.9Å; V141-P173 PolarHBondContact N-O 3.38Å; V141-I174 WeakPolarHBondContact O-CA 3.46Å; V141-I175 PolarHBondContact O-N 3.46Å; V141-I175 VanDerWaalsContact O-N 3.15Å
142I96.5Very high91.2Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-106.4124.6167.1-59.4163.9000108.4L75 G76 L77 L78 V144 I175 V177 V222 F223 A226L75-I142 HydrophobicContact CD1-CD1 4.12Å; L75-I142 HydrophobicContact CD1-CG1 4.15Å; L75-I142 HydrophobicContact CD2-CD1 3.94Å; L75-I142 HydrophobicContact CG-CD1 4.26Å; G76-I142 PolarHBondContact O-N 3.09Å; L77-I142 WeakPolarHBondContact CA-O 3.08Å; L77-I142 HydrophobicContact CD2-CB 4.46Å; L77-I142 HydrophobicContact CG-CB 4.26Å; L78-I142 PolarHBondContact N-O 2.61Å; I142-V144 HydrophobicContact CG2-CG2 3.96Å; I142-I175 WeakPolarHBondContact CA-O 3.44Å; I142-I175 HydrophobicContact CG1-CB 4.44Å; I142-V177 HydrophobicContact CG2-CB 4.32Å; I142-V177 HydrophobicContact CG2-CG2 3.54Å; I142-V222 HydrophobicContact CD1-CG1 3.92Å; I142-V222 HydrophobicContact CG1-CG1 4.47Å; I142-V222 HydrophobicContact CG2-CG1 4.38Å; I142-F223 HydrophobicContact CD1-CD1 4.29Å; I142-F223 HydrophobicContact CD1-CE1 4.21Å; I142-A226 HydrophobicContact CD1-CB 4.21Å; I142-A226 HydrophobicContact CG1-CB 4.34Å
143F96.1Very high91.5Very high0 Ų029.2 Ų29.20%014%0.138CC..EExtended strand (participates in β ladder)trans-92.2131.7167.9-72.9-84.8000110.1L78 V141 V156 Y160 L163 I174 I175 L176 V177L78-F143 HydrophobicContact CB-CD1 3.76Å; L78-F143 HydrophobicContact CB-CE1 3.78Å; L78-F143 HydrophobicContact CD1-CD1 4.39Å; L78-F143 HydrophobicContact CD1-CE1 3.57Å; L78-F143 HydrophobicContact CD1-CZ 3.79Å; L78-F143 HydrophobicContact CG-CE1 4.33Å; L78-F143 CarbonylContact O-C 3.48Å; L78-F143 VanDerWaalsContact O-CA 3.31Å; L78-F143 WeakPolarHBondContact O-CA 3.46Å; V141-F143 HydrophobicContact CG1-CD2 4Å; V141-F143 HydrophobicContact CG1-CE2 3.71Å; V141-F143 HydrophobicContact CG1-CZ 4.06Å; F143-V156 HydrophobicContact CB-CG1 3.85Å; F143-V156 HydrophobicContact CB-CG2 4.34Å; F143-V156 HydrophobicContact CD1-CG1 3.88Å; F143-V156 HydrophobicContact CG-CG1 3.97Å; F143-Y160 HydrophobicContact CE2-CD2 4.16Å; F143-Y160 HydrophobicContact CZ-CD2 4.2Å; F143-L163 HydrophobicContact CE2-CD2 4.28Å; F143-L163 HydrophobicContact CZ-CD2 3.88Å; F143-I174 HydrophobicContact CD2-CG2 3.77Å; F143-I174 HydrophobicContact CE2-CG2 3.94Å; F143-I175 PolarHBondContact N-O 3.05Å; F143-L176 HydrophobicContact CB-CD1 3.89Å; F143-L176 CarbonylContact O-C 3.56Å; F143-V177 PolarHBondContact O-N 3.31Å
144V95.5Very high91.8Very high0 Ų029.1 Ų29.10%014%0.138CC..EExtended strand (participates in β ladder)trans-123.1133.5-176.9-165.30000110.3L77 L78 G79 S83 K85 L88 I142 V177 T179L77-V144 HydrophobicContact CD2-CG2 4.11Å; L78-V144 PolarHBondContact O-N 2.96Å; G79-V144 WeakPolarHBondContact CA-O 3.23Å; S83-V144 VanDerWaalsContact CB-O 3.26Å; S83-V144 WeakPolarHBondContact CB-O 3.49Å; S83-V144 WeakPolarHBondContact O-CG1 3.5Å; K85-V144 HydrophobicContact CB-CB 4.11Å; K85-V144 HydrophobicContact CB-CG1 4.36Å; K85-V144 HydrophobicContact CB-CG2 4.16Å; L88-V144 HydrophobicContact CD2-CG1 4.26Å; L88-V144 HydrophobicContact CD2-CG2 4.15Å; I142-V144 HydrophobicContact CG2-CG2 3.96Å; V144-V177 WeakPolarHBondContact CA-O 3.41Å; V144-V177 HydrophobicContact CG1-CB 4.48Å; V144-V177 HydrophobicContact CG1-CG1 4.4Å; V144-V177 HydrophobicContact CG2-CB 4.49Å; V144-T179 HydrophobicContact CG1-CG2 3.67Å
145F94.9Very high92Very high0 Ų030.8 Ų30.80%015%0.148CC..EExtended strand (participates in β ladder)trans-137.7159.1169.970.6-86.2000109.8L147 Y153 V156 L176 V177 G178 T179 I191 A196 Y208F145-L147 HydrophobicContact CE2-CD2 3.98Å; F145-L147 HydrophobicContact CZ-CD2 4.43Å; F145-Y153 HydrophobicContact CD2-CD2 4.08Å; F145-Y153 HydrophobicContact CE2-CD2 4.02Å; F145-Y153 HydrophobicContact CG-CD2 4.44Å; F145-Y153 HydrophobicContact CZ-CD2 4.31Å; F145-V156 HydrophobicContact CB-CG2 4.1Å; F145-L176 HydrophobicContact CD1-CD1 3.84Å; F145-L176 HydrophobicContact CD1-CG 4.33Å; F145-L176 HydrophobicContact CE1-CD1 3.87Å; F145-L176 HydrophobicContact CE1-CD2 4.1Å; F145-L176 HydrophobicContact CE1-CG 3.85Å; F145-V177 WeakPolarHBondContact CD1-O 3.38Å; F145-V177 WeakPolarHBondContact CE1-O 3.5Å; F145-V177 PolarHBondContact N-O 2.77Å; F145-G178 CarbonylContact O-C 3.3Å; F145-G178 WeakPolarHBondContact O-CA 3.25Å; F145-T179 PolarHBondContact O-N 2.87Å; F145-T179 PolarHBondContact O-OG1 2.81Å; F145-I191 HydrophobicContact CD2-CD1 3.95Å; F145-I191 HydrophobicContact CE2-CB 4.42Å; F145-I191 HydrophobicContact CE2-CD1 4.1Å; F145-I191 HydrophobicContact CE2-CG2 3.88Å; F145-I191 HydrophobicContact CZ-CG2 4.47Å; F145-A196 HydrophobicContact CZ-CB 3.91Å; F145-Y208 HydrophobicContact CE1-CE2 4.06Å; F145-Y208 AromaticContact CZ-CE2 3.92Å; F145-Y208 HydrophobicContact CZ-CE2 3.92Å
146S93Very high92.2Very high13 Ų1330.8 Ų30.89%0.09115%0.148CC..EExtended strand (participates in β ladder)trans-94136.6172.61590000110.9E148 N149 S152 T179 I191S146-E148 PolarHBondContact O-N 3.01Å; S146-E148 VanDerWaalsContact O-N 3.12Å; S146-E148 PolarHBondContact OG-N 3.45Å; S146-N149 PolarHBondContact O-N 3.5Å; S146-S152 PolarHBondContact N-OG 3.09Å; S146-S152 PolarHBondContact O-OG 3.33Å; S146-T179 VanDerWaalsContact CA-OG1 3.31Å; S146-T179 WeakPolarHBondContact CA-OG1 3.41Å; S146-I191 WeakPolarHBondContact O-CD1 3.29Å
147L91.9Very high92.5Very high0 Ų032.1 Ų32.10%015%0.149CC..THydrogen-bonded Turntrans-64.4-12.4178.4-73.2166.9000113.7F145 T179 Q180 R189 V190 I191 E210F145-L147 HydrophobicContact CE2-CD2 3.98Å; F145-L147 HydrophobicContact CZ-CD2 4.43Å; L147-T179 WeakPolarHBondContact CB-O 3.34Å; L147-T179 WeakPolarHBondContact CG-O 3.38Å; L147-T179 PolarHBondContact N-O 2.91Å; L147-Q180 HydrophobicContact CD1-CB 4.13Å; L147-Q180 HydrophobicContact CD1-CG 4.39Å; L147-R189 HydrophobicContact CB-CG 4.45Å; L147-V190 PolarHBondContact O-N 2.79Å; L147-I191 HydrophobicContact CD2-CB 4.41Å; L147-I191 HydrophobicContact CD2-CG2 4.4Å; L147-I191 PolarHBondContact O-N 3.26Å; L147-E210 HydrophobicContact CD1-CG 4.21Å
148E88Confident92.7Very high51 Ų5134.3 Ų34.324%0.23817%0.165CC..THydrogen-bonded Turntrans-102.1-17-179-60162.6-13800112.4S146 S182 Y187 V190S146-E148 PolarHBondContact O-N 3.01Å; S146-E148 VanDerWaalsContact O-N 3.12Å; S146-E148 PolarHBondContact OG-N 3.45Å; E148-S182 PolarHBondContact OE1-OG 2.84Å; E148-S182 WeakPolarHBondContact OE2-CB 3.35Å; E148-S182 PolarHBondContact OE2-OG 2.84Å; E148-Y187 HydrophobicContact CG-CD2 4.26Å; E148-Y187 HydrophobicContact CG-CE2 3.94Å; E148-Y187 WeakPolarHBondContact OE1-CE2 3.18Å; E148-V190 VanDerWaalsContact O-CG2 3.24Å; E148-V190 WeakPolarHBondContact O-CG2 3.09Å
149N87.9Confident92.9Very high28 Ų2835.8 Ų35.815%0.1517%0.17CC..  trans-118.6103.3-168-176-53.7000110.6Q82 S146 E151 S152 Y153Q82-N149 PolarHBondContact OE1-ND2 2.74Å; S146-N149 PolarHBondContact O-N 3.5Å; N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 2.78Å; N149-E151 PolarHBondContact OD1-N 3.27Å; N149-E151 PolarHBondContact OD1-OE2 3.46Å; N149-S152 PolarHBondContact O-N 3.49Å; N149-S152 PolarHBondContact O-OG 3.43Å; N149-S152 WeakPolarHBondContact OD1-CB 3.31Å; N149-S152 PolarHBondContact OD1-N 3.05Å; N149-Y153 PolarHBondContact O-N 3.46Å
150I91Very high93Very high43 Ų4335.7 Ų35.722%0.22117%0.167CC..Hα-helixtrans-71.2-28.6-172.8-170.359.4000112.7Y153 Q154 V190 I191I150-Y153 HydrophobicContact CD1-CD1 4Å; I150-Y153 HydrophobicContact CD1-CG 4.43Å; I150-Y153 PolarHBondContact O-N 3.15Å; I150-Q154 WeakPolarHBondContact O-CG 3.5Å; I150-Q154 PolarHBondContact O-N 3.46Å; I150-Q154 VanDerWaalsContact O-N 3.1Å; I150-V190 HydrophobicContact CB-CG1 4.04Å; I150-I191 HydrophobicContact CD1-CD1 4.43Å; I150-I191 HydrophobicContact CD1-CG1 3.92Å
151E91.3Very high92.9Very high115 Ų11537.5 Ų37.554%0.53718%0.182SC..Hα-helixtrans-63.6-44.4174.2-63.771-16200110.4N149 Y153 Q154 V155N149-E151 VanDerWaalsContact C-N 3.32Å; N149-E151 PolarHBondContact O-N 2.78Å; N149-E151 PolarHBondContact OD1-N 3.27Å; N149-E151 PolarHBondContact OD1-OE2 3.46Å; E151-Y153 VanDerWaalsContact C-N 3.27Å; E151-Y153 PolarHBondContact O-N 2.66Å; E151-Q154 PolarHBondContact O-N 2.94Å; E151-Q154 VanDerWaalsContact O-N 3.11Å; E151-V155 WeakPolarHBondContact O-CG2 3.03Å; E151-V155 PolarHBondContact O-N 3.03Å
152S92.1Very high92.8Very high0 Ų042.1 Ų42.10%020%0.199CC..Hα-helixtrans-59.7-37.3176.777.60000112.7S80 S146 N149S80-S152 WeakPolarHBondContact OG-CA 3.35Å; S80-S152 WeakPolarHBondContact OG-CB 3.45Å; S146-S152 PolarHBondContact N-OG 3.09Å; S146-S152 PolarHBondContact O-OG 3.33Å; N149-S152 PolarHBondContact O-N 3.49Å; N149-S152 PolarHBondContact O-OG 3.43Å; N149-S152 WeakPolarHBondContact OD1-CB 3.31Å; N149-S152 PolarHBondContact OD1-N 3.05Å
153Y94Very high92.6Very high36 Ų3642.1 Ų42.114%0.14120%0.199CC..Hα-helixtrans-70.1-36.5175.9168.3-81.4000112.2F145 N149 I150 E151 I191 R195 L199F145-Y153 HydrophobicContact CD2-CD2 4.08Å; F145-Y153 HydrophobicContact CE2-CD2 4.02Å; F145-Y153 HydrophobicContact CG-CD2 4.44Å; F145-Y153 HydrophobicContact CZ-CD2 4.31Å; N149-Y153 PolarHBondContact O-N 3.46Å; I150-Y153 HydrophobicContact CD1-CD1 4Å; I150-Y153 HydrophobicContact CD1-CG 4.43Å; I150-Y153 PolarHBondContact O-N 3.15Å; E151-Y153 VanDerWaalsContact C-N 3.27Å; E151-Y153 PolarHBondContact O-N 2.66Å; Y153-I191 HydrophobicContact CD2-CD1 4.32Å; Y153-I191 HydrophobicContact CD2-CG1 4.27Å; Y153-I191 HydrophobicContact CD2-CG2 3.94Å; Y153-I191 HydrophobicContact CE2-CG2 4.21Å; Y153-I191 HydrophobicContact CG-CD1 4.13Å; Y153-I191 HydrophobicContact CG-CG1 4.22Å; Y153-R195 HydrophobicContact CE1-CG 4.42Å; Y153-R195 HydrophobicContact CE2-CG 4.16Å; Y153-R195 PolarHBondContact OH-O 2.87Å; Y153-L199 HydrophobicContact CD2-CD2 3.81Å; Y153-L199 HydrophobicContact CE2-CB 3.92Å; Y153-L199 HydrophobicContact CE2-CD2 3.49Å; Y153-L199 VanDerWaalsContact CE2-CD2 3.49Å; Y153-L199 HydrophobicContact CE2-CG 4.32Å
154Q92.5Very high92.3Very high119 Ų11944.8 Ų44.856%0.55622%0.218SC*.Hα-helixtrans-68.2-44176.2-70.717312.800111.6I150 E151 V156 Y157I150-Q154 WeakPolarHBondContact O-CG 3.5Å; I150-Q154 PolarHBondContact O-N 3.46Å; I150-Q154 VanDerWaalsContact O-N 3.1Å; E151-Q154 PolarHBondContact O-N 2.94Å; E151-Q154 VanDerWaalsContact O-N 3.11Å; Q154-V156 PolarHBondContact O-N 3.17Å; Q154-V156 VanDerWaalsContact O-N 3.15Å; Q154-Y157 PolarHBondContact O-N 3.48Å
155V93.4Very high92Very high35 Ų3549.6 Ų49.621%0.21225%0.248CC..Hα-helixtrans-55.9-32.2-179.3166.10000113.1E151 Y157 D158 Y159E151-V155 WeakPolarHBondContact O-CG2 3.03Å; E151-V155 PolarHBondContact O-N 3.03Å; V155-Y157 VanDerWaalsContact C-N 3.27Å; V155-Y157 PolarHBondContact O-N 2.65Å; V155-D158 PolarHBondContact O-N 3.15Å; V155-Y159 HydrophobicContact CG1-CD1 3.7Å; V155-Y159 HydrophobicContact CG1-CD2 4.1Å; V155-Y159 HydrophobicContact CG1-CE1 3.41Å; V155-Y159 VanDerWaalsContact CG1-CE1 3.41Å; V155-Y159 HydrophobicContact CG1-CE2 3.84Å; V155-Y159 HydrophobicContact CG1-CG 4.04Å; V155-Y159 VanDerWaalsContact CG1-CZ 3.48Å; V155-Y159 WeakPolarHBondContact O-CB 3.46Å; V155-Y159 WeakPolarHBondContact O-CD1 3.33Å; V155-Y159 PolarHBondContact O-N 3.26Å
156V94.2Very high91.8Very high0 Ų053.9 Ų53.90%026%0.264CS..Hα-helixtrans-56.8-39.1175.9169.80000112.4F143 F145 Q154 Y160 L176 L199 L203F143-V156 HydrophobicContact CB-CG1 3.85Å; F143-V156 HydrophobicContact CB-CG2 4.34Å; F143-V156 HydrophobicContact CD1-CG1 3.88Å; F143-V156 HydrophobicContact CG-CG1 3.97Å; F145-V156 HydrophobicContact CB-CG2 4.1Å; Q154-V156 PolarHBondContact O-N 3.17Å; Q154-V156 VanDerWaalsContact O-N 3.15Å; V156-Y160 WeakPolarHBondContact O-CB 3.4Å; V156-Y160 PolarHBondContact O-N 2.88Å; V156-L176 HydrophobicContact CG1-CD1 3.96Å; V156-L199 HydrophobicContact CB-CD2 4.32Å; V156-L199 HydrophobicContact CG1-CD2 4.02Å; V156-L203 HydrophobicContact CG1-CD1 3.81Å
157Y91.1Very high91.5Very high141 Ų14154.8 Ų54.855%0.55327%0.266SS*.Hα-helixtrans-67.9-45.7-179.1-170.4-91.6000111.5Q154 V155 Y159 Y160 A161Q154-Y157 PolarHBondContact O-N 3.48Å; V155-Y157 VanDerWaalsContact C-N 3.27Å; V155-Y157 PolarHBondContact O-N 2.65Å; Y157-Y159 VanDerWaalsContact C-N 3.35Å; Y157-Y159 PolarHBondContact O-N 3.26Å; Y157-Y160 PolarHBondContact O-N 3.05Å; Y157-A161 WeakPolarHBondContact O-CB 3.41Å; Y157-A161 PolarHBondContact O-N 3.21Å
158D92.6Very high91.1Very high97 Ų9758.1 Ų58.152%0.51929%0.289SS..Hα-helixtrans-65.1-38.6178.3-68.5-19.7000111.9V155 A161 R162V155-D158 PolarHBondContact O-N 3.15Å; D158-A161 PolarHBondContact O-N 3.06Å; D158-R162 WeakPolarHBondContact O-CG 3.22Å; D158-R162 PolarHBondContact O-N 3.37Å
159Y94.5Very high90.8Very high31 Ų3156.4 Ų56.412%0.12228%0.282CS..Hα-helixtrans-70-39.2177.7-76.723.7000111.1L78 G79 G128 P129 P130 V155 Y157 R162 L163L78-Y159 HydrophobicContact CB-CD2 4.2Å; L78-Y159 HydrophobicContact CD2-CD2 4.46Å; G79-Y159 WeakPolarHBondContact O-CE2 3.5Å; G128-Y159 WeakPolarHBondContact O-CE2 3.22Å; P129-Y159 VanDerWaalsContact CA-CZ 3.45Å; P129-Y159 HydrophobicContact CB-CD1 3.86Å; P129-Y159 HydrophobicContact CB-CE1 3.47Å; P129-Y159 VanDerWaalsContact CB-CE1 3.47Å; P129-Y159 HydrophobicContact CG-CE1 4.48Å; P130-Y159 VanDerWaalsContact CG-O 3.32Å; P130-Y159 WeakPolarHBondContact CG-O 3.32Å; V155-Y159 HydrophobicContact CG1-CD1 3.7Å; V155-Y159 HydrophobicContact CG1-CD2 4.1Å; V155-Y159 HydrophobicContact CG1-CE1 3.41Å; V155-Y159 VanDerWaalsContact CG1-CE1 3.41Å; V155-Y159 HydrophobicContact CG1-CE2 3.84Å; V155-Y159 HydrophobicContact CG1-CG 4.04Å; V155-Y159 VanDerWaalsContact CG1-CZ 3.48Å; V155-Y159 WeakPolarHBondContact O-CB 3.46Å; V155-Y159 WeakPolarHBondContact O-CD1 3.33Å; V155-Y159 PolarHBondContact O-N 3.26Å; Y157-Y159 VanDerWaalsContact C-N 3.35Å; Y157-Y159 PolarHBondContact O-N 3.26Å; Y159-R162 PolarHBondContact O-N 3.18Å; Y159-L163 WeakPolarHBondContact O-CB 3.24Å; Y159-L163 PolarHBondContact O-N 3.49Å
160Y93.5Very high90.5Very high35 Ų3559.2 Ų59.214%0.13730%0.304CS..Hα-helixtrans-63.9-43.2171.8173.8-98.1000112.2F143 V156 Y157 R162 L163 S164 T169 I174 L203 K204F143-Y160 HydrophobicContact CE2-CD2 4.16Å; F143-Y160 HydrophobicContact CZ-CD2 4.2Å; V156-Y160 WeakPolarHBondContact O-CB 3.4Å; V156-Y160 PolarHBondContact O-N 2.88Å; Y157-Y160 PolarHBondContact O-N 3.05Å; Y160-R162 PolarHBondContact O-N 2.99Å; Y160-L163 PolarHBondContact O-N 3.22Å; Y160-S164 PolarHBondContact O-N 3.07Å; Y160-T169 HydrophobicContact CE2-CG2 3.97Å; Y160-I174 HydrophobicContact CD2-CD1 4.1Å; Y160-I174 HydrophobicContact CE2-CD1 3.7Å; Y160-L203 HydrophobicContact CD1-CD2 3.56Å; Y160-L203 HydrophobicContact CD2-CD2 3.59Å; Y160-L203 HydrophobicContact CE1-CD2 4.06Å; Y160-L203 HydrophobicContact CE2-CD2 4.1Å; Y160-L203 HydrophobicContact CG-CD2 3.29Å; Y160-K204 WeakPolarHBondContact OH-CE 3.35Å
161A91.9Very high90Very high40 Ų4058.6 Ų58.633%0.33130%0.304SS..Hα-helixtrans-58.3-48.3175.400000111Y157 D158 S164 T165Y157-A161 WeakPolarHBondContact O-CB 3.41Å; Y157-A161 PolarHBondContact O-N 3.21Å; D158-A161 PolarHBondContact O-N 3.06Å; A161-S164 PolarHBondContact O-N 2.89Å; A161-S164 PolarHBondContact O-OG 2.89Å; A161-T165 PolarHBondContact O-N 3.33Å
162R92Very high89.8Confident100 Ų10053.6 Ų53.638%0.37728%0.28SS..Hα-helixtrans-60.4-47.1175.3-76.8-178.357.8148.1-6.6113.1P129 P130 D158 Y159 Y160 S164 T165 Y166P129-R162 VanDerWaalsContact CB-CZ 3.49Å; P130-R162 HydrophobicContact CG-CB 4.05Å; P130-R162 PolarHBondContact O-NE 3.48Å; P130-R162 PolarHBondContact O-NH2 2.8Å; D158-R162 WeakPolarHBondContact O-CG 3.22Å; D158-R162 PolarHBondContact O-N 3.37Å; Y159-R162 PolarHBondContact O-N 3.18Å; Y160-R162 PolarHBondContact O-N 2.99Å; R162-S164 PolarHBondContact O-N 3.23Å; R162-T165 PolarHBondContact O-N 3.34Å; R162-T165 PolarHBondContact O-OG1 2.83Å; R162-Y166 WeakPolarHBondContact O-CD2 3.25Å
163L92Very high89.9Confident0 Ų054.3 Ų54.30%029%0.285CS..Hα-helixtrans-54.9-39.5175.6179.961.2000111.5L78 P130 S135 V141 F143 Y159 Y160 T165 Y166 R167 T169 L172L78-L163 HydrophobicContact CD1-CD2 4.35Å; P130-L163 HydrophobicContact CG-CB 4.22Å; S135-L163 WeakPolarHBondContact OG-CD1 3.38Å; V141-L163 HydrophobicContact CG1-CD2 4.43Å; V141-L163 HydrophobicContact CG2-CD2 4.21Å; F143-L163 HydrophobicContact CE2-CD2 4.28Å; F143-L163 HydrophobicContact CZ-CD2 3.88Å; Y159-L163 WeakPolarHBondContact O-CB 3.24Å; Y159-L163 PolarHBondContact O-N 3.49Å; Y160-L163 PolarHBondContact O-N 3.22Å; L163-T165 VanDerWaalsContact C-N 3.29Å; L163-T165 PolarHBondContact O-N 3.41Å; L163-Y166 PolarHBondContact O-N 3.33Å; L163-R167 PolarHBondContact O-N 2.85Å; L163-R167 VanDerWaalsContact O-N 3.15Å; L163-T169 HydrophobicContact CG-CG2 4.34Å; L163-L172 HydrophobicContact CD1-CD2 4.44Å; L163-L172 HydrophobicContact CD2-CD2 3.84Å; L163-L172 HydrophobicContact CG-CD2 4.4Å
164S89.8Confident89.9Confident56 Ų5653.4 Ų53.439%0.39228%0.282SS..Hα-helixtrans-69.3-19.6178.480.90000115Y160 A161 R162Y160-S164 PolarHBondContact O-N 3.07Å; A161-S164 PolarHBondContact O-N 2.89Å; A161-S164 PolarHBondContact O-OG 2.89Å; R162-S164 PolarHBondContact O-N 3.23Å
165T91.2Very high90Very high102 Ų10247.8 Ų47.863%0.62626%0.256SS*.Hα-helixtrans-77.3-2717467.90000113A161 R162 L163A161-T165 PolarHBondContact O-N 3.33Å; R162-T165 PolarHBondContact O-N 3.34Å; R162-T165 PolarHBondContact O-OG1 2.83Å; L163-T165 VanDerWaalsContact C-N 3.29Å; L163-T165 PolarHBondContact O-N 3.41Å
166Y89.5Confident90.2Very high89 Ų8946.1 Ų46.135%0.34925%0.246SC..Hα-helixtrans-96.4-25-177.5-59.8-51000113.7L132 S135 R162 L163L132-Y166 HydrophobicContact CB-CD1 4.28Å; L132-Y166 HydrophobicContact CB-CE1 4.42Å; L132-Y166 HydrophobicContact CD1-CD1 3.77Å; L132-Y166 HydrophobicContact CD1-CG 4.14Å; S135-Y166 WeakPolarHBondContact OG-CD2 3.22Å; R162-Y166 WeakPolarHBondContact O-CD2 3.25Å; L163-Y166 PolarHBondContact O-N 3.33Å
167R87.6Confident90.3Very high33 Ų3346.1 Ų46.113%0.12525%0.246CC..SBendtrans-152.2143.6-178.8179.2169.4173.6171.2-7.5111.8S135 V138 L163 T169 S171S135-R167 WeakPolarHBondContact O-CD 3.49Å; S135-R167 PolarHBondContact O-NH1 2.92Å; V138-R167 VanDerWaalsContact O-CZ 3.32Å; V138-R167 PolarHBondContact O-NH1 3.17Å; V138-R167 PolarHBondContact O-NH2 2.89Å; L163-R167 PolarHBondContact O-N 2.85Å; L163-R167 VanDerWaalsContact O-N 3.15Å; R167-T169 PolarHBondContact O-N 2.96Å; R167-T169 VanDerWaalsContact O-N 3.07Å; R167-S171 PolarHBondContact NH2-O 3.48Å
168S82.3Confident90.4Very high70 Ų7039.4 Ų39.449%0.4922%0.22SC..  trans-61.9114.3168.9-1760000110.5S170 S171S168-S170 PolarHBondContact O-N 2.92Å; S168-S170 PolarHBondContact OG-N 3.35Å; S168-S170 PolarHBondContact OG-OG 2.99Å; S168-S171 PolarHBondContact O-N 3.07Å; S168-S171 PolarHBondContact O-OG 3.15Å
169T82.4Confident90.5Very high14 Ų1434.9 Ų34.99%0.08620%0.196CC..THydrogen-bonded Turntrans-69.613.2175520000113.1Y160 L163 R167 I174 K204Y160-T169 HydrophobicContact CE2-CG2 3.97Å; L163-T169 HydrophobicContact CG-CG2 4.34Å; R167-T169 PolarHBondContact O-N 2.96Å; R167-T169 VanDerWaalsContact O-N 3.07Å; T169-I174 HydrophobicContact CG2-CD1 4.43Å; T169-K204 PolarHBondContact O-NZ 2.9Å; T169-K204 WeakPolarHBondContact OG1-CE 3.5Å; T169-K204 PolarHBondContact OG1-NZ 3.46Å
170S80.4Confident90.2Very high87 Ų8736 Ų3661%0.60820%0.202SC*.THydrogen-bonded Turntrans-87.8-21173.364.50000113.2S168S168-S170 PolarHBondContact O-N 2.92Å; S168-S170 PolarHBondContact OG-N 3.35Å; S168-S170 PolarHBondContact OG-OG 2.99Å
171S80.8Confident89.3Confident31 Ų3135 Ų3522%0.21720%0.199CC..SBendtrans-112.337.7-179.857.30000112R167 S168 P240R167-S171 PolarHBondContact NH2-O 3.48Å; S168-S171 PolarHBondContact O-N 3.07Å; S168-S171 PolarHBondContact O-OG 3.15Å; S171-P240 VanDerWaalsContact CB-CG 3.49Å; S171-P240 WeakPolarHBondContact OG-CG 3.36Å
172L88.3Confident87.8Confident9 Ų934.8 Ų34.85%0.04720%0.195CC..SBendtrans-149.8117.5-174.5-166.577.9000108.5V138 D139 V141 L163V138-L172 HydrophobicContact CB-CD1 4.43Å; V138-L172 HydrophobicContact CG2-CD1 3.73Å; D139-L172 WeakPolarHBondContact O-CD1 3.43Å; V141-L172 HydrophobicContact CB-CD2 4.37Å; V141-L172 HydrophobicContact CG2-CD2 3.9Å; L163-L172 HydrophobicContact CD1-CD2 4.44Å; L163-L172 HydrophobicContact CD2-CD2 3.84Å; L163-L172 HydrophobicContact CG-CD2 4.4Å
173P92.7Very high86Confident16 Ų1635 Ų3510%0.10420%0.204CC..  trans-66.1137.7170.3-20.235.5000110.1D139 G140 V141 K229 I230 L233D139-P173 WeakPolarHBondContact O-CD 3.45Å; G140-P173 WeakPolarHBondContact CA-O 3.38Å; V141-P173 PolarHBondContact N-O 3.38Å; P173-K229 HydrophobicContact CB-CB 3.81Å; P173-K229 HydrophobicContact CG-CB 4.09Å; P173-I230 HydrophobicContact CG-CG1 3.86Å; P173-L233 HydrophobicContact CG-CD1 3.66Å; P173-L233 HydrophobicContact CG-CG 4.23Å
174I94.3Very high83.9Confident16 Ų1639.5 Ų39.58%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-126137.6178.6-62.8177.9000108.5V141 F143 Y160 T169 C206V141-I174 WeakPolarHBondContact O-CA 3.46Å; F143-I174 HydrophobicContact CD2-CG2 3.77Å; F143-I174 HydrophobicContact CE2-CG2 3.94Å; Y160-I174 HydrophobicContact CD2-CD1 4.1Å; Y160-I174 HydrophobicContact CE2-CD1 3.7Å; T169-I174 HydrophobicContact CG2-CD1 4.43Å; I174-C206 HydrophobicContact CB-CB 4.31Å; I174-C206 HydrophobicContact CG2-CB 4.03Å; I174-C206 VanDerWaalsContact O-CB 3.28Å; I174-C206 WeakPolarHBondContact O-CB 3.39Å
175I95.5Very high81.8Confident2 Ų246 Ų461%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-130.8144.1171.2-62.4178.9000108.1V141 I142 F143 V177 Y209 V222 D225 A226V141-I175 PolarHBondContact O-N 3.46Å; V141-I175 VanDerWaalsContact O-N 3.15Å; I142-I175 WeakPolarHBondContact CA-O 3.44Å; I142-I175 HydrophobicContact CG1-CB 4.44Å; F143-I175 PolarHBondContact N-O 3.05Å; I175-V177 HydrophobicContact CG2-CG2 4.2Å; I175-Y209 HydrophobicContact CG2-CD2 3.71Å; I175-Y209 HydrophobicContact CG2-CE2 3.97Å; I175-V222 HydrophobicContact CG2-CG1 4.42Å; I175-D225 HydrophobicContact CD1-CB 4.22Å; I175-D225 WeakPolarHBondContact CD1-OD2 3.4Å; I175-A226 HydrophobicContact CD1-CB 3.8Å
176L96.7Very high79.9Confident0 Ų046.6 Ų46.60%026%0.264CS..EExtended strand (participates in β ladder)trans-111.3135.5175.2-177.468.2000110.1F143 F145 V156 L199 A200 L203 A207 Y208 Y209F143-L176 HydrophobicContact CB-CD1 3.89Å; F143-L176 CarbonylContact O-C 3.56Å; F145-L176 HydrophobicContact CD1-CD1 3.84Å; F145-L176 HydrophobicContact CD1-CG 4.33Å; F145-L176 HydrophobicContact CE1-CD1 3.87Å; F145-L176 HydrophobicContact CE1-CD2 4.1Å; F145-L176 HydrophobicContact CE1-CG 3.85Å; V156-L176 HydrophobicContact CG1-CD1 3.96Å; L176-L199 HydrophobicContact CD1-CD2 4.17Å; L176-L199 HydrophobicContact CD2-CB 4.03Å; L176-L199 HydrophobicContact CD2-CD2 4Å; L176-L199 HydrophobicContact CD2-CG 3.85Å; L176-A200 HydrophobicContact CD2-CB 3.94Å; L176-L203 HydrophobicContact CD1-CD1 4.03Å; L176-L203 HydrophobicContact CD2-CD1 4.36Å; L176-A207 PolarHBondContact N-O 3.13Å; L176-Y208 HydrophobicContact CB-CD2 4.38Å; L176-Y208 HydrophobicContact CD2-CD2 4.08Å; L176-Y208 HydrophobicContact CG-CD2 4.1Å; L176-Y208 WeakPolarHBondContact O-CA 3.27Å; L176-Y209 PolarHBondContact O-N 3.34Å
177V96.4Very high78.4Confident0 Ų047.1 Ų47.10%027%0.266CS..EExtended strand (participates in β ladder)trans-130.5127.5-175.9178.70000110.8L88 I142 F143 V144 F145 I175 T179 Y209 T211 V222L88-V177 HydrophobicContact CD2-CG1 3.97Å; I142-V177 HydrophobicContact CG2-CB 4.32Å; I142-V177 HydrophobicContact CG2-CG2 3.54Å; F143-V177 PolarHBondContact O-N 3.31Å; V144-V177 WeakPolarHBondContact CA-O 3.41Å; V144-V177 HydrophobicContact CG1-CB 4.48Å; V144-V177 HydrophobicContact CG1-CG1 4.4Å; V144-V177 HydrophobicContact CG2-CB 4.49Å; F145-V177 WeakPolarHBondContact CD1-O 3.38Å; F145-V177 WeakPolarHBondContact CE1-O 3.5Å; F145-V177 PolarHBondContact N-O 2.77Å; I175-V177 HydrophobicContact CG2-CG2 4.2Å; V177-T179 HydrophobicContact CG1-CG2 4.44Å; V177-Y209 WeakPolarHBondContact CA-O 3.48Å; V177-T211 HydrophobicContact CG1-CG2 3.75Å; V177-T211 WeakPolarHBondContact CG1-OG1 3.44Å; V177-V222 HydrophobicContact CG2-CG1 3.75Å; V177-V222 HydrophobicContact CG2-CG2 4.19Å
178G94.8Very high77.5Confident0 Ų049.9 Ų49.90%029%0.286CS..EExtended strand (participates in β ladder)trans-101.7120.5167.800000110.9F145 Y209 E210 T211F145-G178 CarbonylContact O-C 3.3Å; F145-G178 WeakPolarHBondContact O-CA 3.25Å; G178-Y209 PolarHBondContact N-O 3.27Å; G178-E210 WeakPolarHBondContact O-CA 3.38Å; G178-T211 PolarHBondContact O-N 3.25Å
179T93.2Very high77.6Confident1 Ų150.6 Ų50.61%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-91151.217658.90000112S83 V144 F145 S146 L147 V177 T211S83-T179 WeakPolarHBondContact O-CG2 3.33Å; S83-T179 PolarHBondContact O-OG1 2.66Å; V144-T179 HydrophobicContact CG1-CG2 3.67Å; F145-T179 PolarHBondContact O-N 2.87Å; F145-T179 PolarHBondContact O-OG1 2.81Å; S146-T179 VanDerWaalsContact CA-OG1 3.31Å; S146-T179 WeakPolarHBondContact CA-OG1 3.41Å; L147-T179 WeakPolarHBondContact CB-O 3.34Å; L147-T179 WeakPolarHBondContact CG-O 3.38Å; L147-T179 PolarHBondContact N-O 2.91Å; V177-T179 HydrophobicContact CG1-CG2 4.44Å; T179-T211 WeakPolarHBondContact CA-O 3.28Å
180Q88.2Confident77.8Confident54 Ų5452.8 Ų52.825%0.25229%0.291SS..  trans-138.770.6174.344146.795.900108.4L147 Y187 T211 C212L147-Q180 HydrophobicContact CD1-CB 4.13Å; L147-Q180 HydrophobicContact CD1-CG 4.39Å; Q180-Y187 HydrophobicContact CB-CE2 4.26Å; Q180-T211 VanDerWaalsContact CG-O 3.31Å; Q180-T211 WeakPolarHBondContact CG-O 3.27Å; Q180-T211 PolarHBondContact N-O 3.37Å; Q180-T211 VanDerWaalsContact N-O 3.14Å; Q180-C212 HydrophobicContact CG-CB 4.02Å; Q180-C212 PolarHBondContact O-SG 3.28Å
181D74.6Confident78.3Confident16 Ų1648.6 Ų48.69%0.08626%0.262CS..  trans-106.74.3-167.2-70-24.9000114.2Y97 C212 A213Y97-D181 HydrophobicContact CE2-CB 4.36Å; Y97-D181 PolarHBondContact OH-O 2.93Å; D181-C212 VanDerWaalsContact OD1-CA 3.31Å; D181-C212 WeakPolarHBondContact OD1-CA 3.26Å; D181-A213 PolarHBondContact OD1-N 3.01Å; D181-A213 WeakPolarHBondContact OD2-CB 3.43Å
182S61.2Low78.7Confident34 Ų3450.2 Ų50.224%0.23827%0.268CS..  trans-81.5128.9173.780.80000111.9E148E148-S182 PolarHBondContact OE1-OG 2.84Å; E148-S182 WeakPolarHBondContact OE2-CB 3.35Å; E148-S182 PolarHBondContact OE2-OG 2.84Å
183N54.3Low78.8Confident106 Ų10652.5 Ų52.557%0.56728%0.281SS*.  trans-9425.5170.1-63.1-40.2000111.1
184C47.1Very low78.7Confident93 Ų9355 Ų5563%0.62830%0.302SS*.  trans-105102-171-69.50000110.6P186 Y187C184-P186 CarbonylContact O-C 3.57Å; C184-P186 VanDerWaalsContact O-C 3.3Å; C184-Y187 PolarHBondContact O-N 2.78Å
185E46.4Very low78.6Confident194 Ų19458.2 Ų58.291%0.90731%0.313SS*.SBendtrans-68.1139.9166.5-76.5-162.712800111.3
186P50.7Low78.5Confident113 Ų11358.1 Ų58.173%0.73431%0.313SS*.SBendcis-81.2129-532.2-32.6000112.1C184 V188C184-P186 CarbonylContact O-C 3.57Å; C184-P186 VanDerWaalsContact O-C 3.3Å; P186-V188 PolarHBondContact O-N 2.74Å
187Y58Low78.3Confident101 Ų10164.3 Ų64.340%0.39634%0.336SS..PPolyproline II helixtrans-65.6122.6171.9167.5-104.6000110.6E148 Q180 C184 R189E148-Y187 HydrophobicContact CG-CD2 4.26Å; E148-Y187 HydrophobicContact CG-CE2 3.94Å; E148-Y187 WeakPolarHBondContact OE1-CE2 3.18Å; Q180-Y187 HydrophobicContact CB-CE2 4.26Å; C184-Y187 PolarHBondContact O-N 2.78Å; Y187-R189 HydrophobicContact CE1-CB 4Å
188V68.3Low78Confident91 Ų9170.6 Ų70.655%0.55236%0.363SS*.  trans-121.296.2180-177.20000110.1P186 V190P186-V188 PolarHBondContact O-N 2.74Å; V188-V190 HydrophobicContact CG1-CG2 4.35Å; V188-V190 PolarHBondContact O-N 3.43Å
189R85.3Confident77.9Confident85 Ų8570.9 Ų70.932%0.32137%0.365SS..  trans-67.3111.8171.3-178.6170.2177148.45.5110.4L147 Y187 I191 E210L147-R189 HydrophobicContact CB-CG 4.45Å; Y187-R189 HydrophobicContact CE1-CB 4Å; R189-I191 WeakPolarHBondContact CG-O 3.29Å; R189-I191 PolarHBondContact NE-O 3.48Å; R189-I191 PolarHBondContact NH2-O 3.31Å; R189-E210 IonicContact CZ-OE1 3.76Å; R189-E210 IonicContact CZ-OE2 3.86Å; R189-E210 IonicContact NH1-OE1 2.68Å; R189-E210 PolarHBondContact NH1-OE1 2.72Å; R189-E210 IonicContact NH1-OE2 3.79Å; R189-E210 PolarHBondContact NH1-OE2 2.85Å; R189-E210 IonicContact NH2-OE1 3.38Å; R189-E210 PolarHBondContact NH2-OE1 2.89Å; R189-E210 IonicContact NH2-OE2 3.73Å
190V86.9Confident77.9Confident59 Ų5971.1 Ų71.136%0.35837%0.367SS..  trans-91.6-25.7-178.3178.20000112.2L147 E148 I150 V188 R195L147-V190 PolarHBondContact O-N 2.79Å; E148-V190 VanDerWaalsContact O-CG2 3.24Å; E148-V190 WeakPolarHBondContact O-CG2 3.09Å; I150-V190 HydrophobicContact CB-CG1 4.04Å; V188-V190 HydrophobicContact CG1-CG2 4.35Å; V188-V190 PolarHBondContact O-N 3.43Å; V190-R195 PolarHBondContact O-NH1 2.88Å; V190-R195 PolarHBondContact O-NH2 3.35Å; V190-R195 VanDerWaalsContact O-NH2 3.15Å
191I90.1Very high78Confident0 Ų072.9 Ų72.90%038%0.378CS..SBendtrans-108.8112.6179.6-65.3137.3000110.1F145 S146 L147 I150 Y153 R189 R195 A196F145-I191 HydrophobicContact CD2-CD1 3.95Å; F145-I191 HydrophobicContact CE2-CB 4.42Å; F145-I191 HydrophobicContact CE2-CD1 4.1Å; F145-I191 HydrophobicContact CE2-CG2 3.88Å; F145-I191 HydrophobicContact CZ-CG2 4.47Å; S146-I191 WeakPolarHBondContact O-CD1 3.29Å; L147-I191 HydrophobicContact CD2-CB 4.41Å; L147-I191 HydrophobicContact CD2-CG2 4.4Å; L147-I191 PolarHBondContact O-N 3.26Å; I150-I191 HydrophobicContact CD1-CD1 4.43Å; I150-I191 HydrophobicContact CD1-CG1 3.92Å; Y153-I191 HydrophobicContact CD2-CD1 4.32Å; Y153-I191 HydrophobicContact CD2-CG1 4.27Å; Y153-I191 HydrophobicContact CD2-CG2 3.94Å; Y153-I191 HydrophobicContact CE2-CG2 4.21Å; Y153-I191 HydrophobicContact CG-CD1 4.13Å; Y153-I191 HydrophobicContact CG-CG1 4.22Å; R189-I191 WeakPolarHBondContact CG-O 3.29Å; R189-I191 PolarHBondContact NE-O 3.48Å; R189-I191 PolarHBondContact NH2-O 3.31Å; I191-R195 HydrophobicContact CG2-CB 4.47Å; I191-A196 HydrophobicContact CG2-CB 4.28Å
192D89.5Confident78.7Confident65 Ų6576.6 Ų76.635%0.34840%0.398SS..  trans-72.1156.8174.36388.1000112.4A194 R195 A196D192-A194 VanDerWaalsContact C-N 3.3Å; D192-A194 PolarHBondContact O-N 3.02Å; D192-A194 WeakPolarHBondContact OD1-CB 3.48Å; D192-A194 PolarHBondContact OD1-N 3.08Å; D192-R195 WeakPolarHBondContact O-CB 3.34Å; D192-R195 PolarHBondContact O-N 3.04Å; D192-R195 WeakPolarHBondContact OD1-CB 3.42Å; D192-R195 PolarHBondContact OD1-N 3.27Å; D192-R195 WeakPolarHBondContact OD2-CB 3.47Å; D192-R195 IonicContact OD2-CZ 3.17Å; D192-R195 IonicContact OD2-NE 2.91Å; D192-R195 PolarHBondContact OD2-NE 3.24Å; D192-R195 IonicContact OD2-NH2 2.68Å; D192-R195 PolarHBondContact OD2-NH2 3.23Å; D192-A196 PolarHBondContact O-N 3.15Å; D192-A196 VanDerWaalsContact O-N 3.1Å
193D90.3Very high80Confident57 Ų5775.1 Ų75.131%0.30539%0.387SS..Hα-helixtrans-61.2-35-178.8171.282.9000112.8A196 R197D193-A196 PolarHBondContact O-N 3.38Å; D193-R197 WeakPolarHBondContact O-CB 3.48Å; D193-R197 WeakPolarHBondContact O-CG 3.32Å; D193-R197 PolarHBondContact O-N 3.08Å; D193-R197 IonicContact OD1-CZ 2.8Å; D193-R197 IonicContact OD1-NE 3.67Å; D193-R197 PolarHBondContact OD1-NE 3.5Å; D193-R197 IonicContact OD1-NH2 3.67Å; D193-R197 PolarHBondContact OD1-NH2 3.26Å; D193-R197 IonicContact OD2-CZ 3.44Å; D193-R197 IonicContact OD2-NE 3.37Å; D193-R197 PolarHBondContact OD2-NE 3.47Å; D193-R197 IonicContact OD2-NH2 2.68Å
194A90.8Very high81.2Confident67 Ų6775 Ų7555%0.55438%0.382SS*.Hα-helixtrans-67.4-39.7178.900000111.7D192 K198D192-A194 VanDerWaalsContact C-N 3.3Å; D192-A194 PolarHBondContact O-N 3.02Å; D192-A194 WeakPolarHBondContact OD1-CB 3.48Å; D192-A194 PolarHBondContact OD1-N 3.08Å; A194-K198 WeakPolarHBondContact O-CB 3.41Å; A194-K198 PolarHBondContact O-N 2.99Å
195R92.5Very high82.8Confident84 Ų8480.4 Ų80.432%0.31739%0.389SS..Hα-helixtrans-63.7-44.1173.5-166.1-171.7-44.1169.310.3111.6Y153 V190 I191 D192 K198 L199Y153-R195 HydrophobicContact CE1-CG 4.42Å; Y153-R195 HydrophobicContact CE2-CG 4.16Å; Y153-R195 PolarHBondContact OH-O 2.87Å; V190-R195 PolarHBondContact O-NH1 2.88Å; V190-R195 PolarHBondContact O-NH2 3.35Å; V190-R195 VanDerWaalsContact O-NH2 3.15Å; I191-R195 HydrophobicContact CG2-CB 4.47Å; D192-R195 WeakPolarHBondContact O-CB 3.34Å; D192-R195 PolarHBondContact O-N 3.04Å; D192-R195 WeakPolarHBondContact OD1-CB 3.42Å; D192-R195 PolarHBondContact OD1-N 3.27Å; D192-R195 WeakPolarHBondContact OD2-CB 3.47Å; D192-R195 IonicContact OD2-CZ 3.17Å; D192-R195 IonicContact OD2-NE 2.91Å; D192-R195 PolarHBondContact OD2-NE 3.24Å; D192-R195 IonicContact OD2-NH2 2.68Å; D192-R195 PolarHBondContact OD2-NH2 3.23Å; R195-K198 WeakPolarHBondContact O-CB 3.27Å; R195-K198 PolarHBondContact O-N 2.91Å; R195-L199 PolarHBondContact O-N 2.87Å
196A92.4Very high84.8Confident0 Ų072 Ų720%035%0.352CS..Hα-helixtrans-65.3-44.717600000112.8F145 I191 D192 D193 K198 L199 A200 Y208F145-A196 HydrophobicContact CZ-CB 3.91Å; I191-A196 HydrophobicContact CG2-CB 4.28Å; D192-A196 PolarHBondContact O-N 3.15Å; D192-A196 VanDerWaalsContact O-N 3.1Å; D193-A196 PolarHBondContact O-N 3.38Å; A196-K198 VanDerWaalsContact C-N 3.29Å; A196-K198 PolarHBondContact O-N 2.94Å; A196-L199 PolarHBondContact O-N 3.06Å; A196-A200 PolarHBondContact O-N 2.93Å; A196-Y208 HydrophobicContact CB-CD2 4.48Å; A196-Y208 HydrophobicContact CB-CE1 3.83Å; A196-Y208 HydrophobicContact CB-CE2 3.76Å; A196-Y208 VanDerWaalsContact CB-OH 3.31Å; A196-Y208 WeakPolarHBondContact CB-OH 3.25Å
197R92.6Very high86.7Confident131 Ų13167.9 Ų67.949%0.49433%0.327SS..Hα-helixtrans-64.9-31.2173.3-70.7-177.4-159.1-81.5-18112.6D193 A200 N201 Y208D193-R197 WeakPolarHBondContact O-CB 3.48Å; D193-R197 WeakPolarHBondContact O-CG 3.32Å; D193-R197 PolarHBondContact O-N 3.08Å; D193-R197 IonicContact OD1-CZ 2.8Å; D193-R197 IonicContact OD1-NE 3.67Å; D193-R197 PolarHBondContact OD1-NE 3.5Å; D193-R197 IonicContact OD1-NH2 3.67Å; D193-R197 PolarHBondContact OD1-NH2 3.26Å; D193-R197 IonicContact OD2-CZ 3.44Å; D193-R197 IonicContact OD2-NE 3.37Å; D193-R197 PolarHBondContact OD2-NE 3.47Å; D193-R197 IonicContact OD2-NH2 2.68Å; R197-A200 PolarHBondContact O-N 3Å; R197-N201 PolarHBondContact O-N 3.44Å; R197-N201 PolarHBondContact O-ND2 3.41Å; R197-Y208 HydrophobicContact CG-CD1 4.08Å
198K92Very high88.5Confident131 Ų13164.5 Ų64.557%0.5731%0.313SS*.Hα-helixtrans-62.9-51.2171.9-171.6-169170.1-171.20110.3A194 R195 A196 A200 N201 D202A194-K198 WeakPolarHBondContact O-CB 3.41Å; A194-K198 PolarHBondContact O-N 2.99Å; R195-K198 WeakPolarHBondContact O-CB 3.27Å; R195-K198 PolarHBondContact O-N 2.91Å; A196-K198 VanDerWaalsContact C-N 3.29Å; A196-K198 PolarHBondContact O-N 2.94Å; K198-A200 VanDerWaalsContact C-N 3.26Å; K198-A200 PolarHBondContact O-N 3.4Å; K198-N201 WeakPolarHBondContact O-CB 3.23Å; K198-N201 PolarHBondContact O-N 3.16Å; K198-D202 WeakPolarHBondContact CE-OD2 3.15Å; K198-D202 PolarHBondContact O-N 3.13Å
199L92.2Very high89.8Confident7 Ų762.6 Ų62.64%0.03730%0.297CS..Hα-helixtrans-55.7-41.8175.9-177.659.3000111.5Y153 V156 L176 R195 A196 N201 D202 L203Y153-L199 HydrophobicContact CD2-CD2 3.81Å; Y153-L199 HydrophobicContact CE2-CB 3.92Å; Y153-L199 HydrophobicContact CE2-CD2 3.49Å; Y153-L199 VanDerWaalsContact CE2-CD2 3.49Å; Y153-L199 HydrophobicContact CE2-CG 4.32Å; V156-L199 HydrophobicContact CB-CD2 4.32Å; V156-L199 HydrophobicContact CG1-CD2 4.02Å; L176-L199 HydrophobicContact CD1-CD2 4.17Å; L176-L199 HydrophobicContact CD2-CB 4.03Å; L176-L199 HydrophobicContact CD2-CD2 4Å; L176-L199 HydrophobicContact CD2-CG 3.85Å; R195-L199 PolarHBondContact O-N 2.87Å; A196-L199 PolarHBondContact O-N 3.06Å; L199-N201 VanDerWaalsContact C-N 3.34Å; L199-N201 PolarHBondContact O-N 3.1Å; L199-D202 PolarHBondContact O-N 3.18Å; L199-L203 HydrophobicContact CD1-CD1 3.91Å; L199-L203 HydrophobicContact CD1-CG 3.99Å; L199-L203 HydrophobicContact CG-CD1 3.8Å; L199-L203 HydrophobicContact CG-CG 4.29Å; L199-L203 WeakPolarHBondContact O-CB 3.05Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.48Å
200A92.6Very high90.2Very high5 Ų560.5 Ų60.54%0.04129%0.29CS..Hα-helixtrans-62-37.8175.700000113.7L176 A196 R197 K198 L203 R205 C206L176-A200 HydrophobicContact CD2-CB 3.94Å; A196-A200 PolarHBondContact O-N 2.93Å; R197-A200 PolarHBondContact O-N 3Å; K198-A200 VanDerWaalsContact C-N 3.26Å; K198-A200 PolarHBondContact O-N 3.4Å; A200-L203 CarbonylContact O-C 3.55Å; A200-R205 CarbonylContact O-C 3.56Å; A200-R205 WeakPolarHBondContact O-CA 3.34Å; A200-R205 PolarHBondContact O-N 3.25Å; A200-C206 VanDerWaalsContact CA-SG 3.59Å; A200-C206 PolarHBondContact O-N 3.22Å; A200-C206 PolarHBondContact O-SG 3.13Å
201N90.8Very high90.5Very high92 Ų9257.7 Ų57.749%0.49227%0.273SS..Hα-helixtrans-67.9-44.3174.4-80-69.2000112R197 K198 L199 L203 K204 R205R197-N201 PolarHBondContact O-N 3.44Å; R197-N201 PolarHBondContact O-ND2 3.41Å; K198-N201 WeakPolarHBondContact O-CB 3.23Å; K198-N201 PolarHBondContact O-N 3.16Å; L199-N201 VanDerWaalsContact C-N 3.34Å; L199-N201 PolarHBondContact O-N 3.1Å; N201-L203 VanDerWaalsContact C-N 3.3Å; N201-L203 PolarHBondContact O-N 2.98Å; N201-K204 PolarHBondContact O-N 3.41Å; N201-R205 PolarHBondContact O-N 2.85Å
202D89.2Confident90.5Very high94 Ų9457.7 Ų57.750%0.50327%0.274SS..Hα-helixtrans-63.7-36.9177.9-64.1-22.4000110.9K198 L199 K204K198-D202 WeakPolarHBondContact CE-OD2 3.15Å; K198-D202 PolarHBondContact O-N 3.13Å; L199-D202 PolarHBondContact O-N 3.18Å; D202-K204 PolarHBondContact O-N 3.18Å
203L87.8Confident90.4Very high2 Ų254.6 Ų54.61%0.0126%0.257CS..THydrogen-bonded Turntrans-78.248.1171.6-62.3175.5000112.8V156 Y160 L176 L199 A200 N201 R205 C206V156-L203 HydrophobicContact CG1-CD1 3.81Å; Y160-L203 HydrophobicContact CD1-CD2 3.56Å; Y160-L203 HydrophobicContact CD2-CD2 3.59Å; Y160-L203 HydrophobicContact CE1-CD2 4.06Å; Y160-L203 HydrophobicContact CE2-CD2 4.1Å; Y160-L203 HydrophobicContact CG-CD2 3.29Å; L176-L203 HydrophobicContact CD1-CD1 4.03Å; L176-L203 HydrophobicContact CD2-CD1 4.36Å; L199-L203 HydrophobicContact CD1-CD1 3.91Å; L199-L203 HydrophobicContact CD1-CG 3.99Å; L199-L203 HydrophobicContact CG-CD1 3.8Å; L199-L203 HydrophobicContact CG-CG 4.29Å; L199-L203 WeakPolarHBondContact O-CB 3.05Å; L199-L203 WeakPolarHBondContact O-CG 3.39Å; L199-L203 PolarHBondContact O-N 3.48Å; A200-L203 CarbonylContact O-C 3.55Å; N201-L203 VanDerWaalsContact C-N 3.3Å; N201-L203 PolarHBondContact O-N 2.98Å; L203-R205 PolarHBondContact O-N 2.99Å; L203-C206 WeakPolarHBondContact O-CB 3.32Å; L203-C206 PolarHBondContact O-N 3.01Å
204K80.9Confident90.2Very high103 Ų10352.8 Ų52.845%0.44825%0.25SC..THydrogen-bonded Turntrans62.329.8178.2-54-166.2176.4-170.90116.2Y160 T169 N201 D202 C206Y160-K204 WeakPolarHBondContact OH-CE 3.35Å; T169-K204 PolarHBondContact O-NZ 2.9Å; T169-K204 WeakPolarHBondContact OG1-CE 3.5Å; T169-K204 PolarHBondContact OG1-NZ 3.46Å; N201-K204 PolarHBondContact O-N 3.41Å; D202-K204 PolarHBondContact O-N 3.18Å; K204-C206 VanDerWaalsContact C-N 3.28Å; K204-C206 PolarHBondContact O-N 2.68Å
205R79.2Confident89.8Confident208 Ų20858.3 Ų58.379%0.78526%0.258SS*.THydrogen-bonded Turntrans57.542.5-174.8-49.1179.4179.5-176.5-1.7111.7A200 N201 L203A200-R205 CarbonylContact O-C 3.56Å; A200-R205 WeakPolarHBondContact O-CA 3.34Å; A200-R205 PolarHBondContact O-N 3.25Å; N201-R205 PolarHBondContact O-N 2.85Å; L203-R205 PolarHBondContact O-N 2.99Å
206C87.8Confident89.5Confident18 Ų1855.7 Ų55.712%0.12226%0.256CS..  trans-61.9158.917466.90000111.1I174 A200 L203 K204I174-C206 HydrophobicContact CB-CB 4.31Å; I174-C206 HydrophobicContact CG2-CB 4.03Å; I174-C206 VanDerWaalsContact O-CB 3.28Å; I174-C206 WeakPolarHBondContact O-CB 3.39Å; A200-C206 VanDerWaalsContact CA-SG 3.59Å; A200-C206 PolarHBondContact O-N 3.22Å; A200-C206 PolarHBondContact O-SG 3.13Å; L203-C206 WeakPolarHBondContact O-CB 3.32Å; L203-C206 PolarHBondContact O-N 3.01Å; K204-C206 VanDerWaalsContact C-N 3.28Å; K204-C206 PolarHBondContact O-N 2.68Å
207A92.3Very high89.4Confident25 Ų2559.5 Ų59.521%0.20728%0.276CS..EExtended strand (participates in β ladder)trans-66.1141.5170.600000109.8L176 Y209L176-A207 PolarHBondContact N-O 3.13Å; A207-Y209 HydrophobicContact CB-CD2 4.39Å; A207-Y209 HydrophobicContact CB-CE2 3.63Å
208Y94.9Very high89.3Confident31 Ų3155.1 Ų55.112%0.12226%0.263CS..EExtended strand (participates in β ladder)trans-116.6132.1175.2173.2-119.3000110F145 L176 A196 R197 E210F145-Y208 HydrophobicContact CE1-CE2 4.06Å; F145-Y208 AromaticContact CZ-CE2 3.92Å; F145-Y208 HydrophobicContact CZ-CE2 3.92Å; L176-Y208 HydrophobicContact CB-CD2 4.38Å; L176-Y208 HydrophobicContact CD2-CD2 4.08Å; L176-Y208 HydrophobicContact CG-CD2 4.1Å; L176-Y208 WeakPolarHBondContact O-CA 3.27Å; A196-Y208 HydrophobicContact CB-CD2 4.48Å; A196-Y208 HydrophobicContact CB-CE1 3.83Å; A196-Y208 HydrophobicContact CB-CE2 3.76Å; A196-Y208 VanDerWaalsContact CB-OH 3.31Å; A196-Y208 WeakPolarHBondContact CB-OH 3.25Å; R197-Y208 HydrophobicContact CG-CD1 4.08Å; Y208-E210 HydrophobicContact CE1-CG 3.88Å; Y208-E210 HydrophobicContact CE2-CG 4.47Å; Y208-E210 WeakPolarHBondContact OH-CG 3.03Å; Y208-E210 PolarHBondContact OH-OE1 3.19Å
209Y95.8Very high89.4Confident51 Ų5149 Ų4920%0.224%0.237CC..EExtended strand (participates in β ladder)trans-131.7138.3176.3-62.7-82.3000111I175 L176 V177 G178 A207 R221 V222 D225I175-Y209 HydrophobicContact CG2-CD2 3.71Å; I175-Y209 HydrophobicContact CG2-CE2 3.97Å; L176-Y209 PolarHBondContact O-N 3.34Å; V177-Y209 WeakPolarHBondContact CA-O 3.48Å; G178-Y209 PolarHBondContact N-O 3.27Å; A207-Y209 HydrophobicContact CB-CD2 4.39Å; A207-Y209 HydrophobicContact CB-CE2 3.63Å; Y209-R221 HydrophobicContact CE1-CG 4.23Å; Y209-V222 HydrophobicContact CD1-CG2 4.43Å; Y209-V222 HydrophobicContact CD2-CG2 3.77Å; Y209-V222 HydrophobicContact CG-CG2 3.7Å; Y209-D225 PolarHBondContact OH-OD2 2.7Å
210E93.9Very high89.4Confident40 Ų4052.5 Ų52.519%0.18725%0.253CS..EExtended strand (participates in β ladder)trans-92.6127.3163.8-66.3-173.9-18000108.4L147 G178 R189 Y208 N218L147-E210 HydrophobicContact CD1-CG 4.21Å; G178-E210 WeakPolarHBondContact O-CA 3.38Å; R189-E210 IonicContact CZ-OE1 3.76Å; R189-E210 IonicContact CZ-OE2 3.86Å; R189-E210 IonicContact NH1-OE1 2.68Å; R189-E210 PolarHBondContact NH1-OE1 2.72Å; R189-E210 IonicContact NH1-OE2 3.79Å; R189-E210 PolarHBondContact NH1-OE2 2.85Å; R189-E210 IonicContact NH2-OE1 3.38Å; R189-E210 PolarHBondContact NH2-OE1 2.89Å; R189-E210 IonicContact NH2-OE2 3.73Å; Y208-E210 HydrophobicContact CE1-CG 3.88Å; Y208-E210 HydrophobicContact CE2-CG 4.47Å; Y208-E210 WeakPolarHBondContact OH-CG 3.03Å; Y208-E210 PolarHBondContact OH-OE1 3.19Å; E210-N218 WeakPolarHBondContact O-CB 3.48Å; E210-N218 PolarHBondContact O-ND2 3.47Å
211T93Very high89.4Confident0 Ų059.4 Ų59.40%028%0.278CS..EExtended strand (participates in β ladder)trans-125.7153.3-176.455.30000111.4L88 V177 G178 T179 Q180 L217 N218 V222L88-T211 HydrophobicContact CD1-CG2 4.3Å; V177-T211 HydrophobicContact CG1-CG2 3.75Å; V177-T211 WeakPolarHBondContact CG1-OG1 3.44Å; G178-T211 PolarHBondContact O-N 3.25Å; T179-T211 WeakPolarHBondContact CA-O 3.28Å; Q180-T211 VanDerWaalsContact CG-O 3.31Å; Q180-T211 WeakPolarHBondContact CG-O 3.27Å; Q180-T211 PolarHBondContact N-O 3.37Å; Q180-T211 VanDerWaalsContact N-O 3.14Å; T211-L217 VanDerWaalsContact CA-O 3.25Å; T211-L217 WeakPolarHBondContact CA-O 3.3Å; T211-L217 WeakPolarHBondContact CB-O 3.48Å; T211-N218 HydrophobicContact CG2-CB 3.89Å; T211-V222 HydrophobicContact CG2-CG2 3.76Å
212C90.6Very high89.6Confident1 Ų155 Ų551%0.00725%0.254CS..BIsolated β-bridgetrans-134.8112169.9-175.60000108.4Q180 D181 A214 G216 L217Q180-C212 HydrophobicContact CG-CB 4.02Å; Q180-C212 PolarHBondContact O-SG 3.28Å; D181-C212 VanDerWaalsContact OD1-CA 3.31Å; D181-C212 WeakPolarHBondContact OD1-CA 3.26Å; C212-A214 PolarHBondContact O-N 2.92Å; C212-G216 CarbonylContact O-C 3.55Å; C212-G216 VanDerWaalsContact O-CA 3.25Å; C212-G216 WeakPolarHBondContact O-CA 3.07Å; C212-G216 PolarHBondContact O-N 3.04Å; C212-L217 HydrophobicContact CB-CB 3.86Å; C212-L217 PolarHBondContact N-O 2.89Å; C212-L217 PolarHBondContact O-N 3.34Å
213A87.9Confident89.9Confident0 Ų050.5 Ų50.50%023%0.23CC..THydrogen-bonded Turntrans-64.7-29.4174.400000111.4A87 R91 Y97 D181A87-A213 HydrophobicContact CB-CB 4.26Å; R91-A213 HydrophobicContact CB-CB 4.09Å; R91-A213 VanDerWaalsContact CD-O 3.27Å; R91-A213 WeakPolarHBondContact CD-O 3.43Å; R91-A213 WeakPolarHBondContact CG-O 3.19Å; R91-A213 PolarHBondContact NH1-O 2.85Å; Y97-A213 WeakPolarHBondContact CB-O 3.09Å; Y97-A213 VanDerWaalsContact CD2-C 3.4Å; Y97-A213 HydrophobicContact CD2-CB 3.71Å; Y97-A213 HydrophobicContact CE2-CB 4.02Å; D181-A213 PolarHBondContact OD1-N 3.01Å; D181-A213 WeakPolarHBondContact OD2-CB 3.43Å
214A84.9Confident90.1Very high18 Ų1854.3 Ų54.315%0.14925%0.248CC..THydrogen-bonded Turntrans-66-47.6178.200000113.1R91 Y97 C212R91-A214 PolarHBondContact NH1-O 2.79Å; Y97-A214 HydrophobicContact CD1-CB 4.19Å; Y97-A214 HydrophobicContact CD2-CB 4.14Å; Y97-A214 HydrophobicContact CE1-CB 4.25Å; Y97-A214 HydrophobicContact CE2-CB 4.17Å; Y97-A214 HydrophobicContact CG-CB 4.12Å; C212-A214 PolarHBondContact O-N 2.92Å
215Y83.1Confident90.7Very high184 Ų18451 Ų5172%0.72224%0.235SC*.THydrogen-bonded Turntrans-95.9-8.8178.5-60.5-67.8000114.3
216G85.6Confident91.4Very high28 Ų2841.2 Ų41.229%0.28920%0.199SC..THydrogen-bonded Turntrans80.513.7-175.900000114.7C212 N218C212-G216 CarbonylContact O-C 3.55Å; C212-G216 VanDerWaalsContact O-CA 3.25Å; C212-G216 WeakPolarHBondContact O-CA 3.07Å; C212-G216 PolarHBondContact O-N 3.04Å; G216-N218 PolarHBondContact O-N 2.94Å
217L89.6Confident91.7Very high80 Ų8040.4 Ų40.442%0.41919%0.193SC..BIsolated β-bridgetrans-61.2124.9-177.1179.164.8000111.2T211 C212 V219T211-L217 VanDerWaalsContact CA-O 3.25Å; T211-L217 WeakPolarHBondContact CA-O 3.3Å; T211-L217 WeakPolarHBondContact CB-O 3.48Å; C212-L217 HydrophobicContact CB-CB 3.86Å; C212-L217 PolarHBondContact N-O 2.89Å; C212-L217 PolarHBondContact O-N 3.34Å; L217-V219 PolarHBondContact O-N 2.91Å
218N92.3Very high91.6Very high39 Ų3942 Ų4221%0.20920%0.198CC..SBendtrans55.9-4.8179-72.5-47.8000117.5E210 T211 G216 E220 R221 V222E210-N218 WeakPolarHBondContact O-CB 3.48Å; E210-N218 PolarHBondContact O-ND2 3.47Å; T211-N218 HydrophobicContact CG2-CB 3.89Å; G216-N218 PolarHBondContact O-N 2.94Å; N218-E220 PolarHBondContact O-N 3.03Å; N218-R221 WeakPolarHBondContact O-CB 3.33Å; N218-R221 PolarHBondContact O-N 3.21Å; N218-R221 VanDerWaalsContact O-N 3.09Å; N218-R221 PolarHBondContact OD1-NH1 3Å; N218-V222 PolarHBondContact O-N 3.43Å
219V92.5Very high91.5Very high4 Ų443.2 Ų43.22%0.02420%0.204CC..Hα-helixtrans-51.8-58.1-173179.70000111.9L88 R91 L217 R221 V222 F223L88-V219 HydrophobicContact CD1-CB 4.26Å; L88-V219 HydrophobicContact CD1-CG1 3.92Å; L88-V219 HydrophobicContact CD1-CG2 3.78Å; R91-V219 HydrophobicContact CB-CG1 4.35Å; R91-V219 HydrophobicContact CG-CG1 4.23Å; R91-V219 HydrophobicContact CG-CG2 4.18Å; L217-V219 PolarHBondContact O-N 2.91Å; V219-R221 VanDerWaalsContact C-N 3.3Å; V219-R221 PolarHBondContact O-N 2.79Å; V219-V222 PolarHBondContact O-N 3.24Å; V219-F223 HydrophobicContact CG1-CE2 4.47Å; V219-F223 WeakPolarHBondContact O-CD2 3.45Å; V219-F223 PolarHBondContact O-N 2.81Å
220E92.5Very high91.3Very high80 Ų8041 Ų4137%0.37420%0.195SC..Hα-helixtrans-59.9-38.9-179.6-173.861.5-147.700112.3Y92 K110 N218 V222 F223 Q224Y92-E220 VanDerWaalsContact CD2-OE2 3.29Å; Y92-E220 WeakPolarHBondContact CD2-OE2 3.38Å; Y92-E220 WeakPolarHBondContact CE2-OE2 3.36Å; K110-E220 IonicContact NZ-OE2 2.74Å; N218-E220 PolarHBondContact O-N 3.03Å; E220-V222 PolarHBondContact O-N 2.61Å; E220-F223 PolarHBondContact O-N 2.93Å; E220-Q224 HydrophobicContact CG-CG 4.49Å; E220-Q224 VanDerWaalsContact CG-NE2 3.34Å; E220-Q224 WeakPolarHBondContact O-CB 3.32Å; E220-Q224 VanDerWaalsContact O-CG 3.29Å; E220-Q224 WeakPolarHBondContact O-CG 3.24Å; E220-Q224 PolarHBondContact O-N 3.18Å; E220-Q224 PolarHBondContact OE1-NE2 3.23Å
221R92.7Very high91Very high149 Ų14940.6 Ų40.656%0.56220%0.195SC*.Hα-helixtrans-63.5-39.5179.8176.5-178.8-73.6153.9-9.1112.3Y209 N218 V219 D225Y209-R221 HydrophobicContact CE1-CG 4.23Å; N218-R221 WeakPolarHBondContact O-CB 3.33Å; N218-R221 PolarHBondContact O-N 3.21Å; N218-R221 VanDerWaalsContact O-N 3.09Å; N218-R221 PolarHBondContact OD1-NH1 3Å; V219-R221 VanDerWaalsContact C-N 3.3Å; V219-R221 PolarHBondContact O-N 2.79Å; R221-D225 VanDerWaalsContact O-CB 3.31Å; R221-D225 WeakPolarHBondContact O-CB 3.23Å; R221-D225 PolarHBondContact O-N 3.04Å
222V95.3Very high90.8Very high0 Ų046.5 Ų46.50%022%0.222CC..Hα-helixtrans-62.5-48.6178.7167.40000111.1I142 I175 V177 Y209 T211 N218 V219 E220 A226I142-V222 HydrophobicContact CD1-CG1 3.92Å; I142-V222 HydrophobicContact CG1-CG1 4.47Å; I142-V222 HydrophobicContact CG2-CG1 4.38Å; I175-V222 HydrophobicContact CG2-CG1 4.42Å; V177-V222 HydrophobicContact CG2-CG1 3.75Å; V177-V222 HydrophobicContact CG2-CG2 4.19Å; Y209-V222 HydrophobicContact CD1-CG2 4.43Å; Y209-V222 HydrophobicContact CD2-CG2 3.77Å; Y209-V222 HydrophobicContact CG-CG2 3.7Å; T211-V222 HydrophobicContact CG2-CG2 3.76Å; N218-V222 PolarHBondContact O-N 3.43Å; V219-V222 PolarHBondContact O-N 3.24Å; E220-V222 PolarHBondContact O-N 2.61Å; V222-A226 WeakPolarHBondContact O-CB 3.22Å; V222-A226 PolarHBondContact O-N 3.39Å
223F94.9Very high90.6Very high0 Ų049.4 Ų49.40%024%0.237CC..Hα-helixtrans-69.2-37.2-179.4-77.2-89.8000112.3L75 L77 L88 V89 Y92 I123 I142 V219 E220 A226 C227L75-F223 HydrophobicContact CD2-CD1 3.51Å; L75-F223 HydrophobicContact CD2-CE1 3.86Å; L77-F223 HydrophobicContact CD1-CE1 4.31Å; L77-F223 HydrophobicContact CD2-CZ 4.17Å; L88-F223 HydrophobicContact CG-CE2 4.27Å; V89-F223 HydrophobicContact CG2-CZ 4.08Å; Y92-F223 VanDerWaalsContact CB-CE2 3.49Å; Y92-F223 HydrophobicContact CD1-CB 4.13Å; Y92-F223 AromaticContact CD1-CD1 3.49Å; Y92-F223 HydrophobicContact CD1-CD1 3.49Å; Y92-F223 VanDerWaalsContact CD1-CD1 3.49Å; Y92-F223 AromaticContact CD1-CD2 3.77Å; Y92-F223 HydrophobicContact CD1-CD2 3.77Å; Y92-F223 AromaticContact CD1-CE1 3.73Å; Y92-F223 HydrophobicContact CD1-CE1 3.73Å; Y92-F223 AromaticContact CD1-CE2 3.99Å; Y92-F223 HydrophobicContact CD1-CE2 3.99Å; Y92-F223 AromaticContact CD1-CG 3.52Å; Y92-F223 HydrophobicContact CD1-CG 3.52Å; Y92-F223 AromaticContact CD1-CZ 3.97Å; Y92-F223 HydrophobicContact CD1-CZ 3.97Å; Y92-F223 HydrophobicContact CD2-CB 3.77Å; Y92-F223 AromaticContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CD2 3.62Å; Y92-F223 HydrophobicContact CD2-CE2 4.35Å; Y92-F223 AromaticContact CD2-CG 3.73Å; Y92-F223 HydrophobicContact CD2-CG 3.73Å; Y92-F223 HydrophobicContact CE1-CB 3.8Å; Y92-F223 AromaticContact CE1-CD1 3.53Å; Y92-F223 HydrophobicContact CE1-CD1 3.53Å; Y92-F223 HydrophobicContact CE1-CD2 4.31Å; Y92-F223 HydrophobicContact CE1-CE1 4.17Å; Y92-F223 AromaticContact CE1-CG 3.63Å; Y92-F223 HydrophobicContact CE1-CG 3.63Å; Y92-F223 HydrophobicContact CE2-CB 3.4Å; Y92-F223 VanDerWaalsContact CE2-CB 3.4Å; Y92-F223 HydrophobicContact CE2-CD2 4.19Å; Y92-F223 AromaticContact CE2-CG 3.84Å; Y92-F223 HydrophobicContact CE2-CG 3.84Å; Y92-F223 HydrophobicContact CG-CB 4.11Å; Y92-F223 HydrophobicContact CG-CD1 4.02Å; Y92-F223 AromaticContact CG-CD2 3.37Å; Y92-F223 HydrophobicContact CG-CD2 3.37Å; Y92-F223 HydrophobicContact CG-CE1 4.29Å; Y92-F223 AromaticContact CG-CE2 3.68Å; Y92-F223 HydrophobicContact CG-CE2 3.68Å; Y92-F223 AromaticContact CG-CG 3.57Å; Y92-F223 HydrophobicContact CG-CG 3.57Å; Y92-F223 HydrophobicContact CG-CZ 4.13Å; Y92-F223 VanDerWaalsContact CZ-CB 3.41Å; Y92-F223 AromaticContact CZ-CG 3.78Å; I123-F223 HydrophobicContact CD1-CD1 4.44Å; I123-F223 HydrophobicContact CD1-CE1 4.11Å; I142-F223 HydrophobicContact CD1-CD1 4.29Å; I142-F223 HydrophobicContact CD1-CE1 4.21Å; V219-F223 HydrophobicContact CG1-CE2 4.47Å; V219-F223 WeakPolarHBondContact O-CD2 3.45Å; V219-F223 PolarHBondContact O-N 2.81Å; E220-F223 PolarHBondContact O-N 2.93Å; F223-A226 PolarHBondContact O-N 3.35Å; F223-C227 PolarHBondContact O-N 3.19Å; F223-C227 VanDerWaalsContact O-N 3.08Å; F223-C227 PolarHBondContact O-SG 2.97Å
224Q92.5Very high90.4Very high82 Ų8253.3 Ų53.338%0.38325%0.252SS..Hα-helixtrans-64.2-47.6174.9-72.2179.1400112.1E220 A226 C227 L228E220-Q224 HydrophobicContact CG-CG 4.49Å; E220-Q224 VanDerWaalsContact CG-NE2 3.34Å; E220-Q224 WeakPolarHBondContact O-CB 3.32Å; E220-Q224 VanDerWaalsContact O-CG 3.29Å; E220-Q224 WeakPolarHBondContact O-CG 3.24Å; E220-Q224 PolarHBondContact O-N 3.18Å; E220-Q224 PolarHBondContact OE1-NE2 3.23Å; Q224-A226 VanDerWaalsContact C-N 3.35Å; Q224-A226 PolarHBondContact O-N 3.01Å; Q224-C227 PolarHBondContact O-N 2.93Å; Q224-L228 WeakPolarHBondContact O-CB 3.44Å; Q224-L228 WeakPolarHBondContact O-CG 3.2Å; Q224-L228 PolarHBondContact O-N 3.48Å
225D93.6Very high90.1Very high32 Ų3256.8 Ų56.817%0.17128%0.281CS..Hα-helixtrans-61.6-40.1176.5177.956.8000112.1I175 Y209 R221 C227 K229I175-D225 HydrophobicContact CD1-CB 4.22Å; I175-D225 WeakPolarHBondContact CD1-OD2 3.4Å; Y209-D225 PolarHBondContact OH-OD2 2.7Å; R221-D225 VanDerWaalsContact O-CB 3.31Å; R221-D225 WeakPolarHBondContact O-CB 3.23Å; R221-D225 PolarHBondContact O-N 3.04Å; D225-C227 PolarHBondContact O-N 2.79Å; D225-K229 WeakPolarHBondContact O-CB 3.25Å; D225-K229 WeakPolarHBondContact O-CG 3.21Å; D225-K229 PolarHBondContact O-N 3.08Å; D225-K229 WeakPolarHBondContact OD1-CE 3.48Å; D225-K229 IonicContact OD1-NZ 3.55Å; D225-K229 PolarHBondContact OD1-NZ 2.94Å; D225-K229 IonicContact OD2-NZ 3.59Å; D225-K229 PolarHBondContact OD2-NZ 3.28Å
226A94.2Very high89.5Confident4 Ų451.2 Ų51.23%0.03327%0.269CS..Hα-helixtrans-58.1-49.5173.800000112L75 I142 I175 V222 F223 Q224 K229 I230L75-A226 HydrophobicContact CD1-CB 3.86Å; L75-A226 HydrophobicContact CD2-CB 4.27Å; I142-A226 HydrophobicContact CD1-CB 4.21Å; I142-A226 HydrophobicContact CG1-CB 4.34Å; I175-A226 HydrophobicContact CD1-CB 3.8Å; V222-A226 WeakPolarHBondContact O-CB 3.22Å; V222-A226 PolarHBondContact O-N 3.39Å; F223-A226 PolarHBondContact O-N 3.35Å; Q224-A226 VanDerWaalsContact C-N 3.35Å; Q224-A226 PolarHBondContact O-N 3.01Å; A226-K229 PolarHBondContact O-N 2.53Å; A226-I230 WeakPolarHBondContact O-CG1 3.28Å; A226-I230 PolarHBondContact O-N 2.92Å; A226-I230 VanDerWaalsContact O-N 3.15Å
227C92.9Very high88.2Confident0 Ų052.9 Ų52.90%029%0.285CS..Hα-helixtrans-69.1-40.8-177.5-63.50000112.2I73 L112 L114 F223 Q224 D225 K229 I230 L231I73-C227 HydrophobicContact CD1-CB 4.32Å; L112-C227 HydrophobicContact CD2-CB 3.53Å; L112-C227 VanDerWaalsContact CD2-SG 3.56Å; L114-C227 HydrophobicContact CD1-CB 4Å; F223-C227 PolarHBondContact O-N 3.19Å; F223-C227 VanDerWaalsContact O-N 3.08Å; F223-C227 PolarHBondContact O-SG 2.97Å; Q224-C227 PolarHBondContact O-N 2.93Å; D225-C227 PolarHBondContact O-N 2.79Å; C227-K229 PolarHBondContact O-N 3.49Å; C227-I230 PolarHBondContact O-N 3.13Å; C227-L231 WeakPolarHBondContact O-CG 3.49Å; C227-L231 PolarHBondContact O-N 2.95Å
228L91.8Very high86.3Confident58 Ų5854.8 Ų54.830%0.30430%0.296SS..Hα-helixtrans-60.9-42.9175.5-75.9167.1000111.6L114 Q224 I230 L231 Q232L114-L228 HydrophobicContact CD1-CD2 4.05Å; L114-L228 HydrophobicContact CD1-CG 4.17Å; L114-L228 HydrophobicContact CD2-CD2 4.15Å; L114-L228 HydrophobicContact CD2-CG 4.35Å; Q224-L228 WeakPolarHBondContact O-CB 3.44Å; Q224-L228 WeakPolarHBondContact O-CG 3.2Å; Q224-L228 PolarHBondContact O-N 3.48Å; L228-I230 VanDerWaalsContact C-N 3.35Å; L228-I230 PolarHBondContact O-N 3.46Å; L228-L231 PolarHBondContact O-N 3.45Å; L228-Q232 WeakPolarHBondContact O-CB 3.49Å; L228-Q232 VanDerWaalsContact O-CG 3.25Å; L228-Q232 WeakPolarHBondContact O-CG 3.19Å; L228-Q232 PolarHBondContact O-N 3.29Å
229K91.6Very high83.8Confident57 Ų5757.4 Ų57.425%0.24832%0.317CS..Hα-helixtrans-65.6-35176.6-74.2167.7174.3161.50113.1P173 D225 A226 C227 Q232 L233P173-K229 HydrophobicContact CB-CB 3.81Å; P173-K229 HydrophobicContact CG-CB 4.09Å; D225-K229 WeakPolarHBondContact O-CB 3.25Å; D225-K229 WeakPolarHBondContact O-CG 3.21Å; D225-K229 PolarHBondContact O-N 3.08Å; D225-K229 WeakPolarHBondContact OD1-CE 3.48Å; D225-K229 IonicContact OD1-NZ 3.55Å; D225-K229 PolarHBondContact OD1-NZ 2.94Å; D225-K229 IonicContact OD2-NZ 3.59Å; D225-K229 PolarHBondContact OD2-NZ 3.28Å; A226-K229 PolarHBondContact O-N 2.53Å; C227-K229 PolarHBondContact O-N 3.49Å; K229-Q232 PolarHBondContact O-N 2.78Å; K229-L233 PolarHBondContact O-N 3.22Å
230I91.4Very high81.3Confident4 Ų459.8 Ų59.82%0.02133%0.333CS..Hα-helixtrans-62.6-47172-69.1164.4000110.5I73 L75 D139 P173 A226 C227 L228 L233 R234I73-I230 HydrophobicContact CG2-CB 4.4Å; I73-I230 HydrophobicContact CG2-CD1 3.7Å; I73-I230 HydrophobicContact CG2-CG2 4.09Å; L75-I230 HydrophobicContact CD1-CD1 4.31Å; D139-I230 HydrophobicContact CB-CD1 4.03Å; D139-I230 HydrophobicContact CB-CG1 4.13Å; D139-I230 HydrophobicContact CB-CG2 3.58Å; P173-I230 HydrophobicContact CG-CG1 3.86Å; A226-I230 WeakPolarHBondContact O-CG1 3.28Å; A226-I230 PolarHBondContact O-N 2.92Å; A226-I230 VanDerWaalsContact O-N 3.15Å; C227-I230 PolarHBondContact O-N 3.13Å; L228-I230 VanDerWaalsContact C-N 3.35Å; L228-I230 PolarHBondContact O-N 3.46Å; I230-L233 PolarHBondContact O-N 3.2Å; I230-R234 WeakPolarHBondContact O-CG 3.4Å; I230-R234 PolarHBondContact O-N 2.69Å; I230-R234 VanDerWaalsContact O-N 3.09Å
231L88.7Confident79Confident33 Ų3360.8 Ų60.817%0.17335%0.345CS..Hα-helixtrans-65-38.7178-67179.2000112.4I73 L114 C227 L228 R234 A235I73-L231 HydrophobicContact CD1-CD1 4.21Å; I73-L231 HydrophobicContact CD1-CD2 3.97Å; I73-L231 HydrophobicContact CD1-CG 4.05Å; I73-L231 HydrophobicContact CG1-CD2 4.3Å; L114-L231 HydrophobicContact CB-CD1 4.32Å; L114-L231 HydrophobicContact CD1-CD1 3.73Å; C227-L231 WeakPolarHBondContact O-CG 3.49Å; C227-L231 PolarHBondContact O-N 2.95Å; L228-L231 PolarHBondContact O-N 3.45Å; L231-R234 PolarHBondContact O-N 2.92Å; L231-A235 WeakPolarHBondContact O-CB 3.23Å; L231-A235 PolarHBondContact O-N 3.18Å
232Q88.4Confident76.2Confident124 Ų12459.3 Ų59.358%0.57935%0.354SS*.Hα-helixtrans-63-44175.4-73.4167.66.800112.7L228 K229 A235 S236L228-Q232 WeakPolarHBondContact O-CB 3.49Å; L228-Q232 VanDerWaalsContact O-CG 3.25Å; L228-Q232 WeakPolarHBondContact O-CG 3.19Å; L228-Q232 PolarHBondContact O-N 3.29Å; K229-Q232 PolarHBondContact O-N 2.78Å; Q232-A235 PolarHBondContact O-N 2.84Å; Q232-S236 PolarHBondContact O-N 3.36Å
233L86.4Confident73.5Confident61 Ų6168 Ų6832%0.31939%0.387SS..Hα-helixtrans-63.8-41.5174.8-73.6-168.3000111.8P173 K229 I230 A235 S236P173-L233 HydrophobicContact CG-CD1 3.66Å; P173-L233 HydrophobicContact CG-CG 4.23Å; K229-L233 PolarHBondContact O-N 3.22Å; I230-L233 PolarHBondContact O-N 3.2Å; L233-A235 PolarHBondContact O-N 2.72Å; L233-S236 WeakPolarHBondContact O-CB 3.39Å; L233-S236 PolarHBondContact O-N 2.76Å; L233-S236 VanDerWaalsContact O-N 3.15Å; L233-S236 PolarHBondContact O-OG 3.21Å
234R83.9Confident70.6Confident83 Ų8373.4 Ų73.431%0.31342%0.422SS..Hα-helixtrans-61.3-42.4175.6-72166.2168-160.7-5.5112G72 D139 I230 L231 S236 G237G72-R234 VanDerWaalsContact O-CZ 3.28Å; G72-R234 PolarHBondContact O-NH1 3.3Å; G72-R234 PolarHBondContact O-NH2 2.82Å; D139-R234 IonicContact OD1-CZ 2.98Å; D139-R234 IonicContact OD1-NE 2.76Å; D139-R234 PolarHBondContact OD1-NE 3.28Å; D139-R234 IonicContact OD1-NH2 2.71Å; D139-R234 PolarHBondContact OD1-NH2 2.8Å; D139-R234 IonicContact OD2-CZ 3.82Å; D139-R234 IonicContact OD2-NH2 3.23Å; D139-R234 PolarHBondContact OD2-NH2 2.81Å; I230-R234 WeakPolarHBondContact O-CG 3.4Å; I230-R234 PolarHBondContact O-N 2.69Å; I230-R234 VanDerWaalsContact O-N 3.09Å; L231-R234 PolarHBondContact O-N 2.92Å; R234-S236 VanDerWaalsContact C-N 3.26Å; R234-S236 PolarHBondContact O-N 3.21Å; R234-G237 PolarHBondContact O-N 3.26Å
235A78.5Confident67.6Low91 Ų9177 Ų7775%0.75244%0.443SS*.Hα-helixtrans-64.1-29.5175.300000112.9L231 Q232 L233 G237L231-A235 WeakPolarHBondContact O-CB 3.23Å; L231-A235 PolarHBondContact O-N 3.18Å; Q232-A235 PolarHBondContact O-N 2.84Å; L233-A235 PolarHBondContact O-N 2.72Å; A235-G237 PolarHBondContact O-N 3.18Å
236S70Confident64.7Low67 Ų6780.4 Ų80.447%0.46947%0.465SS..THydrogen-bonded Turntrans-73.52.2176.179.80000115Q232 L233 R234 N238Q232-S236 PolarHBondContact O-N 3.36Å; L233-S236 WeakPolarHBondContact O-CB 3.39Å; L233-S236 PolarHBondContact O-N 2.76Å; L233-S236 VanDerWaalsContact O-N 3.15Å; L233-S236 PolarHBondContact O-OG 3.21Å; R234-S236 VanDerWaalsContact C-N 3.26Å; R234-S236 PolarHBondContact O-N 3.21Å; S236-N238 PolarHBondContact O-N 3.39Å
237G57.8Low61.6Low62 Ų6285.6 Ų85.664%0.63950%0.498SS*.THydrogen-bonded Turntrans78.5-13.1178.400000115.3R234 A235 S239R234-G237 PolarHBondContact O-N 3.26Å; A235-G237 PolarHBondContact O-N 3.18Å; G237-S239 PolarHBondContact O-N 2.81Å
238N50.6Low58.5Low120 Ų12093.6 Ų93.664%0.64254%0.535SS*.  trans-76.262.3177-78.7-38.9000112.5S236 P240S236-N238 PolarHBondContact O-N 3.39Å; N238-P240 WeakPolarHBondContact O-CD 3.34Å
239S39.5Very low55.7Low94 Ų9499 Ų9966%0.65756%0.562SS**  trans-90.8111.9176.8-171.80000111.6G237G237-S239 PolarHBondContact O-N 2.81Å
240P39.9Very low52.6Low55 Ų55101 Ų10136%0.35758%0.584SS.*  trans-90.4154.7175.60.221.4000111.7S171 N238S171-P240 VanDerWaalsContact CB-CG 3.49Å; S171-P240 WeakPolarHBondContact OG-CG 3.36Å; N238-P240 WeakPolarHBondContact O-CD 3.34Å
241V45.4Very low49.8Very low101 Ų101105.6 Ų105.661%0.61262%0.616SS**  trans81.1107.2176.3-171.20000115.1
242P33.9Very low47Very low118 Ų118111.3 Ų111.377%0.76665%0.647SS**PPolyproline II helixtrans-64.5149.3164.8-19.132.8000112.2
243R36.9Very low44.3Very low181 Ų181110.1 Ų110.168%0.68365%0.652SS**PPolyproline II helixtrans-69.3142.5173.4-53.4-176.3-162.1-149.11.5110.3N68N68-R243 PolarHBondContact OD1-NH1 3.23Å
244P34Very low41.8Very low114 Ų114115.3 Ų115.374%0.7468%0.675SS**PPolyproline II helixtrans-55.8142.5162.7-22.834.1000110.9
245I30Very low39.2Very low159 Ų159118.9 Ų118.982%0.81570%0.695SS**  trans-109.3104.8178.7-59175.2000108.6
246T33.5Very low36.8Very low103 Ų103125.1 Ų125.163%0.63270%0.699SS**  trans-95.1134.1169.7-49.90000107.8
247P28.9Very low34.8Very low112 Ų112126.3 Ų126.373%0.72771%0.713SS**  trans-68.5133.8-152.622.4-34.2000115.5I249P247-I249 PolarHBondContact O-N 3.21Å
248Q28.3Very low33.3Very low169 Ų169129.2 Ų129.279%0.7972%0.722SS**  trans-74.6115.4168.2-68.9-80.9-76.200110S250Q248-S250 PolarHBondContact O-N 2.76Å
249I31.6Very low32.1Very low171 Ų171127.5 Ų127.588%0.87773%0.725SS**  trans-8393.5163.7-59.4179.4000107.6P247P247-I249 PolarHBondContact O-N 3.21Å
250S27.9Very low31.6Very low100 Ų100130.6 Ų130.670%0.69973%0.734SS**  trans-116.7101.3-176.159.90000112.2Q248Q248-S250 PolarHBondContact O-N 2.76Å
251S32.1Very low31.1Very low100 Ų100132.9 Ų132.970%0.69975%0.751SS**  trans-154.1102.4164.461.90000113.7
252N30.1Very low30.4Very low152 Ų152134.2 Ų134.281%0.81376%0.762SS**  trans60.7109.5136.8-62.4-7.1000121.6
253S31.5Very low30.3Very low100 Ų100134.9 Ų134.970%0.69976%0.763SS**  79.9126.1116.972.10000122
254Q33.5Very low29.8Very low169 Ų169135 Ų13579%0.7977%0.772SS**  trans76102.2140.9-68.61769.300120.7
255Q28.8Very low29.5Very low158 Ų158136 Ų13674%0.73878%0.78SS**  76.1136.3129.5-62.1-168.411.900121.4
256R29.4Very low29.5Very low223 Ų223134.7 Ų134.784%0.84278%0.779SS**  trans73.686.5153.4-69173.7-177.6-165.5-0.2119.9
257A26.8Very low29.4Very low92 Ų92135.6 Ų135.676%0.7679%0.787SS**  75.9158.3109.200000121.7
258C25.9Very low29.4Very low122 Ų122138 Ų13882%0.82479%0.792SS**  trans78.485.4162.5-60.90000119.9
259A27Very low29.5Very low84 Ų84136.2 Ų136.269%0.69479%0.792SS**  71142.6119.400000122.4
260N29.2Very low29.5Very low159 Ų159131.5 Ų131.585%0.8579%0.786SS**  trans59.2119157.4-53-11.6000116.6
261S28.9Very low29.6Very low103 Ų103133.9 Ų133.972%0.7279%0.789SS**  cis-170.5166.942.447.40000110.9
262P30Very low29.4Very low129 Ų129133.5 Ų133.584%0.83879%0.787SS**  trans-85.9143.6173.934.4-33000112.1
263V31.8Very low29.4Very low132 Ų132135 Ų13580%0.879%0.789SS**  trans-138.3131.7170.2-176.60000108.9
264E26.8Very low29.4Very low185 Ų185135.9 Ų135.986%0.86480%0.795SS**  trans-75.8142.7174.8-61.6171.2107.400111.3
265C28.8Very low29.2Very low133 Ų133135.7 Ų135.790%0.89979%0.794SS**  trans-151.2135.3156.7-103.90000111.5
266V29.2Very low29.2Very low132 Ų132135.9 Ų135.980%0.880%0.795SS**  trans-94.7149.4-176.8169.40000108.6
267P31Very low29.4Very low123 Ų123129.9 Ų129.980%0.79979%0.787SS**  trans-79.8158.9-157.131.1-37.2000114.9
268I29.9Very low29.3Very low162 Ų162133.5 Ų133.583%0.83179%0.793SS**  trans-113.1128173.6-65.3176.7000109.6
269V28.9Very low29.5Very low131 Ų131136.6 Ų136.679%0.79479%0.792SS**  trans-88.2125.2168.7176.90000108.8I271V269-I271 HydrophobicContact CG1-CD1 4.44Å; V269-I271 HydrophobicContact CG1-CG1 4.24Å
270G31.7Very low29.5Very low73 Ų73137.6 Ų137.675%0.75380%0.795SS**  trans-124.9132.3176.300000111.1
271I29.8Very low29.6Very low149 Ų149137.2 Ų137.276%0.76479%0.792SS**  trans-117.2152.2-167.6-70.4174.2000111.4V269V269-I271 HydrophobicContact CG1-CD1 4.44Å; V269-I271 HydrophobicContact CG1-CG1 4.24Å
272S28.9Very low29.8Very low93 Ų93138.4 Ų138.465%0.6580%0.795SS**  trans92123.3156.868.20000122.5
273Q28.8Very low30Very low184 Ų184138.7 Ų138.786%0.8679%0.794SS**  63.1104.3127.7-62.3174.933.700122.2
274S33.5Very low29.8Very low117 Ų117139.6 Ų139.682%0.81879%0.794SS**  -176.8129.3114.433.30000109
275Q28.8Very low30.1Very low166 Ų166134.6 Ų134.678%0.77679%0.785SS**  75.3127.465.7-104.1-158.260.400116.4
276Q28.6Very low30.3Very low161 Ų161138.9 Ų138.975%0.75278%0.782SS**  trans89.8158.6156.2-61174.831.200121.3
277S32.6Very low30.4Very low97 Ų97140.2 Ų140.268%0.67878%0.78SS**  trans62.3120.7-166.870.80000114.5
278L25.6Very low30.4Very low169 Ų169138 Ų13889%0.88578%0.779SS**  cis61.169.913.4-67.2178.2000115.8
279F30.3Very low30.8Very low186 Ų186135.8 Ų135.882%0.81678%0.776SS**  trans-143.2112.5150-80.7-67.5000111.7
280S27.4Very low30.9Very low106 Ų106136.6 Ų136.674%0.74178%0.775SS**  trans-128.986.2170.758.80000109.3V282S280-V282 PolarHBondContact O-N 3Å
281N30.8Very low31Very low150 Ų150140.1 Ų140.180%0.80277%0.773SS**  trans-81102.1177.5-77.4-17.4000110.1
282V32Very low31.2Very low129 Ų129141.2 Ų141.278%0.78277%0.773SS**PPolyproline II helixtrans-77.3136.3170.9175.90000109.5S280S280-V282 PolarHBondContact O-N 3Å
283V34.5Very low31.4Very low134 Ų134144.4 Ų144.481%0.81278%0.782SS**PPolyproline II helixtrans-83.5130.3173.7179.70000109.4
284N28.3Very low31.9Very low151 Ų151141.2 Ų141.281%0.80778%0.778SS**PPolyproline II helixtrans-60.7151.9173.1-63.3-55.1000110.2
285A32.4Very low31.7Very low81 Ų81139.1 Ų139.167%0.66978%0.775SS**  -179.9162.252.700000112.2
286R32.6Very low31.9Very low223 Ų223138.1 Ų138.184%0.84278%0.78SS**  trans65.8156.9152-71.8-169.5138.5140.62.6119.3
287E31.3Very low31.9Very low159 Ų159137.5 Ų137.574%0.74378%0.781SS**  cis-177.1149.3-35-114173.6161.200105.7
288G32.4Very low31.8Very low77 Ų77138.1 Ų138.179%0.79478%0.784SS**  trans109.5104.4165.300000117.9
289P38.2Very low31.8Very low116 Ų116137.3 Ų137.375%0.75378%0.781SS**  trans-116.3164.417640-31.1000113.9
290L30.6Very low32Very low148 Ų148134.7 Ų134.778%0.77578%0.78SS**  trans-173.9131.2140.1-128.870.6000115.3
291M33Very low32.2Very low146 Ų146135.8 Ų135.872%0.71978%0.782SS**  trans58.5156.3141.8-77.6-180-175.300121.2
292K35.1Very low32Very low173 Ų173136.1 Ų136.175%0.75278%0.784SS**  cis-156.5123.99.2-131.9158.4-174.9168.20112.6
293N32.8Very low32Very low159 Ų159136.7 Ų136.785%0.8579%0.788SS**  trans42.1161.5136.5-8519.6000125.2
294P39.1Very low31.8Very low118 Ų118136 Ų13677%0.76678%0.784SS**  trans-135.9178.8-142.845.5-29.7000117.5
295G29.5Very low32Very low73 Ų73135 Ų13575%0.75378%0.783SS**  trans101.4133.6131.200000119.4
296V33.9Very low31.9Very low145 Ų145136.7 Ų136.788%0.87979%0.79SS**  trans-142.8145.4148.6177.80000107.2
297N27.2Very low32Very low147 Ų147129.5 Ų129.579%0.78679%0.785SS**  trans-148.7136179.7-172.915.9000109.7
298C31.3Very low32.3Very low110 Ų110129.4 Ų129.474%0.74379%0.789SS**  trans-156.8120.417751.90000113.2
299N26.3Very low32.4Very low153 Ų153131.2 Ų131.282%0.81878%0.78SS**  trans-108.6142.4171.1-76.2-36.6000109.8
300V33.3Very low32.2Very low130 Ų130135 Ų13579%0.78878%0.779SS**  trans-138.192.9173.8-176.90000112.2
301T32.4Very low32.2Very low130 Ų130135.5 Ų135.580%0.79878%0.775SS**  trans44.5140.7142.557.90000124.3
302N26.1Very low32.2Very low157 Ų157135.4 Ų135.484%0.8477%0.773SS**  trans-80.9151.5169-48.4-63.9000114.2
303T31.6Very low32Very low140 Ų140138.6 Ų138.686%0.85978%0.78SS**  trans-166.8167.9147.132.20000109.9
304V30.3Very low32.1Very low119 Ų119136 Ų13672%0.72177%0.772SS**  -178.4166.6-57.2140.70000108.3
305T32.3Very low31.8Very low131 Ų131137.1 Ų137.180%0.80478%0.776SS**  trans81159.1179.473.90000118.3
306S31.3Very low31.7Very low116 Ų116142.9 Ų142.981%0.81178%0.781SS**  -178.6144.3-63.649.20000113.7
307G34.4Very low31.9Very low72 Ų72140.8 Ų140.874%0.74277%0.77SS**  trans122.1159.5157.400000116.5
308I36.7Very low32.3Very low158 Ų158140.5 Ų140.581%0.8177%0.769SS**  cis-159.5137.7-5.1-102.5159.8000108.6
309D34.6Very low32.5Very low114 Ų114142.7 Ų142.761%0.6177%0.773SS**  trans40.8158152.8-73.1-16.4000123.5
310R33.8Very low33.1Very low196 Ų196140.5 Ų140.574%0.7477%0.767SS**  cis-158.7145.40.8-115.5165.6-143.1-163.711.5109.7
311K32Very low33.2Very low158 Ų158138.9 Ų138.969%0.68776%0.762SS**  54.4146.699.6-70.7-175.2148.1-141.90117
312E31.8Very low33.3Very low144 Ų144138 Ų13867%0.67375%0.752SS**  cis-156.5144.30.5-103.8151.116100108.1
313R31Very low33.6Very low241 Ų241140.5 Ų140.591%0.90975%0.75SS**  75151.376.6-87.4-139.3168.4-144.6-2.7118.1
314P36.1Very low33.8Very low104 Ų104144.9 Ų144.968%0.67575%0.75SS**  trans-128.4-175.4-145.445.3-32.1000116.4
315V32.7Very low34.2Very low141 Ų141143.6 Ų143.686%0.85574%0.744SS**  trans-162.5161.4158.3122.60000113.7
316F27.5Very low34.3Very low195 Ų195143.6 Ų143.686%0.85574%0.74SS**  trans-125.4-171.1178.2-87.3-84.1000109.1
317P37.7Very low34.4Very low101 Ų101143.4 Ų143.466%0.65673%0.734SS**  cis-139.8-159.9-0.430.4-3.3000115.4
318N34.6Very low34.5Very low141 Ų141148.4 Ų148.475%0.75474%0.737SS**  trans95.4100.4143.2-71.4-13.8000124.4
319N35.1Very low34.4Very low156 Ų156146.2 Ų146.283%0.83474%0.736SS**  70163.1123.5-95.30.4000122.8
320P40Very low34.5Very low106 Ų106147.9 Ų147.969%0.68875%0.745SS**  trans-135.5-172.8-142.145.4-28.9000116.5
321S36.2Very low34.8Very low96 Ų96143.9 Ų143.967%0.67174%0.744SS**  158.1161.8117.765.10000117.3
322N32.7Very low34.8Very low111 Ų111139.8 Ų139.859%0.59475%0.747SS**  trans76.3122.6146.5-76.9-61.6000124.4
323R33.7Very low34.8Very low210 Ų210142.5 Ų142.579%0.79276%0.757SS**  trans76.3128.7135.7-64.5167-157.3-137.12.4118
324R34.6Very low34.9Very low232 Ų232138.7 Ų138.788%0.87575%0.75SS**  87.715251.3-90.1-162.4-179.3-1651.9113.1
325P39.6Very low34.7Very low92 Ų92142.2 Ų142.260%0.59776%0.755SS**  cis-142.1-152-29.936.3-12.1000113.4
326D34.1Very low34.5Very low131 Ų131141.9 Ų141.970%0.70175%0.748SS**  trans70.9118.8157.8-53.9-15.2000118.6
327T33.6Very low34.7Very low112 Ų112141.4 Ų141.469%0.68775%0.746SS**  cis92132.148.957.50000115.7
328H37Very low34.4Very low177 Ų177141.6 Ų141.682%0.81974%0.742SS**  trans168.1144.2135.8-90.9-62.7000115.7
329S33.9Very low34Very low112 Ų112142.8 Ų142.878%0.78374%0.743SS**  trans62.1154.1148.953.50000122.9
330N37Very low33.8Very low150 Ų150142 Ų14280%0.80273%0.734SS**  cis-159-152.9-30.1-154.218.3000110.2
331P40.4Very low33.2Very low111 Ų111141.2 Ų141.272%0.72173%0.731SS**  -129.9-174.3-124.244.9-25.9000117.8
332G31.5Very low33.1Very low73 Ų73144.6 Ų144.675%0.75373%0.733SS**  trans128.2112.4130.200000119.7
333F32.2Very low32.9Very low201 Ų201143.2 Ų143.288%0.88274%0.737SS**  -161.2152.6127.9-152.2-99.5000110.2F335F333-F335 HydrophobicContact CE1-CD2 4.5Å
334E32.9Very low32.9Very low160 Ų160139.8 Ų139.875%0.74874%0.735SS**  trans-109.4161.9-171.4-59.4171.2123.900112.5
335F32Very low32.7Very low178 Ų178134.6 Ų134.678%0.78173%0.725SS**  -169130.4109.4-114.5-79.5000110.6F333F333-F335 HydrophobicContact CE1-CD2 4.5Å
336D27.3Very low32.2Very low135 Ų135135.6 Ų135.672%0.72273%0.725SS**  trans-103.6166.6-177.8-123.5-39.5000111.9
337F33.1Very low31.9Very low185 Ų185137.5 Ų137.581%0.81173%0.73SS**  trans-179.497.1143.8-96.5-61.2000111.6
338N30.1Very low31.8Very low105 Ų105136.5 Ų136.556%0.56173%0.727SS**  36.4129.4121.9-6953.4000120.1
339E27.8Very low31.7Very low166 Ų166134.9 Ų134.978%0.77672%0.724SS**  80138.584.9-150171.1-147.400110.9
340E30.8Very low31.5Very low139 Ų139135.3 Ų135.365%0.6572%0.722SS**  cis-126.2168.222.3-68176.778.700110.6K342E340-K342 IonicContact OE1-NZ 2.72Å; E340-K342 PolarHBondContact OE1-NZ 3.48Å; E340-K342 IonicContact OE2-NZ 2.77Å
341S27.5Very low31.4Very low89 Ų89133.4 Ų133.462%0.62272%0.718SS**  cis78.371.425.980.20000118.8
342K32.5Very low30.7Very low167 Ų167133.3 Ų133.373%0.72672%0.719SS**  trans-149.1130.1141.8-85.5109.9-169.7166.70107.9E340E340-K342 IonicContact OE1-NZ 2.72Å; E340-K342 PolarHBondContact OE1-NZ 3.48Å; E340-K342 IonicContact OE2-NZ 2.77Å
343A29.1Very low30.8Very low82 Ų82134.3 Ų134.368%0.67872%0.715SS**  cis86.3148.144.900000113.2
344D33Very low30.6Very low139 Ų139131.3 Ų131.374%0.74371%0.713SS**  trans69.5143.5168.5-58.5-9.8000118.6
345N31.9Very low30.8Very low122 Ų122128.9 Ų128.965%0.65271%0.712SS**  cis-158.1161.9-21.8-113.5-31.3000112.7
346N27.6Very low30.9Very low113 Ų113127.3 Ų127.360%0.60472%0.717SS**  trans34130.4146.9-75.824.6000123.4
347E29.3Very low30.9Very low172 Ų172129 Ų12980%0.80472%0.72SS**  trans69.4164.6132.4-60.3176.7106.500117.3
348S30Very low31Very low90 Ų90125.7 Ų125.763%0.62972%0.719SS**  cis-146.5156.68.189.20000111.9
349L36.1Very low30.9Very low144 Ų144130 Ų13075%0.75473%0.728SS**  trans49.3113.4145.6-53.8169.5000118.2
350T29.3Very low31.1Very low120 Ų120130.6 Ų130.674%0.73673%0.728SS**  67161.152.391.10000114.2
351P34.6Very low31.3Very low111 Ų111131.9 Ų131.972%0.72174%0.739SS**  -133.1-154.5-99.637.9-16.4000113.2
352S26.5Very low31.4Very low108 Ų108136.7 Ų136.776%0.75574%0.744SS**  trans73.1172.7173.189.90000114.2
353S33.9Very low31.4Very low94 Ų94137.7 Ų137.766%0.65774%0.743SS**  cis-145.6126.68.1-98.50000111.9
354T28.4Very low31.5Very low138 Ų138142.9 Ų142.985%0.84775%0.75SS**  trans48164.8134.127.60000122.7
355P35.9Very low31.6Very low110 Ų110140.2 Ų140.271%0.71474%0.742SS**  trans-113.4178.8-159.442.5-36.4000115.3
356T33.5Very low31.5Very low145 Ų145141.3 Ų141.389%0.8975%0.748SS**  trans-160.5148.6143.65.90000116.2
357H28.8Very low31.7Very low171 Ų171141.7 Ų141.779%0.79275%0.75SS**  trans-47.6143.1163.2-102.1-153.4000116.1
358S33.7Very low31.8Very low114 Ų114141.8 Ų141.880%0.79775%0.748SS**  -179.3110.4116.5-167.70000110.8
359R28.9Very low32.1Very low195 Ų195144.7 Ų144.774%0.73675%0.751SS**  64.6113.881.8-100.6-174.7173.7-174.50.5117.4
360K31.5Very low32.2Very low180 Ų180145.7 Ų145.778%0.78375%0.75SS**  trans71.9124152.6-53.6171.1179.51780118.5
361N35.7Very low32.5Very low166 Ų166150.1 Ų150.189%0.88875%0.753SS**  -157.7-171.985.1-143.5-14.4000112.7
362R29.9Very low32.5Very low189 Ų189150.3 Ų150.371%0.71375%0.748SS**  trans-146.6158.8-156.6165.3-174.7-179.1-150.49.1112.8
363R31.5Very low33.2Very low189 Ų189153.9 Ų153.971%0.71375%0.752SS**  trans82.3128.4161.4-93.1164.3176.6-178.7-2.6118.8
364K30.7Very low33.3Very low191 Ų191155.4 Ų155.483%0.8375%0.753SS**  trans56.3150.3131.7-75.8-164.5171-168.50119.6
365S35.3Very low33.6Very low82 Ų82156.4 Ų156.457%0.57375%0.748SS**  cis-168.1-168.6-10.848.60000109.2
366N30.1Very low33.4Very low145 Ų145163 Ų16378%0.77576%0.759SS**  trans83.4158.1162.3-53-7000116.2
367L31.3Very low33.6Very low121 Ų121165.1 Ų165.163%0.63476%0.759SS**  cis-177.1134-28.5179.467.1000108.4
368F32.1Very low33.8Very low175 Ų175167.6 Ų167.677%0.76876%0.761SS**  trans63.9153.3-177.7-48.7-48.4000114
369Q36.4Very low33.7Very low151 Ų151171 Ų17171%0.70676%0.764SS**  cis-155.3169.7-4.8-123.2176.193.300105.7
370K38.9Very low34.2Very low165 Ų165171.9 Ų171.972%0.71777%0.774SS**  cis-141.8155.712.2-109.7166.7173.41640107.2
371R34.9Very low34.1Very low213 Ų213172 Ų17280%0.80477%0.774SS**  53130.481.5-60.2-152.9178.2167.7-0.2117
372N35.4Very low33.8Very low114 Ų114171.4 Ų171.461%0.6177%0.77SS**  cis-127.2-141.6-24.8-9647.4000104.7D374N372-D374 PolarHBondContact ND2-OD1 3.07Å
373E40.4Very low33.8Very low183 Ų183170.7 Ų170.786%0.85578%0.78SS**  cis-150.5142.8-0.7-68.3176.6-17500106.8
374D37Very low33.9Very low126 Ų126165.1 Ų165.167%0.67478%0.782SS**  cis-156.8178.7-25-134.697.4000110.1N372N372-D374 PolarHBondContact ND2-OD1 3.07Å
375E34Very low33.7Very low159 Ų159164.8 Ų164.874%0.74379%0.787SS**  trans-104.9129-169.2-62.7-176.1107.700115.6
376R32.1Very low33.4Very low250 Ų250164.3 Ų164.394%0.94380%0.795SS**  trans-176135.6154.5-94.4149.5-156.1-143.77.3107.6
377E37.5Very low33.4Very low188 Ų188163.6 Ų163.688%0.87980%0.801SS**  cis-120.9142.81.7-59.5168.6104.900110
378R31.7Very low33.9Very low223 Ų223160.9 Ų160.984%0.84280%0.803SS**  trans-137.531.8177.9-132.5174.8-173.2178.23.5114.2
379E32.2Very low35.2Very low185 Ų185157.2 Ų157.286%0.86478%0.784SS**  trans-111.672.5-175.3-63.9-159.6127.400113.3
380K39.1Very low36.6Very low214 Ų214153.3 Ų153.393%0.9378%0.777SS**  trans-15664153.5-104.9144.7-169.6170.30109.5
381K30.2Very low38.4Very low182 Ų182152.7 Ų152.779%0.79178%0.78SS**  trans-79158.6172.7-98.9177.3176.8170.40110.6
382L30.1Very low40.8Very low155 Ų155143.4 Ų143.481%0.81275%0.747SS**  trans63.487.1176.3-77.172.1000115.4
383N29.6Very low43.2Very low173 Ų173142 Ų14293%0.92574%0.739SS**  -166.9155.4125.1-96.6-22.5000110.1
384G32.7Very low45.6Very low72 Ų72134.4 Ų134.474%0.74270%0.703SS**  trans81.167.6171.700000116.3G386G384-G386 PolarHBondContact O-N 2.97Å
385I27.6Very low48.3Very low185 Ų185133 Ų13395%0.94969%0.693SS**SBendtrans-67126162.8-66.2170.5000108.2
386G27.6Very low51Low71 Ų71126.2 Ų126.273%0.73267%0.665SS**  trans113.345.9174.300000116G384 G388G384-G386 PolarHBondContact O-N 2.97Å; G386-G388 PolarHBondContact O-N 2.98Å
387S31.5Very low53.9Low130 Ų130117.8 Ų117.891%0.90964%0.635SS**  trans-7273.9163.9-166.70000109.9
388G41.3Very low56.5Low64 Ų64108.8 Ų108.866%0.6659%0.594SS**PPolyproline II helixtrans-70.8154.4174.100000111.3G386G386-G388 PolarHBondContact O-N 2.98Å
389R58.7Low59.3Low99 Ų99101.7 Ų101.737%0.37457%0.567SS.*PPolyproline II helixtrans-69.9155.1169.1-66.3179.8-177.9162.4-1.4110.1I391 Y433 M434 N436R389-I391 PolarHBondContact O-N 2.82Å; R389-Y433 PolarHBondContact NH1-O 2.88Å; R389-Y433 PolarHBondContact NH2-O 3.18Å; R389-M434 PolarHBondContact NH2-O 3.18Å; R389-N436 PolarHBondContact NE-OD1 3.4Å; R389-N436 VanDerWaalsContact NE-OD1 3.12Å; R389-N436 VanDerWaalsContact NH2-CG 3.3Å; R389-N436 PolarHBondContact NH2-OD1 3.25Å; R389-N436 VanDerWaalsContact NH2-OD1 3.11Å
390A66.4Low62.1Low69 Ų6994.3 Ų94.357%0.5753%0.532SS*.PPolyproline II helixtrans-51.1127.9167.700000109.3P392A390-P392 WeakPolarHBondContact O-CD 3.46Å
391I76.8Confident64.2Low152 Ų15285.7 Ų85.778%0.77949%0.494SS*.PPolyproline II helixtrans-73.3117.5-177.6-59.5174.9000107.1R389R389-I391 PolarHBondContact O-N 2.82Å
392P84.2Confident66Low17 Ų1779.4 Ų79.411%0.1147%0.471CS..PPolyproline II helixtrans-69.5136-17928.4-33.7000110.5A390 K394 Q395 T417 L418A390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-K394 PolarHBondContact O-N 3.3Å; P392-Q395 HydrophobicContact CB-CB 4.31Å; P392-Q395 HydrophobicContact CG-CB 3.82Å; P392-Q395 HydrophobicContact CG-CG 4.09Å; P392-T417 HydrophobicContact CB-CG2 4.01Å; P392-T417 HydrophobicContact CG-CG2 4Å; P392-L418 CarbonylContact C-O 3.52Å; P392-L418 WeakPolarHBondContact CA-O 3.1Å; P392-L418 VanDerWaalsContact CB-O 3.3Å; P392-L418 WeakPolarHBondContact CB-O 3.23Å
393L86.5Confident67.2Low84 Ų8476.6 Ų76.644%0.4446%0.463SS..SBendtrans-55.4-38.5172.9-69.2-177.2000111.7L418 D420 A566L393-L418 HydrophobicContact CB-CD2 4.31Å; L393-L418 HydrophobicContact CB-CG 4.35Å; L393-L418 PolarHBondContact N-O 3.11Å; L393-D420 HydrophobicContact CD1-CB 4.2Å; L393-D420 HydrophobicContact CD2-CB 4.23Å; L393-D420 HydrophobicContact CG-CB 4.18Å; L393-A566 HydrophobicContact CD1-CB 4.26Å
394K91Very high68.3Low24 Ų2474.1 Ų74.110%0.10444%0.444CS..EExtended strand (participates in β ladder)trans-146.4139.6170.8-172.1166.4175.860.80110.1P392 L418 E558 W559 H562P392-K394 PolarHBondContact O-N 3.3Å; K394-L418 PolarHBondContact O-N 3.25Å; K394-E558 WeakPolarHBondContact CE-OE1 3.46Å; K394-E558 IonicContact NZ-OE1 3.92Å; K394-E558 PolarHBondContact NZ-OE1 3.41Å; K394-E558 IonicContact NZ-OE2 2.68Å; K394-E558 PolarHBondContact NZ-OE2 3.43Å; K394-W559 HydrophobicContact CB-CE3 4.38Å; K394-W559 HydrophobicContact CB-CH2 4.45Å; K394-W559 HydrophobicContact CB-CZ3 4.06Å; K394-W559 HydrophobicContact CD-CD2 3.75Å; K394-W559 HydrophobicContact CD-CE3 3.8Å; K394-W559 HydrophobicContact CD-CG 4.15Å; K394-W559 HydrophobicContact CD-CZ3 4.22Å; K394-W559 VanDerWaalsContact CE-CD2 3.49Å; K394-W559 HydrophobicContact CG-CD2 4.19Å; K394-W559 HydrophobicContact CG-CE3 3.98Å; K394-W559 HydrophobicContact CG-CH2 3.97Å; K394-W559 HydrophobicContact CG-CZ2 4.17Å; K394-W559 HydrophobicContact CG-CZ3 3.86Å; K394-H562 HydrophobicContact CB-CB 4.25Å; K394-H562 HydrophobicContact CD-CB 4.21Å
395Q92.6Very high68.9Low98 Ų9876 Ų7646%0.45844%0.443SS..EExtended strand (participates in β ladder)trans-138.7148.6176.564.1-174.4-14.100110.8P392 Y415 V416 T417P392-Q395 HydrophobicContact CB-CB 4.31Å; P392-Q395 HydrophobicContact CG-CB 3.82Å; P392-Q395 HydrophobicContact CG-CG 4.09Å; Q395-Y415 PolarHBondContact OE1-OH 3.48Å; Q395-Y415 VanDerWaalsContact OE1-OH 3.11Å; Q395-V416 VanDerWaalsContact CA-O 3.26Å; Q395-V416 WeakPolarHBondContact CA-O 3.12Å; Q395-T417 HydrophobicContact CB-CG2 3.73Å
396G91.5Very high69.7Low15 Ų1573.5 Ų73.516%0.15543%0.431CS..EExtended strand (participates in β ladder)trans169.7-159.6-177.700000113.2Y415 V416G396-Y415 WeakPolarHBondContact O-CD2 3.44Å; G396-V416 PolarHBondContact N-O 2.9Å; G396-V416 PolarHBondContact O-N 2.81Å
397F92.8Very high70.3Confident73 Ų7372.9 Ų72.932%0.3242%0.415SS..EExtended strand (participates in β ladder)trans-119.2121.9-179.6-71.3-81.3000111.9K413 K414 Y415 I430F397-K413 HydrophobicContact CB-CD 4.43Å; F397-K413 HydrophobicContact CB-CG 4.22Å; F397-K413 HydrophobicContact CD1-CD 4.26Å; F397-K413 HydrophobicContact CD1-CG 4.04Å; F397-K413 HydrophobicContact CG-CG 4.48Å; F397-K414 VanDerWaalsContact CA-O 3.3Å; F397-K414 WeakPolarHBondContact CA-O 3.01Å; F397-Y415 HydrophobicContact CD1-CD2 4.07Å; F397-Y415 HydrophobicContact CD2-CD2 4.41Å; F397-Y415 AromaticContact CE1-CD2 3.73Å; F397-Y415 HydrophobicContact CE1-CD2 3.73Å; F397-Y415 HydrophobicContact CE1-CG 4.41Å; F397-Y415 HydrophobicContact CE2-CD2 4.09Å; F397-Y415 HydrophobicContact CE2-CE2 4.4Å; F397-Y415 HydrophobicContact CG-CD2 4.4Å; F397-Y415 AromaticContact CZ-CD2 3.74Å; F397-Y415 HydrophobicContact CZ-CD2 3.74Å; F397-Y415 HydrophobicContact CZ-CE2 4.38Å; F397-I430 HydrophobicContact CZ-CB 4.18Å; F397-I430 HydrophobicContact CZ-CG2 4.48Å
398L92.7Very high71.1Confident0 Ų075.7 Ų75.70%041%0.411CS..EExtended strand (participates in β ladder)trans-115.5146.9173-67.4172.9000110.7K400 K414 V416 F537 F548 A550 W559L398-K400 PolarHBondContact O-N 2.92Å; L398-K414 PolarHBondContact N-O 2.76Å; L398-K414 PolarHBondContact O-N 2.93Å; L398-V416 HydrophobicContact CB-CG2 3.97Å; L398-V416 HydrophobicContact CD1-CB 4.28Å; L398-V416 HydrophobicContact CD1-CG1 4.21Å; L398-V416 HydrophobicContact CD1-CG2 4.11Å; L398-V416 HydrophobicContact CG-CG2 4.27Å; L398-F537 HydrophobicContact CD1-CE1 4.05Å; L398-F537 HydrophobicContact CD1-CZ 3.64Å; L398-F537 HydrophobicContact CD2-CE1 4.02Å; L398-F537 HydrophobicContact CD2-CZ 4.45Å; L398-F548 HydrophobicContact CB-CD1 3.87Å; L398-F548 HydrophobicContact CD1-CB 4.27Å; L398-F548 HydrophobicContact CD1-CD1 4.07Å; L398-F548 HydrophobicContact CD1-CG 4.29Å; L398-A550 HydrophobicContact CD2-CB 3.91Å; L398-W559 HydrophobicContact CD1-CD2 4Å; L398-W559 HydrophobicContact CD1-CE3 4.36Å; L398-W559 HydrophobicContact CD1-CG 4.34Å; L398-W559 HydrophobicContact CD1-CZ2 4.33Å; L398-W559 HydrophobicContact CD2-CD2 4.49Å; L398-W559 HydrophobicContact CD2-CG 4.24Å; L398-W559 HydrophobicContact CG-CD2 4.46Å; L398-W559 HydrophobicContact CG-CZ2 4.3Å
399Y90.8Very high71.7Confident73 Ų7377.5 Ų77.529%0.28640%0.402SS..EExtended strand (participates in β ladder)trans-86.9107.4170.8-63-82.4000109T412 K413 F548 E549 T551Y399-T412 CarbonylContact C-O 3.59Å; Y399-K413 HydrophobicContact CD1-CB 3.87Å; Y399-K413 HydrophobicContact CD1-CG 4.19Å; Y399-K413 HydrophobicContact CE1-CB 3.69Å; Y399-K413 HydrophobicContact CE1-CD 3.85Å; Y399-K413 HydrophobicContact CE1-CG 3.78Å; Y399-F548 CarbonylContact O-C 3.59Å; Y399-F548 WeakPolarHBondContact O-CA 3.36Å; Y399-E549 PolarHBondContact N-O 2.95Å; Y399-E549 PolarHBondContact O-N 3.2Å; Y399-T551 HydrophobicContact CE2-CG2 4.29Å
400K90.7Very high71.6Confident30 Ų3079.9 Ų79.913%0.1341%0.412CS..EExtended strand (participates in β ladder)trans-86119.3175.5-165.8-168.5178.2-59.20109.9L398 T412 K414 Y426 H547 F548L398-K400 PolarHBondContact O-N 2.92Å; K400-T412 PolarHBondContact N-O 2.76Å; K400-T412 PolarHBondContact O-N 2.92Å; K400-T412 PolarHBondContact O-OG1 3.07Å; K400-T412 VanDerWaalsContact O-OG1 3.1Å; K400-K414 HydrophobicContact CB-CG 3.91Å; K400-Y426 HydrophobicContact CD-CD2 4.14Å; K400-Y426 HydrophobicContact CD-CE2 3.69Å; K400-H547 WeakPolarHBondContact CA-O 3.43Å; K400-H547 WeakPolarHBondContact CG-O 3.22Å; K400-F548 HydrophobicContact CB-CD1 3.98Å; K400-F548 HydrophobicContact CB-CE1 3.89Å; K400-F548 HydrophobicContact CD-CE1 4.16Å; K400-F548 HydrophobicContact CD-CZ 4.31Å; K400-F548 HydrophobicContact CG-CD1 4.06Å; K400-F548 HydrophobicContact CG-CE1 3.8Å; K400-F548 HydrophobicContact CG-CZ 4.27Å
401R82.6Confident72Confident33 Ų3380 Ų8013%0.12540%0.399CS..EExtended strand (participates in β ladder)trans-64.8144.7170.2-94175.5159.9132.4-1.8111.2E409 K411 E536 H547R401-E409 IonicContact CZ-OE1 3.41Å; R401-E409 IonicContact CZ-OE2 3.32Å; R401-E409 VanDerWaalsContact CZ-OE2 3.24Å; R401-E409 VanDerWaalsContact NE-CD 3.27Å; R401-E409 IonicContact NE-OE1 3.87Å; R401-E409 PolarHBondContact NE-OE1 2.59Å; R401-E409 IonicContact NE-OE2 2.69Å; R401-E409 PolarHBondContact NE-OE2 3.5Å; R401-E409 IonicContact NH2-OE1 3.94Å; R401-E409 IonicContact NH2-OE2 2.68Å; R401-E409 PolarHBondContact NH2-OE2 2.9Å; R401-K411 HydrophobicContact CG-CG 4.03Å; R401-E536 VanDerWaalsContact CD-OE1 3.32Å; R401-E536 WeakPolarHBondContact CD-OE1 3.42Å; R401-E536 IonicContact CZ-OE1 3.72Å; R401-E536 IonicContact NE-OE1 2.85Å; R401-E536 IonicContact NH1-OE1 3.43Å; R401-E536 PolarHBondContact NH1-OE1 2.92Å; R401-E536 IonicContact NH1-OE2 2.69Å; R401-E536 PolarHBondContact NH1-OE2 3.48Å; R401-H547 HydrophobicContact CB-CB 3.83Å; R401-H547 PolarHBondContact N-O 3.13Å
402T68.8Low72.4Confident51 Ų5174.8 Ų74.831%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-129.791.8176.155.90000111.2K404 W410T402-K404 PolarHBondContact O-N 3.28Å; T402-W410 PolarHBondContact N-O 3.1Å; T402-W410 PolarHBondContact OG1-O 3.13Å
403C54.6Low72.7Confident95 Ų9578.5 Ų78.564%0.64239%0.389SS*.  trans-73.697.9-178.8-51.80000110.8
404K53.8Low73Confident122 Ų12276.3 Ų76.353%0.5338%0.376SS..  trans-89.9132.2162-70-177.5178.6179.10108.3T402 L406T402-K404 PolarHBondContact O-N 3.28Å; K404-L406 PolarHBondContact O-N 3.01Å
405P44.4Very low73.2Confident111 Ų11176.1 Ų76.172%0.72138%0.375SS*.THydrogen-bonded Turntrans-65.112.5-170.9-25.235.3000118.2R1025P405-R1025 PolarHBondContact O-NH1 2.83Å
406L44.8Very low73.3Confident133 Ų13371.5 Ų71.570%0.69635%0.353SS*.THydrogen-bonded Turntrans-154.93.7-159.3-108.8156.3000115.3K404K404-L406 PolarHBondContact O-N 3.01Å
407S40.6Very low73.4Confident57 Ų5770.9 Ų70.940%0.39935%0.346SS..SBendtrans-145.7150.4-176.561.60000113E409S407-E409 PolarHBondContact O-N 3.12Å
408K47.2Very low73.4Confident190 Ų19067.4 Ų67.483%0.82633%0.331SS*.SBendtrans-40.7133172.2-160.8172.5-171.6175.20111W410K408-W410 PolarHBondContact O-N 3.04Å; K408-W410 PolarHBondContact O-NE1 2.85Å
409E54.9Low73.2Confident101 Ų10168.5 Ų68.547%0.47234%0.338SS..  trans-56126.4-172.8-70.3-158.8120.900112.6R401 S407R401-E409 IonicContact CZ-OE1 3.41Å; R401-E409 IonicContact CZ-OE2 3.32Å; R401-E409 VanDerWaalsContact CZ-OE2 3.24Å; R401-E409 VanDerWaalsContact NE-CD 3.27Å; R401-E409 IonicContact NE-OE1 3.87Å; R401-E409 PolarHBondContact NE-OE1 2.59Å; R401-E409 IonicContact NE-OE2 2.69Å; R401-E409 PolarHBondContact NE-OE2 3.5Å; R401-E409 IonicContact NH2-OE1 3.94Å; R401-E409 IonicContact NH2-OE2 2.68Å; R401-E409 PolarHBondContact NH2-OE2 2.9Å; S407-E409 PolarHBondContact O-N 3.12Å
410W55.3Low72.9Confident150 Ų15069.8 Ų69.857%0.56835%0.35SS*.EExtended strand (participates in β ladder)trans-104.1106.5171.6-64-11.5000109.8T402 K408T402-W410 PolarHBondContact N-O 3.1Å; T402-W410 PolarHBondContact OG1-O 3.13Å; K408-W410 PolarHBondContact O-N 3.04Å; K408-W410 PolarHBondContact O-NE1 2.85Å
411K75.9Confident72.5Confident70 Ų7071 Ų7130%0.30436%0.358SS..EExtended strand (participates in β ladder)trans-81118.1170-64.6175.2174.9-165.60108R401 S532 E549R401-K411 HydrophobicContact CG-CG 4.03Å; K411-S532 PolarHBondContact NZ-OG 3.3Å; K411-E549 WeakPolarHBondContact CD-OE2 3.41Å; K411-E549 WeakPolarHBondContact CE-OE2 3.12Å; K411-E549 IonicContact NZ-OE1 3.48Å; K411-E549 PolarHBondContact NZ-OE1 3.21Å; K411-E549 IonicContact NZ-OE2 3.7Å; K411-E549 PolarHBondContact NZ-OE2 3.12Å
412T85.9Confident72.6Confident43 Ų4369.5 Ų69.526%0.26435%0.352SS..EExtended strand (participates in β ladder)trans-110.1122.2-17861.30000110.7Y399 K400 K414Y399-T412 CarbonylContact C-O 3.59Å; K400-T412 PolarHBondContact N-O 2.76Å; K400-T412 PolarHBondContact O-N 2.92Å; K400-T412 PolarHBondContact O-OG1 3.07Å; K400-T412 VanDerWaalsContact O-OG1 3.1Å; T412-K414 PolarHBondContact O-N 3.19Å; T412-K414 WeakPolarHBondContact OG1-CE 3.23Å
413K90.1Very high73.6Confident95 Ų9571.5 Ų71.541%0.41335%0.354SS..EExtended strand (participates in β ladder)trans-61.7137.5173.1-159.3168.5-174.2166.70109.6F397 Y399F397-K413 HydrophobicContact CB-CD 4.43Å; F397-K413 HydrophobicContact CB-CG 4.22Å; F397-K413 HydrophobicContact CD1-CD 4.26Å; F397-K413 HydrophobicContact CD1-CG 4.04Å; F397-K413 HydrophobicContact CG-CG 4.48Å; Y399-K413 HydrophobicContact CD1-CB 3.87Å; Y399-K413 HydrophobicContact CD1-CG 4.19Å; Y399-K413 HydrophobicContact CE1-CB 3.69Å; Y399-K413 HydrophobicContact CE1-CD 3.85Å; Y399-K413 HydrophobicContact CE1-CG 3.78Å
414K92.9Very high75.5Confident39 Ų3967 Ų6717%0.1732%0.323CS..EExtended strand (participates in β ladder)trans-135.5144.4177.6-63.3-68.9151.2-109.30108.8F397 L398 K400 T412 V416 Y426 H427F397-K414 VanDerWaalsContact CA-O 3.3Å; F397-K414 WeakPolarHBondContact CA-O 3.01Å; L398-K414 PolarHBondContact N-O 2.76Å; L398-K414 PolarHBondContact O-N 2.93Å; K400-K414 HydrophobicContact CB-CG 3.91Å; T412-K414 PolarHBondContact O-N 3.19Å; T412-K414 WeakPolarHBondContact OG1-CE 3.23Å; K414-V416 HydrophobicContact CB-CG2 4.2Å; K414-Y426 HydrophobicContact CD-CD2 4.29Å; K414-Y426 HydrophobicContact CG-CD2 4.27Å; K414-H427 WeakPolarHBondContact CA-O 3.27Å; K414-H427 WeakPolarHBondContact CB-O 3.45Å; K414-H427 VanDerWaalsContact CD-O 3.32Å; K414-H427 WeakPolarHBondContact CD-O 3.43Å
415Y94Very high77.4Confident20 Ų2062.6 Ų62.68%0.07831%0.307CS..EExtended strand (participates in β ladder)trans-82.3129.9165.4-168.5-101000107.7Q395 G396 F397 T417 Y426 H427 I430 Y433Q395-Y415 PolarHBondContact OE1-OH 3.48Å; Q395-Y415 VanDerWaalsContact OE1-OH 3.11Å; G396-Y415 WeakPolarHBondContact O-CD2 3.44Å; F397-Y415 HydrophobicContact CD1-CD2 4.07Å; F397-Y415 HydrophobicContact CD2-CD2 4.41Å; F397-Y415 AromaticContact CE1-CD2 3.73Å; F397-Y415 HydrophobicContact CE1-CD2 3.73Å; F397-Y415 HydrophobicContact CE1-CG 4.41Å; F397-Y415 HydrophobicContact CE2-CD2 4.09Å; F397-Y415 HydrophobicContact CE2-CE2 4.4Å; F397-Y415 HydrophobicContact CG-CD2 4.4Å; F397-Y415 AromaticContact CZ-CD2 3.74Å; F397-Y415 HydrophobicContact CZ-CD2 3.74Å; F397-Y415 HydrophobicContact CZ-CE2 4.38Å; Y415-T417 HydrophobicContact CD1-CG2 4.38Å; Y415-T417 HydrophobicContact CE1-CG2 3.8Å; Y415-Y426 CarbonylContact O-C 3.54Å; Y415-Y426 VanDerWaalsContact O-CA 3.31Å; Y415-Y426 WeakPolarHBondContact O-CA 3.16Å; Y415-H427 PolarHBondContact N-O 3.32Å; Y415-H427 PolarHBondContact O-N 2.84Å; Y415-I430 HydrophobicContact CD1-CG1 4.49Å; Y415-I430 HydrophobicContact CD2-CB 3.96Å; Y415-I430 HydrophobicContact CD2-CD1 4.15Å; Y415-I430 HydrophobicContact CD2-CG1 3.94Å; Y415-I430 HydrophobicContact CE1-CG1 4.41Å; Y415-I430 HydrophobicContact CE2-CB 4.36Å; Y415-I430 HydrophobicContact CE2-CD1 3.7Å; Y415-I430 HydrophobicContact CE2-CG1 3.86Å; Y415-I430 HydrophobicContact CG-CB 4.16Å; Y415-I430 HydrophobicContact CG-CG1 4.25Å; Y415-Y433 AromaticContact CD1-CD1 3.85Å; Y415-Y433 HydrophobicContact CD1-CD1 3.85Å; Y415-Y433 HydrophobicContact CD1-CD2 4.34Å; Y415-Y433 AromaticContact CD1-CG 3.69Å; Y415-Y433 HydrophobicContact CD1-CG 3.69Å; Y415-Y433 AromaticContact CE1-CD1 3.38Å; Y415-Y433 HydrophobicContact CE1-CD1 3.38Å; Y415-Y433 HydrophobicContact CE1-CD2 4.31Å; Y415-Y433 AromaticContact CE1-CE1 3.74Å; Y415-Y433 HydrophobicContact CE1-CE1 3.74Å; Y415-Y433 AromaticContact CE1-CG 3.68Å; Y415-Y433 HydrophobicContact CE1-CG 3.68Å
416V94.4Very high79.7Confident0 Ų058.6 Ų58.60%028%0.277CS..EExtended strand (participates in β ladder)trans-126.8140.1-172.1-176.80000109.9Q395 G396 L398 K414 L424 T425 F548 W559Q395-V416 VanDerWaalsContact CA-O 3.26Å; Q395-V416 WeakPolarHBondContact CA-O 3.12Å; G396-V416 PolarHBondContact N-O 2.9Å; G396-V416 PolarHBondContact O-N 2.81Å; L398-V416 HydrophobicContact CB-CG2 3.97Å; L398-V416 HydrophobicContact CD1-CB 4.28Å; L398-V416 HydrophobicContact CD1-CG1 4.21Å; L398-V416 HydrophobicContact CD1-CG2 4.11Å; L398-V416 HydrophobicContact CG-CG2 4.27Å; K414-V416 HydrophobicContact CB-CG2 4.2Å; V416-L424 HydrophobicContact CG1-CD1 4.06Å; V416-L424 HydrophobicContact CG1-CD2 3.68Å; V416-L424 HydrophobicContact CG1-CG 3.79Å; V416-T425 WeakPolarHBondContact CA-O 3.31Å; V416-F548 HydrophobicContact CG2-CE1 4.34Å; V416-W559 HydrophobicContact CB-CH2 3.95Å; V416-W559 HydrophobicContact CB-CZ2 4.41Å; V416-W559 HydrophobicContact CG1-CH2 3.89Å; V416-W559 HydrophobicContact CG1-CZ3 4.02Å
417T93.6Very high82Confident3 Ų353 Ų532%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-138.6124.5-176.731.40000110.2P392 Q395 Y415 T425 Y433P392-T417 HydrophobicContact CB-CG2 4.01Å; P392-T417 HydrophobicContact CG-CG2 4Å; Q395-T417 HydrophobicContact CB-CG2 3.73Å; Y415-T417 HydrophobicContact CD1-CG2 4.38Å; Y415-T417 HydrophobicContact CE1-CG2 3.8Å; T417-T425 PolarHBondContact N-O 2.71Å; T417-T425 PolarHBondContact O-N 3.07Å; T417-T425 PolarHBondContact O-OG1 3.42Å; T417-T425 VanDerWaalsContact O-OG1 3.04Å; T417-T425 PolarHBondContact OG1-O 3.48Å; T417-T425 PolarHBondContact OG1-OG1 3.01Å; T417-Y433 HydrophobicContact CG2-CD2 4.36Å; T417-Y433 HydrophobicContact CG2-CE2 3.82Å
418L93.5Very high84.3Confident0 Ų053 Ų530%025%0.246CC..EExtended strand (participates in β ladder)trans-104.4130.2176.6173.469000109.9P392 L393 K394 L424 L444 W559 H562 I563 A566P392-L418 CarbonylContact C-O 3.52Å; P392-L418 WeakPolarHBondContact CA-O 3.1Å; P392-L418 VanDerWaalsContact CB-O 3.3Å; P392-L418 WeakPolarHBondContact CB-O 3.23Å; L393-L418 HydrophobicContact CB-CD2 4.31Å; L393-L418 HydrophobicContact CB-CG 4.35Å; L393-L418 PolarHBondContact N-O 3.11Å; K394-L418 PolarHBondContact O-N 3.25Å; L418-L424 HydrophobicContact CD1-CB 4.31Å; L418-L424 HydrophobicContact CD1-CD1 4.48Å; L418-L444 HydrophobicContact CD1-CD1 3.37Å; L418-W559 HydrophobicContact CB-CZ3 4.42Å; L418-H562 HydrophobicContact CD2-CB 3.72Å; L418-H562 WeakPolarHBondContact CD2-O 3.43Å; L418-I563 HydrophobicContact CD1-CG1 4.42Å; L418-I563 HydrophobicContact CD2-CG1 4.13Å; L418-A566 HydrophobicContact CD1-CB 4.14Å; L418-A566 HydrophobicContact CD2-CB 4.41Å
419T88.8Confident86.1Confident23 Ų2345.8 Ų45.814%0.14122%0.22CC..  trans-105.9163.417649.30000112.9D421 A422 R423T419-D421 VanDerWaalsContact CB-OD1 3.23Å; T419-D421 WeakPolarHBondContact CB-OD1 3.19Å; T419-D421 PolarHBondContact OG1-OD1 3.43Å; T419-A422 PolarHBondContact O-N 3.01Å; T419-R423 PolarHBondContact N-O 3.46Å; T419-R423 PolarHBondContact OG1-O 2.9Å; T419-R423 VanDerWaalsContact OG1-O 3.08Å
420D83.9Confident87.6Confident99 Ų9943.9 Ų43.953%0.52921%0.212SC..THydrogen-bonded Turntrans-72.9-25.8-178.962.3-35.8000113.9L393 A422L393-D420 HydrophobicContact CD1-CB 4.2Å; L393-D420 HydrophobicContact CD2-CB 4.23Å; L393-D420 HydrophobicContact CG-CB 4.18Å; D420-A422 PolarHBondContact O-N 3.17Å; D420-A422 VanDerWaalsContact O-N 3.11Å
421D82.3Confident89Confident57 Ų5742.6 Ų42.631%0.30521%0.212SC..THydrogen-bonded Turntrans-71.17.7167.370.7-12.4000114.1T419 R423 R570T419-D421 VanDerWaalsContact CB-OD1 3.23Å; T419-D421 WeakPolarHBondContact CB-OD1 3.19Å; T419-D421 PolarHBondContact OG1-OD1 3.43Å; D421-R423 WeakPolarHBondContact OD1-CD 3.47Å; D421-R423 WeakPolarHBondContact OD2-CD 3.34Å; D421-R423 IonicContact OD2-CZ 3.37Å; D421-R423 IonicContact OD2-NE 3.95Å; D421-R423 IonicContact OD2-NH1 2.76Å; D421-R423 PolarHBondContact OD2-NH1 3.26Å; D421-R570 WeakPolarHBondContact O-CD 3.19Å; D421-R570 PolarHBondContact O-NE 3.22Å
422A85.6Confident89.6Confident0 Ų040.7 Ų40.70%021%0.206CC..SBendtrans64.247.9178.200000114.4T419 D420 L444 A566 R570T419-A422 PolarHBondContact O-N 3.01Å; D420-A422 PolarHBondContact O-N 3.17Å; D420-A422 VanDerWaalsContact O-N 3.11Å; A422-L444 HydrophobicContact CB-CB 4.25Å; A422-L444 WeakPolarHBondContact O-CB 3.26Å; A422-L444 WeakPolarHBondContact O-CG 3.34Å; A422-L444 PolarHBondContact O-N 3.05Å; A422-A566 HydrophobicContact CB-CB 4.15Å; A422-R570 HydrophobicContact CB-CB 3.64Å; A422-R570 HydrophobicContact CB-CG 3.95Å
423R90.1Very high89.6Confident94 Ų9440.4 Ų40.436%0.35520%0.2SC..EExtended strand (participates in β ladder)trans-116.5138.5170-62.2147.681.3-163.1-3.2109.8T419 D421 E441 I442T419-R423 PolarHBondContact N-O 3.46Å; T419-R423 PolarHBondContact OG1-O 2.9Å; T419-R423 VanDerWaalsContact OG1-O 3.08Å; D421-R423 WeakPolarHBondContact OD1-CD 3.47Å; D421-R423 WeakPolarHBondContact OD2-CD 3.34Å; D421-R423 IonicContact OD2-CZ 3.37Å; D421-R423 IonicContact OD2-NE 3.95Å; D421-R423 IonicContact OD2-NH1 2.76Å; D421-R423 PolarHBondContact OD2-NH1 3.26Å; R423-E441 HydrophobicContact CB-CG 4.23Å; R423-E441 IonicContact CZ-OE1 3.8Å; R423-E441 IonicContact CZ-OE2 3.43Å; R423-E441 IonicContact NE-OE1 3.73Å; R423-E441 PolarHBondContact NE-OE1 2.9Å; R423-E441 IonicContact NE-OE2 2.74Å; R423-E441 PolarHBondContact NE-OE2 3.47Å; R423-E441 VanDerWaalsContact NH2-CD 3.34Å; R423-E441 IonicContact NH2-OE1 3.36Å; R423-E441 PolarHBondContact NH2-OE1 3.38Å; R423-E441 IonicContact NH2-OE2 3.25Å; R423-E441 PolarHBondContact NH2-OE2 3.35Å; R423-I442 WeakPolarHBondContact CA-O 3.22Å
424L93.5Very high89.3Confident0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-113.7110.9174.8-174.8143000109.1V416 L418 E441 I442 L444 L539 F548 I563V416-L424 HydrophobicContact CG1-CD1 4.06Å; V416-L424 HydrophobicContact CG1-CD2 3.68Å; V416-L424 HydrophobicContact CG1-CG 3.79Å; L418-L424 HydrophobicContact CD1-CB 4.31Å; L418-L424 HydrophobicContact CD1-CD1 4.48Å; L424-E441 CarbonylContact O-C 3.59Å; L424-I442 HydrophobicContact CB-CB 4.41Å; L424-I442 HydrophobicContact CD2-CD1 3.96Å; L424-I442 PolarHBondContact N-O 3.32Å; L424-I442 WeakPolarHBondContact O-CB 3.21Å; L424-I442 PolarHBondContact O-N 3.06Å; L424-L444 HydrophobicContact CB-CD1 4.14Å; L424-L444 HydrophobicContact CB-CD2 4.13Å; L424-L444 HydrophobicContact CB-CG 4.25Å; L424-L539 HydrophobicContact CD1-CD1 4.35Å; L424-L539 HydrophobicContact CD2-CD1 4.27Å; L424-F548 HydrophobicContact CD2-CE2 4.34Å; L424-F548 HydrophobicContact CD2-CZ 4.16Å; L424-I563 HydrophobicContact CD1-CD1 3.59Å; L424-I563 HydrophobicContact CD1-CG1 3.87Å
425T93Very high88.8Confident29 Ų2945.3 Ų45.318%0.17823%0.23CC..EExtended strand (participates in β ladder)trans-99.1140.5179.943.10000110.4V416 T417 K440 E441V416-T425 WeakPolarHBondContact CA-O 3.31Å; T417-T425 PolarHBondContact N-O 2.71Å; T417-T425 PolarHBondContact O-N 3.07Å; T417-T425 PolarHBondContact O-OG1 3.42Å; T417-T425 VanDerWaalsContact O-OG1 3.04Å; T417-T425 PolarHBondContact OG1-O 3.48Å; T417-T425 PolarHBondContact OG1-OG1 3.01Å; T425-K440 CarbonylContact C-O 3.29Å; T425-K440 WeakPolarHBondContact CA-O 3.16Å; T425-E441 HydrophobicContact CG2-CB 4.2Å; T425-E441 HydrophobicContact CG2-CG 3.97Å
426Y94Very high88.1Confident28 Ų2849.8 Ų49.811%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-135.4130.1176.966.3-83.1000112K400 K414 Y415 K440 I442 F548K400-Y426 HydrophobicContact CD-CD2 4.14Å; K400-Y426 HydrophobicContact CD-CE2 3.69Å; K414-Y426 HydrophobicContact CD-CD2 4.29Å; K414-Y426 HydrophobicContact CG-CD2 4.27Å; Y415-Y426 CarbonylContact O-C 3.54Å; Y415-Y426 VanDerWaalsContact O-CA 3.31Å; Y415-Y426 WeakPolarHBondContact O-CA 3.16Å; Y426-K440 HydrophobicContact CD1-CB 4.13Å; Y426-K440 WeakPolarHBondContact CD1-O 3.33Å; Y426-K440 HydrophobicContact CD2-CB 4.31Å; Y426-K440 HydrophobicContact CE1-CB 3.61Å; Y426-K440 HydrophobicContact CE2-CB 3.84Å; Y426-K440 HydrophobicContact CE2-CD 4.15Å; Y426-K440 HydrophobicContact CE2-CG 4.46Å; Y426-K440 HydrophobicContact CG-CB 4.44Å; Y426-K440 VanDerWaalsContact CZ-CB 3.45Å; Y426-K440 PolarHBondContact N-O 3.45Å; Y426-K440 PolarHBondContact O-N 2.56Å; Y426-I442 HydrophobicContact CD1-CD1 4.09Å; Y426-I442 HydrophobicContact CD1-CG1 4.23Å; Y426-I442 HydrophobicContact CE1-CD1 3.84Å; Y426-I442 HydrophobicContact CE1-CG1 3.86Å; Y426-F548 HydrophobicContact CD1-CZ 4.24Å; Y426-F548 HydrophobicContact CG-CZ 4.39Å
427H92.4Very high87.2Confident14 Ų1451.3 Ų51.37%0.06527%0.266CS..EExtended strand (participates in β ladder)trans-114.5152.2-175.5-69.2-105.7000111K414 Y415 S429 D432 Y433 S437 G439K414-H427 WeakPolarHBondContact CA-O 3.27Å; K414-H427 WeakPolarHBondContact CB-O 3.45Å; K414-H427 VanDerWaalsContact CD-O 3.32Å; K414-H427 WeakPolarHBondContact CD-O 3.43Å; Y415-H427 PolarHBondContact N-O 3.32Å; Y415-H427 PolarHBondContact O-N 2.84Å; H427-S429 VanDerWaalsContact C-N 3.31Å; H427-S429 WeakPolarHBondContact CB-O 3.25Å; H427-S429 PolarHBondContact O-N 3.03Å; H427-D432 HydrophobicContact CB-CB 4.16Å; H427-D432 PolarHBondContact ND1-O 3.4Å; H427-Y433 AromaticContact CD2-CD2 3.94Å; H427-Y433 WeakPolarHBondContact ND1-CA 3.44Å; H427-Y433 PolarHBondContact ND1-N 3.47Å; H427-Y433 AromaticContact NE2-CD2 3.8Å; H427-S437 PolarHBondContact CE1-O 2.68Å; H427-S437 PolarHBondContact ND1-O 3.39Å; H427-G439 WeakPolarHBondContact CE1-CA 3.43Å; H427-G439 WeakPolarHBondContact ND1-CA 3.33Å; H427-G439 PolarHBondContact ND1-N 2.66Å
428P88.5Confident86.5Confident58 Ų5857.9 Ų57.938%0.37730%0.296SS..SBendtrans-57.4-40.9179.1-22.832000113.5D432 H438P428-D432 WeakPolarHBondContact CB-OD2 3.35Å; P428-D432 HydrophobicContact CG-CB 4.49Å; P428-H438 HydrophobicContact CG-CB 3.73Å
429S86.2Confident86.1Confident39 Ų3959.8 Ų59.827%0.27332%0.316SS..SBendtrans-141.3175.9174.178.30000111.5H427 H431 D432 Y433H427-S429 VanDerWaalsContact C-N 3.31Å; H427-S429 WeakPolarHBondContact CB-O 3.25Å; H427-S429 PolarHBondContact O-N 3.03Å; S429-H431 VanDerWaalsContact C-N 3.28Å; S429-H431 PolarHBondContact OG-N 3.49Å; S429-D432 WeakPolarHBondContact CA-OD2 3.2Å; S429-D432 WeakPolarHBondContact CB-OD2 3.45Å; S429-D432 PolarHBondContact N-OD2 2.98Å; S429-D432 PolarHBondContact OG-N 3.33Å; S429-D432 PolarHBondContact OG-OD2 2.76Å; S429-Y433 PolarHBondContact O-N 2.8Å
430I85.9Confident86.1Confident60 Ų6065 Ų6531%0.30834%0.337SS..Hα-helixtrans-68.7-25.9172-166.9170.8000112.6F397 Y415 Y433 M434F397-I430 HydrophobicContact CZ-CB 4.18Å; F397-I430 HydrophobicContact CZ-CG2 4.48Å; Y415-I430 HydrophobicContact CD1-CG1 4.49Å; Y415-I430 HydrophobicContact CD2-CB 3.96Å; Y415-I430 HydrophobicContact CD2-CD1 4.15Å; Y415-I430 HydrophobicContact CD2-CG1 3.94Å; Y415-I430 HydrophobicContact CE1-CG1 4.41Å; Y415-I430 HydrophobicContact CE2-CB 4.36Å; Y415-I430 HydrophobicContact CE2-CD1 3.7Å; Y415-I430 HydrophobicContact CE2-CG1 3.86Å; Y415-I430 HydrophobicContact CG-CB 4.16Å; Y415-I430 HydrophobicContact CG-CG1 4.25Å; I430-Y433 WeakPolarHBondContact O-CB 3.36Å; I430-Y433 PolarHBondContact O-N 3.34Å; I430-M434 WeakPolarHBondContact O-CB 3.41Å; I430-M434 VanDerWaalsContact O-CG 3.29Å; I430-M434 WeakPolarHBondContact O-CG 3.26Å; I430-M434 PolarHBondContact O-N 3.23Å
431H84.9Confident86.4Confident124 Ų12464.7 Ų64.757%0.57433%0.333SS*.Hα-helixtrans-69.9-43.1175.2-60.1106.5000111S429 Y433 M434 D435S429-H431 VanDerWaalsContact C-N 3.28Å; S429-H431 PolarHBondContact OG-N 3.49Å; H431-Y433 PolarHBondContact O-N 3.25Å; H431-M434 CarbonylContact O-C 3.54Å; H431-M434 WeakPolarHBondContact O-CA 3.49Å; H431-M434 WeakPolarHBondContact O-CB 3.49Å; H431-M434 PolarHBondContact O-N 2.8Å; H431-D435 WeakPolarHBondContact O-CB 3.49Å; H431-D435 PolarHBondContact O-N 3.25Å
432D87.9Confident86.9Confident30 Ų3062.1 Ų62.116%0.1632%0.319CS..Hα-helixtrans-60.3-37.2174.9-51.2-87.3000111.4H427 P428 S429 D435 N436 S437 H438H427-D432 HydrophobicContact CB-CB 4.16Å; H427-D432 PolarHBondContact ND1-O 3.4Å; P428-D432 WeakPolarHBondContact CB-OD2 3.35Å; P428-D432 HydrophobicContact CG-CB 4.49Å; S429-D432 WeakPolarHBondContact CA-OD2 3.2Å; S429-D432 WeakPolarHBondContact CB-OD2 3.45Å; S429-D432 PolarHBondContact N-OD2 2.98Å; S429-D432 PolarHBondContact OG-N 3.33Å; S429-D432 PolarHBondContact OG-OD2 2.76Å; D432-D435 PolarHBondContact O-N 3.35Å; D432-N436 PolarHBondContact O-N 2.96Å; D432-S437 CarbonylContact C-O 3.46Å; D432-S437 WeakPolarHBondContact CA-OG 3.32Å; D432-S437 WeakPolarHBondContact CB-O 3.48Å; D432-S437 PolarHBondContact O-N 2.9Å; D432-S437 PolarHBondContact O-OG 3.37Å; D432-H438 HydrophobicContact CB-CB 4.42Å; D432-H438 IonicContact OD1-CD2 2.84Å; D432-H438 PolarHBondContact OD1-CD2 3.29Å
433Y86.4Confident87Confident36 Ų3665.7 Ų65.714%0.14134%0.338CS..Hα-helixtrans-62.3-52.1168.4173-108.5000111.1R389 Y415 T417 H427 S429 I430 H431 D435 N436R389-Y433 PolarHBondContact NH1-O 2.88Å; R389-Y433 PolarHBondContact NH2-O 3.18Å; Y415-Y433 AromaticContact CD1-CD1 3.85Å; Y415-Y433 HydrophobicContact CD1-CD1 3.85Å; Y415-Y433 HydrophobicContact CD1-CD2 4.34Å; Y415-Y433 AromaticContact CD1-CG 3.69Å; Y415-Y433 HydrophobicContact CD1-CG 3.69Å; Y415-Y433 AromaticContact CE1-CD1 3.38Å; Y415-Y433 HydrophobicContact CE1-CD1 3.38Å; Y415-Y433 HydrophobicContact CE1-CD2 4.31Å; Y415-Y433 AromaticContact CE1-CE1 3.74Å; Y415-Y433 HydrophobicContact CE1-CE1 3.74Å; Y415-Y433 AromaticContact CE1-CG 3.68Å; Y415-Y433 HydrophobicContact CE1-CG 3.68Å; T417-Y433 HydrophobicContact CG2-CD2 4.36Å; T417-Y433 HydrophobicContact CG2-CE2 3.82Å; H427-Y433 AromaticContact CD2-CD2 3.94Å; H427-Y433 WeakPolarHBondContact ND1-CA 3.44Å; H427-Y433 PolarHBondContact ND1-N 3.47Å; H427-Y433 AromaticContact NE2-CD2 3.8Å; S429-Y433 PolarHBondContact O-N 2.8Å; I430-Y433 WeakPolarHBondContact O-CB 3.36Å; I430-Y433 PolarHBondContact O-N 3.34Å; H431-Y433 PolarHBondContact O-N 3.25Å; Y433-D435 PolarHBondContact O-N 2.88Å; Y433-D435 VanDerWaalsContact O-N 3.14Å; Y433-N436 PolarHBondContact O-N 2.75Å
434M84.2Confident87Confident114 Ų11461.2 Ų61.256%0.56232%0.321SS*.Hα-helixtrans-57.7-25.7178.2-73.617968.100114R389 I430 H431R389-M434 PolarHBondContact NH2-O 3.18Å; I430-M434 WeakPolarHBondContact O-CB 3.41Å; I430-M434 VanDerWaalsContact O-CG 3.29Å; I430-M434 WeakPolarHBondContact O-CG 3.26Å; I430-M434 PolarHBondContact O-N 3.23Å; H431-M434 CarbonylContact O-C 3.54Å; H431-M434 WeakPolarHBondContact O-CA 3.49Å; H431-M434 WeakPolarHBondContact O-CB 3.49Å; H431-M434 PolarHBondContact O-N 2.8Å
435D82.7Confident86.5Confident123 Ų12363.3 Ų63.366%0.65834%0.336SS*.THydrogen-bonded Turntrans-97.81.5177.8-63.1-28.6000113.7H431 D432 Y433 S437H431-D435 WeakPolarHBondContact O-CB 3.49Å; H431-D435 PolarHBondContact O-N 3.25Å; D432-D435 PolarHBondContact O-N 3.35Å; Y433-D435 PolarHBondContact O-N 2.88Å; Y433-D435 VanDerWaalsContact O-N 3.14Å; D435-S437 PolarHBondContact O-N 2.98Å
436N79Confident85.9Confident114 Ų11468.7 Ų68.761%0.6135%0.353SS*.THydrogen-bonded Turntrans55.223.6-169.9-79.2-17.2000113.8R389 D432 Y433R389-N436 PolarHBondContact NE-OD1 3.4Å; R389-N436 VanDerWaalsContact NE-OD1 3.12Å; R389-N436 VanDerWaalsContact NH2-CG 3.3Å; R389-N436 PolarHBondContact NH2-OD1 3.25Å; R389-N436 VanDerWaalsContact NH2-OD1 3.11Å; D432-N436 PolarHBondContact O-N 2.96Å; Y433-N436 PolarHBondContact O-N 2.75Å
437S75.9Confident85.5Confident33 Ų3367.7 Ų67.723%0.23135%0.349CS..  trans-99157.6-17871.70000112H427 D432 D435 G439H427-S437 PolarHBondContact CE1-O 2.68Å; H427-S437 PolarHBondContact ND1-O 3.39Å; D432-S437 CarbonylContact C-O 3.46Å; D432-S437 WeakPolarHBondContact CA-OG 3.32Å; D432-S437 WeakPolarHBondContact CB-O 3.48Å; D432-S437 PolarHBondContact O-N 2.9Å; D432-S437 PolarHBondContact O-OG 3.37Å; D435-S437 PolarHBondContact O-N 2.98Å; S437-G439 PolarHBondContact O-N 2.86Å
438H78.1Confident85.4Confident140 Ų14070.9 Ų70.965%0.64837%0.37SS*.SBendtrans51.811.3170.7-55.5-62.3000118.1P428 D432P428-H438 HydrophobicContact CG-CB 3.73Å; D432-H438 HydrophobicContact CB-CB 4.42Å; D432-H438 IonicContact OD1-CD2 2.84Å; D432-H438 PolarHBondContact OD1-CD2 3.29Å
439G83.8Confident85.5Confident41 Ų4168.7 Ų68.742%0.42336%0.356SS..  trans-63.9141.817700000112.1H427 S437H427-G439 WeakPolarHBondContact CE1-CA 3.43Å; H427-G439 WeakPolarHBondContact ND1-CA 3.33Å; H427-G439 PolarHBondContact ND1-N 2.66Å; S437-G439 PolarHBondContact O-N 2.86Å
440K90.6Very high85.6Confident131 Ų13171.5 Ų71.557%0.5736%0.363SS*.EExtended strand (participates in β ladder)trans-122.5135.1171.1-68.2-169.7178-169.90109.6T425 Y426T425-K440 CarbonylContact C-O 3.29Å; T425-K440 WeakPolarHBondContact CA-O 3.16Å; Y426-K440 HydrophobicContact CD1-CB 4.13Å; Y426-K440 WeakPolarHBondContact CD1-O 3.33Å; Y426-K440 HydrophobicContact CD2-CB 4.31Å; Y426-K440 HydrophobicContact CE1-CB 3.61Å; Y426-K440 HydrophobicContact CE2-CB 3.84Å; Y426-K440 HydrophobicContact CE2-CD 4.15Å; Y426-K440 HydrophobicContact CE2-CG 4.46Å; Y426-K440 HydrophobicContact CG-CB 4.44Å; Y426-K440 VanDerWaalsContact CZ-CB 3.45Å; Y426-K440 PolarHBondContact N-O 3.45Å; Y426-K440 PolarHBondContact O-N 2.56Å
441E90.3Very high85.7Confident94 Ų9470.2 Ų70.244%0.43936%0.356SS..EExtended strand (participates in β ladder)trans-102.1152.3-174.4-164.1175.5122.400111.7R423 L424 T425R423-E441 HydrophobicContact CB-CG 4.23Å; R423-E441 IonicContact CZ-OE1 3.8Å; R423-E441 IonicContact CZ-OE2 3.43Å; R423-E441 IonicContact NE-OE1 3.73Å; R423-E441 PolarHBondContact NE-OE1 2.9Å; R423-E441 IonicContact NE-OE2 2.74Å; R423-E441 PolarHBondContact NE-OE2 3.47Å; R423-E441 VanDerWaalsContact NH2-CD 3.34Å; R423-E441 IonicContact NH2-OE1 3.36Å; R423-E441 PolarHBondContact NH2-OE1 3.38Å; R423-E441 IonicContact NH2-OE2 3.25Å; R423-E441 PolarHBondContact NH2-OE2 3.35Å; L424-E441 CarbonylContact O-C 3.59Å; T425-E441 HydrophobicContact CG2-CB 4.2Å; T425-E441 HydrophobicContact CG2-CG 3.97Å
442I90.9Very high85.3Confident2 Ų265.8 Ų65.81%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-131.7112.2169.9-56.2178.7000106.3R423 L424 Y426 L444 L539 W546 F548R423-I442 WeakPolarHBondContact CA-O 3.22Å; L424-I442 HydrophobicContact CB-CB 4.41Å; L424-I442 HydrophobicContact CD2-CD1 3.96Å; L424-I442 PolarHBondContact N-O 3.32Å; L424-I442 WeakPolarHBondContact O-CB 3.21Å; L424-I442 PolarHBondContact O-N 3.06Å; Y426-I442 HydrophobicContact CD1-CD1 4.09Å; Y426-I442 HydrophobicContact CD1-CG1 4.23Å; Y426-I442 HydrophobicContact CE1-CD1 3.84Å; Y426-I442 HydrophobicContact CE1-CG1 3.86Å; I442-L444 HydrophobicContact CG2-CD2 4.08Å; I442-L444 PolarHBondContact O-N 3.38Å; I442-L539 HydrophobicContact CD1-CD1 4.08Å; I442-L539 HydrophobicContact CG2-CD1 4.42Å; I442-W546 HydrophobicContact CB-CZ2 4.48Å; I442-W546 HydrophobicContact CD1-CB 3.98Å; I442-W546 HydrophobicContact CD1-CD2 3.58Å; I442-W546 HydrophobicContact CD1-CE3 4.19Å; I442-W546 HydrophobicContact CD1-CG 3.47Å; I442-W546 VanDerWaalsContact CD1-CG 3.47Å; I442-W546 HydrophobicContact CD1-CZ2 4.43Å; I442-W546 HydrophobicContact CG1-CD2 4.05Å; I442-W546 HydrophobicContact CG1-CG 4.34Å; I442-W546 HydrophobicContact CG1-CZ2 3.97Å; I442-W546 HydrophobicContact CG2-CD2 4.34Å; I442-W546 HydrophobicContact CG2-CE3 4.04Å; I442-W546 HydrophobicContact CG2-CH2 3.8Å; I442-W546 HydrophobicContact CG2-CZ2 4.1Å; I442-W546 HydrophobicContact CG2-CZ3 3.77Å; I442-F548 HydrophobicContact CD1-CE2 3.87Å; I442-F548 HydrophobicContact CD1-CZ 4.07Å
443D89.1Confident84.4Confident75 Ų7568.8 Ų68.840%0.40138%0.377SS..EExtended strand (participates in β ladder)trans-70.5119168.6174.47.5000108.7S445 T447D443-S445 VanDerWaalsContact CG-OG 3.22Å; D443-S445 WeakPolarHBondContact OD1-CB 3.39Å; D443-S445 PolarHBondContact OD1-N 2.85Å; D443-S445 PolarHBondContact OD1-OG 3.41Å; D443-S445 PolarHBondContact OD2-OG 2.86Å; D443-T447 PolarHBondContact O-OG1 2.97Å
444L90.3Very high83.3Confident0 Ų069.7 Ų69.70%039%0.386CS..SBendtrans-84.9-14.9-179.1-56.3172.7000112.8L418 A422 L424 I442 R446 T447 L539 I563 I567L418-L444 HydrophobicContact CD1-CD1 3.37Å; A422-L444 HydrophobicContact CB-CB 4.25Å; A422-L444 WeakPolarHBondContact O-CB 3.26Å; A422-L444 WeakPolarHBondContact O-CG 3.34Å; A422-L444 PolarHBondContact O-N 3.05Å; L424-L444 HydrophobicContact CB-CD1 4.14Å; L424-L444 HydrophobicContact CB-CD2 4.13Å; L424-L444 HydrophobicContact CB-CG 4.25Å; I442-L444 HydrophobicContact CG2-CD2 4.08Å; I442-L444 PolarHBondContact O-N 3.38Å; L444-R446 PolarHBondContact O-N 3.12Å; L444-R446 VanDerWaalsContact O-N 3.08Å; L444-T447 HydrophobicContact CD2-CG2 4.34Å; L444-T447 PolarHBondContact O-N 3.33Å; L444-L539 HydrophobicContact CD2-CD1 4.15Å; L444-I563 HydrophobicContact CD1-CG2 3.96Å; L444-I563 HydrophobicContact CD2-CG2 4.11Å; L444-I567 HydrophobicContact CB-CD1 4.24Å; L444-I567 HydrophobicContact CB-CG1 3.7Å
445S82.5Confident81.6Confident45 Ų4568.6 Ų68.632%0.31540%0.395SS..THydrogen-bonded Turntrans-61.5-22.7-175.473.70000114.1D443D443-S445 VanDerWaalsContact CG-OG 3.22Å; D443-S445 WeakPolarHBondContact OD1-CB 3.39Å; D443-S445 PolarHBondContact OD1-N 2.85Å; D443-S445 PolarHBondContact OD1-OG 3.41Å; D443-S445 PolarHBondContact OD2-OG 2.86Å
446R80.7Confident79.8Confident141 Ų14168 Ų6853%0.53239%0.386SS..THydrogen-bonded Turntrans-12015.9175.7-63.9-177.3170.9-168.3-5.3113.3L444L444-R446 PolarHBondContact O-N 3.12Å; L444-R446 VanDerWaalsContact O-N 3.08Å
447T86.4Confident78.1Confident7 Ų771.9 Ų71.94%0.04339%0.392CS..  trans-116146.8-175.3-61.50000111D443 L444 L539 I540 W546D443-T447 PolarHBondContact O-OG1 2.97Å; L444-T447 HydrophobicContact CD2-CG2 4.34Å; L444-T447 PolarHBondContact O-N 3.33Å; T447-L539 HydrophobicContact CG2-CB 3.83Å; T447-I540 CarbonylContact C-O 3.43Å; T447-I540 WeakPolarHBondContact CA-O 3.49Å; T447-W546 HydrophobicContact CG2-CZ3 4.37Å
448T88.4Confident76.3Confident82 Ų8272.3 Ų72.350%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-116.4156.7176.5550000111.3L539 I540T448-L539 CarbonylContact O-C 3.43Å; T448-L539 WeakPolarHBondContact O-CA 3.15Å; T448-I540 PolarHBondContact N-O 3.24Å; T448-I540 PolarHBondContact O-N 3.34Å; T448-I540 PolarHBondContact OG1-O 2.88Å; T448-I540 VanDerWaalsContact OG1-O 3.08Å
449V91.1Very high74.1Confident11 Ų1170.8 Ų70.87%0.06739%0.391CS..EExtended strand (participates in β ladder)trans-104.8141.9176.1-163.80000109.8F537 Q538 L539 V560 I563 E564 I567V449-F537 HydrophobicContact CG1-CD2 4.2Å; V449-Q538 CarbonylContact C-O 3.5Å; V449-L539 HydrophobicContact CB-CD2 4.37Å; V449-L539 HydrophobicContact CG1-CD2 4.13Å; V449-L539 HydrophobicContact CG2-CD2 3.87Å; V449-V560 HydrophobicContact CG1-CB 4.46Å; V449-V560 HydrophobicContact CG1-CG1 4.02Å; V449-V560 HydrophobicContact CG1-CG2 3.95Å; V449-I563 HydrophobicContact CG2-CB 4.35Å; V449-I563 HydrophobicContact CG2-CG2 3.52Å; V449-E564 HydrophobicContact CG2-CG 4.1Å; V449-I567 HydrophobicContact CG2-CD1 4.32Å
450K88.1Confident71.7Confident99 Ų9970.6 Ų70.643%0.4339%0.389SS..EExtended strand (participates in β ladder)trans-142.6128.5178.5175.1-168.2169.5-154.30110.3F537 Q538 I540K450-F537 CarbonylContact O-C 3.54Å; K450-Q538 HydrophobicContact CB-CB 4.39Å; K450-Q538 PolarHBondContact N-O 3.42Å; K450-Q538 PolarHBondContact O-N 3.49Å; K450-I540 HydrophobicContact CB-CD1 4.1Å; K450-I540 HydrophobicContact CD-CD1 3.69Å
451I87.6Confident68.9Low32 Ų3267.7 Ų67.716%0.16439%0.385CS..  trans-97.5122.2172.1-58.7172.8000108.2V454 F537 V560I451-V454 HydrophobicContact CB-CB 4.15Å; I451-V454 HydrophobicContact CB-CG2 4.39Å; I451-V454 HydrophobicContact CG2-CB 4.02Å; I451-V454 HydrophobicContact CG2-CG2 3.71Å; I451-V454 PolarHBondContact O-N 3.07Å; I451-F537 HydrophobicContact CG1-CB 4.45Å; I451-V560 HydrophobicContact CD1-CG1 4.48Å; I451-V560 HydrophobicContact CD1-CG2 4.24Å; I451-V560 HydrophobicContact CG1-CG2 4.26Å
452P77.7Confident66.1Low32 Ų3274.3 Ų74.321%0.20841%0.406CS..THydrogen-bonded Turntrans-57.7146.9173.1-24.736.3000112.3V454 E536 Q538P452-V454 PolarHBondContact O-N 2.95Å; P452-E536 WeakPolarHBondContact CD-O 3.28Å; P452-E536 HydrophobicContact CG-CB 4.18Å; P452-E536 HydrophobicContact CG-CG 3.89Å; P452-Q538 HydrophobicContact CG-CG 4.26Å
453G67.8Low63.2Low93 Ų9380.7 Ų80.796%0.95944%0.439SS*.THydrogen-bonded Turntrans70.9-13.2-179.400000116.1
454V64.7Low60.3Low55 Ų5583.5 Ų83.533%0.33346%0.459SS..SBendtrans-107.6122.8-178.4-177.30000110.3I451 P452 R457I451-V454 HydrophobicContact CB-CB 4.15Å; I451-V454 HydrophobicContact CB-CG2 4.39Å; I451-V454 HydrophobicContact CG2-CB 4.02Å; I451-V454 HydrophobicContact CG2-CG2 3.71Å; I451-V454 PolarHBondContact O-N 3.07Å; P452-V454 PolarHBondContact O-N 2.95Å; V454-R457 HydrophobicContact CG1-CG 4.09Å
455A47.4Very low57.4Low90 Ų9088.3 Ų88.374%0.74449%0.493SS*.  trans-61.4138.5170.100000110.3R457A455-R457 PolarHBondContact O-N 2.79Å
456F46Very low54.8Low111 Ų11194.8 Ų94.849%0.48752%0.524SS..  trans-52.1107.9-166.9-169.2-83.7000112.5Q458 Q681F456-Q458 HydrophobicContact CD1-CG 4.12Å; F456-Q458 HydrophobicContact CE1-CG 4.24Å; F456-Q681 HydrophobicContact CD1-CG 4.47Å
457R43Very low52.2Low195 Ų19591.2 Ų91.274%0.73653%0.531SS*.  trans-85.9121.3-178.7-70.7-171176.6-159.3-0.8110.4V454 A455 V459V454-R457 HydrophobicContact CG1-CG 4.09Å; A455-R457 PolarHBondContact O-N 2.79Å; R457-V459 PolarHBondContact O-N 3.26Å
458Q38.1Very low49.4Very low43 Ų4399 Ų9920%0.20157%0.571CS.*  trans-88.594.7176.5-59.3178.1-3.500110.1F456 G460 E766F456-Q458 HydrophobicContact CD1-CG 4.12Å; F456-Q458 HydrophobicContact CE1-CG 4.24Å; Q458-G460 PolarHBondContact O-N 3.02Å; Q458-E766 PolarHBondContact NE2-OE2 2.92Å
459V31.1Very low46.5Very low108 Ų108103.7 Ų103.766%0.65559%0.592SS**THydrogen-bonded Turntrans-80.154.6176-1660000110.8R457R457-V459 PolarHBondContact O-N 3.26Å
460G34.3Very low43.5Very low37 Ų37115.5 Ų115.538%0.38164%0.636SS.*THydrogen-bonded Turntrans-95.4-39.9179.800000114Q458 R462Q458-G460 PolarHBondContact O-N 3.02Å; G460-R462 PolarHBondContact O-N 2.77Å
461S32.5Very low40.6Very low69 Ų69115.8 Ų115.848%0.48365%0.65SS.*THydrogen-bonded Turntrans-82.832.9-161.6-47.60000115.2E763S461-E763 PolarHBondContact OG-OE1 3.33Å
462R31.2Very low37.9Very low234 Ų234122.7 Ų122.788%0.88368%0.682SS**THydrogen-bonded Turntrans-1419.5174.8-77.1-162.2179.3-168.60.3116.3G460G460-R462 PolarHBondContact O-N 2.77Å
463I30.2Very low35.9Very low135 Ų135129.4 Ų129.469%0.69272%0.715SS**SBendtrans-123.350.7174.6-42.7-176.6000110.9
464T27.2Very low34Very low134 Ų134132.6 Ų132.682%0.82271%0.71SS**  trans-139.854.8173.555.60000110.9
465S29.7Very low32.5Very low102 Ų102138.1 Ų138.171%0.71374%0.738SS**  trans-130.3117.8172.757.10000109.7G467S465-G467 PolarHBondContact O-N 2.96Å
466N27.2Very low31.7Very low180 Ų180137.2 Ų137.296%0.96374%0.737SS**  trans-67.7129.3180-67.7-41.9000111.2
467G26.4Very low31.1Very low66 Ų66135.7 Ų135.768%0.6875%0.753SS**  trans154.2146.7167.600000114.8S465S465-G467 PolarHBondContact O-N 2.96Å
468L27.4Very low30.5Very low171 Ų171132.5 Ų132.590%0.89576%0.756SS**  trans56.478158.3-54.7176000117.7
469L29Very low30.4Very low180 Ų180137.2 Ų137.294%0.94278%0.782SS**  trans-175.272.2133.6-102.7164.5000112.5
470R27.1Very low30.5Very low259 Ų259142.4 Ų142.498%0.97779%0.79SS**  trans-149.283.2159.5-157.2176.4-168.7-161.91.5111.4
471S27.4Very low30.5Very low106 Ų106151.8 Ų151.874%0.74181%0.814SS**  trans-128.7149.8166.6-174.40000108.5
472Q31.2Very low30.6Very low177 Ų177153.3 Ų153.383%0.82783%0.825SS**  trans61.993.9-177.8-49.2-167.926.200115.4
473L34.7Very low30.9Very low172 Ų172148.8 Ų148.890%0.90182%0.823SS**  -166.4139.699.3-95168.1000109.7
474N28.8Very low31Very low160 Ų160145.7 Ų145.786%0.85682%0.824SS**  trans-94.6126.7178.9-81.3-3.5000111
475D33.7Very low31.5Very low171 Ų171146.1 Ų146.191%0.91483%0.827SS**  -174.2156.4126.6-109.2-25.4000107.4
476G28.9Very low31.6Very low71 Ų71148 Ų14873%0.73283%0.829SS**  cis154.985.74.100000108.8
477G34Very low32.1Very low80 Ų80145.3 Ų145.383%0.82582%0.818SS**  trans-179.8127-175.700000114.6
478T31.1Very low32.5Very low128 Ų128150.5 Ų150.579%0.78582%0.822SS**  trans-76.5162169.951.90000109.9
479D35.1Very low32.6Very low142 Ų142149.5 Ų149.576%0.75982%0.818SS**  -156.5-17750.1-129.4-57.9000117.2
480R32.8Very low33.4Very low217 Ų217145.1 Ų145.182%0.81980%0.8SS**  trans-104.4141.9-157-61159.6159.4178.2-6.2115.5
481R35Very low33.7Very low234 Ų234138 Ų13888%0.88379%0.786SS**  174.9121.2121.9-96166.3-174.2-141.2-0.1109.6
482S34.9Very low33.9Very low101 Ų101140 Ų14071%0.70678%0.784SS**  77.3128.783-630000112.7
483T36.6Very low34.1Very low138 Ų138138.7 Ų138.785%0.84778%0.782SS**  cis-163.3145.811.818.10000113
484G32.1Very low34Very low70 Ų70135.3 Ų135.372%0.72277%0.773SS**  trans85.1148.6151.200000117.3
485V38.3Very low34.4Very low144 Ų144132.5 Ų132.587%0.87377%0.771SS**  cis-143.4131.5-0.2174.40000110.1
486D32.2Very low34.5Very low141 Ų141129.9 Ų129.975%0.75476%0.764SS**  trans-77.4168.9173.9-58-94.5000113.9
487V36.8Very low34.6Very low123 Ų123134.2 Ų134.275%0.74577%0.77SS**  -172.4109.3112.31450000113.2
488K34.8Very low34.6Very low175 Ų175137 Ų13776%0.76177%0.765SS**  trans45.2126.4132.9-53.3169.3-173.4175.50119.8
489N31.1Very low34.5Very low151 Ų151136.8 Ų136.881%0.80776%0.76SS**  cis74.7156.525.1-143.643.3000113.8
490P44.3Very low34.3Very low87 Ų87136.8 Ų136.857%0.56576%0.76SS**  -129.3-120.7-6641.2-25.8000112.7
491T33.5Very low34.3Very low111 Ų111132 Ų13268%0.68176%0.759SS**  trans85140.6175.275.20000117
492E32.3Very low34.2Very low148 Ų148124.8 Ų124.869%0.69275%0.75SS**  cis-168.4178.7-31-127.7130.3-108.700113.2
493N35.2Very low34Very low148 Ų148126.3 Ų126.379%0.79176%0.76SS**  trans76.6157.5162.8-58.7-43.9000121.2
494S33.3Very low33.7Very low102 Ų102123.2 Ų123.271%0.71376%0.756SS**  169.3123.2-59.254.30000111.9
495A36.4Very low33.7Very low100 Ų100123.3 Ų123.383%0.82676%0.757SS**  trans-170.3134.4162.700000112.6
496P34.8Very low33.3Very low116 Ų116125.8 Ų125.875%0.75376%0.756SS**  trans-126.5-176.8174.240.8-28.4000115.1
497L31.9Very low33.4Very low163 Ų163127 Ų12785%0.85376%0.762SS**  trans78149.5174.8-51.2172.7000114.2
498N33.3Very low33.1Very low138 Ų138126.3 Ų126.374%0.73876%0.763SS**  cis-151.8171.736.6-167.221.2000114.1
499D30Very low33.1Very low124 Ų124123.2 Ų123.266%0.66376%0.764SS**  trans-80.6157.8-176.5-62.5-65.9000115.7
500N30.6Very low33.2Very low142 Ų142122.2 Ų122.276%0.75977%0.768SS**  150.2153.6114.8-84-68.5000116.4
501S33.7Very low32.5Very low116 Ų116122.9 Ų122.981%0.81177%0.771SS**  trans81.1149.9156.4-49.10000119.7
502A31.2Very low32.4Very low83 Ų83126.4 Ų126.469%0.68678%0.777SS**  cis-176.5138.7-45.100000109.1
503S31.5Very low32.4Very low132 Ų132126.9 Ų126.992%0.92378%0.776SS**  trans61.3164.2164.5750000117.9
504G30Very low32.3Very low73 Ų73131.4 Ų131.475%0.75378%0.782SS**  cis-179.3160.9-6.400000111.2
505G32.4Very low32.6Very low73 Ų73132.1 Ų132.175%0.75377%0.774SS**  trans95.4123.1-171.600000111.2
506K30Very low32.6Very low196 Ų196138.5 Ų138.585%0.85278%0.777SS**  cis55.7107.432-59.7-175.2176.1179.50113.5
507D34.1Very low32.6Very low165 Ų165141.9 Ų141.988%0.88278%0.775SS**  -158.8169.490.6-97.1-20.5000112.5
508S29.6Very low32.9Very low110 Ų110140.2 Ų140.277%0.76977%0.765SS**  trans-125.4132.7-169.257.50000113.4
509S36.5Very low33Very low110 Ų110142.1 Ų142.177%0.76977%0.767SS**  trans-162.157.1171.454.70000114.3V511S509-V511 VanDerWaalsContact C-N 3.27Å; S509-V511 PolarHBondContact O-N 3.35Å
510S32Very low33.3Very low129 Ų129140.5 Ų140.590%0.90277%0.766SS**  trans-72.267.5178.444.50000113.8
511V30.6Very low33.4Very low101 Ų101140.9 Ų140.961%0.61277%0.768SS**  trans-137.1117-165.4179.40000114.3S509S509-V511 VanDerWaalsContact C-N 3.27Å; S509-V511 PolarHBondContact O-N 3.35Å
512K31.2Very low33.6Very low185 Ų185140.5 Ų140.580%0.80476%0.762SS**  trans77.6102.7151.6-71.9166-160.6154.80121.7
513K31.3Very low33.7Very low159 Ų159145.9 Ų145.969%0.69177%0.77SS**  77113.399.4-177.6-169.4-179.8179.60120.3
514R34.6Very low33.9Very low243 Ų243143.8 Ų143.892%0.91776%0.756SS**  -160114.6126.1-97.9148.1-176.6-164.91.3107.7
515H39.7Very low34.1Very low117 Ų117147.2 Ų147.254%0.54276%0.757SS.*  59.6130.670.7-81.441.6000113.4
516R36.6Very low34.1Very low233 Ų233151.7 Ų151.788%0.87976%0.763SS**  cis-138.6155.435.2-54.8159.3-142-164.23.8110.6
517R34.5Very low34.2Very low187 Ų187147.2 Ų147.271%0.70676%0.763SS**  cis76.7143.228.9-142.5-161.6171.4-159.3-2.7112.1
518I37.9Very low34.1Very low129 Ų129147.8 Ų147.866%0.66277%0.766SS**  cis-124.3-13410.1-20.6178.5000109.9
519K34Very low34.3Very low177 Ų177146.1 Ų146.177%0.7777%0.766SS**  cis-153.992.71.5-169.6168.4175.2-173.80114.5
520S37.2Very low34.1Very low91 Ų91145.4 Ų145.464%0.63676%0.761SS**  trans57154138.469.40000121.3
521N33.3Very low34.5Very low150 Ų150145.9 Ų145.980%0.80275%0.754SS**  cis-156.2152.942.2-152.939.9000114.5
522P37.3Very low35.5Very low107 Ų107143.6 Ų143.670%0.69574%0.742SS**  trans-122.3177.7-168.244-32.5000116.1
523K34.4Very low36.8Very low197 Ų197143.3 Ų143.386%0.85774%0.744SS**  trans-159.6114.4156.9-99.4176.3-179.9-179.20107.7
524S34.9Very low38.4Very low88 Ų88137.3 Ų137.362%0.61573%0.727SS**  67127.48771.10000114.5
525N33.5Very low40.7Very low145 Ų145130 Ų13078%0.77570%0.7SS**  cis-155.3148.21.5-86.3-19.2000110.5
526N33.2Very low43Very low167 Ų167125.4 Ų125.489%0.89368%0.678SS**  trans167.4145.8130.9-87.7-10.3000109.9
527A31.9Very low45.6Very low101 Ų101114.3 Ų114.384%0.83564%0.637SS**  trans-147.8125.7-175.900000111.7
528D31Very low48.3Very low177 Ų177106.3 Ų106.395%0.94761%0.607SS**  trans-166.8150.5144.1-140.5-16.4000109.9
529G34.6Very low50.9Low75 Ų75100.1 Ų100.177%0.77358%0.576SS**  trans103.269.4169.100000118.4
530S31.9Very low53.6Low95 Ų9594.1 Ų94.166%0.66455%0.551SS**  trans-99.7173.3161.658.70000112.5
531D41.7Very low55.8Low140 Ų14090.9 Ų90.975%0.74953%0.529SS*.SBendtrans77.313.7162.6-47.3-19.5000119.5
532S51.7Low57.8Low53 Ų5391.1 Ų91.137%0.37153%0.527SS..  trans-107.8-2.9-179.2-139.70000116.6K411K411-S532 PolarHBondContact NZ-OG 3.3Å
533E57.4Low59.9Low179 Ų17991.1 Ų91.184%0.83652%0.521SS*.THydrogen-bonded Turntrans-85.5-11.1-171.8-59.3-167.9140.400114.8
534G65.5Low62.2Low33 Ų3389 Ų8934%0.3451%0.508SS..THydrogen-bonded Turntrans-80.1-16.6-172.300000116.5R556G534-R556 PolarHBondContact O-NH1 2.79Å
535Y82.3Confident64.7Low90 Ų9090.8 Ų90.835%0.35351%0.506SS..SBendtrans-113.6-3.1-160.9-43.2-56.5000115E549 A550Y535-E549 WeakPolarHBondContact O-CA 3.47Å; Y535-A550 PolarHBondContact O-N 3.2Å
536E88.5Confident67.5Low19 Ų1985.1 Ų85.19%0.08947%0.474CS..EExtended strand (participates in β ladder)trans-90.9147.3-174.3-179.2167.5-129.400113.3R401 P452 Q538 H547 F548 R556R401-E536 VanDerWaalsContact CD-OE1 3.32Å; R401-E536 WeakPolarHBondContact CD-OE1 3.42Å; R401-E536 IonicContact CZ-OE1 3.72Å; R401-E536 IonicContact NE-OE1 2.85Å; R401-E536 IonicContact NH1-OE1 3.43Å; R401-E536 PolarHBondContact NH1-OE1 2.92Å; R401-E536 IonicContact NH1-OE2 2.69Å; R401-E536 PolarHBondContact NH1-OE2 3.48Å; P452-E536 WeakPolarHBondContact CD-O 3.28Å; P452-E536 HydrophobicContact CG-CB 4.18Å; P452-E536 HydrophobicContact CG-CG 3.89Å; E536-Q538 HydrophobicContact CG-CG 4.46Å; E536-H547 IonicContact OE1-CD2 3.18Å; E536-H547 PolarHBondContact OE1-CD2 3.4Å; E536-H547 IonicContact OE1-CG 3.2Å; E536-F548 CarbonylContact C-O 3.53Å; E536-F548 WeakPolarHBondContact CA-O 3.17Å; E536-R556 WeakPolarHBondContact O-CD 3.35Å
537F91.8Very high70.3Confident0 Ų078.7 Ų78.70%044%0.438CS..EExtended strand (participates in β ladder)trans-138153.7158.868.4-82.2000110.9L398 V449 K450 I451 L539 F548 R556 W559 V560 I563L398-F537 HydrophobicContact CD1-CE1 4.05Å; L398-F537 HydrophobicContact CD1-CZ 3.64Å; L398-F537 HydrophobicContact CD2-CE1 4.02Å; L398-F537 HydrophobicContact CD2-CZ 4.45Å; V449-F537 HydrophobicContact CG1-CD2 4.2Å; K450-F537 CarbonylContact O-C 3.54Å; I451-F537 HydrophobicContact CG1-CB 4.45Å; F537-L539 HydrophobicContact CD2-CD2 4.21Å; F537-L539 HydrophobicContact CE2-CD2 4.16Å; F537-L539 HydrophobicContact CE2-CG 4.34Å; F537-F548 HydrophobicContact CD1-CB 4.25Å; F537-F548 HydrophobicContact CD2-CB 4.47Å; F537-F548 HydrophobicContact CE1-CB 3.83Å; F537-F548 HydrophobicContact CE2-CB 4.06Å; F537-F548 HydrophobicContact CE2-CD2 4.42Å; F537-F548 HydrophobicContact CZ-CB 3.74Å; F537-F548 HydrophobicContact CZ-CG 4.41Å; F537-F548 PolarHBondContact N-O 2.87Å; F537-F548 PolarHBondContact O-N 3.02Å; F537-R556 HydrophobicContact CB-CG 4.42Å; F537-R556 HydrophobicContact CD1-CG 4.06Å; F537-W559 HydrophobicContact CE1-CB 4.15Å; F537-W559 HydrophobicContact CZ-CB 4.06Å; F537-V560 HydrophobicContact CB-CG2 3.98Å; F537-V560 HydrophobicContact CD2-CG2 4.3Å; F537-V560 HydrophobicContact CG-CG2 4.05Å; F537-I563 HydrophobicContact CE2-CD1 3.72Å; F537-I563 HydrophobicContact CZ-CD1 4.17Å
538Q91Very high73.2Confident19 Ų1973.9 Ų73.99%0.08940%0.399CS..EExtended strand (participates in β ladder)trans-120127.1-176.1-59.8177.5-9.200108.9V449 K450 P452 E536 I540 H547V449-Q538 CarbonylContact C-O 3.5Å; K450-Q538 HydrophobicContact CB-CB 4.39Å; K450-Q538 PolarHBondContact N-O 3.42Å; K450-Q538 PolarHBondContact O-N 3.49Å; P452-Q538 HydrophobicContact CG-CG 4.26Å; E536-Q538 HydrophobicContact CG-CG 4.46Å; Q538-I540 HydrophobicContact CB-CG1 4.39Å; Q538-H547 PolarHBondContact NE2-NE2 3.17Å
539L92.5Very high76Confident0 Ų066.4 Ų66.40%036%0.358CS..EExtended strand (participates in β ladder)trans-92.5130.1166.2-58.8-175.1000108.6L424 I442 L444 T447 T448 V449 F537 Q545 W546 F548 I563L424-L539 HydrophobicContact CD1-CD1 4.35Å; L424-L539 HydrophobicContact CD2-CD1 4.27Å; I442-L539 HydrophobicContact CD1-CD1 4.08Å; I442-L539 HydrophobicContact CG2-CD1 4.42Å; L444-L539 HydrophobicContact CD2-CD1 4.15Å; T447-L539 HydrophobicContact CG2-CB 3.83Å; T448-L539 CarbonylContact O-C 3.43Å; T448-L539 WeakPolarHBondContact O-CA 3.15Å; V449-L539 HydrophobicContact CB-CD2 4.37Å; V449-L539 HydrophobicContact CG1-CD2 4.13Å; V449-L539 HydrophobicContact CG2-CD2 3.87Å; F537-L539 HydrophobicContact CD2-CD2 4.21Å; F537-L539 HydrophobicContact CE2-CD2 4.16Å; F537-L539 HydrophobicContact CE2-CG 4.34Å; L539-Q545 CarbonylContact O-C 3.54Å; L539-Q545 VanDerWaalsContact O-CA 3.25Å; L539-Q545 WeakPolarHBondContact O-CA 3.46Å; L539-W546 HydrophobicContact CB-CB 4.38Å; L539-W546 HydrophobicContact CB-CE3 4.05Å; L539-W546 PolarHBondContact N-O 2.8Å; L539-W546 PolarHBondContact O-N 3.19Å; L539-F548 HydrophobicContact CD1-CD2 4.24Å; L539-F548 HydrophobicContact CD1-CE2 3.96Å; L539-F548 HydrophobicContact CG-CD2 4.32Å; L539-F548 HydrophobicContact CG-CE2 4.45Å; L539-I563 HydrophobicContact CD2-CD1 4.32Å; L539-I563 HydrophobicContact CD2-CG2 4.1Å
540I89.3Confident78.7Confident50 Ų5063 Ų6326%0.25632%0.323SS..EExtended strand (participates in β ladder)trans-130.4107.3-173.3-56.8175.9000110.1T447 T448 K450 Q538 Q545T447-I540 CarbonylContact C-O 3.43Å; T447-I540 WeakPolarHBondContact CA-O 3.49Å; T448-I540 PolarHBondContact N-O 3.24Å; T448-I540 PolarHBondContact O-N 3.34Å; T448-I540 PolarHBondContact OG1-O 2.88Å; T448-I540 VanDerWaalsContact OG1-O 3.08Å; K450-I540 HydrophobicContact CB-CD1 4.1Å; K450-I540 HydrophobicContact CD-CD1 3.69Å; Q538-I540 HydrophobicContact CB-CG1 4.39Å; I540-Q545 HydrophobicContact CG1-CB 4.42Å
541S84.6Confident81.3Confident23 Ų2363.3 Ų63.316%0.16132%0.321CS..  trans-85.5172.3163.7171.40000109.7D543 R544S541-D543 WeakPolarHBondContact CB-OD1 3.49Å; S541-D543 PolarHBondContact O-N 2.84Å; S541-D543 PolarHBondContact OG-OD1 2.96Å; S541-R544 PolarHBondContact N-O 2.73Å
542M75.2Confident83.4Confident156 Ų15657.3 Ų57.377%0.76829%0.292SS*.SBendtrans-60.2-30171.4-57.3-166-56.400113.3
543D80Confident84.9Confident106 Ų10657.3 Ų57.357%0.56729%0.291SS*.SBendtrans-112-18.8-172.174.7-40.5000114.3S541S541-D543 WeakPolarHBondContact CB-OD1 3.49Å; S541-D543 PolarHBondContact O-N 2.84Å; S541-D543 PolarHBondContact OG-OD1 2.96Å
544R84.6Confident86.3Confident153 Ų15355.2 Ų55.258%0.57729%0.285SS*.  trans-144.2146.5-167.8-74.7169.3-147.3-129.7-6.2112S541 W546S541-R544 PolarHBondContact N-O 2.73Å; R544-W546 HydrophobicContact CB-CD2 4.4Å; R544-W546 HydrophobicContact CB-CE3 4.27Å; R544-W546 HydrophobicContact CB-CH2 3.45Å; R544-W546 VanDerWaalsContact CB-CH2 3.45Å; R544-W546 HydrophobicContact CB-CZ2 3.59Å; R544-W546 HydrophobicContact CB-CZ3 3.81Å; R544-W546 HydrophobicContact CG-CH2 4.35Å; R544-W546 HydrophobicContact CG-CZ2 4.17Å
545Q87.6Confident87.5Confident125 Ų12555.4 Ų55.458%0.58428%0.277SS*.EExtended strand (participates in β ladder)trans-125.1136.8168.556.3179.7-6.200110.9L539 I540 H547L539-Q545 CarbonylContact O-C 3.54Å; L539-Q545 VanDerWaalsContact O-CA 3.25Å; L539-Q545 WeakPolarHBondContact O-CA 3.46Å; I540-Q545 HydrophobicContact CG1-CB 4.42Å; Q545-H547 PolarHBondContact OE1-CE1 3.44Å
546W91.6Very high87.9Confident26 Ų2652.6 Ų52.610%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-122.9113.7177.2-54.6-103.4000109.1I442 T447 L539 R544 F548I442-W546 HydrophobicContact CB-CZ2 4.48Å; I442-W546 HydrophobicContact CD1-CB 3.98Å; I442-W546 HydrophobicContact CD1-CD2 3.58Å; I442-W546 HydrophobicContact CD1-CE3 4.19Å; I442-W546 HydrophobicContact CD1-CG 3.47Å; I442-W546 VanDerWaalsContact CD1-CG 3.47Å; I442-W546 HydrophobicContact CD1-CZ2 4.43Å; I442-W546 HydrophobicContact CG1-CD2 4.05Å; I442-W546 HydrophobicContact CG1-CG 4.34Å; I442-W546 HydrophobicContact CG1-CZ2 3.97Å; I442-W546 HydrophobicContact CG2-CD2 4.34Å; I442-W546 HydrophobicContact CG2-CE3 4.04Å; I442-W546 HydrophobicContact CG2-CH2 3.8Å; I442-W546 HydrophobicContact CG2-CZ2 4.1Å; I442-W546 HydrophobicContact CG2-CZ3 3.77Å; T447-W546 HydrophobicContact CG2-CZ3 4.37Å; L539-W546 HydrophobicContact CB-CB 4.38Å; L539-W546 HydrophobicContact CB-CE3 4.05Å; L539-W546 PolarHBondContact N-O 2.8Å; L539-W546 PolarHBondContact O-N 3.19Å; R544-W546 HydrophobicContact CB-CD2 4.4Å; R544-W546 HydrophobicContact CB-CE3 4.27Å; R544-W546 HydrophobicContact CB-CH2 3.45Å; R544-W546 VanDerWaalsContact CB-CH2 3.45Å; R544-W546 HydrophobicContact CB-CZ2 3.59Å; R544-W546 HydrophobicContact CB-CZ3 3.81Å; R544-W546 HydrophobicContact CG-CH2 4.35Å; R544-W546 HydrophobicContact CG-CZ2 4.17Å; W546-F548 HydrophobicContact CB-CD2 4.11Å; W546-F548 HydrophobicContact CB-CE2 3.57Å; W546-F548 HydrophobicContact CB-CZ 4.36Å; W546-F548 HydrophobicContact CG-CE2 4.47Å
547H90.7Very high87.9Confident32 Ų3255.2 Ų55.215%0.14828%0.281CS..EExtended strand (participates in β ladder)trans-90.4124177.3-67.428000109.5K400 R401 E536 Q538 Q545K400-H547 WeakPolarHBondContact CA-O 3.43Å; K400-H547 WeakPolarHBondContact CG-O 3.22Å; R401-H547 HydrophobicContact CB-CB 3.83Å; R401-H547 PolarHBondContact N-O 3.13Å; E536-H547 IonicContact OE1-CD2 3.18Å; E536-H547 PolarHBondContact OE1-CD2 3.4Å; E536-H547 IonicContact OE1-CG 3.2Å; Q538-H547 PolarHBondContact NE2-NE2 3.17Å; Q545-H547 PolarHBondContact OE1-CE1 3.44Å
548F93.2Very high87.9Confident1 Ų159 Ų590%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-127.9148.5-178.8-72.6-78.6000110.6L398 Y399 K400 V416 L424 Y426 I442 E536 F537 L539 W546L398-F548 HydrophobicContact CB-CD1 3.87Å; L398-F548 HydrophobicContact CD1-CB 4.27Å; L398-F548 HydrophobicContact CD1-CD1 4.07Å; L398-F548 HydrophobicContact CD1-CG 4.29Å; Y399-F548 CarbonylContact O-C 3.59Å; Y399-F548 WeakPolarHBondContact O-CA 3.36Å; K400-F548 HydrophobicContact CB-CD1 3.98Å; K400-F548 HydrophobicContact CB-CE1 3.89Å; K400-F548 HydrophobicContact CD-CE1 4.16Å; K400-F548 HydrophobicContact CD-CZ 4.31Å; K400-F548 HydrophobicContact CG-CD1 4.06Å; K400-F548 HydrophobicContact CG-CE1 3.8Å; K400-F548 HydrophobicContact CG-CZ 4.27Å; V416-F548 HydrophobicContact CG2-CE1 4.34Å; L424-F548 HydrophobicContact CD2-CE2 4.34Å; L424-F548 HydrophobicContact CD2-CZ 4.16Å; Y426-F548 HydrophobicContact CD1-CZ 4.24Å; Y426-F548 HydrophobicContact CG-CZ 4.39Å; I442-F548 HydrophobicContact CD1-CE2 3.87Å; I442-F548 HydrophobicContact CD1-CZ 4.07Å; E536-F548 CarbonylContact C-O 3.53Å; E536-F548 WeakPolarHBondContact CA-O 3.17Å; F537-F548 HydrophobicContact CD1-CB 4.25Å; F537-F548 HydrophobicContact CD2-CB 4.47Å; F537-F548 HydrophobicContact CE1-CB 3.83Å; F537-F548 HydrophobicContact CE2-CB 4.06Å; F537-F548 HydrophobicContact CE2-CD2 4.42Å; F537-F548 HydrophobicContact CZ-CB 3.74Å; F537-F548 HydrophobicContact CZ-CG 4.41Å; F537-F548 PolarHBondContact N-O 2.87Å; F537-F548 PolarHBondContact O-N 3.02Å; L539-F548 HydrophobicContact CD1-CD2 4.24Å; L539-F548 HydrophobicContact CD1-CE2 3.96Å; L539-F548 HydrophobicContact CG-CD2 4.32Å; L539-F548 HydrophobicContact CG-CE2 4.45Å; W546-F548 HydrophobicContact CB-CD2 4.11Å; W546-F548 HydrophobicContact CB-CE2 3.57Å; W546-F548 HydrophobicContact CB-CZ 4.36Å; W546-F548 HydrophobicContact CG-CE2 4.47Å
549E90.9Very high88.1Confident19 Ų1958 Ų589%0.08929%0.294CS..EExtended strand (participates in β ladder)trans-137.4128.1-176.3174.8-179.1170.900108.9Y399 K411 Y535Y399-E549 PolarHBondContact N-O 2.95Å; Y399-E549 PolarHBondContact O-N 3.2Å; K411-E549 WeakPolarHBondContact CD-OE2 3.41Å; K411-E549 WeakPolarHBondContact CE-OE2 3.12Å; K411-E549 IonicContact NZ-OE1 3.48Å; K411-E549 PolarHBondContact NZ-OE1 3.21Å; K411-E549 IonicContact NZ-OE2 3.7Å; K411-E549 PolarHBondContact NZ-OE2 3.12Å; Y535-E549 WeakPolarHBondContact O-CA 3.47Å
550A91.2Very high88.1Confident4 Ų458.5 Ų58.53%0.03330%0.297CS..  trans-89.5173.6-178.800000111.3L398 Y535 G552 E555 R556L398-A550 HydrophobicContact CD2-CB 3.91Å; Y535-A550 PolarHBondContact O-N 3.2Å; A550-G552 VanDerWaalsContact C-N 3.28Å; A550-G552 PolarHBondContact O-N 2.88Å; A550-E555 HydrophobicContact CB-CB 4.07Å; A550-E555 HydrophobicContact CB-CG 4.4Å; A550-R556 HydrophobicContact CB-CB 3.94Å
551T86Confident88.2Confident101 Ų10161.2 Ų61.262%0.6231%0.309SS*.SBendtrans-75.8-16.3177.761.20000113.8Y399 E555Y399-T551 HydrophobicContact CE2-CG2 4.29Å; T551-E555 WeakPolarHBondContact CB-OE2 3.38Å; T551-E555 PolarHBondContact N-OE2 3.22Å; T551-E555 PolarHBondContact OG1-OE2 3.33Å
552G85.1Confident88.6Confident14 Ų1462.2 Ų62.214%0.14431%0.312CS..SBendtrans-164.5174176.700000111.8A550 E555 R556A550-G552 VanDerWaalsContact C-N 3.28Å; A550-G552 PolarHBondContact O-N 2.88Å; G552-E555 PolarHBondContact O-N 2.98Å; G552-R556 PolarHBondContact O-N 2.67Å
553P84.7Confident89.5Confident54 Ų5454.8 Ų54.835%0.35128%0.275SS..Hα-helixtrans-69.5-34.2-176.930.2-33.2000111.8R556 D557P553-R556 WeakPolarHBondContact O-CB 3.4Å; P553-R556 PolarHBondContact O-N 3.44Å; P553-D557 PolarHBondContact O-N 3.4Å
554D86.1Confident90Very high134 Ų13452 Ų5272%0.71726%0.259SS*.Hα-helixtrans-67.2-42.7178.5-45.1-71.1000110.9D557 E558D554-D557 PolarHBondContact O-N 3.06Å; D554-E558 WeakPolarHBondContact O-CB 3.3Å; D554-E558 PolarHBondContact O-N 3.41Å
555E89.9Confident90.2Very high38 Ų3852 Ų5218%0.17826%0.259CS..Hα-helixtrans-66.4-38.1175.2-160-150.7166.100111.2A550 T551 G552 E558 W559A550-E555 HydrophobicContact CB-CB 4.07Å; A550-E555 HydrophobicContact CB-CG 4.4Å; T551-E555 WeakPolarHBondContact CB-OE2 3.38Å; T551-E555 PolarHBondContact N-OE2 3.22Å; T551-E555 PolarHBondContact OG1-OE2 3.33Å; G552-E555 PolarHBondContact O-N 2.98Å; E555-E558 PolarHBondContact O-N 2.86Å; E555-W559 WeakPolarHBondContact O-CB 3.44Å; E555-W559 PolarHBondContact O-N 3.04Å; E555-W559 PolarHBondContact OE1-NE1 2.91Å
556R91.2Very high90.3Very high31 Ų3146.1 Ų46.112%0.11723%0.232CC..Hα-helixtrans-56-52.9172.7178.8-15671.3-164.51.1110.4G534 E536 F537 A550 G552 P553 E558 W559 V560G534-R556 PolarHBondContact O-NH1 2.79Å; E536-R556 WeakPolarHBondContact O-CD 3.35Å; F537-R556 HydrophobicContact CB-CG 4.42Å; F537-R556 HydrophobicContact CD1-CG 4.06Å; A550-R556 HydrophobicContact CB-CB 3.94Å; G552-R556 PolarHBondContact O-N 2.67Å; P553-R556 WeakPolarHBondContact O-CB 3.4Å; P553-R556 PolarHBondContact O-N 3.44Å; R556-E558 VanDerWaalsContact C-N 3.34Å; R556-E558 PolarHBondContact O-N 3.48Å; R556-W559 PolarHBondContact O-N 3.03Å; R556-V560 VanDerWaalsContact O-CG2 3.31Å; R556-V560 WeakPolarHBondContact O-CG2 3.26Å; R556-V560 PolarHBondContact O-N 2.82Å
557D89.3Confident90.2Very high73 Ų7346.1 Ų46.139%0.3923%0.233SC..Hα-helixtrans-69.6-33.6-176.1-71.2-12.5000112.1P553 D554 V560 M561P553-D557 PolarHBondContact O-N 3.4Å; D554-D557 PolarHBondContact O-N 3.06Å; D557-V560 PolarHBondContact O-N 2.68Å; D557-M561 VanDerWaalsContact O-CB 3.28Å; D557-M561 WeakPolarHBondContact O-CB 3.39Å; D557-M561 PolarHBondContact O-N 3.03Å
558E91.4Very high89.9Confident79 Ų7949.5 Ų49.537%0.36925%0.25SS..Hα-helixtrans-65.3-40.2171.8-155-143.1139.600112.1K394 D554 E555 R556 M561 H562K394-E558 WeakPolarHBondContact CE-OE1 3.46Å; K394-E558 IonicContact NZ-OE1 3.92Å; K394-E558 PolarHBondContact NZ-OE1 3.41Å; K394-E558 IonicContact NZ-OE2 2.68Å; K394-E558 PolarHBondContact NZ-OE2 3.43Å; D554-E558 WeakPolarHBondContact O-CB 3.3Å; D554-E558 PolarHBondContact O-N 3.41Å; E555-E558 PolarHBondContact O-N 2.86Å; R556-E558 VanDerWaalsContact C-N 3.34Å; R556-E558 PolarHBondContact O-N 3.48Å; E558-M561 HydrophobicContact CG-CE 4.34Å; E558-H562 PolarHBondContact O-N 3.23Å; E558-H562 PolarHBondContact O-ND1 3.34Å; E558-H562 IonicContact OE1-CE1 2.81Å; E558-H562 PolarHBondContact OE1-CE1 3.26Å; E558-H562 IonicContact OE1-ND1 2.72Å
559W94.6Very high89.3Confident0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-64.4-47.3172.7-86.6109.2000112.2K394 L398 V416 L418 F537 E555 R556 M561 H562 I563K394-W559 HydrophobicContact CB-CE3 4.38Å; K394-W559 HydrophobicContact CB-CH2 4.45Å; K394-W559 HydrophobicContact CB-CZ3 4.06Å; K394-W559 HydrophobicContact CD-CD2 3.75Å; K394-W559 HydrophobicContact CD-CE3 3.8Å; K394-W559 HydrophobicContact CD-CG 4.15Å; K394-W559 HydrophobicContact CD-CZ3 4.22Å; K394-W559 VanDerWaalsContact CE-CD2 3.49Å; K394-W559 HydrophobicContact CG-CD2 4.19Å; K394-W559 HydrophobicContact CG-CE3 3.98Å; K394-W559 HydrophobicContact CG-CH2 3.97Å; K394-W559 HydrophobicContact CG-CZ2 4.17Å; K394-W559 HydrophobicContact CG-CZ3 3.86Å; L398-W559 HydrophobicContact CD1-CD2 4Å; L398-W559 HydrophobicContact CD1-CE3 4.36Å; L398-W559 HydrophobicContact CD1-CG 4.34Å; L398-W559 HydrophobicContact CD1-CZ2 4.33Å; L398-W559 HydrophobicContact CD2-CD2 4.49Å; L398-W559 HydrophobicContact CD2-CG 4.24Å; L398-W559 HydrophobicContact CG-CD2 4.46Å; L398-W559 HydrophobicContact CG-CZ2 4.3Å; V416-W559 HydrophobicContact CB-CH2 3.95Å; V416-W559 HydrophobicContact CB-CZ2 4.41Å; V416-W559 HydrophobicContact CG1-CH2 3.89Å; V416-W559 HydrophobicContact CG1-CZ3 4.02Å; L418-W559 HydrophobicContact CB-CZ3 4.42Å; F537-W559 HydrophobicContact CE1-CB 4.15Å; F537-W559 HydrophobicContact CZ-CB 4.06Å; E555-W559 WeakPolarHBondContact O-CB 3.44Å; E555-W559 PolarHBondContact O-N 3.04Å; E555-W559 PolarHBondContact OE1-NE1 2.91Å; R556-W559 PolarHBondContact O-N 3.03Å; W559-M561 PolarHBondContact O-N 3.33Å; W559-H562 PolarHBondContact O-N 3.33Å; W559-I563 WeakPolarHBondContact O-CD1 3.4Å; W559-I563 VanDerWaalsContact O-CG1 3.24Å; W559-I563 WeakPolarHBondContact O-CG1 3.46Å; W559-I563 PolarHBondContact O-N 3.44Å; W559-I563 VanDerWaalsContact O-N 3.07Å
560V93.3Very high88.8Confident10 Ų1055 Ų556%0.06128%0.276CS..Hα-helixtrans-58-50178.2170.30000110.4V449 I451 F537 R556 D557 H562 I563 E564V449-V560 HydrophobicContact CG1-CB 4.46Å; V449-V560 HydrophobicContact CG1-CG1 4.02Å; V449-V560 HydrophobicContact CG1-CG2 3.95Å; I451-V560 HydrophobicContact CD1-CG1 4.48Å; I451-V560 HydrophobicContact CD1-CG2 4.24Å; I451-V560 HydrophobicContact CG1-CG2 4.26Å; F537-V560 HydrophobicContact CB-CG2 3.98Å; F537-V560 HydrophobicContact CD2-CG2 4.3Å; F537-V560 HydrophobicContact CG-CG2 4.05Å; R556-V560 VanDerWaalsContact O-CG2 3.31Å; R556-V560 WeakPolarHBondContact O-CG2 3.26Å; R556-V560 PolarHBondContact O-N 2.82Å; D557-V560 PolarHBondContact O-N 2.68Å; V560-H562 VanDerWaalsContact C-N 3.34Å; V560-H562 PolarHBondContact O-N 3Å; V560-I563 PolarHBondContact O-N 2.97Å; V560-I563 VanDerWaalsContact O-N 3.15Å; V560-E564 HydrophobicContact CG1-CG 4.23Å; V560-E564 WeakPolarHBondContact O-CG 3.4Å; V560-E564 PolarHBondContact O-N 2.84Å
561M92.2Very high88.3Confident106 Ų10657.9 Ų57.952%0.52229%0.291SS..Hα-helixtrans-55.7-43.7179.1179.3-174.366.400112.9D557 E558 W559 R565D557-M561 VanDerWaalsContact O-CB 3.28Å; D557-M561 WeakPolarHBondContact O-CB 3.39Å; D557-M561 PolarHBondContact O-N 3.03Å; E558-M561 HydrophobicContact CG-CE 4.34Å; W559-M561 PolarHBondContact O-N 3.33Å; M561-R565 VanDerWaalsContact O-CB 3.31Å; M561-R565 WeakPolarHBondContact O-CB 3.43Å; M561-R565 PolarHBondContact O-N 3.3Å
562H92.1Very high87.9Confident45 Ų4558.4 Ų58.421%0.20829%0.286CS..Hα-helixtrans-69.5-39179.1-76.285.7000112.2K394 L418 E558 W559 V560 R565 A566K394-H562 HydrophobicContact CB-CB 4.25Å; K394-H562 HydrophobicContact CD-CB 4.21Å; L418-H562 HydrophobicContact CD2-CB 3.72Å; L418-H562 WeakPolarHBondContact CD2-O 3.43Å; E558-H562 PolarHBondContact O-N 3.23Å; E558-H562 PolarHBondContact O-ND1 3.34Å; E558-H562 IonicContact OE1-CE1 2.81Å; E558-H562 PolarHBondContact OE1-CE1 3.26Å; E558-H562 IonicContact OE1-ND1 2.72Å; W559-H562 PolarHBondContact O-N 3.33Å; V560-H562 VanDerWaalsContact C-N 3.34Å; V560-H562 PolarHBondContact O-N 3Å; H562-R565 PolarHBondContact O-N 3.02Å; H562-A566 PolarHBondContact O-N 2.88Å
563I93.9Very high87.3Confident0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-65.7-46.5177.9-67.9166.5000110.5L418 L424 L444 V449 F537 L539 W559 V560 R565 A566 I567L418-I563 HydrophobicContact CD1-CG1 4.42Å; L418-I563 HydrophobicContact CD2-CG1 4.13Å; L424-I563 HydrophobicContact CD1-CD1 3.59Å; L424-I563 HydrophobicContact CD1-CG1 3.87Å; L444-I563 HydrophobicContact CD1-CG2 3.96Å; L444-I563 HydrophobicContact CD2-CG2 4.11Å; V449-I563 HydrophobicContact CG2-CB 4.35Å; V449-I563 HydrophobicContact CG2-CG2 3.52Å; F537-I563 HydrophobicContact CE2-CD1 3.72Å; F537-I563 HydrophobicContact CZ-CD1 4.17Å; L539-I563 HydrophobicContact CD2-CD1 4.32Å; L539-I563 HydrophobicContact CD2-CG2 4.1Å; W559-I563 WeakPolarHBondContact O-CD1 3.4Å; W559-I563 VanDerWaalsContact O-CG1 3.24Å; W559-I563 WeakPolarHBondContact O-CG1 3.46Å; W559-I563 PolarHBondContact O-N 3.44Å; W559-I563 VanDerWaalsContact O-N 3.07Å; V560-I563 PolarHBondContact O-N 2.97Å; V560-I563 VanDerWaalsContact O-N 3.15Å; I563-R565 PolarHBondContact O-N 3Å; I563-A566 PolarHBondContact O-N 3.32Å; I563-I567 HydrophobicContact CG2-CD1 4.04Å; I563-I567 WeakPolarHBondContact O-CG1 3.41Å; I563-I567 PolarHBondContact O-N 2.99Å; I563-I567 VanDerWaalsContact O-N 3.09Å
564E90.5Very high86.5Confident48 Ų4861.3 Ų61.322%0.22430%0.295CS..Hα-helixtrans-61-43.2175.9-70.5-177.2152.400111.7V449 V560 A566 I567 M568V449-E564 HydrophobicContact CG2-CG 4.1Å; V560-E564 HydrophobicContact CG1-CG 4.23Å; V560-E564 WeakPolarHBondContact O-CG 3.4Å; V560-E564 PolarHBondContact O-N 2.84Å; E564-A566 PolarHBondContact O-N 3.27Å; E564-I567 PolarHBondContact O-N 2.9Å; E564-M568 WeakPolarHBondContact O-CG 3.38Å; E564-M568 PolarHBondContact O-N 3.18Å
565R89.7Confident85Confident152 Ų15259.1 Ų59.157%0.57428%0.281SS*.Hα-helixtrans-59.2-45.6175.5-173-177.7-17799.20.8112.1M561 H562 I563 I567 M568 T569M561-R565 VanDerWaalsContact O-CB 3.31Å; M561-R565 WeakPolarHBondContact O-CB 3.43Å; M561-R565 PolarHBondContact O-N 3.3Å; H562-R565 PolarHBondContact O-N 3.02Å; I563-R565 PolarHBondContact O-N 3Å; R565-I567 PolarHBondContact O-N 2.76Å; R565-M568 PolarHBondContact O-N 3.05Å; R565-T569 PolarHBondContact O-N 3.18Å; R565-T569 PolarHBondContact O-OG1 2.97Å
566A89.1Confident83.1Confident2 Ų260.1 Ų60.12%0.01729%0.292CS..Hα-helixtrans-61.7-43.3178.600000111.8L393 L418 A422 H562 I563 E564 T569 R570L393-A566 HydrophobicContact CD1-CB 4.26Å; L418-A566 HydrophobicContact CD1-CB 4.14Å; L418-A566 HydrophobicContact CD2-CB 4.41Å; A422-A566 HydrophobicContact CB-CB 4.15Å; H562-A566 PolarHBondContact O-N 2.88Å; I563-A566 PolarHBondContact O-N 3.32Å; E564-A566 PolarHBondContact O-N 3.27Å; A566-T569 PolarHBondContact O-N 2.96Å; A566-R570 WeakPolarHBondContact O-CB 3.43Å; A566-R570 PolarHBondContact O-N 2.71Å
567I89.2Confident81.2Confident25 Ų2561.4 Ų61.413%0.12831%0.305CS..Hα-helixtrans-58.1-49.9174.4-66163.3000110.7L444 V449 I563 E564 R565 R570 L571L444-I567 HydrophobicContact CB-CD1 4.24Å; L444-I567 HydrophobicContact CB-CG1 3.7Å; V449-I567 HydrophobicContact CG2-CD1 4.32Å; I563-I567 HydrophobicContact CG2-CD1 4.04Å; I563-I567 WeakPolarHBondContact O-CG1 3.41Å; I563-I567 PolarHBondContact O-N 2.99Å; I563-I567 VanDerWaalsContact O-N 3.09Å; E564-I567 PolarHBondContact O-N 2.9Å; R565-I567 PolarHBondContact O-N 2.76Å; I567-R570 PolarHBondContact O-N 3.02Å; I567-L571 HydrophobicContact CG2-CD1 3.98Å; I567-L571 WeakPolarHBondContact O-CG 3.35Å; I567-L571 PolarHBondContact O-N 3.45Å
568M84.6Confident79.2Confident104 Ų10463 Ų6351%0.51231%0.309SS..Hα-helixtrans-61.4-46.2-179.6-70178.873.200112.5E564 R565 R570 L571 Q572E564-M568 WeakPolarHBondContact O-CG 3.38Å; E564-M568 PolarHBondContact O-N 3.18Å; R565-M568 PolarHBondContact O-N 3.05Å; M568-R570 PolarHBondContact O-N 3.4Å; M568-L571 PolarHBondContact O-N 3.27Å; M568-Q572 WeakPolarHBondContact O-CG 3.37Å; M568-Q572 PolarHBondContact O-N 2.77Å; M568-Q572 VanDerWaalsContact O-N 3.12Å
569T81.3Confident76.8Confident53 Ų5367.6 Ų67.633%0.32532%0.323SS..Hα-helixtrans-63-40.1177.5-63.60000111.8R565 A566 L571 Q572 L573R565-T569 PolarHBondContact O-N 3.18Å; R565-T569 PolarHBondContact O-OG1 2.97Å; A566-T569 PolarHBondContact O-N 2.96Å; T569-L571 PolarHBondContact O-N 3Å; T569-Q572 PolarHBondContact O-N 3.38Å; T569-L573 HydrophobicContact CG2-CD1 3.95Å; T569-L573 HydrophobicContact CG2-CG 4.39Å; T569-L573 WeakPolarHBondContact O-CG 3.33Å; T569-L573 PolarHBondContact O-N 3.42Å
570R80.7Confident74.4Confident81 Ų8172.5 Ų72.531%0.30635%0.353SS..Hα-helixtrans-67.8-35.5179.5-166.268.8-179.295.42.5112.9D421 A422 A566 I567 M568 N574D421-R570 WeakPolarHBondContact O-CD 3.19Å; D421-R570 PolarHBondContact O-NE 3.22Å; A422-R570 HydrophobicContact CB-CB 3.64Å; A422-R570 HydrophobicContact CB-CG 3.95Å; A566-R570 WeakPolarHBondContact O-CB 3.43Å; A566-R570 PolarHBondContact O-N 2.71Å; I567-R570 PolarHBondContact O-N 3.02Å; M568-R570 PolarHBondContact O-N 3.4Å; R570-N574 PolarHBondContact NH1-OD1 3Å; R570-N574 PolarHBondContact O-N 3.32Å; R570-N574 PolarHBondContact O-ND2 3.49Å
571L79.8Confident72Confident65 Ų6581.2 Ų81.234%0.3438%0.384SS..Hα-helixtrans-63.4-49.1173.2-70.1168000111.2I567 M568 T569 L573 N574 E575I567-L571 HydrophobicContact CG2-CD1 3.98Å; I567-L571 WeakPolarHBondContact O-CG 3.35Å; I567-L571 PolarHBondContact O-N 3.45Å; M568-L571 PolarHBondContact O-N 3.27Å; T569-L571 PolarHBondContact O-N 3Å; L571-L573 PolarHBondContact O-N 2.69Å; L571-N574 PolarHBondContact O-N 2.65Å; L571-N574 VanDerWaalsContact O-N 3.14Å; L571-E575 PolarHBondContact O-N 2.78Å
572Q77.4Confident69.5Low112 Ų11279 Ų7952%0.52338%0.383SS..Hα-helixtrans-59.9-41.5178-70.6170.8-18.900113M568 T569 N574 E575 S576M568-Q572 WeakPolarHBondContact O-CG 3.37Å; M568-Q572 PolarHBondContact O-N 2.77Å; M568-Q572 VanDerWaalsContact O-N 3.12Å; T569-Q572 PolarHBondContact O-N 3.38Å; Q572-N574 PolarHBondContact O-N 2.86Å; Q572-E575 PolarHBondContact O-N 3.31Å; Q572-S576 PolarHBondContact O-N 3.4Å
573L73.4Confident67.3Low85 Ų8582.4 Ų82.445%0.44540%0.402SS..Hα-helixtrans-66.9-23.8178.1-72172.9000113.5T569 L571 S576 S577T569-L573 HydrophobicContact CG2-CD1 3.95Å; T569-L573 HydrophobicContact CG2-CG 4.39Å; T569-L573 WeakPolarHBondContact O-CG 3.33Å; T569-L573 PolarHBondContact O-N 3.42Å; L571-L573 PolarHBondContact O-N 2.69Å; L573-S576 PolarHBondContact O-OG 3.09Å; L573-S577 VanDerWaalsContact O-CB 3.25Å; L573-S577 WeakPolarHBondContact O-CB 3.34Å; L573-S577 PolarHBondContact O-N 3.26Å; L573-S577 PolarHBondContact O-OG 2.89Å
574N66Low64.8Low44 Ų4486.3 Ų86.324%0.23543%0.434CS..Hα-helixtrans-77.4-28.4175.8-75.6-21000112.7R570 L571 Q572 K578 L694R570-N574 PolarHBondContact NH1-OD1 3Å; R570-N574 PolarHBondContact O-N 3.32Å; R570-N574 PolarHBondContact O-ND2 3.49Å; L571-N574 PolarHBondContact O-N 2.65Å; L571-N574 VanDerWaalsContact O-N 3.14Å; Q572-N574 PolarHBondContact O-N 2.86Å; N574-K578 WeakPolarHBondContact O-CG 3.32Å; N574-L694 HydrophobicContact CB-CD2 4.25Å
575E54.9Low62.5Low89 Ų8988.2 Ų88.242%0.41646%0.458SS..Hα-helixtrans-69.8-51.5175.4-64.4175.9143.800111L571 Q572 S577 K578 R579 I673L571-E575 PolarHBondContact O-N 2.78Å; Q572-E575 PolarHBondContact O-N 3.31Å; E575-S577 PolarHBondContact O-N 3.09Å; E575-K578 PolarHBondContact O-N 3.45Å; E575-R579 PolarHBondContact O-N 2.96Å; E575-R579 VanDerWaalsContact O-N 3.09Å; E575-I673 WeakPolarHBondContact OE1-CD1 3.23Å
576S50.4Low60.3Low59 Ų5986.4 Ų86.441%0.41346%0.464SS..Hα-helixtrans-62.5-43.6179.757.50000112.4Q572 L573 K578 R579 T580Q572-S576 PolarHBondContact O-N 3.4Å; L573-S576 PolarHBondContact O-OG 3.09Å; S576-K578 PolarHBondContact O-N 2.59Å; S576-K578 VanDerWaalsContact O-N 3.14Å; S576-R579 PolarHBondContact O-N 2.81Å; S576-T580 PolarHBondContact O-N 3.46Å; S576-T580 VanDerWaalsContact O-N 3.14Å; S576-T580 PolarHBondContact O-OG1 3.14Å
577S50.9Low57.4Low58 Ų5889.6 Ų89.641%0.40650%0.497SS..Hα-helixtrans-60.6-22.9178-63.50000114.1L573 E575 R581L573-S577 VanDerWaalsContact O-CB 3.25Å; L573-S577 WeakPolarHBondContact O-CB 3.34Å; L573-S577 PolarHBondContact O-N 3.26Å; L573-S577 PolarHBondContact O-OG 2.89Å; E575-S577 PolarHBondContact O-N 3.09Å; S577-R581 WeakPolarHBondContact O-CD 3.25Å; S577-R581 WeakPolarHBondContact O-CG 3.42Å; S577-R581 PolarHBondContact O-NE 3.35Å
578K47.6Very low54.6Low106 Ų10693.7 Ų93.746%0.46153%0.527SS..Hα-helixtrans-90.8-43.3175.9-72.9-173.3174.6-166.80112.1N574 E575 S576 T580 R581 A582 H693 L694N574-K578 WeakPolarHBondContact O-CG 3.32Å; E575-K578 PolarHBondContact O-N 3.45Å; S576-K578 PolarHBondContact O-N 2.59Å; S576-K578 VanDerWaalsContact O-N 3.14Å; K578-T580 VanDerWaalsContact C-N 3.33Å; K578-T580 PolarHBondContact O-N 3.33Å; K578-R581 PolarHBondContact O-N 2.87Å; K578-R581 VanDerWaalsContact O-N 3.09Å; K578-A582 PolarHBondContact O-N 3.07Å; K578-H693 PolarHBondContact NZ-O 2.96Å; K578-L694 HydrophobicContact CD-CD2 4.34Å
579R40.9Very low52.3Low176 Ų17695.1 Ų95.166%0.66454%0.541SS*.Hα-helixtrans-56.2-43.3175.1-99.2-171.5176.6-143.7-2.7112.6E575 S576 R581 A582 I583E575-R579 PolarHBondContact O-N 2.96Å; E575-R579 VanDerWaalsContact O-N 3.09Å; S576-R579 PolarHBondContact O-N 2.81Å; R579-R581 VanDerWaalsContact C-N 3.3Å; R579-R581 PolarHBondContact O-N 3.36Å; R579-A582 PolarHBondContact O-N 3.34Å; R579-I583 WeakPolarHBondContact O-CG1 3.42Å; R579-I583 PolarHBondContact O-N 2.82Å; R579-I583 VanDerWaalsContact O-N 3.08Å
580T44.4Very low50Low102 Ų10299.6 Ų99.663%0.62657%0.569SS**Hα-helixtrans-63.4-33.4178-54.90000112.9S576 K578 A584S576-T580 PolarHBondContact O-N 3.46Å; S576-T580 VanDerWaalsContact O-N 3.14Å; S576-T580 PolarHBondContact O-OG1 3.14Å; K578-T580 VanDerWaalsContact C-N 3.33Å; K578-T580 PolarHBondContact O-N 3.33Å; T580-A584 WeakPolarHBondContact O-CB 3.33Å; T580-A584 PolarHBondContact O-N 2.6Å; T580-A584 VanDerWaalsContact O-N 3.12Å
581R43Very low47.7Very low193 Ų19399.2 Ų99.273%0.72859%0.59SS**Hα-helixtrans-74.4-40.8177.3-66.6178.4-169.1-156.91.3112.3S577 K578 R579 A584 A585S577-R581 WeakPolarHBondContact O-CD 3.25Å; S577-R581 WeakPolarHBondContact O-CG 3.42Å; S577-R581 PolarHBondContact O-NE 3.35Å; K578-R581 PolarHBondContact O-N 2.87Å; K578-R581 VanDerWaalsContact O-N 3.09Å; R579-R581 VanDerWaalsContact C-N 3.3Å; R579-R581 PolarHBondContact O-N 3.36Å; R581-A584 PolarHBondContact O-N 3.44Å; R581-A585 WeakPolarHBondContact O-CB 3.42Å; R581-A585 PolarHBondContact O-N 2.88Å
582A40.3Very low45.6Very low59 Ų59103.3 Ų103.349%0.48862%0.617SS.*Hα-helixtrans-62.7-42.1176.700000112.2K578 R579 A585 T586K578-A582 PolarHBondContact O-N 3.07Å; R579-A582 PolarHBondContact O-N 3.34Å; A582-A585 PolarHBondContact O-N 3.3Å; A582-T586 PolarHBondContact O-N 2.77Å; A582-T586 PolarHBondContact O-OG1 3.33Å
583I44.3Very low43.3Very low118 Ų118102 Ų10261%0.60563%0.633SS**Hα-helixtrans-67.7-38.7176.4-64.5166.2000111.1R579 A585 T586R579-I583 WeakPolarHBondContact O-CG1 3.42Å; R579-I583 PolarHBondContact O-N 2.82Å; R579-I583 VanDerWaalsContact O-N 3.08Å; I583-A585 VanDerWaalsContact C-N 3.28Å; I583-A585 PolarHBondContact O-N 2.87Å; I583-T586 PolarHBondContact O-N 3.26Å; I583-T586 PolarHBondContact O-OG1 2.77Å
584A41.9Very low41.3Very low82 Ų82101.9 Ų101.968%0.67865%0.653SS**Hα-helixtrans-66.3-26.9174.900000113.6T580 R581T580-A584 WeakPolarHBondContact O-CB 3.33Å; T580-A584 PolarHBondContact O-N 2.6Å; T580-A584 VanDerWaalsContact O-N 3.12Å; R581-A584 PolarHBondContact O-N 3.44Å
585A41.6Very low39.7Very low87 Ų87106.1 Ų106.172%0.71968%0.681SS**Hα-helixtrans-81.3-13.1178.600000114.2R581 A582 I583R581-A585 WeakPolarHBondContact O-CB 3.42Å; R581-A585 PolarHBondContact O-N 2.88Å; A582-A585 PolarHBondContact O-N 3.3Å; I583-A585 VanDerWaalsContact C-N 3.28Å; I583-A585 PolarHBondContact O-N 2.87Å
586T44Very low38.7Very low115 Ų115107.9 Ų107.971%0.70670%0.703SS**Hα-helixtrans-111.4-1.1-172.440.20000114.3A582 I583 C588A582-T586 PolarHBondContact O-N 2.77Å; A582-T586 PolarHBondContact O-OG1 3.33Å; I583-T586 PolarHBondContact O-N 3.26Å; I583-T586 PolarHBondContact O-OG1 2.77Å; T586-C588 PolarHBondContact O-N 2.82Å
587G29.3Very low37.8Very low69 Ų69108.9 Ų108.971%0.71172%0.722SS**  trans-96.178.2-17600000115.1
588C30.8Very low37.1Very low111 Ų111111 Ų11175%0.7574%0.738SS**  trans-151.5163.1164.3-1540000113.6T586T586-C588 PolarHBondContact O-N 2.82Å
589T36Very low36.5Very low133 Ų133113.3 Ų113.382%0.81676%0.755SS**  trans56.680.217557.10000117.7
590T31.8Very low36.3Very low148 Ų148113.3 Ų113.391%0.90876%0.762SS**  trans-70.6129.814750.20000110.3
591G32.9Very low35.7Very low73 Ų73115.1 Ų115.175%0.75377%0.767SS**  trans166.788.717100000119.2
592V36Very low35.3Very low151 Ų151111.4 Ų111.492%0.91577%0.771SS**  trans30.2102.9143.1-162.40000120.4
593G29.4Very low35Very low83 Ų83116.1 Ų116.186%0.85679%0.788SS**  trans49135.2132.500000123.7
594G30.6Very low34.6Very low84 Ų84117.6 Ų117.687%0.86680%0.802SS**  trans174.4101.5168.100000116
595T32.1Very low34.3Very low132 Ų132119.2 Ų119.281%0.8181%0.809SS**  trans-57.6146.1-176.948.40000119.5
596S33.8Very low33.9Very low126 Ų126118.1 Ų118.188%0.88181%0.805SS**  trans72.8138.5141.8-58.10000122
597G31.8Very low33.4Very low80 Ų80121.7 Ų121.783%0.82582%0.819SS**  trans16668.6167.800000119.6
598S36.6Very low33.6Very low104 Ų104122.2 Ų122.273%0.72783%0.825SS**  trans-11.2142165.8-51.30000123.7
599N34.8Very low33.8Very low154 Ų154123.2 Ų123.282%0.82483%0.833SS**  trans48.2131.6133.5-50.3-16.6000120.6
600H36.4Very low33.8Very low175 Ų175120.7 Ų120.781%0.8183%0.834SS**  -170.2172.974.2-165.4-94.8000112.7
601L32.5Very low33.9Very low140 Ų140120 Ų12073%0.73384%0.835SS**  trans-94.8159.3179.1-56.294.5000114.4
602S34.9Very low33.9Very low115 Ų115120 Ų12080%0.80484%0.835SS**  140.9157.9114.966.80000116.6
603N33.1Very low33.8Very low158 Ų158123.9 Ų123.985%0.84583%0.833SS**  trans-69.6166.4-171.5-55-30.8000114.9
604V36.8Very low33.9Very low149 Ų149128.8 Ų128.890%0.90383%0.833SS**  -161.5158.5122.1135.90000110.7
605S34.7Very low33.9Very low117 Ų117128.3 Ų128.382%0.81883%0.828SS**  trans-115.8153.1-170.553.70000114.6
606G34.1Very low33.7Very low63 Ų63129.7 Ų129.765%0.64983%0.831SS**  trans174.8114.8166.200000110.7
607L34Very low33.9Very low190 Ų190129.7 Ų129.7100%0.99583%0.831SS**  74.5117.178.1-74.6171.9000114.4
608G33.6Very low33.8Very low81 Ų81133.9 Ų133.984%0.83583%0.834SS**  trans166.7107.2172.100000113.3
609S33.2Very low33.6Very low132 Ų132134 Ų13492%0.92384%0.835SS**  trans-94.4149.8-176.1-54.90000113.2
610G36.2Very low33.6Very low80 Ų80134.1 Ų134.183%0.82584%0.835SS**  trans-165.9106.4171.700000113.9
611S33.6Very low33.3Very low133 Ų133132 Ų13293%0.9383%0.829SS**  trans-93.6134.4-176-520000112.6
612G33.8Very low33.1Very low74 Ų74130.1 Ų130.176%0.76383%0.828SS**  trans-162.163.7-172.600000118.7
613R34.5Very low32.8Very low231 Ų231130.1 Ų130.187%0.87283%0.828SS**  trans22.8127.4151.5-65.7-179176.5-178.7-1.3121.6
614H31.2Very low32.7Very low187 Ų187134.2 Ų134.287%0.86683%0.832SS**  trans47.7135.3138.1-67-80.9000122
615G31Very low32.2Very low73 Ų73133 Ų13375%0.75383%0.828SS**  trans160.592.1154.700000114.2S617G615-S617 PolarHBondContact O-N 2.72Å
616D28.2Very low32.1Very low161 Ų161130.4 Ų130.486%0.86182%0.82SS**  trans-68.8127.3174-55.7-87.1000111.6
617S37Very low32.1Very low127 Ų127131.1 Ų131.189%0.88882%0.82SS**  trans-159.993.5164.8-80.20000110.4G615G615-S617 PolarHBondContact O-N 2.72Å
618N30.6Very low32.1Very low168 Ų168124.4 Ų124.490%0.89880%0.797SS**  trans-87.3161.9170.5-152.6-12.5000109.9
619S31.5Very low32.7Very low105 Ų105125.9 Ų125.973%0.73479%0.785SS**  trans70.1101.4-177.2-171.80000117.2
620L35.3Very low33.3Very low158 Ų158122.5 Ų122.583%0.82777%0.765SS**  trans-153.7111.2141-112.9177.3000112.4
621N28.7Very low33.9Very low129 Ų129124 Ų12469%0.6976%0.755SS**  trans28.8111.2150.1-63.5-11.4000121.9
622S28.4Very low35.1Very low101 Ų101124.3 Ų124.371%0.70674%0.741SS**  65.5150.5123.974.60000122.2
623S29.3Very low36.4Very low116 Ų116126.6 Ų126.681%0.81174%0.735SS**  trans68.753.1151.7-52.60000117.6
624R30.1Very low37.7Very low244 Ų244118.4 Ų118.492%0.92172%0.718SS**  trans-124.8115.9156.9-77.9-167.8169.9-169.5-3.1112.7
625C27.3Very low39.4Very low122 Ų122113.1 Ų113.182%0.82470%0.698SS**  trans-60.3131.7-176.538.50000115.8A627C625-A627 VanDerWaalsContact C-N 3.28Å; C625-A627 PolarHBondContact O-N 3.3Å
626G32.6Very low41.5Very low63 Ų63112.5 Ų112.565%0.64968%0.68SS**SBend68.6-9.1129.400000120.7
627A33.3Very low43.8Very low79 Ų79109.7 Ų109.765%0.65366%0.661SS**SBendtrans-93.3-25.5-17600000114.5C625C625-A627 VanDerWaalsContact C-N 3.28Å; C625-A627 PolarHBondContact O-N 3.3Å
628G35.1Very low45.9Very low49 Ų49110.2 Ų110.251%0.50565%0.65SS.*Hα-helixtrans-70.8-54.6-178.300000112.4A630 N631 E632G628-A630 PolarHBondContact O-N 3.21Å; G628-A630 VanDerWaalsContact O-N 3.12Å; G628-N631 PolarHBondContact O-N 3.39Å; G628-E632 PolarHBondContact O-N 3.25Å; G628-E632 VanDerWaalsContact O-N 3.15Å
629D45.6Very low48.5Very low111 Ų111104.2 Ų104.259%0.59462%0.617SS**Hα-helixtrans-51-39.9-176.8-47.613.6000112.3N631 E632 L633D629-N631 PolarHBondContact O-N 3.45Å; D629-E632 PolarHBondContact O-N 2.81Å; D629-L633 VanDerWaalsContact O-CB 3.28Å; D629-L633 WeakPolarHBondContact O-CB 3.37Å; D629-L633 WeakPolarHBondContact O-CD1 3.41Å; D629-L633 WeakPolarHBondContact O-CG 3.44Å; D629-L633 PolarHBondContact O-N 3.04Å
630A46.3Very low51.1Low61 Ų6199.4 Ų99.450%0.50458%0.583SS.*Hα-helixtrans-64.6-36.9-179.800000112.9G628 A634G628-A630 PolarHBondContact O-N 3.21Å; G628-A630 VanDerWaalsContact O-N 3.12Å; A630-A634 VanDerWaalsContact O-CB 3.3Å; A630-A634 WeakPolarHBondContact O-CB 3.2Å; A630-A634 PolarHBondContact O-N 2.88Å
631N49.5Very low53.6Low112 Ų11297.1 Ų97.160%0.59957%0.568SS**Hα-helixtrans-76-39.1177.7-172.466.7000111.4G628 D629 A634 V635G628-N631 PolarHBondContact O-N 3.39Å; D629-N631 PolarHBondContact O-N 3.45Å; N631-A634 PolarHBondContact O-N 2.87Å; N631-V635 WeakPolarHBondContact O-CG2 3.26Å; N631-V635 PolarHBondContact O-N 2.96Å
632E58.8Low56.5Low139 Ų13993 Ų9365%0.6555%0.55SS*.Hα-helixtrans-65.8-40.6176.1-167.5172.9164.600111.8G628 D629 T636G628-E632 PolarHBondContact O-N 3.25Å; G628-E632 VanDerWaalsContact O-N 3.15Å; D629-E632 PolarHBondContact O-N 2.81Å; E632-T636 WeakPolarHBondContact O-CB 3.47Å; E632-T636 PolarHBondContact O-N 3.38Å; E632-T636 PolarHBondContact O-OG1 2.88Å
633L60.6Low59.6Low122 Ų12288.3 Ų88.364%0.63952%0.517SS*.Hα-helixtrans-62.8-44.7170.9-74.4165.7000112.1D629 T636 E637D629-L633 VanDerWaalsContact O-CB 3.28Å; D629-L633 WeakPolarHBondContact O-CB 3.37Å; D629-L633 WeakPolarHBondContact O-CD1 3.41Å; D629-L633 WeakPolarHBondContact O-CG 3.44Å; D629-L633 PolarHBondContact O-N 3.04Å; L633-T636 PolarHBondContact O-N 3.34Å; L633-E637 WeakPolarHBondContact O-CB 3.38Å; L633-E637 PolarHBondContact O-N 3.5Å
634A62Low62.6Low60 Ų6085.1 Ų85.150%0.49649%0.487SS..Hα-helixtrans-64.9-40178.900000112.9A630 N631 H638A630-A634 VanDerWaalsContact O-CB 3.3Å; A630-A634 WeakPolarHBondContact O-CB 3.2Å; A630-A634 PolarHBondContact O-N 2.88Å; N631-A634 PolarHBondContact O-N 2.87Å; A634-H638 WeakPolarHBondContact O-CB 3.49Å; A634-H638 PolarHBondContact O-N 3.11Å
635V66.4Low65.5Low76 Ų7677.7 Ų77.746%0.46147%0.472SS..Hα-helixtrans-63.6-44.4172.6168.90000110.7N631 E637 H638 L639N631-V635 WeakPolarHBondContact O-CG2 3.26Å; N631-V635 PolarHBondContact O-N 2.96Å; V635-E637 PolarHBondContact O-N 3.43Å; V635-H638 PolarHBondContact O-N 2.98Å; V635-L639 HydrophobicContact CG1-CD1 4.11Å; V635-L639 WeakPolarHBondContact O-CG 3.49Å; V635-L639 PolarHBondContact O-N 2.69Å
636T74.1Confident68.7Low59 Ų5972.4 Ų72.436%0.36244%0.437SS..Hα-helixtrans-60.8-46.2177.9-56.50000111.3E632 L633 H638 L639 I640E632-T636 WeakPolarHBondContact O-CB 3.47Å; E632-T636 PolarHBondContact O-N 3.38Å; E632-T636 PolarHBondContact O-OG1 2.88Å; L633-T636 PolarHBondContact O-N 3.34Å; T636-H638 PolarHBondContact O-N 3.33Å; T636-L639 PolarHBondContact O-N 2.71Å; T636-I640 HydrophobicContact CG2-CD1 3.97Å; T636-I640 WeakPolarHBondContact O-CG1 3.47Å; T636-I640 PolarHBondContact O-N 3.46Å
637E77.8Confident71.6Confident102 Ų10272.3 Ų72.348%0.47743%0.431SS..Hα-helixtrans-66-38.4179.5-163.562.9-154.100112L633 V635 L639 I640 Q641L633-E637 WeakPolarHBondContact O-CB 3.38Å; L633-E637 PolarHBondContact O-N 3.5Å; V635-E637 PolarHBondContact O-N 3.43Å; E637-L639 VanDerWaalsContact C-N 3.35Å; E637-L639 PolarHBondContact O-N 2.82Å; E637-I640 PolarHBondContact O-N 3.49Å; E637-Q641 WeakPolarHBondContact O-CB 3.44Å; E637-Q641 PolarHBondContact O-N 2.93Å
638H81.6Confident74.4Confident139 Ų13969.6 Ų69.664%0.64441%0.41SS*.Hα-helixtrans-62.3-40.3173.6-178.3-81.2000112.2A634 V635 T636 Q641 S642A634-H638 WeakPolarHBondContact O-CB 3.49Å; A634-H638 PolarHBondContact O-N 3.11Å; V635-H638 PolarHBondContact O-N 2.98Å; T636-H638 PolarHBondContact O-N 3.33Å; H638-Q641 PolarHBondContact O-N 3.31Å; H638-S642 PolarHBondContact O-N 2.82Å
639L85.3Confident77.4Confident41 Ų4167.4 Ų67.422%0.21539%0.387CS..Hα-helixtrans-66.5-41.4174.9-67.4169.6000111.7V635 T636 E637 S642 I643 V702V635-L639 HydrophobicContact CG1-CD1 4.11Å; V635-L639 WeakPolarHBondContact O-CG 3.49Å; V635-L639 PolarHBondContact O-N 2.69Å; T636-L639 PolarHBondContact O-N 2.71Å; E637-L639 VanDerWaalsContact C-N 3.35Å; E637-L639 PolarHBondContact O-N 2.82Å; L639-S642 WeakPolarHBondContact O-CB 3.5Å; L639-S642 PolarHBondContact O-N 3.37Å; L639-I643 PolarHBondContact O-N 3.2Å; L639-I643 VanDerWaalsContact O-N 3.13Å; L639-V702 HydrophobicContact CB-CG1 4.43Å; L639-V702 HydrophobicContact CB-CG2 4.05Å; L639-V702 HydrophobicContact CD2-CB 4.43Å; L639-V702 HydrophobicContact CD2-CG1 4Å; L639-V702 HydrophobicContact CD2-CG2 4.2Å; L639-V702 HydrophobicContact CG-CG2 4.5Å
640I85.3Confident79.7Confident5 Ų566.9 Ų66.93%0.02638%0.384CS..Hα-helixtrans-61-44.8174-71166.9000110.8T636 E637 S642 I643 R644 L692T636-I640 HydrophobicContact CG2-CD1 3.97Å; T636-I640 WeakPolarHBondContact O-CG1 3.47Å; T636-I640 PolarHBondContact O-N 3.46Å; E637-I640 PolarHBondContact O-N 3.49Å; I640-S642 VanDerWaalsContact C-N 3.32Å; I640-S642 PolarHBondContact O-N 2.77Å; I640-I643 WeakPolarHBondContact O-CB 3.38Å; I640-I643 PolarHBondContact O-N 3.04Å; I640-I643 VanDerWaalsContact O-N 3.07Å; I640-R644 PolarHBondContact O-N 3.1Å; I640-L692 VanDerWaalsContact CD1-O 3.24Å; I640-L692 WeakPolarHBondContact CD1-O 3.38Å; I640-L692 HydrophobicContact CG1-CB 4.39Å; I640-L692 HydrophobicContact CG1-CD2 4.48Å; I640-L692 HydrophobicContact CG2-CB 4.31Å; I640-L692 HydrophobicContact CG2-CD1 4.16Å; I640-L692 HydrophobicContact CG2-CD2 4.41Å
641Q87.1Confident82.1Confident110 Ų11069.7 Ų69.751%0.51439%0.385SS..Hα-helixtrans-64-36.8178-17258.824.400112.1E637 H638 I643 R644 S645E637-Q641 WeakPolarHBondContact O-CB 3.44Å; E637-Q641 PolarHBondContact O-N 2.93Å; H638-Q641 PolarHBondContact O-N 3.31Å; Q641-I643 VanDerWaalsContact C-N 3.28Å; Q641-I643 PolarHBondContact O-N 2.96Å; Q641-R644 PolarHBondContact O-N 3.22Å; Q641-S645 WeakPolarHBondContact O-CB 3.26Å; Q641-S645 PolarHBondContact O-N 2.89Å; Q641-S645 PolarHBondContact O-OG 3.36Å
642S89.9Confident84.4Confident43 Ų4364.5 Ų64.530%0.30136%0.357SS..Hα-helixtrans-63.6-29.7172.3-172.80000113.1H638 L639 I640 S645 S706H638-S642 PolarHBondContact O-N 2.82Å; L639-S642 WeakPolarHBondContact O-CB 3.5Å; L639-S642 PolarHBondContact O-N 3.37Å; I640-S642 VanDerWaalsContact C-N 3.32Å; I640-S642 PolarHBondContact O-N 2.77Å; S642-S645 PolarHBondContact O-OG 3.13Å; S642-S645 VanDerWaalsContact O-OG 3.1Å; S642-S706 VanDerWaalsContact C-OG 3.25Å; S642-S706 PolarHBondContact O-OG 3.13Å; S642-S706 PolarHBondContact OG-OG 3.25Å
643I93.4Very high86.2Confident1 Ų157.9 Ų57.91%0.00533%0.327CS..Hα-helixtrans-73.5-46.9171.3-64.5170.6000110.2L639 I640 Q641 S645 A646 N649 M670 L692 W697 V702 M705L639-I643 PolarHBondContact O-N 3.2Å; L639-I643 VanDerWaalsContact O-N 3.13Å; I640-I643 WeakPolarHBondContact O-CB 3.38Å; I640-I643 PolarHBondContact O-N 3.04Å; I640-I643 VanDerWaalsContact O-N 3.07Å; Q641-I643 VanDerWaalsContact C-N 3.28Å; Q641-I643 PolarHBondContact O-N 2.96Å; I643-S645 VanDerWaalsContact C-N 3.28Å; I643-S645 PolarHBondContact O-N 3.22Å; I643-A646 PolarHBondContact O-N 2.68Å; I643-N649 PolarHBondContact O-ND2 3.2Å; I643-M670 HydrophobicContact CG2-CG 4.27Å; I643-M670 HydrophobicContact CG2-SD 3.64Å; I643-L692 HydrophobicContact CB-CD2 4.22Å; I643-L692 HydrophobicContact CD1-CD2 3.76Å; I643-L692 HydrophobicContact CG2-CD2 4.01Å; I643-W697 HydrophobicContact CD1-CD2 4.09Å; I643-W697 HydrophobicContact CD1-CE3 3.64Å; I643-W697 HydrophobicContact CD1-CH2 3.85Å; I643-W697 HydrophobicContact CD1-CZ2 4.31Å; I643-W697 HydrophobicContact CD1-CZ3 3.51Å; I643-V702 HydrophobicContact CD1-CG2 4.18Å; I643-V702 HydrophobicContact CG1-CG1 4.11Å; I643-M705 HydrophobicContact CD1-CB 4.29Å; I643-M705 HydrophobicContact CG1-CB 3.93Å; I643-M705 HydrophobicContact CG2-CB 4.02Å; I643-M705 HydrophobicContact CG2-CE 4.28Å
644R92.3Very high87.9Confident50 Ų5052.1 Ų52.119%0.18930%0.296CS..Hα-helixtrans-62.3-33.3-179.7-67.4-171.3-170.7-84.94.4112.6I640 Q641 A646 D661 L692 H693I640-R644 PolarHBondContact O-N 3.1Å; Q641-R644 PolarHBondContact O-N 3.22Å; R644-A646 PolarHBondContact O-N 3.41Å; R644-D661 IonicContact CZ-OD1 3.5Å; R644-D661 IonicContact NH1-OD1 2.76Å; R644-D661 PolarHBondContact NH1-OD1 3.41Å; R644-D661 IonicContact NH2-OD1 3.88Å; R644-D661 PolarHBondContact NH2-OD1 3.28Å; R644-L692 HydrophobicContact CG-CD1 4.32Å; R644-H693 PolarHBondContact NH2-NE2 2.86Å
645S92.3Very high89.5Confident88 Ų8849.3 Ų49.362%0.61527%0.273SS*.THydrogen-bonded Turntrans-71.3-6.8-179.861.40000115.8Q641 S642 I643Q641-S645 WeakPolarHBondContact O-CB 3.26Å; Q641-S645 PolarHBondContact O-N 2.89Å; Q641-S645 PolarHBondContact O-OG 3.36Å; S642-S645 PolarHBondContact O-OG 3.13Å; S642-S645 VanDerWaalsContact O-OG 3.1Å; I643-S645 VanDerWaalsContact C-N 3.28Å; I643-S645 PolarHBondContact O-N 3.22Å
646A92.8Very high90.9Very high10 Ų1047.2 Ų47.28%0.08327%0.267CS..SBendtrans-79.2142.8177.300000111.8I643 R644 G648 N649I643-A646 PolarHBondContact O-N 2.68Å; R644-A646 PolarHBondContact O-N 3.41Å; A646-G648 PolarHBondContact O-N 2.96Å; A646-N649 VanDerWaalsContact O-CB 3.28Å; A646-N649 WeakPolarHBondContact O-CB 3.31Å; A646-N649 PolarHBondContact O-N 2.99Å
647A93.9Very high91.9Very high62 Ų6245 Ų4551%0.51226%0.255SS..THydrogen-bonded Turntrans-54.4122.9-164.500000113.8N649 N710 T711A647-N649 VanDerWaalsContact C-N 3.34Å; A647-N710 PolarHBondContact O-N 3.42Å; A647-T711 WeakPolarHBondContact O-CB 3.48Å; A647-T711 PolarHBondContact O-N 2.94Å; A647-T711 PolarHBondContact O-OG1 3.02Å
648G93.4Very high92.7Very high22 Ų2244.1 Ų44.123%0.22726%0.258CS..THydrogen-bonded Turntrans830.217700000115.2A646 D650 F651 N710 T711A646-G648 PolarHBondContact O-N 2.96Å; G648-D650 PolarHBondContact O-N 3.4Å; G648-F651 PolarHBondContact O-N 3.31Å; G648-F651 VanDerWaalsContact O-O 3.11Å; G648-N710 WeakPolarHBondContact O-CB 3.46Å; G648-N710 PolarHBondContact O-ND2 3.02Å; G648-T711 PolarHBondContact N-OG1 3.21Å
649N96.2Very high93.1Very high3 Ų344 Ų442%0.01626%0.257CS..THydrogen-bonded Turntrans-70.1-7.3178.9-76-3.5000113.7I643 A646 A647 F651 P660 M670 G709 N710I643-N649 PolarHBondContact O-ND2 3.2Å; A646-N649 VanDerWaalsContact O-CB 3.28Å; A646-N649 WeakPolarHBondContact O-CB 3.31Å; A646-N649 PolarHBondContact O-N 2.99Å; A647-N649 VanDerWaalsContact C-N 3.34Å; N649-F651 PolarHBondContact O-N 3.13Å; N649-P660 VanDerWaalsContact O-CD 3.32Å; N649-P660 WeakPolarHBondContact O-CD 3.32Å; N649-P660 WeakPolarHBondContact O-CG 3.27Å; N649-M670 HydrophobicContact CB-CB 4.29Å; N649-M670 HydrophobicContact CB-CG 3.82Å; N649-M670 VanDerWaalsContact CG-CG 3.4Å; N649-G709 WeakPolarHBondContact OD1-CA 3.49Å; N649-N710 PolarHBondContact OD1-N 3.47Å
650D94Very high93.6Very high99 Ų9942 Ų4253%0.52925%0.247SC..THydrogen-bonded Turntrans-64.6-20.7170.8-43.7-84000113.1G648 P658 E659 P660G648-D650 PolarHBondContact O-N 3.4Å; D650-P658 CarbonylContact O-C 3.53Å; D650-P658 WeakPolarHBondContact O-CA 3.28Å; D650-E659 PolarHBondContact O-N 2.82Å; D650-P660 WeakPolarHBondContact O-CD 3.44Å
651F96.8Very high94Very high120 Ų12044.6 Ų44.653%0.52626%0.261SS..BIsolated β-bridgetrans-131.5138.8-178-57.9-81.9000111.7G648 N649 A653 G656 A657 P658 N710G648-F651 PolarHBondContact O-N 3.31Å; G648-F651 VanDerWaalsContact O-O 3.11Å; N649-F651 PolarHBondContact O-N 3.13Å; F651-A653 PolarHBondContact O-N 2.9Å; F651-G656 WeakPolarHBondContact CD1-O 3.34Å; F651-A657 CarbonylContact C-O 3.45Å; F651-P658 HydrophobicContact CD1-CB 4.19Å; F651-P658 HydrophobicContact CE1-CB 4.21Å; F651-N710 PolarHBondContact O-ND2 3.42Å
652C97.7Very high94.5Very high3 Ų340.3 Ų40.32%0.0224%0.24CC..  trans-51.6127.8176.3173.10000112.1D654 C655 G656 A657 P660 C672C652-D654 PolarHBondContact O-N 2.81Å; C652-C655 VanDerWaalsContact SG-SG 3.62Å; C652-G656 WeakPolarHBondContact O-CA 3.09Å; C652-G656 PolarHBondContact O-N 3.15Å; C652-A657 HydrophobicContact CB-CB 4.04Å; C652-A657 WeakPolarHBondContact CB-O 3.33Å; C652-A657 PolarHBondContact N-O 2.96Å; C652-P660 HydrophobicContact CB-CB 4.39Å; C652-C672 HydrophobicContact CB-CB 4.02Å; C652-C672 PolarHBondContact SG-N 3.05Å
653A97Very high94.8Very high1 Ų138.3 Ų38.31%0.00823%0.226CC..THydrogen-bonded Turntrans-51.2-36.5-176.200000113.3F651 A669 M670 V671 N710 N714 K755 K772F651-A653 PolarHBondContact O-N 2.9Å; A653-A669 HydrophobicContact CB-CB 4.15Å; A653-M670 WeakPolarHBondContact CB-O 3.45Å; A653-M670 PolarHBondContact N-O 2.92Å; A653-V671 HydrophobicContact CB-CG1 4.04Å; A653-N710 WeakPolarHBondContact CB-OD1 3.34Å; A653-N710 PolarHBondContact N-ND2 3.09Å; A653-N714 PolarHBondContact O-ND2 3.15Å; A653-K755 WeakPolarHBondContact O-CE 3.42Å; A653-K755 PolarHBondContact O-NZ 3.37Å; A653-K772 PolarHBondContact O-NZ 3.05Å
654D97.5Very high95Very high0 Ų038.2 Ų38.20%023%0.226CC..THydrogen-bonded Turntrans-100.8-36-169-49-54.1000114.1C652 V671 H679 K755 P756 W768 I769 K772 Y773C652-D654 PolarHBondContact O-N 2.81Å; D654-V671 WeakPolarHBondContact OD2-CG1 3.36Å; D654-H679 IonicContact OD2-NE2 2.99Å; D654-H679 PolarHBondContact OD2-NE2 3.49Å; D654-K755 WeakPolarHBondContact O-CE 3.43Å; D654-K755 VanDerWaalsContact O-CG 3.31Å; D654-K755 WeakPolarHBondContact O-CG 3.29Å; D654-P756 WeakPolarHBondContact O-CD 3.47Å; D654-P756 WeakPolarHBondContact O-CG 3.41Å; D654-W768 PolarHBondContact O-NE1 3.42Å; D654-I769 HydrophobicContact CB-CD1 4.14Å; D654-I769 HydrophobicContact CB-CG1 3.92Å; D654-K772 IonicContact OD1-NZ 2.78Å; D654-K772 PolarHBondContact OD1-NZ 3.37Å; D654-Y773 VanDerWaalsContact OD1-CE2 3.31Å; D654-Y773 WeakPolarHBondContact OD1-CE2 3.38Å; D654-Y773 PolarHBondContact OD1-OH 3.34Å
655C95.6Very high95.2Very high2 Ų236.3 Ų36.31%0.01422%0.219CC..THydrogen-bonded Turntrans-125.95.7-172.881.40000115C652 A657 C672 C675 P756 D757 P758 K765C652-C655 VanDerWaalsContact SG-SG 3.62Å; C655-A657 PolarHBondContact O-N 3.23Å; C655-C672 VanDerWaalsContact SG-SG 3.65Å; C655-C675 VanDerWaalsContact SG-SG 3.67Å; C655-P756 CarbonylContact C-O 3.6Å; C655-P756 VanDerWaalsContact CA-O 3.27Å; C655-P756 WeakPolarHBondContact CA-O 3.28Å; C655-P756 HydrophobicContact CB-CB 4.3Å; C655-P756 HydrophobicContact CB-CG 3.97Å; C655-D757 CarbonylContact O-C 3.51Å; C655-P758 VanDerWaalsContact O-CD 3.3Å; C655-P758 WeakPolarHBondContact O-CD 3.37Å; C655-P758 VanDerWaalsContact O-N 3.13Å; C655-K765 HydrophobicContact CB-CG 4.43Å
656G94.6Very high95.3Very high31 Ų3132.3 Ų32.332%0.3219%0.191SC..  trans65.39.6177.500000116F651 C652F651-G656 WeakPolarHBondContact CD1-O 3.34Å; C652-G656 WeakPolarHBondContact O-CA 3.09Å; C652-G656 PolarHBondContact O-N 3.15Å
657A95.3Very high95.4Very high13 Ų1332 Ų3211%0.10719%0.187CC..  trans-62.8129.6175.700000110.6F651 C652 C655 C672 P758F651-A657 CarbonylContact C-O 3.45Å; C652-A657 HydrophobicContact CB-CB 4.04Å; C652-A657 WeakPolarHBondContact CB-O 3.33Å; C652-A657 PolarHBondContact N-O 2.96Å; C655-A657 PolarHBondContact O-N 3.23Å; A657-C672 HydrophobicContact CB-CB 3.93Å; A657-P758 HydrophobicContact CB-CB 3.93Å; A657-P758 HydrophobicContact CB-CG 4.26Å
658P94.7Very high95.5Very high83 Ų8329 Ų2954%0.53916%0.163SC..BIsolated β-bridgetrans-67.3161.1-176.729.8-36.6000112.2D650 F651D650-P658 CarbonylContact O-C 3.53Å; D650-P658 WeakPolarHBondContact O-CA 3.28Å; F651-P658 HydrophobicContact CD1-CB 4.19Å; F651-P658 HydrophobicContact CE1-CB 4.21Å
659E90.7Very high95.7Very high136 Ų13628 Ų2864%0.63615%0.152SC*.SBendtrans49.757.5175.9-59.8-176.9163.400113.7D650 D661D650-E659 PolarHBondContact O-N 2.82Å; E659-D661 PolarHBondContact O-N 2.8Å
660P95.6Very high95.8Very high1 Ų127.9 Ų27.91%0.00615%0.152CC..  trans-64.8120.5177.327.9-35.8000112.3N649 D650 C652 M670 V671N649-P660 VanDerWaalsContact O-CD 3.32Å; N649-P660 WeakPolarHBondContact O-CD 3.32Å; N649-P660 WeakPolarHBondContact O-CG 3.27Å; D650-P660 WeakPolarHBondContact O-CD 3.44Å; C652-P660 HydrophobicContact CB-CB 4.39Å; P660-M670 HydrophobicContact CB-CB 4.1Å; P660-M670 HydrophobicContact CG-CB 3.73Å; P660-M670 WeakPolarHBondContact O-CE 3.31Å; P660-V671 VanDerWaalsContact CB-C 3.41Å; P660-V671 WeakPolarHBondContact CB-O 3.18Å
661D93.9Very high96Very high59 Ų5923.1 Ų23.132%0.31613%0.127SC..  trans-97.33.1-179.2-76.5-12.2000115R644 E659 S691 L692 H693R644-D661 IonicContact CZ-OD1 3.5Å; R644-D661 IonicContact NH1-OD1 2.76Å; R644-D661 PolarHBondContact NH1-OD1 3.41Å; R644-D661 IonicContact NH2-OD1 3.88Å; R644-D661 PolarHBondContact NH2-OD1 3.28Å; E659-D661 PolarHBondContact O-N 2.8Å; D661-S691 WeakPolarHBondContact O-CA 3.13Å; D661-S691 PolarHBondContact O-OG 3.27Å; D661-L692 PolarHBondContact O-N 3.43Å; D661-H693 IonicContact OD1-NE2 3.14Å; D661-H693 IonicContact OD2-CD2 2.78Å
662W97.1Very high96Very high20 Ų2018.2 Ų18.28%0.07611%0.107CC..EExtended strand (participates in β ladder)trans-120.4151.3177.7-60.882.4000110.8M670 V671 I689 R690 S691 L694W662-M670 CarbonylContact O-C 3.59Å; W662-M670 WeakPolarHBondContact O-CA 3.35Å; W662-M670 VanDerWaalsContact O-CE 3.23Å; W662-M670 WeakPolarHBondContact O-CE 3.35Å; W662-V671 HydrophobicContact CB-CG2 4.04Å; W662-V671 WeakPolarHBondContact CB-O 3.42Å; W662-V671 PolarHBondContact N-O 3.22Å; W662-V671 VanDerWaalsContact N-O 3.17Å; W662-V671 PolarHBondContact O-N 2.82Å; W662-I689 HydrophobicContact CE3-CG2 3.7Å; W662-I689 HydrophobicContact CZ3-CG2 4.34Å; W662-R690 CarbonylContact C-O 3.32Å; W662-R690 VanDerWaalsContact CA-O 3.32Å; W662-R690 WeakPolarHBondContact CA-O 3.36Å; W662-S691 VanDerWaalsContact CZ3-CB 3.49Å; W662-L694 HydrophobicContact CH2-CD1 3.94Å; W662-L694 HydrophobicContact CZ2-CD1 4.09Å
663A96.9Very high95.9Very high0 Ų022.2 Ų22.20%013%0.127CC..EExtended strand (participates in β ladder)trans-131.7143.4-176.600000110.8A669 M670 I689 R690 W697 M705A663-A669 CarbonylContact C-O 3.55Å; A663-A669 WeakPolarHBondContact CA-O 3.46Å; A663-M670 HydrophobicContact CB-CE 4.36Å; A663-M670 HydrophobicContact CB-SD 3.57Å; A663-M670 VanDerWaalsContact CB-SD 3.57Å; A663-I689 CarbonylContact O-C 3.6Å; A663-I689 VanDerWaalsContact O-CA 3.27Å; A663-I689 WeakPolarHBondContact O-CA 2.91Å; A663-R690 PolarHBondContact N-O 3.49Å; A663-R690 PolarHBondContact O-N 2.72Å; A663-W697 HydrophobicContact CB-CH2 3.59Å; A663-W697 HydrophobicContact CB-CZ2 4.02Å; A663-M705 HydrophobicContact CB-CE 3.9Å; A663-M705 HydrophobicContact CB-SD 4.19Å
664S97.2Very high95.8Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans-103.397.9164.9-179.90000109.8N666 L667 G668 A669 S687S664-N666 PolarHBondContact O-N 2.98Å; S664-L667 PolarHBondContact O-N 2.71Å; S664-L667 VanDerWaalsContact OG-CD1 3.26Å; S664-L667 WeakPolarHBondContact OG-CD1 3.27Å; S664-L667 WeakPolarHBondContact OG-CG 3.44Å; S664-G668 PolarHBondContact O-N 2.74Å; S664-G668 VanDerWaalsContact O-N 3.13Å; S664-A669 PolarHBondContact N-O 2.77Å; S664-S687 WeakPolarHBondContact CB-OG 3.21Å; S664-S687 PolarHBondContact OG-OG 3.32Å
665L95.3Very high95.8Very high10 Ų1024 Ų245%0.05214%0.139CC..G310 helixtrans-50.6-52.3-170.2-63.7-177.4000113.5L667 G668 R688 R690 W697 M705 W847L665-L667 PolarHBondContact O-N 2.76Å; L665-G668 PolarHBondContact O-N 3.33Å; L665-R688 HydrophobicContact CB-CB 4.34Å; L665-R688 PolarHBondContact N-O 2.59Å; L665-R690 HydrophobicContact CD1-CG 3.74Å; L665-R690 HydrophobicContact CD2-CB 4.45Å; L665-R690 HydrophobicContact CD2-CG 4.14Å; L665-R690 HydrophobicContact CG-CG 3.92Å; L665-W697 HydrophobicContact CD2-CE3 4.34Å; L665-W697 HydrophobicContact CD2-CH2 3.56Å; L665-W697 HydrophobicContact CD2-CZ3 3.43Å; L665-W697 VanDerWaalsContact CD2-CZ3 3.43Å; L665-M705 HydrophobicContact CD2-CG 4.35Å; L665-W847 HydrophobicContact CB-CE3 4.42Å; L665-W847 HydrophobicContact CB-CH2 3.65Å; L665-W847 HydrophobicContact CB-CZ2 4.09Å; L665-W847 HydrophobicContact CB-CZ3 3.82Å; L665-W847 HydrophobicContact CD1-CH2 4.24Å; L665-W847 HydrophobicContact CD1-CZ2 4.02Å; L665-W847 HydrophobicContact CG-CH2 4.39Å; L665-W847 WeakPolarHBondContact O-CZ3 3.44Å
666N94.5Very high95.9Very high3 Ų324 Ų242%0.01614%0.139CC..G310 helixtrans-74.7-3-177.170.1-77.8000114.6S664 I686 S687 R688 W847 Y848S664-N666 PolarHBondContact O-N 2.98Å; N666-I686 PolarHBondContact ND2-O 3.26Å; N666-S687 WeakPolarHBondContact OD1-CA 3.49Å; N666-R688 PolarHBondContact OD1-N 3.19Å; N666-W847 HydrophobicContact CB-CB 4.2Å; N666-W847 HydrophobicContact CB-CD2 4.48Å; N666-W847 HydrophobicContact CB-CE3 4.09Å; N666-Y848 HydrophobicContact CB-CE2 4.12Å; N666-Y848 PolarHBondContact ND2-OH 2.77Å; N666-Y848 WeakPolarHBondContact O-CE2 3.35Å; N666-Y848 PolarHBondContact O-OH 3.44Å
667L96.4Very high95.8Very high3 Ų323.4 Ų23.42%0.01613%0.134CC..G310 helixtrans-109.2-8.3174.8-56.9176.4000111.7S664 L665 A669 W717 Y773S664-L667 PolarHBondContact O-N 2.71Å; S664-L667 VanDerWaalsContact OG-CD1 3.26Å; S664-L667 WeakPolarHBondContact OG-CD1 3.27Å; S664-L667 WeakPolarHBondContact OG-CG 3.44Å; L665-L667 PolarHBondContact O-N 2.76Å; L667-A669 HydrophobicContact CB-CB 4.24Å; L667-A669 PolarHBondContact O-N 2.96Å; L667-W717 HydrophobicContact CD2-CH2 4.36Å; L667-W717 HydrophobicContact CD2-CZ2 3.56Å; L667-Y773 HydrophobicContact CD1-CD1 3.75Å; L667-Y773 HydrophobicContact CD1-CE1 3.62Å; L667-Y773 HydrophobicContact CD1-CE2 4.45Å; L667-Y773 HydrophobicContact CD1-CG 4.22Å; L667-Y773 HydrophobicContact CD2-CD1 4.24Å; L667-Y773 HydrophobicContact CD2-CE1 4.33Å; L667-Y773 HydrophobicContact CG-CE1 4.46Å
668G96Very high95.9Very high0 Ų022.8 Ų22.80%013%0.128CC..THydrogen-bonded Turntrans65.520.3-176.900000114.6S664 L665 G709S664-G668 PolarHBondContact O-N 2.74Å; S664-G668 VanDerWaalsContact O-N 3.13Å; L665-G668 PolarHBondContact O-N 3.33Å; G668-G709 WeakPolarHBondContact O-CA 3.3Å; G668-G709 PolarHBondContact O-N 2.86Å
669A97.4Very high96Very high0 Ų018.9 Ų18.90%010%0.103CC..EExtended strand (participates in β ladder)trans-122.1137.4-162.400000113.6A653 A663 S664 L667 N710 A713A653-A669 HydrophobicContact CB-CB 4.15Å; A663-A669 CarbonylContact C-O 3.55Å; A663-A669 WeakPolarHBondContact CA-O 3.46Å; S664-A669 PolarHBondContact N-O 2.77Å; L667-A669 HydrophobicContact CB-CB 4.24Å; L667-A669 PolarHBondContact O-N 2.96Å; A669-N710 WeakPolarHBondContact CA-OD1 3.44Å; A669-N710 WeakPolarHBondContact CB-OD1 3.38Å; A669-A713 HydrophobicContact CB-CB 4.12Å
670M97.8Very high96.3Very high1 Ų118.6 Ų18.61%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-93.8131.1176.4-67.3-58.2-5800111.5I643 N649 A653 P660 W662 A663 L692 M705 N710I643-M670 HydrophobicContact CG2-CG 4.27Å; I643-M670 HydrophobicContact CG2-SD 3.64Å; N649-M670 HydrophobicContact CB-CB 4.29Å; N649-M670 HydrophobicContact CB-CG 3.82Å; N649-M670 VanDerWaalsContact CG-CG 3.4Å; A653-M670 WeakPolarHBondContact CB-O 3.45Å; A653-M670 PolarHBondContact N-O 2.92Å; P660-M670 HydrophobicContact CB-CB 4.1Å; P660-M670 HydrophobicContact CG-CB 3.73Å; P660-M670 WeakPolarHBondContact O-CE 3.31Å; W662-M670 CarbonylContact O-C 3.59Å; W662-M670 WeakPolarHBondContact O-CA 3.35Å; W662-M670 VanDerWaalsContact O-CE 3.23Å; W662-M670 WeakPolarHBondContact O-CE 3.35Å; A663-M670 HydrophobicContact CB-CE 4.36Å; A663-M670 HydrophobicContact CB-SD 3.57Å; A663-M670 VanDerWaalsContact CB-SD 3.57Å; M670-L692 HydrophobicContact CE-CD1 3.51Å; M670-L692 HydrophobicContact CE-CD2 4.13Å; M670-L692 HydrophobicContact CE-CG 3.76Å; M670-L692 HydrophobicContact SD-CD2 4.49Å; M670-M705 HydrophobicContact CG-CE 3.92Å; M670-M705 HydrophobicContact SD-CE 3.53Å; M670-M705 VanDerWaalsContact SD-CE 3.53Å; M670-N710 PolarHBondContact N-OD1 3.47Å; M670-N710 PolarHBondContact O-ND2 2.81Å; M670-N710 PolarHBondContact O-OD1 3.46Å
671V97.9Very high96.2Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-134.8152.3-173.8-64.30000111.7A653 D654 P660 W662 C675 I689A653-V671 HydrophobicContact CB-CG1 4.04Å; D654-V671 WeakPolarHBondContact OD2-CG1 3.36Å; P660-V671 VanDerWaalsContact CB-C 3.41Å; P660-V671 WeakPolarHBondContact CB-O 3.18Å; W662-V671 HydrophobicContact CB-CG2 4.04Å; W662-V671 WeakPolarHBondContact CB-O 3.42Å; W662-V671 PolarHBondContact N-O 3.22Å; W662-V671 VanDerWaalsContact N-O 3.17Å; W662-V671 PolarHBondContact O-N 2.82Å; V671-C675 HydrophobicContact CB-CB 4.15Å; V671-I689 HydrophobicContact CG2-CD1 4.09Å
672C97.2Very high96.1Very high16 Ų1618.6 Ų18.611%0.1089%0.094CC..  trans-78.4168.1175.7760000111.7C652 C655 A657 S674 C675 S676C652-C672 HydrophobicContact CB-CB 4.02Å; C652-C672 PolarHBondContact SG-N 3.05Å; C655-C672 VanDerWaalsContact SG-SG 3.65Å; A657-C672 HydrophobicContact CB-CB 3.93Å; C672-S674 VanDerWaalsContact C-N 3.27Å; C672-S674 PolarHBondContact O-N 3.46Å; C672-S674 PolarHBondContact SG-OG 3.35Å; C672-C675 PolarHBondContact O-N 2.89Å; C672-S676 WeakPolarHBondContact O-CB 3.44Å; C672-S676 PolarHBondContact O-N 2.86Å
673I95Very high95.8Very high87 Ų8718.7 Ų18.745%0.44610%0.102SC..Hα-helixtrans-57.7-33.5-178.3-170.4164.5000114.1E575 S676 G677E575-I673 WeakPolarHBondContact OE1-CD1 3.23Å; I673-S676 PolarHBondContact O-OG 2.77Å; I673-G677 PolarHBondContact O-N 3.3Å; I673-G677 VanDerWaalsContact O-N 3.14Å
674S95.4Very high95.6Very high38 Ų3823.8 Ų23.827%0.26613%0.133SC..Hα-helixtrans-69.1-43.6178.174.20000112.1C672 G677C672-S674 VanDerWaalsContact C-N 3.27Å; C672-S674 PolarHBondContact O-N 3.46Å; C672-S674 PolarHBondContact SG-OG 3.35Å; S674-G677 PolarHBondContact O-N 2.87Å
675C97.5Very high95.1Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-71.7-39.8177-60.20000111.9C655 V671 C672 G677 I678 H679 I769C655-C675 VanDerWaalsContact SG-SG 3.67Å; V671-C675 HydrophobicContact CB-CB 4.15Å; C672-C675 PolarHBondContact O-N 2.89Å; C675-G677 PolarHBondContact O-N 2.82Å; C675-I678 WeakPolarHBondContact O-CA 3.2Å; C675-I678 WeakPolarHBondContact O-CB 3.37Å; C675-I678 PolarHBondContact O-N 3.14Å; C675-H679 PolarHBondContact O-CD2 3.31Å; C675-H679 VanDerWaalsContact O-CD2 3.31Å; C675-H679 PolarHBondContact O-N 3.11Å; C675-I769 HydrophobicContact CB-CD1 3.73Å
676S96.9Very high95Very high3 Ų331.3 Ų31.32%0.02117%0.168CC..Hα-helixtrans-61.4-34.9176.486.50000111.8C672 I673 I678 H679 R680C672-S676 WeakPolarHBondContact O-CB 3.44Å; C672-S676 PolarHBondContact O-N 2.86Å; I673-S676 PolarHBondContact O-OG 2.77Å; S676-I678 PolarHBondContact O-N 3.21Å; S676-H679 PolarHBondContact O-N 2.9Å; S676-R680 VanDerWaalsContact O-CG 3.31Å; S676-R680 WeakPolarHBondContact O-CG 3.23Å; S676-R680 PolarHBondContact O-N 2.76Å; S676-R680 VanDerWaalsContact O-N 3.11Å
677G94.2Very high95Very high19 Ų1931.3 Ų31.320%0.19617%0.168CC..Hα-helixtrans-67.6-13.1171.300000115.4I673 S674 C675 Q681 R762I673-G677 PolarHBondContact O-N 3.3Å; I673-G677 VanDerWaalsContact O-N 3.14Å; S674-G677 PolarHBondContact O-N 2.87Å; C675-G677 PolarHBondContact O-N 2.82Å; G677-Q681 PolarHBondContact O-NE2 3.42Å; G677-R762 PolarHBondContact O-NH2 2.84Å
678I96.6Very high95Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-96.8-43.7171.7-62.7163.6000109.7C675 S676 R680 Q681 L682 R762 K765 E766 I769C675-I678 WeakPolarHBondContact O-CA 3.2Å; C675-I678 WeakPolarHBondContact O-CB 3.37Å; C675-I678 PolarHBondContact O-N 3.14Å; S676-I678 PolarHBondContact O-N 3.21Å; I678-R680 PolarHBondContact O-N 2.84Å; I678-Q681 WeakPolarHBondContact O-CA 3.33Å; I678-Q681 WeakPolarHBondContact O-CB 3.48Å; I678-Q681 PolarHBondContact O-N 2.91Å; I678-L682 PolarHBondContact O-N 2.9Å; I678-R762 HydrophobicContact CD1-CG 4.15Å; I678-R762 HydrophobicContact CG1-CG 4.42Å; I678-K765 HydrophobicContact CD1-CB 3.71Å; I678-E766 HydrophobicContact CD1-CB 4.16Å; I678-E766 HydrophobicContact CG1-CB 4.49Å; I678-E766 HydrophobicContact CG2-CB 4.06Å; I678-E766 HydrophobicContact CG2-CG 3.96Å; I678-I769 HydrophobicContact CB-CD1 4.1Å; I678-I769 HydrophobicContact CB-CG2 4.46Å; I678-I769 HydrophobicContact CD1-CD1 3.93Å; I678-I769 HydrophobicContact CG2-CB 4.06Å; I678-I769 HydrophobicContact CG2-CD1 4.16Å; I678-I769 HydrophobicContact CG2-CG2 3.68Å
679H97.5Very high95Very high0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-53.2-39.5175-86.6-116.3000113D654 C675 S676 Q681 L682 S687 I689 Y773D654-H679 IonicContact OD2-NE2 2.99Å; D654-H679 PolarHBondContact OD2-NE2 3.49Å; C675-H679 PolarHBondContact O-CD2 3.31Å; C675-H679 VanDerWaalsContact O-CD2 3.31Å; C675-H679 PolarHBondContact O-N 3.11Å; S676-H679 PolarHBondContact O-N 2.9Å; H679-Q681 PolarHBondContact O-N 2.68Å; H679-Q681 VanDerWaalsContact O-N 3.14Å; H679-L682 WeakPolarHBondContact O-CB 3.37Å; H679-L682 PolarHBondContact O-N 3.32Å; H679-L682 VanDerWaalsContact O-N 3.09Å; H679-S687 WeakPolarHBondContact ND1-CB 3.34Å; H679-S687 PolarHBondContact ND1-OG 3.39Å; H679-I689 HydrophobicContact CB-CD1 3.59Å; H679-I689 HydrophobicContact CB-CG1 3.62Å; H679-Y773 AromaticContact CE1-CD2 3.58Å; H679-Y773 AromaticContact CE1-CE2 3.28Å; H679-Y773 WeakPolarHBondContact CE1-CE2 3.41Å; H679-Y773 AromaticContact CE1-CZ 3.97Å; H679-Y773 AromaticContact NE2-CD2 3.7Å; H679-Y773 AromaticContact NE2-CE2 3.38Å; H679-Y773 WeakPolarHBondContact NE2-CE2 3.37Å
680R95.9Very high94.9Very high130 Ų13038.8 Ų38.849%0.49120%0.197SC..Hα-helixtrans-56.5-26173-73.9171.5-176.6-79.72.7113.8S676 I678 I689S676-R680 VanDerWaalsContact O-CG 3.31Å; S676-R680 WeakPolarHBondContact O-CG 3.23Å; S676-R680 PolarHBondContact O-N 2.76Å; S676-R680 VanDerWaalsContact O-N 3.11Å; I678-R680 PolarHBondContact O-N 2.84Å; R680-I689 HydrophobicContact CG-CB 4.19Å; R680-I689 HydrophobicContact CG-CG1 4.24Å; R680-I689 HydrophobicContact CG-CG2 4.41Å
681Q93.4Very high94.8Very high51 Ų5138.9 Ų38.924%0.23820%0.198CC..Hα-helixtrans-91.2-12.7-179.6-54.8-179.310.700113.4F456 G677 I678 H679 G683F456-Q681 HydrophobicContact CD1-CG 4.47Å; G677-Q681 PolarHBondContact O-NE2 3.42Å; I678-Q681 WeakPolarHBondContact O-CA 3.33Å; I678-Q681 WeakPolarHBondContact O-CB 3.48Å; I678-Q681 PolarHBondContact O-N 2.91Å; H679-Q681 PolarHBondContact O-N 2.68Å; H679-Q681 VanDerWaalsContact O-N 3.14Å; Q681-G683 VanDerWaalsContact C-N 3.29Å
682L93Very high94.4Very high10 Ų1039 Ų395%0.05220%0.198CC..Hα-helixtrans-71.7-29.8166-51.6-178.2000110.9I678 H679 H685 I686 I769 R770 Q774I678-L682 PolarHBondContact O-N 2.9Å; H679-L682 WeakPolarHBondContact O-CB 3.37Å; H679-L682 PolarHBondContact O-N 3.32Å; H679-L682 VanDerWaalsContact O-N 3.09Å; L682-H685 PolarHBondContact O-CE1 2.87Å; L682-H685 VanDerWaalsContact O-CE1 3.31Å; L682-I686 HydrophobicContact CB-CB 4Å; L682-I686 HydrophobicContact CB-CD1 4.18Å; L682-I686 HydrophobicContact CB-CG2 4.07Å; L682-I686 HydrophobicContact CD1-CG2 3.88Å; L682-I769 HydrophobicContact CD1-CG2 3.86Å; L682-I769 HydrophobicContact CD2-CG2 4.47Å; L682-I769 HydrophobicContact CG-CG2 4.45Å; L682-R770 HydrophobicContact CD2-CG 3.89Å; L682-Q774 HydrophobicContact CD2-CB 4.38Å
683G90Very high93.9Very high22 Ų2241.2 Ų41.223%0.22721%0.207CC..  trans92.8160179.800000113.6Q681 H685 I686 S687Q681-G683 VanDerWaalsContact C-N 3.29Å; G683-H685 PolarHBondContact O-N 3.31Å; G683-I686 PolarHBondContact O-N 3.19Å; G683-S687 PolarHBondContact O-N 2.78Å
684T92.1Very high93.5Very high106 Ų10639.4 Ų39.465%0.6520%0.198SC*.THydrogen-bonded Turntrans-66-12.2-169.749.20000115.6S687 R688T684-S687 WeakPolarHBondContact CA-O 3.44Å; T684-R688 WeakPolarHBondContact O-CG 3.32Å
685H87.7Confident93.3Very high141 Ų14139.8 Ų39.865%0.65320%0.197SC*.THydrogen-bonded Turntrans-83-17.4173.668-72.9000112.9L682 G683L682-H685 PolarHBondContact O-CE1 2.87Å; L682-H685 VanDerWaalsContact O-CE1 3.31Å; G683-H685 PolarHBondContact O-N 3.31Å
686I92.4Very high92.7Very high28 Ų2848 Ų4814%0.14424%0.235CC..THydrogen-bonded Turntrans-105.9-45.8173.4-60.5173.2000110.2N666 L682 G683 Q774N666-I686 PolarHBondContact ND2-O 3.26Å; L682-I686 HydrophobicContact CB-CB 4Å; L682-I686 HydrophobicContact CB-CD1 4.18Å; L682-I686 HydrophobicContact CB-CG2 4.07Å; L682-I686 HydrophobicContact CD1-CG2 3.88Å; G683-I686 PolarHBondContact O-N 3.19Å; I686-Q774 HydrophobicContact CD1-CB 4.19Å; I686-Q774 HydrophobicContact CD1-CG 4.02Å
687S95.6Very high92.3Very high3 Ų349.7 Ų49.72%0.02124%0.241CC..  trans-141.9125.3-177.3-178.60000113.3S664 N666 H679 G683 T684S664-S687 WeakPolarHBondContact CB-OG 3.21Å; S664-S687 PolarHBondContact OG-OG 3.32Å; N666-S687 WeakPolarHBondContact OD1-CA 3.49Å; H679-S687 WeakPolarHBondContact ND1-CB 3.34Å; H679-S687 PolarHBondContact ND1-OG 3.39Å; G683-S687 PolarHBondContact O-N 2.78Å; T684-S687 WeakPolarHBondContact CA-O 3.44Å
688R95.1Very high92Very high58 Ų5850.9 Ų50.922%0.21925%0.247CC..  trans-102.590.7175.9-65.6-177.7176.688.6-12.9110.2L665 N666 T684 W847L665-R688 HydrophobicContact CB-CB 4.34Å; L665-R688 PolarHBondContact N-O 2.59Å; N666-R688 PolarHBondContact OD1-N 3.19Å; T684-R688 WeakPolarHBondContact O-CG 3.32Å; R688-W847 PolarHBondContact NH1-O 2.94Å; R688-W847 PolarHBondContact NH2-O 3.24Å
689I96.9Very high91.6Very high9 Ų954.9 Ų54.95%0.04627%0.271CS..EExtended strand (participates in β ladder)trans-75.9138.3-177.5-66.6-64.5000113W662 A663 V671 H679 R680W662-I689 HydrophobicContact CE3-CG2 3.7Å; W662-I689 HydrophobicContact CZ3-CG2 4.34Å; A663-I689 CarbonylContact O-C 3.6Å; A663-I689 VanDerWaalsContact O-CA 3.27Å; A663-I689 WeakPolarHBondContact O-CA 2.91Å; V671-I689 HydrophobicContact CG2-CD1 4.09Å; H679-I689 HydrophobicContact CB-CD1 3.59Å; H679-I689 HydrophobicContact CB-CG1 3.62Å; R680-I689 HydrophobicContact CG-CB 4.19Å; R680-I689 HydrophobicContact CG-CG1 4.24Å; R680-I689 HydrophobicContact CG-CG2 4.41Å
690R95Very high91.3Very high92 Ų9255.9 Ų55.935%0.34728%0.276SS..EExtended strand (participates in β ladder)trans-134.7156166.7-70.2-66.8179-92.38.6110.8W662 A663 L665 D695 W697W662-R690 CarbonylContact C-O 3.32Å; W662-R690 VanDerWaalsContact CA-O 3.32Å; W662-R690 WeakPolarHBondContact CA-O 3.36Å; A663-R690 PolarHBondContact N-O 3.49Å; A663-R690 PolarHBondContact O-N 2.72Å; L665-R690 HydrophobicContact CD1-CG 3.74Å; L665-R690 HydrophobicContact CD2-CB 4.45Å; L665-R690 HydrophobicContact CD2-CG 4.14Å; L665-R690 HydrophobicContact CG-CG 3.92Å; R690-D695 VanDerWaalsContact CA-OD2 3.29Å; R690-D695 WeakPolarHBondContact CA-OD2 3.32Å; R690-D695 HydrophobicContact CB-CB 4.41Å; R690-W697 HydrophobicContact CB-CH2 4.32Å; R690-W697 HydrophobicContact CB-CZ2 3.83Å
691S94.4Very high91.1Very high4 Ų450.4 Ų50.43%0.02826%0.258CS..EExtended strand (participates in β ladder)trans-94143.6163.6178.70000110.1D661 W662 H693 L694 D695 W697D661-S691 WeakPolarHBondContact O-CA 3.13Å; D661-S691 PolarHBondContact O-OG 3.27Å; W662-S691 VanDerWaalsContact CZ3-CB 3.49Å; S691-H693 PolarHBondContact O-N 3.48Å; S691-H693 PolarHBondContact OG-N 3.13Å; S691-L694 PolarHBondContact OG-N 2.96Å; S691-D695 PolarHBondContact N-OD2 2.84Å; S691-W697 PolarHBondContact O-NE1 3.04Å
692L90.7Very high91.1Very high2 Ų248.3 Ų48.31%0.0125%0.248CC..THydrogen-bonded Turntrans-58.3-35.1166.6-69.3176000112I640 I643 R644 D661 M670 W697I640-L692 VanDerWaalsContact CD1-O 3.24Å; I640-L692 WeakPolarHBondContact CD1-O 3.38Å; I640-L692 HydrophobicContact CG1-CB 4.39Å; I640-L692 HydrophobicContact CG1-CD2 4.48Å; I640-L692 HydrophobicContact CG2-CB 4.31Å; I640-L692 HydrophobicContact CG2-CD1 4.16Å; I640-L692 HydrophobicContact CG2-CD2 4.41Å; I643-L692 HydrophobicContact CB-CD2 4.22Å; I643-L692 HydrophobicContact CD1-CD2 3.76Å; I643-L692 HydrophobicContact CG2-CD2 4.01Å; R644-L692 HydrophobicContact CG-CD1 4.32Å; D661-L692 PolarHBondContact O-N 3.43Å; M670-L692 HydrophobicContact CE-CD1 3.51Å; M670-L692 HydrophobicContact CE-CD2 4.13Å; M670-L692 HydrophobicContact CE-CG 3.76Å; M670-L692 HydrophobicContact SD-CD2 4.49Å; L692-W697 HydrophobicContact CD2-CH2 4.42Å; L692-W697 HydrophobicContact CD2-CZ2 3.91Å
693H86.8Confident91.1Very high63 Ų6350.1 Ų50.129%0.29226%0.261SS..THydrogen-bonded Turntrans-110.9-11.3-167.6-61.6-57.6000114.8K578 R644 D661 S691K578-H693 PolarHBondContact NZ-O 2.96Å; R644-H693 PolarHBondContact NH2-NE2 2.86Å; D661-H693 IonicContact OD1-NE2 3.14Å; D661-H693 IonicContact OD2-CD2 2.78Å; S691-H693 PolarHBondContact O-N 3.48Å; S691-H693 PolarHBondContact OG-N 3.13Å
694L86.6Confident91.3Very high48 Ų4849 Ų4925%0.25125%0.251SS..THydrogen-bonded Turntrans-115.9-12.8-175.1-55.2175.8000114.8N574 K578 W662 S691N574-L694 HydrophobicContact CB-CD2 4.25Å; K578-L694 HydrophobicContact CD-CD2 4.34Å; W662-L694 HydrophobicContact CH2-CD1 3.94Å; W662-L694 HydrophobicContact CZ2-CD1 4.09Å; S691-L694 PolarHBondContact OG-N 2.96Å
695D90.3Very high91.5Very high46 Ų4644 Ų4425%0.24622%0.22CC..SBendtrans-120.1159.8180-64.2-60000111.1R690 S691 W697R690-D695 VanDerWaalsContact CA-OD2 3.29Å; R690-D695 WeakPolarHBondContact CA-OD2 3.32Å; R690-D695 HydrophobicContact CB-CB 4.41Å; S691-D695 PolarHBondContact N-OD2 2.84Å; D695-W697 VanDerWaalsContact O-CD1 3.29Å
696E86.5Confident91.8Very high174 Ų17439.1 Ų39.181%0.81320%0.201SC*.  trans-78.3145.6173.2-70.4152.7-135.900111.5
697W88.5Confident91.8Very high37 Ų3740.1 Ų40.114%0.1421%0.214CC..  trans-121.9119.2-174.5-78.586.2000112I643 A663 L665 R690 S691 L692 D695 V702 M705I643-W697 HydrophobicContact CD1-CD2 4.09Å; I643-W697 HydrophobicContact CD1-CE3 3.64Å; I643-W697 HydrophobicContact CD1-CH2 3.85Å; I643-W697 HydrophobicContact CD1-CZ2 4.31Å; I643-W697 HydrophobicContact CD1-CZ3 3.51Å; A663-W697 HydrophobicContact CB-CH2 3.59Å; A663-W697 HydrophobicContact CB-CZ2 4.02Å; L665-W697 HydrophobicContact CD2-CE3 4.34Å; L665-W697 HydrophobicContact CD2-CH2 3.56Å; L665-W697 HydrophobicContact CD2-CZ3 3.43Å; L665-W697 VanDerWaalsContact CD2-CZ3 3.43Å; R690-W697 HydrophobicContact CB-CH2 4.32Å; R690-W697 HydrophobicContact CB-CZ2 3.83Å; S691-W697 PolarHBondContact O-NE1 3.04Å; L692-W697 HydrophobicContact CD2-CH2 4.42Å; L692-W697 HydrophobicContact CD2-CZ2 3.91Å; D695-W697 VanDerWaalsContact O-CD1 3.29Å; W697-V702 HydrophobicContact CB-CG2 4.18Å; W697-V702 HydrophobicContact CE3-CG2 4.09Å; W697-M705 HydrophobicContact CH2-CG 4.1Å; W697-M705 HydrophobicContact CZ3-CG 3.77Å
698S88Confident91.9Very high45 Ų4540.4 Ų40.432%0.31522%0.215SC..  trans-81.5152173.593.10000111.2E700 S701 V702S698-E700 WeakPolarHBondContact CB-OE2 3.47Å; S698-E700 PolarHBondContact O-N 3.36Å; S698-E700 PolarHBondContact OG-OE2 3.21Å; S698-S701 WeakPolarHBondContact O-CB 3.39Å; S698-S701 PolarHBondContact O-N 3.2Å; S698-S701 VanDerWaalsContact O-N 3.07Å; S698-S701 WeakPolarHBondContact OG-CB 3.41Å; S698-S701 PolarHBondContact OG-N 3.09Å; S698-S701 VanDerWaalsContact OG-N 3.12Å; S698-S701 PolarHBondContact OG-OG 3.33Å; S698-V702 WeakPolarHBondContact O-CG2 3.33Å; S698-V702 PolarHBondContact O-N 3.36Å
699T87.5Confident91.9Very high84 Ų8437.7 Ų37.752%0.51521%0.205SC..Hα-helixtrans-61.6-32.3-179.850.30000112.2S703T699-S703 WeakPolarHBondContact O-CB 3.4Å; T699-S703 PolarHBondContact O-N 3.25Å; T699-S703 PolarHBondContact O-OG 2.73Å
700E90.2Very high91.9Very high21 Ų2137.4 Ų37.410%0.09820%0.204CC..Hα-helixtrans-72.3-36.9176.4-43.192.7159.200110.9S698 S703 V704 L839 Q843 F877 R880S698-E700 WeakPolarHBondContact CB-OE2 3.47Å; S698-E700 PolarHBondContact O-N 3.36Å; S698-E700 PolarHBondContact OG-OE2 3.21Å; E700-S703 WeakPolarHBondContact O-CB 3.44Å; E700-S703 PolarHBondContact O-N 2.96Å; E700-V704 WeakPolarHBondContact O-CG2 3.34Å; E700-V704 PolarHBondContact O-N 3.04Å; E700-V704 VanDerWaalsContact O-N 3.1Å; E700-L839 HydrophobicContact CB-CD2 4.48Å; E700-L839 HydrophobicContact CB-CG 4.46Å; E700-L839 HydrophobicContact CG-CD1 4.17Å; E700-L839 HydrophobicContact CG-CD2 4.01Å; E700-L839 HydrophobicContact CG-CG 4.27Å; E700-Q843 HydrophobicContact CB-CG 4.34Å; E700-F877 HydrophobicContact CB-CD2 4.45Å; E700-F877 HydrophobicContact CB-CE2 3.96Å; E700-F877 HydrophobicContact CG-CD2 3.63Å; E700-F877 HydrophobicContact CG-CE2 3.62Å; E700-R880 IonicContact OE1-NH1 3.24Å; E700-R880 PolarHBondContact OE1-NH1 3.04Å; E700-R880 VanDerWaalsContact OE1-NH1 3.14Å
701S92.3Very high92Very high15 Ų1537.1 Ų37.111%0.10521%0.212CC..Hα-helixtrans-66.9-42.3174.5-57.80000112.1S698 S703 V704 M705S698-S701 WeakPolarHBondContact O-CB 3.39Å; S698-S701 PolarHBondContact O-N 3.2Å; S698-S701 VanDerWaalsContact O-N 3.07Å; S698-S701 WeakPolarHBondContact OG-CB 3.41Å; S698-S701 PolarHBondContact OG-N 3.09Å; S698-S701 VanDerWaalsContact OG-N 3.12Å; S698-S701 PolarHBondContact OG-OG 3.33Å; S701-S703 VanDerWaalsContact C-N 3.35Å; S701-V704 PolarHBondContact O-N 3.18Å; S701-M705 WeakPolarHBondContact O-CG 3.32Å; S701-M705 PolarHBondContact O-N 3.19Å
702V92.8Very high92.1Very high7 Ų739.1 Ų39.14%0.04222%0.222CC..Hα-helixtrans-61.3-45172.4175.20000110.1L639 I643 W697 S698 V704 M705 S706L639-V702 HydrophobicContact CB-CG1 4.43Å; L639-V702 HydrophobicContact CB-CG2 4.05Å; L639-V702 HydrophobicContact CD2-CB 4.43Å; L639-V702 HydrophobicContact CD2-CG1 4Å; L639-V702 HydrophobicContact CD2-CG2 4.2Å; L639-V702 HydrophobicContact CG-CG2 4.5Å; I643-V702 HydrophobicContact CD1-CG2 4.18Å; I643-V702 HydrophobicContact CG1-CG1 4.11Å; W697-V702 HydrophobicContact CB-CG2 4.18Å; W697-V702 HydrophobicContact CE3-CG2 4.09Å; S698-V702 WeakPolarHBondContact O-CG2 3.33Å; S698-V702 PolarHBondContact O-N 3.36Å; V702-V704 VanDerWaalsContact C-N 3.34Å; V702-V704 PolarHBondContact O-N 2.79Å; V702-M705 PolarHBondContact O-N 3.16Å; V702-M705 VanDerWaalsContact O-N 3.12Å; V702-S706 PolarHBondContact O-N 3.22Å; V702-S706 PolarHBondContact O-OG 2.75Å
703S93Very high92.4Very high47 Ų4739 Ų3933%0.32922%0.222SC..Hα-helixtrans-58-42.2179.8-60.80000112.6T699 E700 S701 A707T699-S703 WeakPolarHBondContact O-CB 3.4Å; T699-S703 PolarHBondContact O-N 3.25Å; T699-S703 PolarHBondContact O-OG 2.73Å; E700-S703 WeakPolarHBondContact O-CB 3.44Å; E700-S703 PolarHBondContact O-N 2.96Å; S701-S703 VanDerWaalsContact C-N 3.35Å; S703-A707 WeakPolarHBondContact O-CB 3.45Å; S703-A707 PolarHBondContact O-N 3.46Å; S703-A707 VanDerWaalsContact O-N 3.07Å
704V95.4Very high92.8Very high0 Ų037.2 Ų37.20%021%0.214CC..Hα-helixtrans-66.2-43175.61790000111.5E700 S701 V702 A707 I708 V840 Q843 L844 W847E700-V704 WeakPolarHBondContact O-CG2 3.34Å; E700-V704 PolarHBondContact O-N 3.04Å; E700-V704 VanDerWaalsContact O-N 3.1Å; S701-V704 PolarHBondContact O-N 3.18Å; V702-V704 VanDerWaalsContact C-N 3.34Å; V702-V704 PolarHBondContact O-N 2.79Å; V704-A707 PolarHBondContact O-N 3.05Å; V704-I708 HydrophobicContact CG1-CD1 3.78Å; V704-I708 WeakPolarHBondContact O-CG1 3.35Å; V704-I708 PolarHBondContact O-N 3.34Å; V704-V840 HydrophobicContact CB-CG1 4.5Å; V704-V840 HydrophobicContact CG2-CB 4.45Å; V704-V840 HydrophobicContact CG2-CG1 4.12Å; V704-Q843 HydrophobicContact CG2-CB 3.86Å; V704-Q843 HydrophobicContact CG2-CG 3.77Å; V704-L844 HydrophobicContact CG1-CD2 3.82Å; V704-L844 HydrophobicContact CG1-CG 4.09Å; V704-L844 HydrophobicContact CG2-CG 4.45Å; V704-W847 HydrophobicContact CB-CH2 4.42Å; V704-W847 HydrophobicContact CB-CZ3 4.05Å; V704-W847 HydrophobicContact CG1-CZ3 3.94Å; V704-W847 HydrophobicContact CG2-CH2 4.29Å; V704-W847 HydrophobicContact CG2-CZ3 3.96Å
705M95.8Very high93.2Very high0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-66-40.7-179.6-71.9-58-52.600112.8I643 A663 L665 M670 W697 S701 V702 G709I643-M705 HydrophobicContact CD1-CB 4.29Å; I643-M705 HydrophobicContact CG1-CB 3.93Å; I643-M705 HydrophobicContact CG2-CB 4.02Å; I643-M705 HydrophobicContact CG2-CE 4.28Å; A663-M705 HydrophobicContact CB-CE 3.9Å; A663-M705 HydrophobicContact CB-SD 4.19Å; L665-M705 HydrophobicContact CD2-CG 4.35Å; M670-M705 HydrophobicContact CG-CE 3.92Å; M670-M705 HydrophobicContact SD-CE 3.53Å; M670-M705 VanDerWaalsContact SD-CE 3.53Å; W697-M705 HydrophobicContact CH2-CG 4.1Å; W697-M705 HydrophobicContact CZ3-CG 3.77Å; S701-M705 WeakPolarHBondContact O-CG 3.32Å; S701-M705 PolarHBondContact O-N 3.19Å; V702-M705 PolarHBondContact O-N 3.16Å; V702-M705 VanDerWaalsContact O-N 3.12Å; M705-G709 PolarHBondContact O-N 2.89Å
706S93.3Very high93.4Very high38 Ų3834.7 Ų34.727%0.26620%0.204SC..Hα-helixtrans-72.7-27176.4-64.70000113.4S642 V702S642-S706 VanDerWaalsContact C-OG 3.25Å; S642-S706 PolarHBondContact O-OG 3.13Å; S642-S706 PolarHBondContact OG-OG 3.25Å; V702-S706 PolarHBondContact O-N 3.22Å; V702-S706 PolarHBondContact O-OG 2.75Å
707A94.1Very high93.9Very high49 Ų4926.8 Ų26.841%0.40517%0.167SC..Hα-helixtrans-84.5-12.4-179.700000114.8S703 V704 V840S703-A707 WeakPolarHBondContact O-CB 3.45Å; S703-A707 PolarHBondContact O-N 3.46Å; S703-A707 VanDerWaalsContact O-N 3.07Å; V704-A707 PolarHBondContact O-N 3.05Å; A707-V840 HydrophobicContact CB-CG1 4.08Å; A707-V840 HydrophobicContact CB-CG2 3.93Å
708I95.8Very high94.1Very high10 Ų1026.7 Ų26.75%0.05117%0.168CC..Hα-helixtrans-111.5-75.5-179.8-59.3176.5000110.2V704 L712 A713 T802 I806 L844V704-I708 HydrophobicContact CG1-CD1 3.78Å; V704-I708 WeakPolarHBondContact O-CG1 3.35Å; V704-I708 PolarHBondContact O-N 3.34Å; I708-L712 HydrophobicContact CG2-CB 4.23Å; I708-L712 HydrophobicContact CG2-CD2 4.37Å; I708-L712 WeakPolarHBondContact O-CB 3.38Å; I708-A713 HydrophobicContact CG2-CB 4.06Å; I708-T802 HydrophobicContact CG1-CG2 4.36Å; I708-I806 HydrophobicContact CD1-CD1 3.99Å; I708-I806 HydrophobicContact CD1-CG1 4.33Å; I708-I806 HydrophobicContact CG1-CD1 4.07Å; I708-I806 HydrophobicContact CG2-CD1 3.78Å; I708-L844 HydrophobicContact CD1-CD1 4.3Å; I708-L844 HydrophobicContact CD1-CD2 4.38Å
709G95.8Very high94.2Very high0 Ų027 Ų270%017%0.173CC..Hα-helixtrans67.5162.1-172.900000114.5N649 G668 M705 T711 L712 A713N649-G709 WeakPolarHBondContact OD1-CA 3.49Å; G668-G709 WeakPolarHBondContact O-CA 3.3Å; G668-G709 PolarHBondContact O-N 2.86Å; M705-G709 PolarHBondContact O-N 2.89Å; G709-T711 VanDerWaalsContact C-N 3.3Å; G709-T711 PolarHBondContact O-N 2.92Å; G709-L712 PolarHBondContact O-N 3.37Å; G709-A713 WeakPolarHBondContact O-CB 3.12Å; G709-A713 PolarHBondContact O-N 3.33Å
710N97.4Very high94.1Very high4 Ų425.6 Ų25.62%0.02117%0.17CC..Hα-helixtrans-61.5-33-173.5-77.4-12.9000114.4A647 G648 N649 F651 A653 A669 M670 N714A647-N710 PolarHBondContact O-N 3.42Å; G648-N710 WeakPolarHBondContact O-CB 3.46Å; G648-N710 PolarHBondContact O-ND2 3.02Å; N649-N710 PolarHBondContact OD1-N 3.47Å; F651-N710 PolarHBondContact O-ND2 3.42Å; A653-N710 WeakPolarHBondContact CB-OD1 3.34Å; A653-N710 PolarHBondContact N-ND2 3.09Å; A669-N710 WeakPolarHBondContact CA-OD1 3.44Å; A669-N710 WeakPolarHBondContact CB-OD1 3.38Å; M670-N710 PolarHBondContact N-OD1 3.47Å; M670-N710 PolarHBondContact O-ND2 2.81Å; M670-N710 PolarHBondContact O-OD1 3.46Å; N710-N714 VanDerWaalsContact O-CB 3.27Å; N710-N714 WeakPolarHBondContact O-CB 3.31Å; N710-N714 PolarHBondContact O-N 3.27Å
711T96.1Very high93.8Very high85 Ų8525.3 Ų25.352%0.52117%0.171SC..Hα-helixtrans-63.6-46.5176.8-64.80000111.2A647 G648 G709 S715A647-T711 WeakPolarHBondContact O-CB 3.48Å; A647-T711 PolarHBondContact O-N 2.94Å; A647-T711 PolarHBondContact O-OG1 3.02Å; G648-T711 PolarHBondContact N-OG1 3.21Å; G709-T711 VanDerWaalsContact C-N 3.3Å; G709-T711 PolarHBondContact O-N 2.92Å; T711-S715 WeakPolarHBondContact O-CB 3.32Å; T711-S715 PolarHBondContact O-N 3.2Å
712L96.5Very high92.6Very high46 Ų4626.9 Ų26.924%0.24118%0.181CC..Hα-helixtrans-71-42.8177.8-17065.5000111.1I708 G709 N714 S715 T802 R803 I806I708-L712 HydrophobicContact CG2-CB 4.23Å; I708-L712 HydrophobicContact CG2-CD2 4.37Å; I708-L712 WeakPolarHBondContact O-CB 3.38Å; G709-L712 PolarHBondContact O-N 3.37Å; L712-N714 PolarHBondContact O-N 2.87Å; L712-S715 WeakPolarHBondContact O-CB 3.43Å; L712-S715 PolarHBondContact O-N 3.28Å; L712-S715 PolarHBondContact O-OG 3.41Å; L712-T802 HydrophobicContact CD2-CG2 3.69Å; L712-R803 HydrophobicContact CD1-CB 4.1Å; L712-R803 HydrophobicContact CD1-CG 4.35Å; L712-I806 HydrophobicContact CD2-CD1 4.05Å; L712-I806 HydrophobicContact CG-CD1 4.22Å
713A96.9Very high91Very high0 Ų032.8 Ų32.80%022%0.217CC..Hα-helixtrans-58-50.7178.500000111.6A669 I708 G709 S715 V716 W717A669-A713 HydrophobicContact CB-CB 4.12Å; I708-A713 HydrophobicContact CG2-CB 4.06Å; G709-A713 WeakPolarHBondContact O-CB 3.12Å; G709-A713 PolarHBondContact O-N 3.33Å; A713-S715 VanDerWaalsContact C-N 3.31Å; A713-S715 PolarHBondContact O-N 3.27Å; A713-V716 PolarHBondContact O-N 2.92Å; A713-V716 VanDerWaalsContact O-N 3.11Å; A713-W717 WeakPolarHBondContact O-CB 3.21Å; A713-W717 VanDerWaalsContact O-CD1 3.26Å; A713-W717 PolarHBondContact O-N 3.32Å
714N96.1Very high88.8Confident26 Ų2635.5 Ų35.514%0.13923%0.228CC..Hα-helixtrans-70.4-25.6178.4-70.5-17.5000112.5A653 N710 L712 V716 E718 K755 K772A653-N714 PolarHBondContact O-ND2 3.15Å; N710-N714 VanDerWaalsContact O-CB 3.27Å; N710-N714 WeakPolarHBondContact O-CB 3.31Å; N710-N714 PolarHBondContact O-N 3.27Å; L712-N714 PolarHBondContact O-N 2.87Å; N714-V716 PolarHBondContact O-N 3.45Å; N714-E718 HydrophobicContact CB-CB 4.3Å; N714-E718 HydrophobicContact CB-CG 4Å; N714-E718 VanDerWaalsContact CG-CD 3.43Å; N714-E718 CarbonylContact O-C 3.56Å; N714-E718 WeakPolarHBondContact O-CA 3.48Å; N714-E718 WeakPolarHBondContact O-CB 3.45Å; N714-E718 PolarHBondContact O-N 3.36Å; N714-E718 PolarHBondContact OD1-OE1 3.5Å; N714-K755 PolarHBondContact ND2-NZ 3.06Å; N714-K772 PolarHBondContact OD1-NZ 3.31Å
715S95Very high85.9Confident41 Ų4137.4 Ų37.429%0.28724%0.244SC..Hα-helixtrans-61.9-11.5170.186.60000114.2T711 L712 A713 A719 R803T711-S715 WeakPolarHBondContact O-CB 3.32Å; T711-S715 PolarHBondContact O-N 3.2Å; L712-S715 WeakPolarHBondContact O-CB 3.43Å; L712-S715 PolarHBondContact O-N 3.28Å; L712-S715 PolarHBondContact O-OG 3.41Å; A713-S715 VanDerWaalsContact C-N 3.31Å; A713-S715 PolarHBondContact O-N 3.27Å; S715-A719 WeakPolarHBondContact O-CB 3.33Å; S715-R803 VanDerWaalsContact O-CZ 3.3Å; S715-R803 PolarHBondContact O-NE 3.23Å; S715-R803 PolarHBondContact O-NH2 3.46Å; S715-R803 PolarHBondContact OG-NE 3.01Å
716V95.2Very high82.7Confident0 Ų040.1 Ų40.10%027%0.271CS..Hα-helixtrans-111.4-56.6171.5-177.50000110.4A713 N714 E718 A719 L779 P780 R803 I806 L807A713-V716 PolarHBondContact O-N 2.92Å; A713-V716 VanDerWaalsContact O-N 3.11Å; N714-V716 PolarHBondContact O-N 3.45Å; V716-E718 PolarHBondContact O-N 3.12Å; V716-A719 PolarHBondContact O-N 2.97Å; V716-L779 HydrophobicContact CG1-CD2 3.84Å; V716-P780 WeakPolarHBondContact O-CD 3.47Å; V716-R803 HydrophobicContact CG2-CG 3.44Å; V716-R803 VanDerWaalsContact CG2-CG 3.44Å; V716-I806 HydrophobicContact CB-CG2 4.18Å; V716-I806 HydrophobicContact CG1-CG2 4.12Å; V716-I806 HydrophobicContact CG2-CB 4.35Å; V716-I806 HydrophobicContact CG2-CG2 4.2Å; V716-L807 HydrophobicContact CG1-CB 3.89Å; V716-L807 HydrophobicContact CG1-CD1 4.05Å
717W95.8Very high79.7Confident8 Ų840.8 Ų40.83%0.0327%0.272CS..Hα-helixtrans-73-8.2-174.1-69.3106.5000114.8L667 A713 K772 Y773 R776 F778 L779 A810L667-W717 HydrophobicContact CD2-CH2 4.36Å; L667-W717 HydrophobicContact CD2-CZ2 3.56Å; A713-W717 WeakPolarHBondContact O-CB 3.21Å; A713-W717 VanDerWaalsContact O-CD1 3.26Å; A713-W717 PolarHBondContact O-N 3.32Å; W717-K772 HydrophobicContact CB-CG 4.25Å; W717-K772 VanDerWaalsContact CE3-O 3.29Å; W717-K772 WeakPolarHBondContact CZ3-O 3.31Å; W717-K772 WeakPolarHBondContact O-CG 3.27Å; W717-Y773 HydrophobicContact CB-CE1 4Å; W717-Y773 AromaticContact CD2-CD1 3.62Å; W717-Y773 HydrophobicContact CD2-CD1 3.62Å; W717-Y773 AromaticContact CD2-CE1 3.57Å; W717-Y773 HydrophobicContact CD2-CE1 3.57Å; W717-Y773 AromaticContact CE2-CE1 4Å; W717-Y773 AromaticContact CE3-CD1 3.52Å; W717-Y773 HydrophobicContact CE3-CD1 3.52Å; W717-Y773 AromaticContact CE3-CE1 3.93Å; W717-Y773 HydrophobicContact CE3-CE1 3.93Å; W717-Y773 HydrophobicContact CG-CD1 4.16Å; W717-Y773 AromaticContact CG-CE1 3.61Å; W717-Y773 HydrophobicContact CG-CE1 3.61Å; W717-Y773 HydrophobicContact CH2-CD1 4.19Å; W717-Y773 HydrophobicContact CZ2-CD1 4.29Å; W717-Y773 AromaticContact CZ3-CD1 3.82Å; W717-Y773 HydrophobicContact CZ3-CD1 3.82Å; W717-R776 HydrophobicContact CZ3-CG 4.37Å; W717-F778 WeakPolarHBondContact O-CB 3.2Å; W717-L779 HydrophobicContact CD2-CD2 4.13Å; W717-L779 HydrophobicContact CE3-CD2 3.73Å; W717-L779 HydrophobicContact CE3-CG 4.37Å; W717-L779 HydrophobicContact CZ3-CD1 4.47Å; W717-L779 HydrophobicContact CZ3-CD2 4.09Å; W717-L779 HydrophobicContact CZ3-CG 4.42Å; W717-A810 HydrophobicContact CH2-CB 3.49Å; W717-A810 VanDerWaalsContact CH2-CB 3.49Å; W717-A810 HydrophobicContact CZ2-CB 3.51Å; W717-A810 HydrophobicContact CZ3-CB 4.2Å
718E93.7Very high76.7Confident35 Ų3542 Ų4216%0.16427%0.271CS..THydrogen-bonded Turntrans-130.714.9174.9-53.2-175.6162.900111.6N714 V716 A720 A721 K755 W768 K772N714-E718 HydrophobicContact CB-CB 4.3Å; N714-E718 HydrophobicContact CB-CG 4Å; N714-E718 VanDerWaalsContact CG-CD 3.43Å; N714-E718 CarbonylContact O-C 3.56Å; N714-E718 WeakPolarHBondContact O-CA 3.48Å; N714-E718 WeakPolarHBondContact O-CB 3.45Å; N714-E718 PolarHBondContact O-N 3.36Å; N714-E718 PolarHBondContact OD1-OE1 3.5Å; V716-E718 PolarHBondContact O-N 3.12Å; E718-A720 VanDerWaalsContact C-N 3.31Å; E718-A720 PolarHBondContact O-N 3.34Å; E718-A721 HydrophobicContact CB-CB 3.99Å; E718-A721 VanDerWaalsContact O-CB 3.27Å; E718-A721 WeakPolarHBondContact O-CB 3.3Å; E718-A721 PolarHBondContact O-N 3.18Å; E718-A721 VanDerWaalsContact O-N 3.07Å; E718-K755 VanDerWaalsContact OE1-CE 3.29Å; E718-K755 WeakPolarHBondContact OE1-CE 3.24Å; E718-K755 IonicContact OE1-NZ 2.66Å; E718-K755 PolarHBondContact OE1-NZ 3.07Å; E718-K755 IonicContact OE2-NZ 3.32Å; E718-K755 PolarHBondContact OE2-NZ 2.9Å; E718-W768 HydrophobicContact CG-CZ2 4.17Å; E718-W768 WeakPolarHBondContact OE1-CZ2 3.49Å; E718-K772 HydrophobicContact CG-CD 4.18Å; E718-K772 WeakPolarHBondContact OE1-CE 3.5Å; E718-K772 IonicContact OE1-NZ 3.45Å; E718-K772 PolarHBondContact OE1-NZ 2.97Å
719A89.7Confident73.4Confident50 Ų5042.5 Ų42.541%0.41327%0.273SS..THydrogen-bonded Turntrans-67.4-29.2-171.300000113.9S715 V716 F778 P780S715-A719 WeakPolarHBondContact O-CB 3.33Å; V716-A719 PolarHBondContact O-N 2.97Å; A719-F778 PolarHBondContact N-O 3.31Å; A719-P780 HydrophobicContact CB-CB 4.06Å; A719-P780 HydrophobicContact CB-CG 3.91Å
720A85.4Confident70.4Confident56 Ų5647.2 Ų47.246%0.46329%0.293SS..THydrogen-bonded Turntrans-108.712.4172.400000112.4E718 F778E718-A720 VanDerWaalsContact C-N 3.31Å; E718-A720 PolarHBondContact O-N 3.34Å; A720-F778 PolarHBondContact N-O 3.23Å
721A82.9Confident67Low15 Ų1548 Ų4812%0.12430%0.299CS..SBendtrans-66.6149174.400000110.8E718 V723 W768 F778E718-A721 HydrophobicContact CB-CB 3.99Å; E718-A721 VanDerWaalsContact O-CB 3.27Å; E718-A721 WeakPolarHBondContact O-CB 3.3Å; E718-A721 PolarHBondContact O-N 3.18Å; E718-A721 VanDerWaalsContact O-N 3.07Å; A721-V723 PolarHBondContact O-N 3.07Å; A721-W768 HydrophobicContact CB-CH2 3.8Å; A721-W768 HydrophobicContact CB-CZ3 4.46Å; A721-F778 HydrophobicContact CB-CB 3.99Å; A721-F778 HydrophobicContact CB-CD1 4.26Å; A721-F778 HydrophobicContact CB-CD2 4.21Å; A721-F778 HydrophobicContact CB-CG 3.89Å
722P68.8Low63.9Low47 Ų4747.1 Ų47.131%0.30529%0.289SS..  trans-62115.8172.326.4-33.1000109.2N724 I752 I753P722-N724 PolarHBondContact O-N 3.42Å; P722-I752 HydrophobicContact CB-CG2 4.11Å; P722-I752 HydrophobicContact CG-CG2 4.27Å; P722-I753 WeakPolarHBondContact CG-O 3.49Å
723V57.9Low60.6Low132 Ų13256 Ų5680%0.832%0.319SS*.  trans-52.5140.5-179-174.50000109.7A721 A725A721-V723 PolarHBondContact O-N 3.07Å; V723-A725 PolarHBondContact O-N 3.2Å
724N47.1Very low57.6Low103 Ų10359 Ų5955%0.55133%0.332SS*.  trans-7060.3173.4-86.9-8.1000111.8P722 G726P722-N724 PolarHBondContact O-N 3.42Å; N724-G726 VanDerWaalsContact C-N 3.34Å; N724-G726 PolarHBondContact O-N 3.44Å
725A33.7Very low54.4Low41 Ų4163.8 Ų63.834%0.33935%0.354SS..  trans-67.592.1166.700000109.1V723 N727 L728V723-A725 PolarHBondContact O-N 3.2Å; A725-N727 PolarHBondContact O-N 3.39Å; A725-L728 HydrophobicContact CB-CB 4.46Å; A725-L728 PolarHBondContact O-N 3Å
726G29.7Very low51.5Low56 Ų5668.1 Ų68.158%0.57737%0.368SS*.THydrogen-bonded Turntrans-49.4132.8135.700000107.8N724N724-G726 VanDerWaalsContact C-N 3.34Å; N724-G726 PolarHBondContact O-N 3.44Å
727N29.4Very low48.4Very low53 Ų5371.6 Ų71.628%0.28339%0.391SS..THydrogen-bonded Turntrans84.821.9-175.5-44.822.3000116.5R15 A725R15-N727 VanDerWaalsContact CZ-OD1 3.26Å; R15-N727 VanDerWaalsContact NH1-CG 3.33Å; R15-N727 PolarHBondContact NH1-OD1 3.41Å; A725-N727 PolarHBondContact O-N 3.39Å
728L31.2Very low45.5Very low73 Ų7380.1 Ų80.138%0.38242%0.424SS..  trans-143.3151.3151.4-108.2160.5000110.9K110 A725 R754K110-L728 HydrophobicContact CG-CD2 4.09Å; A725-L728 HydrophobicContact CB-CB 4.46Å; A725-L728 PolarHBondContact O-N 3Å; L728-R754 PolarHBondContact O-NH2 2.92Å
729R26.9Very low42.7Very low22 Ų2288 Ų888%0.08346%0.458CS..  trans-151.2141.7-173.51569.288.1114.223.2111.9I14 R15I14-R729 VanDerWaalsContact C-NH1 3.26Å; I14-R729 VanDerWaalsContact CG2-NH1 3.3Å; I14-R729 PolarHBondContact O-NH1 2.88Å; I14-R729 PolarHBondContact O-NH2 3.44Å; R15-R729 VanDerWaalsContact CA-CZ 3.41Å; R15-R729 HydrophobicContact CB-CG 4.38Å; R15-R729 HydrophobicContact CG-CG 3.6Å; R15-R729 PolarHBondContact O-NH2 3.31Å
730F32.2Very low40Very low98 Ų9896 Ų9643%0.4348%0.479SS..  trans-130.4124.9153.7-142.6-96.3000104.1L93 I752L93-F730 HydrophobicContact CB-CE2 4.42Å; F730-I752 HydrophobicContact CB-CD1 4.26Å
731S27.7Very low37.5Very low22 Ų2299.7 Ų99.715%0.15449%0.491CS..  trans-113153.2172.280.50000109.8I19 E22I19-S731 WeakPolarHBondContact CA-OG 3.25Å; E22-S731 WeakPolarHBondContact CB-O 3.48Å; E22-S731 VanDerWaalsContact CD-N 3.32Å; E22-S731 VanDerWaalsContact CD-O 3.29Å; E22-S731 PolarHBondContact OE1-N 3.39Å; E22-S731 WeakPolarHBondContact OE2-CA 3.44Å; E22-S731 VanDerWaalsContact OE2-CB 3.23Å; E22-S731 WeakPolarHBondContact OE2-CB 3.37Å; E22-S731 PolarHBondContact OE2-N 3.04Å; E22-S731 PolarHBondContact OE2-OG 3.01Å
732Q30.7Very low35.2Very low66 Ų66108.7 Ų108.731%0.30853%0.527SS..  trans60.793.3167-60.715910700113.1I19 F734I19-Q732 PolarHBondContact O-NE2 3.05Å; Q732-F734 HydrophobicContact CB-CE2 4.22Å; Q732-F734 HydrophobicContact CB-CZ 3.87Å; Q732-F734 WeakPolarHBondContact O-CD2 3.33Å; Q732-F734 WeakPolarHBondContact O-CE2 3.42Å; Q732-F734 PolarHBondContact O-N 2.83Å
733R27.4Very low33.5Very low232 Ų232112.8 Ų112.888%0.87555%0.546SS*.  51.564.785.2-64.7-174.7168.3165-1.1113.7
734F32.9Very low32.6Very low62 Ų62110 Ų11027%0.27253%0.529SS..  trans-97.4103.5157-64.3-55.3000112.5E22 H25 P26 Y29 Q732 F736E22-F734 WeakPolarHBondContact O-CE2 3.34Å; E22-F734 WeakPolarHBondContact O-CZ 3.18Å; H25-F734 HydrophobicContact CB-CD1 3.91Å; H25-F734 HydrophobicContact CB-CD2 4.01Å; H25-F734 HydrophobicContact CB-CE1 3.82Å; H25-F734 HydrophobicContact CB-CE2 3.77Å; H25-F734 HydrophobicContact CB-CG 4.14Å; H25-F734 HydrophobicContact CB-CZ 3.75Å; P26-F734 VanDerWaalsContact CA-CE1 3.46Å; P26-F734 HydrophobicContact CB-CE1 3.62Å; P26-F734 HydrophobicContact CB-CZ 4.39Å; P26-F734 VanDerWaalsContact CD-CZ 3.44Å; P26-F734 HydrophobicContact CG-CE1 3.45Å; P26-F734 VanDerWaalsContact CG-CE1 3.45Å; P26-F734 HydrophobicContact CG-CZ 3.72Å; Y29-F734 AromaticContact CD2-CD1 3.8Å; Y29-F734 HydrophobicContact CD2-CD1 3.8Å; Y29-F734 HydrophobicContact CD2-CG 4.3Å; Y29-F734 HydrophobicContact CE2-CB 4.27Å; Y29-F734 AromaticContact CE2-CD1 3.87Å; Y29-F734 HydrophobicContact CE2-CD1 3.87Å; Y29-F734 AromaticContact CE2-CG 3.95Å; Y29-F734 HydrophobicContact CE2-CG 3.95Å; Q732-F734 HydrophobicContact CB-CE2 4.22Å; Q732-F734 HydrophobicContact CB-CZ 3.87Å; Q732-F734 WeakPolarHBondContact O-CD2 3.33Å; Q732-F734 WeakPolarHBondContact O-CE2 3.42Å; Q732-F734 PolarHBondContact O-N 2.83Å; F734-F736 HydrophobicContact CB-CD2 4.46Å
735H30Very low31.9Very low128 Ų128112.3 Ų112.359%0.59354%0.535SS*.  trans-87.4102.6176.1165.8-91.4000108.3
736F33.2Very low31.9Very low131 Ų131116.9 Ų116.958%0.57555%0.552SS**  trans-114.2106.4174.8-86-68.2000110.6Y29 F734Y29-F736 AromaticContact CD1-CE1 3.87Å; Y29-F736 HydrophobicContact CD1-CE1 3.87Å; Y29-F736 AromaticContact CD1-CZ 3.78Å; Y29-F736 HydrophobicContact CD1-CZ 3.78Å; Y29-F736 HydrophobicContact CD2-CE1 4.19Å; Y29-F736 HydrophobicContact CD2-CE2 4.17Å; Y29-F736 AromaticContact CD2-CZ 3.82Å; Y29-F736 HydrophobicContact CD2-CZ 3.82Å; Y29-F736 AromaticContact CE1-CE1 3.99Å; Y29-F736 HydrophobicContact CE1-CE1 3.99Å; Y29-F736 HydrophobicContact CE1-CE2 4.39Å; Y29-F736 AromaticContact CE1-CZ 3.44Å; Y29-F736 HydrophobicContact CE1-CZ 3.44Å; Y29-F736 VanDerWaalsContact CE1-CZ 3.44Å; Y29-F736 HydrophobicContact CE2-CE1 4.24Å; Y29-F736 AromaticContact CE2-CE2 3.61Å; Y29-F736 HydrophobicContact CE2-CE2 3.61Å; Y29-F736 AromaticContact CE2-CZ 3.43Å; Y29-F736 HydrophobicContact CE2-CZ 3.43Å; Y29-F736 VanDerWaalsContact CE2-CZ 3.43Å; Y29-F736 HydrophobicContact CG-CE1 4.04Å; Y29-F736 HydrophobicContact CG-CZ 4.02Å; Y29-F736 AromaticContact CZ-CE2 3.78Å; Y29-F736 AromaticContact CZ-CZ 3.27Å; F734-F736 HydrophobicContact CB-CD2 4.46Å
737P29.6Very low32.3Very low74 Ų74118.7 Ų118.748%0.48155%0.552SS.*  trans-124.545.2-178.343.7-34000114.8
738Y35.5Very low32.8Very low187 Ų187121.2 Ų121.273%0.73356%0.564SS**  trans-120.154.3175.4-75.7-59.7000115.5
739F35.5Very low33.1Very low201 Ų201123 Ų12388%0.88257%0.574SS**SBend-144147.3127.1-121.3-82.4000111.3N741F739-N741 PolarHBondContact O-N 3.21Å
740Y31.6Very low33.7Very low217 Ų217126.4 Ų126.485%0.85159%0.593SS**  trans-66.7120-162.1-89.3-117.3000114.4
741N34Very low34.3Very low133 Ų133126.9 Ų126.971%0.71160%0.598SS**  -161.5144.3128.7-107.8-50.3000113F739 L743 T744F739-N741 PolarHBondContact O-N 3.21Å; N741-L743 PolarHBondContact O-N 3.49Å; N741-T744 PolarHBondContact O-OG1 3.4Å
742K33.3Very low35.5Very low205 Ų205129.7 Ų129.789%0.89161%0.611SS**THydrogen-bonded Turntrans-81.216.9-166.1-149.2-179.6-179.5-1790115.2
743L34.4Very low37.1Very low132 Ų132127.6 Ų127.669%0.69160%0.602SS**THydrogen-bonded Turntrans-116.3-27.1-177.9-90.172.4000113.7N741 F745 I746N741-L743 PolarHBondContact O-N 3.49Å; L743-F745 PolarHBondContact O-N 2.81Å; L743-F745 VanDerWaalsContact O-N 3.16Å; L743-I746 PolarHBondContact O-N 2.62Å
744T38.4Very low39.4Very low73 Ų73123 Ų12345%0.44858%0.584SS.*G310 helixtrans-66.4-19.3-172.117.30000114.4N741 I746 V747 I748N741-T744 PolarHBondContact O-OG1 3.4Å; T744-I746 PolarHBondContact O-N 2.82Å; T744-I746 VanDerWaalsContact O-N 3.1Å; T744-V747 PolarHBondContact O-N 3.2Å; T744-I748 PolarHBondContact O-N 2.83Å
745F32.2Very low42.1Very low152 Ų152122.2 Ų122.267%0.66758%0.58SS**G310 helixtrans-59.8-19.6174-160.5-95.7000113.6L743L743-F745 PolarHBondContact O-N 2.81Å; L743-F745 VanDerWaalsContact O-N 3.16Å
746I34.8Very low45.1Very low137 Ų137116.7 Ų116.770%0.70356%0.556SS**G310 helixtrans-86-26.7175.9-63.2172.6000111.6L743 T744L743-I746 PolarHBondContact O-N 2.62Å; T744-I746 PolarHBondContact O-N 2.82Å; T744-I746 VanDerWaalsContact O-N 3.1Å
747V38.1Very low47.8Very low95 Ų95113.9 Ų113.958%0.57655%0.547SS*.THydrogen-bonded Turntrans-88-27.8-169.5-171.60000112.6T744 N749 L750T744-V747 PolarHBondContact O-N 3.2Å; V747-N749 VanDerWaalsContact C-N 3.33Å; V747-N749 PolarHBondContact O-N 3.05Å; V747-L750 VanDerWaalsContact O-CD1 3.3Å; V747-L750 WeakPolarHBondContact O-CD1 3.49Å
748I39.1Very low50.9Low106 Ų106113.6 Ų113.654%0.54455%0.545SS..G310 helixtrans-77.4-15.3-171.8-65.9168.3000113.1T744 L750T744-I748 PolarHBondContact O-N 2.83Å; I748-L750 VanDerWaalsContact C-N 3.29Å; I748-L750 PolarHBondContact O-N 2.92Å
749N36.7Very low53.5Low111 Ų111109.6 Ų109.659%0.59455%0.545SS*.G310 helixtrans-77.3-4.1178.1-79.4-68000114.9V747 M751V747-N749 VanDerWaalsContact C-N 3.33Å; V747-N749 PolarHBondContact O-N 3.05Å; N749-M751 VanDerWaalsContact C-N 3.3Å; N749-M751 PolarHBondContact O-N 3.05Å
750L40.2Very low56.1Low92 Ų92100.9 Ų100.948%0.48251%0.509SS..G310 helixtrans-79.4-3.2-179-77.490.1000114.5V747 I748 I752 E777V747-L750 VanDerWaalsContact O-CD1 3.3Å; V747-L750 WeakPolarHBondContact O-CD1 3.49Å; I748-L750 VanDerWaalsContact C-N 3.29Å; I748-L750 PolarHBondContact O-N 2.92Å; L750-I752 PolarHBondContact O-N 3.44Å; L750-E777 HydrophobicContact CD2-CG 4.09Å
751M45.4Very low58.9Low108 Ų10892.6 Ų92.653%0.53248%0.482SS..SBendtrans-82.3101.9-177.6-73.7-169167.800113A96 V98 N749A96-M751 HydrophobicContact CB-CE 4.33Å; V98-M751 HydrophobicContact CG2-CE 4.34Å; N749-M751 VanDerWaalsContact C-N 3.3Å; N749-M751 PolarHBondContact O-N 3.05Å
752I52.1Low61.5Low82 Ų8289.4 Ų89.442%0.42146%0.46SS..  trans5761.2173.9-37.9-179.7000113.4P722 F730 L750 R754P722-I752 HydrophobicContact CB-CG2 4.11Å; P722-I752 HydrophobicContact CG-CG2 4.27Å; F730-I752 HydrophobicContact CB-CD1 4.26Å; L750-I752 PolarHBondContact O-N 3.44Å; I752-R754 PolarHBondContact O-N 3.49Å; I752-R754 VanDerWaalsContact O-N 3.13Å
753I65Low64.2Low22 Ų2284 Ų8411%0.11344%0.438CS..  trans-63.6112.4164.2-45.3176.1000107.9P722 V767 W768 A771 E777 F778P722-I753 WeakPolarHBondContact CG-O 3.49Å; I753-V767 HydrophobicContact CD1-CG1 4.13Å; I753-V767 HydrophobicContact CG1-CG1 4.44Å; I753-V767 HydrophobicContact CG2-CG1 3.95Å; I753-W768 HydrophobicContact CG2-CB 4.37Å; I753-W768 HydrophobicContact CG2-CE3 3.96Å; I753-W768 WeakPolarHBondContact O-CZ3 3.43Å; I753-A771 HydrophobicContact CD1-CB 3.45Å; I753-A771 VanDerWaalsContact CD1-CB 3.45Å; I753-E777 WeakPolarHBondContact CD1-OE2 3.38Å; I753-F778 HydrophobicContact CB-CZ 4.2Å; I753-F778 HydrophobicContact CD1-CZ 4.35Å
754R76.1Confident66.7Low136 Ų13682.7 Ų82.751%0.51343%0.429SS..PPolyproline II helixtrans-81.5151.4175.4-91.5-176.2164.8146.7-1.5111.4L728 I752 W768L728-R754 PolarHBondContact O-NH2 2.92Å; I752-R754 PolarHBondContact O-N 3.49Å; I752-R754 VanDerWaalsContact O-N 3.13Å; R754-W768 VanDerWaalsContact C-CE3 3.48Å; R754-W768 VanDerWaalsContact O-CE3 3.3Å
755K89.3Confident69.3Low44 Ų4479.8 Ų79.819%0.19141%0.41CS..PPolyproline II helixtrans-64.4125.1170.7-170.5165-171.9165.70109.5A653 D654 N714 E718 W768A653-K755 WeakPolarHBondContact O-CE 3.42Å; A653-K755 PolarHBondContact O-NZ 3.37Å; D654-K755 WeakPolarHBondContact O-CE 3.43Å; D654-K755 VanDerWaalsContact O-CG 3.31Å; D654-K755 WeakPolarHBondContact O-CG 3.29Å; N714-K755 PolarHBondContact ND2-NZ 3.06Å; E718-K755 VanDerWaalsContact OE1-CE 3.29Å; E718-K755 WeakPolarHBondContact OE1-CE 3.24Å; E718-K755 IonicContact OE1-NZ 2.66Å; E718-K755 PolarHBondContact OE1-NZ 3.07Å; E718-K755 IonicContact OE2-NZ 3.32Å; E718-K755 PolarHBondContact OE2-NZ 2.9Å; K755-W768 HydrophobicContact CB-CD2 4.43Å; K755-W768 HydrophobicContact CB-CE3 4.38Å; K755-W768 HydrophobicContact CB-CH2 3.57Å; K755-W768 HydrophobicContact CB-CZ2 3.62Å; K755-W768 HydrophobicContact CB-CZ3 3.98Å; K755-W768 HydrophobicContact CD-CH2 4.38Å; K755-W768 HydrophobicContact CD-CZ2 3.79Å; K755-W768 HydrophobicContact CG-CD2 4.49Å; K755-W768 HydrophobicContact CG-CH2 4.06Å; K755-W768 HydrophobicContact CG-CZ2 3.55Å; K755-W768 VanDerWaalsContact N-CZ3 3.34Å
756P91.8Very high72.2Confident12 Ų1274.3 Ų74.38%0.07839%0.386CS..PPolyproline II helixtrans-66.5158.117828.6-35.7000111.1D654 C655 S760 K765 W768D654-P756 WeakPolarHBondContact O-CD 3.47Å; D654-P756 WeakPolarHBondContact O-CG 3.41Å; C655-P756 CarbonylContact C-O 3.6Å; C655-P756 VanDerWaalsContact CA-O 3.27Å; C655-P756 WeakPolarHBondContact CA-O 3.28Å; C655-P756 HydrophobicContact CB-CB 4.3Å; C655-P756 HydrophobicContact CB-CG 3.97Å; P756-S760 WeakPolarHBondContact CA-OG 3.36Å; P756-K765 HydrophobicContact CB-CG 3.66Å; P756-K765 HydrophobicContact CG-CG 3.83Å; P756-W768 HydrophobicContact CG-CB 4.12Å; P756-W768 HydrophobicContact CG-CG 4.06Å
757D91.6Very high74.8Confident73 Ų7371.2 Ų71.239%0.3937%0.374SS..  trans-98.4174.1171.18184.9000110.7C655 S759 S760 K765C655-D757 CarbonylContact O-C 3.51Å; D757-S759 PolarHBondContact O-N 2.9Å; D757-S759 VanDerWaalsContact OD1-CA 3.32Å; D757-S759 WeakPolarHBondContact OD1-CA 3.34Å; D757-S759 VanDerWaalsContact OD1-CB 3.31Å; D757-S759 WeakPolarHBondContact OD1-CB 3.38Å; D757-S759 PolarHBondContact OD1-N 3.45Å; D757-S759 PolarHBondContact OD1-OG 3.24Å; D757-S760 VanDerWaalsContact CG-OG 3.3Å; D757-S760 PolarHBondContact N-OG 3.5Å; D757-S760 PolarHBondContact O-N 3.49Å; D757-S760 PolarHBondContact O-OG 2.85Å; D757-S760 PolarHBondContact OD1-N 2.92Å; D757-S760 PolarHBondContact OD2-N 2.92Å; D757-S760 PolarHBondContact OD2-OG 2.83Å; D757-K765 WeakPolarHBondContact O-CE 3.35Å
758P93Very high77.4Confident68 Ų6866.8 Ų66.844%0.44235%0.347SS..THydrogen-bonded Turntrans-59.1-31.2-178.8-24.535.2000113.5C655 A657 K765C655-P758 VanDerWaalsContact O-CD 3.3Å; C655-P758 WeakPolarHBondContact O-CD 3.37Å; C655-P758 VanDerWaalsContact O-N 3.13Å; A657-P758 HydrophobicContact CB-CB 3.93Å; A657-P758 HydrophobicContact CB-CG 4.26Å; P758-K765 PolarHBondContact O-NZ 2.98Å
759S91.1Very high80.1Confident103 Ų10361.8 Ų61.872%0.7232%0.321SS*.THydrogen-bonded Turntrans-94.7-11.5-177.374.60000115.3D757D757-S759 PolarHBondContact O-N 2.9Å; D757-S759 VanDerWaalsContact OD1-CA 3.32Å; D757-S759 WeakPolarHBondContact OD1-CA 3.34Å; D757-S759 VanDerWaalsContact OD1-CB 3.31Å; D757-S759 WeakPolarHBondContact OD1-CB 3.38Å; D757-S759 PolarHBondContact OD1-N 3.45Å; D757-S759 PolarHBondContact OD1-OG 3.24Å
760S89.7Confident82.8Confident18 Ų1859.4 Ų59.413%0.12630%0.304CS..SBendtrans-54.2156.7178.6-44.10000112.5P756 D757 K765P756-S760 WeakPolarHBondContact CA-OG 3.36Å; D757-S760 VanDerWaalsContact CG-OG 3.3Å; D757-S760 PolarHBondContact N-OG 3.5Å; D757-S760 PolarHBondContact O-N 3.49Å; D757-S760 PolarHBondContact O-OG 2.85Å; D757-S760 PolarHBondContact OD1-N 2.92Å; D757-S760 PolarHBondContact OD2-N 2.92Å; D757-S760 PolarHBondContact OD2-OG 2.83Å; S760-K765 WeakPolarHBondContact O-CE 3.3Å; S760-K765 PolarHBondContact O-NZ 2.88Å
761S90.2Very high85.2Confident43 Ų4355.1 Ų55.130%0.30128%0.281SS..  trans-59.6160178.768.90000112.4E763 E764 K765S761-E763 WeakPolarHBondContact CB-OE2 3.35Å; S761-E763 PolarHBondContact O-N 2.94Å; S761-E764 VanDerWaalsContact CB-OE2 3.25Å; S761-E764 WeakPolarHBondContact CB-OE2 3.34Å; S761-E764 PolarHBondContact N-OE2 3.29Å; S761-E764 WeakPolarHBondContact OG-CB 3.17Å; S761-E764 WeakPolarHBondContact OG-CG 3.25Å; S761-E764 PolarHBondContact OG-N 3.08Å; S761-E764 VanDerWaalsContact OG-N 3.09Å; S761-E764 PolarHBondContact OG-OE2 3.26Å; S761-K765 WeakPolarHBondContact O-CG 3.43Å; S761-K765 PolarHBondContact O-N 2.88Å; S761-K765 VanDerWaalsContact O-N 3.14Å
762R90.1Very high87.5Confident65 Ų6550 Ų5025%0.24526%0.256CS..Hα-helixtrans-68.8-32.1178.7-175.8172.7162107.714.8110.7G677 I678 K765 E766G677-R762 PolarHBondContact O-NH2 2.84Å; I678-R762 HydrophobicContact CD1-CG 4.15Å; I678-R762 HydrophobicContact CG1-CG 4.42Å; R762-K765 PolarHBondContact O-N 3.21Å; R762-E766 WeakPolarHBondContact O-CB 3.49Å; R762-E766 PolarHBondContact O-N 2.82Å
763E88Confident89.6Confident92 Ų9246.2 Ų46.243%0.4324%0.237SC..Hα-helixtrans-66.1-46178-61.380175.100111S461 S761 E766 V767S461-E763 PolarHBondContact OG-OE1 3.33Å; S761-E763 WeakPolarHBondContact CB-OE2 3.35Å; S761-E763 PolarHBondContact O-N 2.94Å; E763-E766 PolarHBondContact O-N 2.79Å; E763-V767 WeakPolarHBondContact O-CG2 3.36Å; E763-V767 PolarHBondContact O-N 3.44Å
764E87.5Confident90.9Very high105 Ų10548.9 Ų48.949%0.49125%0.248SC..Hα-helixtrans-63.7-43.3172.9-73.1158.5143.900112.1S761 E766 V767 W768S761-E764 VanDerWaalsContact CB-OE2 3.25Å; S761-E764 WeakPolarHBondContact CB-OE2 3.34Å; S761-E764 PolarHBondContact N-OE2 3.29Å; S761-E764 WeakPolarHBondContact OG-CB 3.17Å; S761-E764 WeakPolarHBondContact OG-CG 3.25Å; S761-E764 PolarHBondContact OG-N 3.08Å; S761-E764 VanDerWaalsContact OG-N 3.09Å; S761-E764 PolarHBondContact OG-OE2 3.26Å; E764-E766 VanDerWaalsContact C-N 3.27Å; E764-E766 PolarHBondContact O-N 2.83Å; E764-V767 PolarHBondContact O-N 3.02Å; E764-W768 PolarHBondContact O-N 3.14Å; E764-W768 VanDerWaalsContact O-N 3.12Å
765K92.6Very high91.6Very high12 Ų1247.3 Ų47.35%0.05225%0.247CC..Hα-helixtrans-60.7-36.7174.4-74.7162.8177.7154.40111.8C655 I678 P756 D757 P758 S760 S761 R762 I769C655-K765 HydrophobicContact CB-CG 4.43Å; I678-K765 HydrophobicContact CD1-CB 3.71Å; P756-K765 HydrophobicContact CB-CG 3.66Å; P756-K765 HydrophobicContact CG-CG 3.83Å; D757-K765 WeakPolarHBondContact O-CE 3.35Å; P758-K765 PolarHBondContact O-NZ 2.98Å; S760-K765 WeakPolarHBondContact O-CE 3.3Å; S760-K765 PolarHBondContact O-NZ 2.88Å; S761-K765 WeakPolarHBondContact O-CG 3.43Å; S761-K765 PolarHBondContact O-N 2.88Å; S761-K765 VanDerWaalsContact O-N 3.14Å; R762-K765 PolarHBondContact O-N 3.21Å; K765-I769 VanDerWaalsContact O-CB 3.26Å; K765-I769 WeakPolarHBondContact O-CB 3.49Å; K765-I769 WeakPolarHBondContact O-CD1 3.28Å; K765-I769 WeakPolarHBondContact O-CG1 3.31Å; K765-I769 PolarHBondContact O-N 3.31Å
766E93.8Very high91.7Very high36 Ų3650 Ų5017%0.16826%0.256CS..Hα-helixtrans-70-42177.5-179.1166.9164.500113Q458 I678 R762 E763 E764 W768 I769 R770Q458-E766 PolarHBondContact NE2-OE2 2.92Å; I678-E766 HydrophobicContact CD1-CB 4.16Å; I678-E766 HydrophobicContact CG1-CB 4.49Å; I678-E766 HydrophobicContact CG2-CB 4.06Å; I678-E766 HydrophobicContact CG2-CG 3.96Å; R762-E766 WeakPolarHBondContact O-CB 3.49Å; R762-E766 PolarHBondContact O-N 2.82Å; E763-E766 PolarHBondContact O-N 2.79Å; E764-E766 VanDerWaalsContact C-N 3.27Å; E764-E766 PolarHBondContact O-N 2.83Å; E766-W768 VanDerWaalsContact C-N 3.35Å; E766-W768 PolarHBondContact O-N 3.17Å; E766-I769 PolarHBondContact O-N 2.76Å; E766-R770 HydrophobicContact CG-CG 4.2Å; E766-R770 WeakPolarHBondContact O-CB 3.25Å; E766-R770 WeakPolarHBondContact O-CG 3.38Å; E766-R770 PolarHBondContact O-N 2.77Å; E766-R770 IonicContact OE1-CZ 3.46Å; E766-R770 IonicContact OE1-NE 3.77Å; E766-R770 PolarHBondContact OE1-NE 3.35Å; E766-R770 IonicContact OE1-NH2 3.87Å; E766-R770 PolarHBondContact OE1-NH2 3.21Å
767V88.9Confident91.6Very high73 Ų7352.1 Ų52.144%0.44227%0.265SS..Hα-helixtrans-58.5-48.2174.8174.50000110.4I753 E763 E764 R770 A771I753-V767 HydrophobicContact CD1-CG1 4.13Å; I753-V767 HydrophobicContact CG1-CG1 4.44Å; I753-V767 HydrophobicContact CG2-CG1 3.95Å; E763-V767 WeakPolarHBondContact O-CG2 3.36Å; E763-V767 PolarHBondContact O-N 3.44Å; E764-V767 PolarHBondContact O-N 3.02Å; V767-R770 PolarHBondContact O-N 3.19Å; V767-A771 WeakPolarHBondContact O-CB 3.43Å; V767-A771 PolarHBondContact O-N 3.48Å
768W93.1Very high91.5Very high2 Ų249.1 Ų49.11%0.00825%0.248CC..Hα-helixtrans-60.9-49.1176.5176.1-97.4000112.9D654 E718 A721 I753 R754 K755 P756 E764 E766 R770 A771 K772 F778D654-W768 PolarHBondContact O-NE1 3.42Å; E718-W768 HydrophobicContact CG-CZ2 4.17Å; E718-W768 WeakPolarHBondContact OE1-CZ2 3.49Å; A721-W768 HydrophobicContact CB-CH2 3.8Å; A721-W768 HydrophobicContact CB-CZ3 4.46Å; I753-W768 HydrophobicContact CG2-CB 4.37Å; I753-W768 HydrophobicContact CG2-CE3 3.96Å; I753-W768 WeakPolarHBondContact O-CZ3 3.43Å; R754-W768 VanDerWaalsContact C-CE3 3.48Å; R754-W768 VanDerWaalsContact O-CE3 3.3Å; K755-W768 HydrophobicContact CB-CD2 4.43Å; K755-W768 HydrophobicContact CB-CE3 4.38Å; K755-W768 HydrophobicContact CB-CH2 3.57Å; K755-W768 HydrophobicContact CB-CZ2 3.62Å; K755-W768 HydrophobicContact CB-CZ3 3.98Å; K755-W768 HydrophobicContact CD-CH2 4.38Å; K755-W768 HydrophobicContact CD-CZ2 3.79Å; K755-W768 HydrophobicContact CG-CD2 4.49Å; K755-W768 HydrophobicContact CG-CH2 4.06Å; K755-W768 HydrophobicContact CG-CZ2 3.55Å; K755-W768 VanDerWaalsContact N-CZ3 3.34Å; P756-W768 HydrophobicContact CG-CB 4.12Å; P756-W768 HydrophobicContact CG-CG 4.06Å; E764-W768 PolarHBondContact O-N 3.14Å; E764-W768 VanDerWaalsContact O-N 3.12Å; E766-W768 VanDerWaalsContact C-N 3.35Å; E766-W768 PolarHBondContact O-N 3.17Å; W768-R770 VanDerWaalsContact C-N 3.34Å; W768-R770 PolarHBondContact O-N 2.82Å; W768-A771 PolarHBondContact O-N 3.32Å; W768-K772 WeakPolarHBondContact O-CB 3.47Å; W768-K772 PolarHBondContact O-N 3.1Å; W768-F778 AromaticContact CD2-CE2 3.82Å; W768-F778 HydrophobicContact CD2-CE2 3.82Å; W768-F778 HydrophobicContact CD2-CZ 4.41Å; W768-F778 AromaticContact CE3-CE2 3.51Å; W768-F778 HydrophobicContact CE3-CE2 3.51Å; W768-F778 AromaticContact CE3-CZ 3.7Å; W768-F778 HydrophobicContact CE3-CZ 3.7Å; W768-F778 HydrophobicContact CH2-CD2 4.19Å; W768-F778 AromaticContact CH2-CE2 3.87Å; W768-F778 HydrophobicContact CH2-CE2 3.87Å; W768-F778 HydrophobicContact CH2-CZ 4.43Å; W768-F778 HydrophobicContact CZ2-CD2 4.37Å; W768-F778 HydrophobicContact CZ2-CE2 4.13Å; W768-F778 HydrophobicContact CZ3-CD2 4.26Å; W768-F778 AromaticContact CZ3-CE2 3.53Å; W768-F778 HydrophobicContact CZ3-CE2 3.53Å; W768-F778 AromaticContact CZ3-CZ 3.71Å; W768-F778 HydrophobicContact CZ3-CZ 3.71Å
769I95.6Very high91.5Very high0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-65.3-35.9-177.5-74.5166.5000111.8D654 C675 I678 L682 K765 E766 Y773D654-I769 HydrophobicContact CB-CD1 4.14Å; D654-I769 HydrophobicContact CB-CG1 3.92Å; C675-I769 HydrophobicContact CB-CD1 3.73Å; I678-I769 HydrophobicContact CB-CD1 4.1Å; I678-I769 HydrophobicContact CB-CG2 4.46Å; I678-I769 HydrophobicContact CD1-CD1 3.93Å; I678-I769 HydrophobicContact CG2-CB 4.06Å; I678-I769 HydrophobicContact CG2-CD1 4.16Å; I678-I769 HydrophobicContact CG2-CG2 3.68Å; L682-I769 HydrophobicContact CD1-CG2 3.86Å; L682-I769 HydrophobicContact CD2-CG2 4.47Å; L682-I769 HydrophobicContact CG-CG2 4.45Å; K765-I769 VanDerWaalsContact O-CB 3.26Å; K765-I769 WeakPolarHBondContact O-CB 3.49Å; K765-I769 WeakPolarHBondContact O-CD1 3.28Å; K765-I769 WeakPolarHBondContact O-CG1 3.31Å; K765-I769 PolarHBondContact O-N 3.31Å; E766-I769 PolarHBondContact O-N 2.76Å; I769-Y773 HydrophobicContact CG2-CD2 4.24Å; I769-Y773 PolarHBondContact O-N 3.29Å
770R93.6Very high91.4Very high62 Ų6243 Ų4323%0.23421%0.205CC..Iπ-helixtrans-69.5-47.5173.4-71.5-173.7-174.3-76.1-0.6111.8L682 E766 V767 W768 K772 Q774 H775L682-R770 HydrophobicContact CD2-CG 3.89Å; E766-R770 HydrophobicContact CG-CG 4.2Å; E766-R770 WeakPolarHBondContact O-CB 3.25Å; E766-R770 WeakPolarHBondContact O-CG 3.38Å; E766-R770 PolarHBondContact O-N 2.77Å; E766-R770 IonicContact OE1-CZ 3.46Å; E766-R770 IonicContact OE1-NE 3.77Å; E766-R770 PolarHBondContact OE1-NE 3.35Å; E766-R770 IonicContact OE1-NH2 3.87Å; E766-R770 PolarHBondContact OE1-NH2 3.21Å; V767-R770 PolarHBondContact O-N 3.19Å; W768-R770 VanDerWaalsContact C-N 3.34Å; W768-R770 PolarHBondContact O-N 2.82Å; R770-K772 VanDerWaalsContact C-N 3.33Å; R770-K772 PolarHBondContact O-N 3.09Å; R770-Q774 HydrophobicContact CB-CB 4.43Å; R770-Q774 CarbonylContact O-C 3.52Å; R770-Q774 WeakPolarHBondContact O-CA 3.36Å; R770-Q774 VanDerWaalsContact O-CB 3.28Å; R770-Q774 WeakPolarHBondContact O-CB 3.23Å; R770-Q774 PolarHBondContact O-N 3.1Å; R770-H775 PolarHBondContact O-N 3.12Å
771A90.6Very high91.3Very high1 Ų147.8 Ų47.81%0.00824%0.235CC..Iπ-helixtrans-56.6-4817600000111.8I753 V767 W768 R776 E777 F778I753-A771 HydrophobicContact CD1-CB 3.45Å; I753-A771 VanDerWaalsContact CD1-CB 3.45Å; V767-A771 WeakPolarHBondContact O-CB 3.43Å; V767-A771 PolarHBondContact O-N 3.48Å; W768-A771 PolarHBondContact O-N 3.32Å; A771-R776 PolarHBondContact O-N 3.27Å; A771-E777 WeakPolarHBondContact CA-OE1 3.48Å; A771-E777 HydrophobicContact CB-CB 4.39Å; A771-E777 HydrophobicContact CB-CG 4.4Å; A771-E777 WeakPolarHBondContact CB-OE1 3.03Å; A771-E777 PolarHBondContact O-N 2.87Å; A771-F778 HydrophobicContact CB-CE1 4.27Å; A771-F778 HydrophobicContact CB-CE2 4.03Å; A771-F778 HydrophobicContact CB-CZ 3.59Å
772K94.2Very high91.3Very high0 Ų047.6 Ų47.60%023%0.231CC..Iπ-helixtrans-59.5-53.9179.3-173.1170.7178-173.50113.4A653 D654 N714 W717 E718 W768 R770 F778A653-K772 PolarHBondContact O-NZ 3.05Å; D654-K772 IonicContact OD1-NZ 2.78Å; D654-K772 PolarHBondContact OD1-NZ 3.37Å; N714-K772 PolarHBondContact OD1-NZ 3.31Å; W717-K772 HydrophobicContact CB-CG 4.25Å; W717-K772 VanDerWaalsContact CE3-O 3.29Å; W717-K772 WeakPolarHBondContact CZ3-O 3.31Å; W717-K772 WeakPolarHBondContact O-CG 3.27Å; E718-K772 HydrophobicContact CG-CD 4.18Å; E718-K772 WeakPolarHBondContact OE1-CE 3.5Å; E718-K772 IonicContact OE1-NZ 3.45Å; E718-K772 PolarHBondContact OE1-NZ 2.97Å; W768-K772 WeakPolarHBondContact O-CB 3.47Å; W768-K772 PolarHBondContact O-N 3.1Å; R770-K772 VanDerWaalsContact C-N 3.33Å; R770-K772 PolarHBondContact O-N 3.09Å; K772-F778 HydrophobicContact CB-CD2 3.83Å; K772-F778 HydrophobicContact CB-CE2 3.9Å; K772-F778 HydrophobicContact CG-CD2 4.16Å
773Y96.2Very high91.3Very high4 Ų447.9 Ų47.92%0.01624%0.241CC..Iπ-helixtrans-109.9-31.8-167.9-61.9-64.1000115.5D654 L667 H679 W717 I769D654-Y773 VanDerWaalsContact OD1-CE2 3.31Å; D654-Y773 WeakPolarHBondContact OD1-CE2 3.38Å; D654-Y773 PolarHBondContact OD1-OH 3.34Å; L667-Y773 HydrophobicContact CD1-CD1 3.75Å; L667-Y773 HydrophobicContact CD1-CE1 3.62Å; L667-Y773 HydrophobicContact CD1-CE2 4.45Å; L667-Y773 HydrophobicContact CD1-CG 4.22Å; L667-Y773 HydrophobicContact CD2-CD1 4.24Å; L667-Y773 HydrophobicContact CD2-CE1 4.33Å; L667-Y773 HydrophobicContact CG-CE1 4.46Å; H679-Y773 AromaticContact CE1-CD2 3.58Å; H679-Y773 AromaticContact CE1-CE2 3.28Å; H679-Y773 WeakPolarHBondContact CE1-CE2 3.41Å; H679-Y773 AromaticContact CE1-CZ 3.97Å; H679-Y773 AromaticContact NE2-CD2 3.7Å; H679-Y773 AromaticContact NE2-CE2 3.38Å; H679-Y773 WeakPolarHBondContact NE2-CE2 3.37Å; W717-Y773 HydrophobicContact CB-CE1 4Å; W717-Y773 AromaticContact CD2-CD1 3.62Å; W717-Y773 HydrophobicContact CD2-CD1 3.62Å; W717-Y773 AromaticContact CD2-CE1 3.57Å; W717-Y773 HydrophobicContact CD2-CE1 3.57Å; W717-Y773 AromaticContact CE2-CE1 4Å; W717-Y773 AromaticContact CE3-CD1 3.52Å; W717-Y773 HydrophobicContact CE3-CD1 3.52Å; W717-Y773 AromaticContact CE3-CE1 3.93Å; W717-Y773 HydrophobicContact CE3-CE1 3.93Å; W717-Y773 HydrophobicContact CG-CD1 4.16Å; W717-Y773 AromaticContact CG-CE1 3.61Å; W717-Y773 HydrophobicContact CG-CE1 3.61Å; W717-Y773 HydrophobicContact CH2-CD1 4.19Å; W717-Y773 HydrophobicContact CZ2-CD1 4.29Å; W717-Y773 AromaticContact CZ3-CD1 3.82Å; W717-Y773 HydrophobicContact CZ3-CD1 3.82Å; I769-Y773 HydrophobicContact CG2-CD2 4.24Å; I769-Y773 PolarHBondContact O-N 3.29Å
774Q92.9Very high91.4Very high77 Ų7749.2 Ų49.236%0.3624%0.243SC..Iπ-helixtrans-88.1-47.4-178.5-175.7-174-20.800111.5L682 I686 R770L682-Q774 HydrophobicContact CD2-CB 4.38Å; I686-Q774 HydrophobicContact CD1-CB 4.19Å; I686-Q774 HydrophobicContact CD1-CG 4.02Å; R770-Q774 HydrophobicContact CB-CB 4.43Å; R770-Q774 CarbonylContact O-C 3.52Å; R770-Q774 WeakPolarHBondContact O-CA 3.36Å; R770-Q774 VanDerWaalsContact O-CB 3.28Å; R770-Q774 WeakPolarHBondContact O-CB 3.23Å; R770-Q774 PolarHBondContact O-N 3.1Å
775H89.5Confident91.2Very high104 Ų10449.2 Ų49.248%0.48125%0.252SS..Iπ-helixtrans-89.9-20.7179-50.2157.4000112.5R770 E777R770-H775 PolarHBondContact O-N 3.12Å; H775-E777 VanDerWaalsContact C-N 3.27Å; H775-E777 HydrophobicContact CB-CG 3.78Å; H775-E777 VanDerWaalsContact CB-OE1 3.23Å; H775-E777 WeakPolarHBondContact CB-OE1 3.42Å; H775-E777 IonicContact CE1-OE1 2.76Å; H775-E777 IonicContact CG-OE1 3.76Å; H775-E777 IonicContact ND1-OE1 2.69Å; H775-E777 PolarHBondContact ND1-OE1 3.06Å; H775-E777 PolarHBondContact O-N 3.34Å
776R92.3Very high91Very high101 Ų10156.3 Ų56.338%0.38129%0.29SS..  trans6626176.9-48173.2-179.3177.7-10.7113.5W717 A771 F778 L779 A810W717-R776 HydrophobicContact CZ3-CG 4.37Å; A771-R776 PolarHBondContact O-N 3.27Å; R776-F778 PolarHBondContact O-N 3.07Å; R776-F778 VanDerWaalsContact O-N 3.12Å; R776-L779 HydrophobicContact CB-CD1 3.77Å; R776-L779 HydrophobicContact CB-CG 4.1Å; R776-L779 HydrophobicContact CG-CD1 4.34Å; R776-L779 PolarHBondContact O-N 3.41Å; R776-A810 WeakPolarHBondContact CD-O 3.32Å; R776-A810 PolarHBondContact NE-O 2.88Å; R776-A810 VanDerWaalsContact NE-O 3.13Å; R776-A810 PolarHBondContact NH1-O 2.81Å; R776-A810 VanDerWaalsContact NH1-O 3.1Å; R776-A810 PolarHBondContact NH2-O 2.93Å
777E88.2Confident90.8Very high56 Ų5656 Ų5626%0.26229%0.294SS..THydrogen-bonded Turntrans-59.2-26.2-171.5-72.1167.7-132.500114L750 I753 A771 H775L750-E777 HydrophobicContact CD2-CG 4.09Å; I753-E777 WeakPolarHBondContact CD1-OE2 3.38Å; A771-E777 WeakPolarHBondContact CA-OE1 3.48Å; A771-E777 HydrophobicContact CB-CB 4.39Å; A771-E777 HydrophobicContact CB-CG 4.4Å; A771-E777 WeakPolarHBondContact CB-OE1 3.03Å; A771-E777 PolarHBondContact O-N 2.87Å; H775-E777 VanDerWaalsContact C-N 3.27Å; H775-E777 HydrophobicContact CB-CG 3.78Å; H775-E777 VanDerWaalsContact CB-OE1 3.23Å; H775-E777 WeakPolarHBondContact CB-OE1 3.42Å; H775-E777 IonicContact CE1-OE1 2.76Å; H775-E777 IonicContact CG-OE1 3.76Å; H775-E777 IonicContact ND1-OE1 2.69Å; H775-E777 PolarHBondContact ND1-OE1 3.06Å; H775-E777 PolarHBondContact O-N 3.34Å
778F91.2Very high91Very high10 Ų1055.7 Ų55.74%0.04429%0.294CS..THydrogen-bonded Turntrans-103.17.4-174.6-45.7-34.5000113.9W717 A719 A720 A721 I753 W768 A771 K772 R776W717-F778 WeakPolarHBondContact O-CB 3.2Å; A719-F778 PolarHBondContact N-O 3.31Å; A720-F778 PolarHBondContact N-O 3.23Å; A721-F778 HydrophobicContact CB-CB 3.99Å; A721-F778 HydrophobicContact CB-CD1 4.26Å; A721-F778 HydrophobicContact CB-CD2 4.21Å; A721-F778 HydrophobicContact CB-CG 3.89Å; I753-F778 HydrophobicContact CB-CZ 4.2Å; I753-F778 HydrophobicContact CD1-CZ 4.35Å; W768-F778 AromaticContact CD2-CE2 3.82Å; W768-F778 HydrophobicContact CD2-CE2 3.82Å; W768-F778 HydrophobicContact CD2-CZ 4.41Å; W768-F778 AromaticContact CE3-CE2 3.51Å; W768-F778 HydrophobicContact CE3-CE2 3.51Å; W768-F778 AromaticContact CE3-CZ 3.7Å; W768-F778 HydrophobicContact CE3-CZ 3.7Å; W768-F778 HydrophobicContact CH2-CD2 4.19Å; W768-F778 AromaticContact CH2-CE2 3.87Å; W768-F778 HydrophobicContact CH2-CE2 3.87Å; W768-F778 HydrophobicContact CH2-CZ 4.43Å; W768-F778 HydrophobicContact CZ2-CD2 4.37Å; W768-F778 HydrophobicContact CZ2-CE2 4.13Å; W768-F778 HydrophobicContact CZ3-CD2 4.26Å; W768-F778 AromaticContact CZ3-CE2 3.53Å; W768-F778 HydrophobicContact CZ3-CE2 3.53Å; W768-F778 AromaticContact CZ3-CZ 3.71Å; W768-F778 HydrophobicContact CZ3-CZ 3.71Å; A771-F778 HydrophobicContact CB-CE1 4.27Å; A771-F778 HydrophobicContact CB-CE2 4.03Å; A771-F778 HydrophobicContact CB-CZ 3.59Å; K772-F778 HydrophobicContact CB-CD2 3.83Å; K772-F778 HydrophobicContact CB-CE2 3.9Å; K772-F778 HydrophobicContact CG-CD2 4.16Å; R776-F778 PolarHBondContact O-N 3.07Å; R776-F778 VanDerWaalsContact O-N 3.12Å
779L91.4Very high91.1Very high21 Ų2157 Ų5711%0.1130%0.301CS..PPolyproline II helixtrans-69.9143.7174-71.1-175.3000111.1V716 W717 R776 L807 A810 L811V716-L779 HydrophobicContact CG1-CD2 3.84Å; W717-L779 HydrophobicContact CD2-CD2 4.13Å; W717-L779 HydrophobicContact CE3-CD2 3.73Å; W717-L779 HydrophobicContact CE3-CG 4.37Å; W717-L779 HydrophobicContact CZ3-CD1 4.47Å; W717-L779 HydrophobicContact CZ3-CD2 4.09Å; W717-L779 HydrophobicContact CZ3-CG 4.42Å; R776-L779 HydrophobicContact CB-CD1 3.77Å; R776-L779 HydrophobicContact CB-CG 4.1Å; R776-L779 HydrophobicContact CG-CD1 4.34Å; R776-L779 PolarHBondContact O-N 3.41Å; L779-L807 HydrophobicContact CB-CD1 4.41Å; L779-L807 HydrophobicContact CD1-CD1 4.47Å; L779-L807 HydrophobicContact CD2-CD1 4.26Å; L779-A810 HydrophobicContact CD1-CB 3.91Å; L779-A810 HydrophobicContact CD2-CB 4.25Å; L779-L811 HydrophobicContact CD1-CD2 3.69Å; L779-L811 HydrophobicContact CD1-CG 4.12Å
780P90.1Very high91Very high22 Ų2259.2 Ų59.214%0.14331%0.311CS..PPolyproline II helixtrans-73.3155.3169.234-33.8000110.3V716 A719 L807V716-P780 WeakPolarHBondContact O-CD 3.47Å; A719-P780 HydrophobicContact CB-CB 4.06Å; A719-P780 HydrophobicContact CB-CG 3.91Å; P780-L807 HydrophobicContact CG-CD1 3.94Å; P780-L807 HydrophobicContact CG-CD2 3.86Å
781P87.8Confident91.1Very high117 Ų11761.6 Ų61.676%0.7632%0.32SS*.PPolyproline II helixtrans-62.1152.8169.928.1-34.9000111.3
782L90.8Very high91.4Very high40 Ų4061.9 Ų61.921%0.20932%0.321CS..PPolyproline II helixtrans-64139.7172.7-72.2167.9000110.4Y784 L789 L807 L811L782-Y784 PolarHBondContact O-N 3.34Å; L782-L789 HydrophobicContact CD1-CD1 3.95Å; L782-L789 HydrophobicContact CD2-CD1 4.27Å; L782-L807 HydrophobicContact CD2-CD2 4.27Å; L782-L807 HydrophobicContact CD2-CG 4.08Å; L782-L811 HydrophobicContact CD1-CD1 3.86Å; L782-L811 HydrophobicContact CD2-CD1 3.99Å; L782-L811 HydrophobicContact CG-CD1 3.76Å
783P88Confident91.5Very high71 Ų7161.9 Ų61.946%0.46132%0.321SS..SBendtrans-62.4-24.5-178.3-24.434.3000114.8Q804P783-Q804 VanDerWaalsContact CD-OE1 3.28Å; P783-Q804 VanDerWaalsContact CG-OE1 3.24Å
784Y90.2Very high91.5Very high120 Ų12062 Ų6247%0.47132%0.322SS..  trans-127.377.2-177.9-50.8-69.7000110L782 D786 A787 Q792L782-Y784 PolarHBondContact O-N 3.34Å; Y784-D786 PolarHBondContact O-N 3.38Å; Y784-A787 PolarHBondContact O-N 3Å; Y784-Q792 PolarHBondContact O-NE2 3.47Å
785P84.7Confident91.7Very high105 Ų10560 Ų6068%0.68231%0.313SS*.THydrogen-bonded Turntrans-59.5-30.2-173.623.7-34.1000113.5A787P785-A787 VanDerWaalsContact C-N 3.28Å; P785-A787 PolarHBondContact O-N 3.14Å
786D87.2Confident92Very high160 Ų16055 Ų5586%0.85629%0.291SS*.THydrogen-bonded Turntrans-76.7-11.3178.2-45.5-69.3000113.7Y784Y784-D786 PolarHBondContact O-N 3.38Å
787A90.4Very high92.2Very high30 Ų3050.2 Ų50.225%0.24827%0.272CS..SBendtrans-95.9131.2-177.400000111.5Y784 P785 Q792Y784-A787 PolarHBondContact O-N 3Å; P785-A787 VanDerWaalsContact C-N 3.28Å; P785-A787 PolarHBondContact O-N 3.14Å; A787-Q792 HydrophobicContact CB-CG 3.94Å; A787-Q792 PolarHBondContact O-NE2 3.39Å
788P93.5Very high92.6Very high67 Ų6750.2 Ų50.244%0.43528%0.282SS..  trans-64.7141.4-176.527.5-35.2000111.9Q790 R791 Q792P788-Q790 VanDerWaalsContact C-N 3.34Å; P788-Q790 PolarHBondContact O-N 3.13Å; P788-R791 HydrophobicContact CG-CB 4.06Å; P788-R791 WeakPolarHBondContact O-CA 3.44Å; P788-R791 VanDerWaalsContact O-CB 3.28Å; P788-R791 WeakPolarHBondContact O-CB 3.39Å; P788-R791 PolarHBondContact O-N 3.47Å; P788-Q792 PolarHBondContact O-N 3.28Å
789L94.4Very high92.8Very high30 Ų3056.2 Ų56.216%0.15731%0.305CS..Hα-helixtrans-55.9-41.4-167.1179.159.4000113.8L782 R791 Q792 L793 C808 L811 A812L782-L789 HydrophobicContact CD1-CD1 3.95Å; L782-L789 HydrophobicContact CD2-CD1 4.27Å; L789-R791 PolarHBondContact O-N 3.07Å; L789-Q792 PolarHBondContact O-N 3.31Å; L789-L793 WeakPolarHBondContact O-CB 3.32Å; L789-L793 PolarHBondContact O-N 3.1Å; L789-C808 HydrophobicContact CD1-CB 4.03Å; L789-L811 HydrophobicContact CD2-CB 4.02Å; L789-A812 HydrophobicContact CD2-CB 4.24Å
790Q94.7Very high93Very high46 Ų4660.3 Ų60.322%0.21532%0.323CS..Hα-helixtrans-60.7-34.717871.6-81.114.700112.1P788 L793 I794 T816 A819P788-Q790 VanDerWaalsContact C-N 3.34Å; P788-Q790 PolarHBondContact O-N 3.13Å; Q790-L793 PolarHBondContact O-N 3.2Å; Q790-I794 WeakPolarHBondContact O-CB 3.05Å; Q790-I794 WeakPolarHBondContact O-CD1 3.46Å; Q790-I794 WeakPolarHBondContact O-CG1 3.4Å; Q790-I794 PolarHBondContact O-N 3.04Å; Q790-T816 WeakPolarHBondContact CB-O 3.45Å; Q790-A819 HydrophobicContact CB-CB 3.93Å; Q790-A819 HydrophobicContact CG-CB 3.76Å
791R95.2Very high93.3Very high111 Ų11162.5 Ų62.542%0.41933%0.333SS..Hα-helixtrans-68.9-44.5177.3-164.6-176178.8166.93.3110.5P788 L789 I794 D795 Y821P788-R791 HydrophobicContact CG-CB 4.06Å; P788-R791 WeakPolarHBondContact O-CA 3.44Å; P788-R791 VanDerWaalsContact O-CB 3.28Å; P788-R791 WeakPolarHBondContact O-CB 3.39Å; P788-R791 PolarHBondContact O-N 3.47Å; L789-R791 PolarHBondContact O-N 3.07Å; R791-I794 PolarHBondContact O-N 3.17Å; R791-D795 WeakPolarHBondContact O-CB 3.41Å; R791-D795 PolarHBondContact O-N 2.84Å; R791-Y821 HydrophobicContact CB-CE2 4.43Å; R791-Y821 HydrophobicContact CG-CD2 3.9Å; R791-Y821 HydrophobicContact CG-CE1 4.13Å; R791-Y821 HydrophobicContact CG-CE2 3.4Å; R791-Y821 HydrophobicContact CG-CG 4.49Å; R791-Y821 VanDerWaalsContact NE-CZ 3.3Å; R791-Y821 PolarHBondContact NE-OH 3.36Å; R791-Y821 PolarHBondContact NH2-OH 2.84Å
792Q96.2Very high93.7Very high7 Ų758.4 Ų58.43%0.03331%0.306CS..Hα-helixtrans-64-37.8175.7-64.4-169.771.300112.5Y784 A787 P788 L789 A796Y784-Q792 PolarHBondContact O-NE2 3.47Å; A787-Q792 HydrophobicContact CB-CG 3.94Å; A787-Q792 PolarHBondContact O-NE2 3.39Å; P788-Q792 PolarHBondContact O-N 3.28Å; L789-Q792 PolarHBondContact O-N 3.31Å; Q792-A796 VanDerWaalsContact O-CB 3.26Å; Q792-A796 WeakPolarHBondContact O-CB 3.39Å; Q792-A796 PolarHBondContact O-N 3.02Å
793L97Very high93.9Very high1 Ų160.7 Ų60.71%0.00531%0.312CS..Hα-helixtrans-62.8-49.917417759.8000111.7L789 Q790 A796 I797 V805 C808 L809 A829 L845L789-L793 WeakPolarHBondContact O-CB 3.32Å; L789-L793 PolarHBondContact O-N 3.1Å; Q790-L793 PolarHBondContact O-N 3.2Å; L793-A796 PolarHBondContact O-N 3.48Å; L793-I797 HydrophobicContact CD1-CD1 4.05Å; L793-I797 HydrophobicContact CD1-CG1 4.45Å; L793-I797 HydrophobicContact CG-CD1 4.09Å; L793-I797 WeakPolarHBondContact O-CG1 3.35Å; L793-I797 PolarHBondContact O-N 2.69Å; L793-V805 HydrophobicContact CD1-CG1 4.36Å; L793-C808 HydrophobicContact CB-CB 3.87Å; L793-C808 HydrophobicContact CD1-CB 3.74Å; L793-C808 HydrophobicContact CG-CB 4.36Å; L793-L809 HydrophobicContact CD1-CD2 3.94Å; L793-L809 HydrophobicContact CD1-CG 4.02Å; L793-L809 HydrophobicContact CD2-CD2 4.08Å; L793-A829 HydrophobicContact CD2-CB 4.2Å; L793-A829 HydrophobicContact CG-CB 4.39Å; L793-L845 HydrophobicContact CD2-CD2 4.35Å
794I96.5Very high94.3Very high7 Ų757.9 Ų57.94%0.03629%0.293CS..Hα-helixtrans-65.7-43.1-179.7-68.2162.6000111.2Q790 R791 A796 I797 A798 Y821 A829 I832Q790-I794 WeakPolarHBondContact O-CB 3.05Å; Q790-I794 WeakPolarHBondContact O-CD1 3.46Å; Q790-I794 WeakPolarHBondContact O-CG1 3.4Å; Q790-I794 PolarHBondContact O-N 3.04Å; R791-I794 PolarHBondContact O-N 3.17Å; I794-A796 VanDerWaalsContact C-N 3.32Å; I794-A796 PolarHBondContact O-N 3.49Å; I794-I797 PolarHBondContact O-N 2.79Å; I794-A798 WeakPolarHBondContact O-CB 3.24Å; I794-A798 PolarHBondContact O-N 2.89Å; I794-Y821 HydrophobicContact CB-CD2 3.73Å; I794-Y821 HydrophobicContact CB-CE2 4.23Å; I794-Y821 HydrophobicContact CD1-CD2 4.03Å; I794-Y821 HydrophobicContact CG1-CD2 4.49Å; I794-Y821 HydrophobicContact CG2-CD2 3.45Å; I794-Y821 VanDerWaalsContact CG2-CD2 3.45Å; I794-Y821 HydrophobicContact CG2-CE2 3.97Å; I794-Y821 HydrophobicContact CG2-CG 4.42Å; I794-A829 HydrophobicContact CG1-CB 3.92Å; I794-I832 HydrophobicContact CG2-CG1 3.88Å
795D95.8Very high94.6Very high33 Ų3352.3 Ų52.318%0.17627%0.271CS..Hα-helixtrans-56.9-43.2172.7-93.111.3000111.9R791 A798 R799 Y821R791-D795 WeakPolarHBondContact O-CB 3.41Å; R791-D795 PolarHBondContact O-N 2.84Å; D795-A798 PolarHBondContact O-N 3.41Å; D795-R799 VanDerWaalsContact CG-NH2 3.34Å; D795-R799 WeakPolarHBondContact O-CG 3.47Å; D795-R799 PolarHBondContact O-N 2.76Å; D795-R799 IonicContact OD2-CZ 3.87Å; D795-R799 IonicContact OD2-NH2 3.03Å; D795-R799 PolarHBondContact OD2-NH2 3.07Å; D795-Y821 WeakPolarHBondContact OD1-CE2 3.4Å; D795-Y821 PolarHBondContact OD1-OH 2.94Å
796A96.6Very high95.2Very high0 Ų047.8 Ų47.80%024%0.241CC..Hα-helixtrans-67.4-42.1178.700000112.3Q792 L793 I794 A798 R799 Q800 D801 Q804 V805Q792-A796 VanDerWaalsContact O-CB 3.26Å; Q792-A796 WeakPolarHBondContact O-CB 3.39Å; Q792-A796 PolarHBondContact O-N 3.02Å; L793-A796 PolarHBondContact O-N 3.48Å; I794-A796 VanDerWaalsContact C-N 3.32Å; I794-A796 PolarHBondContact O-N 3.49Å; A796-A798 VanDerWaalsContact C-N 3.34Å; A796-R799 PolarHBondContact O-N 3.06Å; A796-Q800 PolarHBondContact O-N 2.89Å; A796-D801 PolarHBondContact O-N 2.68Å; A796-Q804 HydrophobicContact CB-CB 3.82Å; A796-Q804 HydrophobicContact CB-CG 3.68Å; A796-V805 HydrophobicContact CB-CG2 3.73Å
797I97.1Very high95.6Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-58.9-46.3172.2-71.2167.6000110.2L793 I794 R799 Q800 V805 A829 I832 A833 L836 Y841 L845L793-I797 HydrophobicContact CD1-CD1 4.05Å; L793-I797 HydrophobicContact CD1-CG1 4.45Å; L793-I797 HydrophobicContact CG-CD1 4.09Å; L793-I797 WeakPolarHBondContact O-CG1 3.35Å; L793-I797 PolarHBondContact O-N 2.69Å; I794-I797 PolarHBondContact O-N 2.79Å; I797-R799 VanDerWaalsContact C-N 3.32Å; I797-R799 PolarHBondContact O-N 3.25Å; I797-Q800 PolarHBondContact O-N 2.89Å; I797-V805 HydrophobicContact CG1-CG2 3.75Å; I797-A829 HydrophobicContact CD1-CB 3.76Å; I797-I832 HydrophobicContact CG2-CB 4.21Å; I797-I832 HydrophobicContact CG2-CG2 3.87Å; I797-A833 HydrophobicContact CG2-CB 4.23Å; I797-L836 HydrophobicContact CG2-CD1 3.93Å; I797-L836 WeakPolarHBondContact O-CD1 3.39Å; I797-Y841 HydrophobicContact CB-CD2 4.43Å; I797-Y841 HydrophobicContact CG1-CD2 4.25Å; I797-Y841 HydrophobicContact CG2-CD2 4.05Å; I797-L845 HydrophobicContact CD1-CD1 4.14Å; I797-L845 HydrophobicContact CD1-CD2 4.34Å
798A96.2Very high95.9Very high56 Ų5638.8 Ų38.846%0.46319%0.189SC..Hα-helixtrans-63.4-33.9179.500000113.3I794 D795 A796 Q800 I832I794-A798 WeakPolarHBondContact O-CB 3.24Å; I794-A798 PolarHBondContact O-N 2.89Å; D795-A798 PolarHBondContact O-N 3.41Å; A796-A798 VanDerWaalsContact C-N 3.34Å; A798-Q800 VanDerWaalsContact C-N 3.35Å; A798-I832 HydrophobicContact CB-CG2 4.39Å
799R96Very high96Very high137 Ų13735.8 Ų35.852%0.51717%0.169SC..Hα-helixtrans-81.7-10.2173.3-65.7176.6-156.5118.39.6114D795 A796 I797 D801D795-R799 VanDerWaalsContact CG-NH2 3.34Å; D795-R799 WeakPolarHBondContact O-CG 3.47Å; D795-R799 PolarHBondContact O-N 2.76Å; D795-R799 IonicContact OD2-CZ 3.87Å; D795-R799 IonicContact OD2-NH2 3.03Å; D795-R799 PolarHBondContact OD2-NH2 3.07Å; A796-R799 PolarHBondContact O-N 3.06Å; I797-R799 VanDerWaalsContact C-N 3.32Å; I797-R799 PolarHBondContact O-N 3.25Å; R799-D801 HydrophobicContact CB-CB 4.49Å; R799-D801 PolarHBondContact O-N 3.15Å
800Q95.2Very high96Very high107 Ų10734.4 Ų34.450%0.516%0.162SC..THydrogen-bonded Turntrans56.134.9-168.6-51.4-172.13700113.7A796 I797 A798 T802 L836 Y841A796-Q800 PolarHBondContact O-N 2.89Å; I797-Q800 PolarHBondContact O-N 2.89Å; A798-Q800 VanDerWaalsContact C-N 3.35Å; Q800-T802 PolarHBondContact O-N 3.02Å; Q800-T802 VanDerWaalsContact O-N 3.15Å; Q800-L836 HydrophobicContact CG-CD1 4.47Å; Q800-Y841 WeakPolarHBondContact CA-OH 3.5Å; Q800-Y841 HydrophobicContact CB-CE2 4.41Å; Q800-Y841 HydrophobicContact CG-CE2 4.47Å; Q800-Y841 PolarHBondContact O-OH 3.48Å; Q800-Y841 VanDerWaalsContact O-OH 3.13Å
801D96.1Very high95.9Very high67 Ų6734.9 Ų34.936%0.35817%0.166SC..  trans-82.886.4173.6-176.9-14000110A796 R799 R803 Q804 V805A796-D801 PolarHBondContact O-N 2.68Å; R799-D801 HydrophobicContact CB-CB 4.49Å; R799-D801 PolarHBondContact O-N 3.15Å; D801-R803 PolarHBondContact O-N 3.31Å; D801-R803 WeakPolarHBondContact OD1-CB 3.48Å; D801-R803 PolarHBondContact OD1-N 3.34Å; D801-Q804 HydrophobicContact CB-CB 4.08Å; D801-Q804 VanDerWaalsContact CG-CB 3.44Å; D801-Q804 PolarHBondContact O-N 3.03Å; D801-Q804 PolarHBondContact OD1-N 3.09Å; D801-Q804 WeakPolarHBondContact OD2-CB 3.16Å; D801-V805 WeakPolarHBondContact O-CG2 3.28Å; D801-V805 PolarHBondContact O-N 3.3Å
802T95.8Very high95.8Very high31 Ų3130.4 Ų30.419%0.1915%0.153CC..Hα-helixtrans-57.3-30.3179.1-56.20000112.6I708 L712 Q800 I806 Y841I708-T802 HydrophobicContact CG1-CG2 4.36Å; L712-T802 HydrophobicContact CD2-CG2 3.69Å; Q800-T802 PolarHBondContact O-N 3.02Å; Q800-T802 VanDerWaalsContact O-N 3.15Å; T802-I806 HydrophobicContact CG2-CD1 4.02Å; T802-I806 HydrophobicContact CG2-CG1 4.47Å; T802-I806 WeakPolarHBondContact O-CD1 3.38Å; T802-I806 VanDerWaalsContact O-CG1 3.23Å; T802-I806 WeakPolarHBondContact O-CG1 3.46Å; T802-I806 PolarHBondContact O-N 3.48Å; T802-Y841 HydrophobicContact CG2-CE1 4.3Å; T802-Y841 PolarHBondContact N-OH 3.38Å; T802-Y841 PolarHBondContact OG1-OH 3.07Å
803R96Very high95.6Very high88 Ų8833 Ų3333%0.33217%0.169SC..Hα-helixtrans-68.6-47.3178-168.9-178.9170.2-88.9-2.1110.6L712 S715 V716 D801 I806 L807L712-R803 HydrophobicContact CD1-CB 4.1Å; L712-R803 HydrophobicContact CD1-CG 4.35Å; S715-R803 VanDerWaalsContact O-CZ 3.3Å; S715-R803 PolarHBondContact O-NE 3.23Å; S715-R803 PolarHBondContact O-NH2 3.46Å; S715-R803 PolarHBondContact OG-NE 3.01Å; V716-R803 HydrophobicContact CG2-CG 3.44Å; V716-R803 VanDerWaalsContact CG2-CG 3.44Å; D801-R803 PolarHBondContact O-N 3.31Å; D801-R803 WeakPolarHBondContact OD1-CB 3.48Å; D801-R803 PolarHBondContact OD1-N 3.34Å; R803-I806 PolarHBondContact O-N 3.46Å; R803-L807 PolarHBondContact O-N 2.98Å
804Q95.5Very high95.4Very high13 Ų1335.6 Ų35.66%0.06119%0.186CC..Hα-helixtrans-70.4-31.6177-17259.252.100112.2P783 A796 D801 L807 C808P783-Q804 VanDerWaalsContact CD-OE1 3.28Å; P783-Q804 VanDerWaalsContact CG-OE1 3.24Å; A796-Q804 HydrophobicContact CB-CB 3.82Å; A796-Q804 HydrophobicContact CB-CG 3.68Å; D801-Q804 HydrophobicContact CB-CB 4.08Å; D801-Q804 VanDerWaalsContact CG-CB 3.44Å; D801-Q804 PolarHBondContact O-N 3.03Å; D801-Q804 PolarHBondContact OD1-N 3.09Å; D801-Q804 WeakPolarHBondContact OD2-CB 3.16Å; Q804-L807 PolarHBondContact O-N 3.31Å; Q804-C808 PolarHBondContact NE2-SG 3.18Å; Q804-C808 WeakPolarHBondContact O-CB 3.44Å; Q804-C808 PolarHBondContact O-N 2.76Å; Q804-C808 PolarHBondContact O-SG 2.79Å; Q804-C808 VanDerWaalsContact O-SG 3.34Å
805V97Very high95.2Very high2 Ų241.7 Ų41.71%0.01221%0.214CC..Hα-helixtrans-62.1-47.6171.2171.30000111L793 A796 I797 D801 L807 C808 L809 Y841L793-V805 HydrophobicContact CD1-CG1 4.36Å; A796-V805 HydrophobicContact CB-CG2 3.73Å; I797-V805 HydrophobicContact CG1-CG2 3.75Å; D801-V805 WeakPolarHBondContact O-CG2 3.28Å; D801-V805 PolarHBondContact O-N 3.3Å; V805-L807 VanDerWaalsContact C-N 3.34Å; V805-L807 PolarHBondContact O-N 3.49Å; V805-C808 PolarHBondContact O-N 3.01Å; V805-L809 HydrophobicContact CG1-CD1 3.82Å; V805-L809 HydrophobicContact CG1-CG 4.3Å; V805-L809 WeakPolarHBondContact O-CB 3.47Å; V805-L809 VanDerWaalsContact O-CG 3.3Å; V805-L809 WeakPolarHBondContact O-CG 3.25Å; V805-L809 PolarHBondContact O-N 3.06Å; V805-Y841 HydrophobicContact CG1-CD1 4.3Å; V805-Y841 HydrophobicContact CG1-CE1 4.39Å; V805-Y841 HydrophobicContact CG2-CE1 4.43Å; V805-Y841 HydrophobicContact CG2-CE2 4.47Å
806I96.6Very high95.1Very high11 Ų1141.5 Ų41.56%0.05622%0.215CC..Hα-helixtrans-60-44.5176.1-66.8162.3000110.6I708 L712 V716 T802 R803 L809 A810I708-I806 HydrophobicContact CD1-CD1 3.99Å; I708-I806 HydrophobicContact CD1-CG1 4.33Å; I708-I806 HydrophobicContact CG1-CD1 4.07Å; I708-I806 HydrophobicContact CG2-CD1 3.78Å; L712-I806 HydrophobicContact CD2-CD1 4.05Å; L712-I806 HydrophobicContact CG-CD1 4.22Å; V716-I806 HydrophobicContact CB-CG2 4.18Å; V716-I806 HydrophobicContact CG1-CG2 4.12Å; V716-I806 HydrophobicContact CG2-CB 4.35Å; V716-I806 HydrophobicContact CG2-CG2 4.2Å; T802-I806 HydrophobicContact CG2-CD1 4.02Å; T802-I806 HydrophobicContact CG2-CG1 4.47Å; T802-I806 WeakPolarHBondContact O-CD1 3.38Å; T802-I806 VanDerWaalsContact O-CG1 3.23Å; T802-I806 WeakPolarHBondContact O-CG1 3.46Å; T802-I806 PolarHBondContact O-N 3.48Å; R803-I806 PolarHBondContact O-N 3.46Å; I806-L809 PolarHBondContact O-N 3.47Å; I806-A810 VanDerWaalsContact O-CB 3.26Å; I806-A810 WeakPolarHBondContact O-CB 3.49Å; I806-A810 PolarHBondContact O-N 2.84Å
807L96.2Very high95.1Very high1 Ų141.6 Ų41.61%0.00522%0.215CC..Hα-helixtrans-61.8-44.5177.8178.656.4000112.6V716 L779 P780 L782 R803 Q804 V805 A810 L811V716-L807 HydrophobicContact CG1-CB 3.89Å; V716-L807 HydrophobicContact CG1-CD1 4.05Å; L779-L807 HydrophobicContact CB-CD1 4.41Å; L779-L807 HydrophobicContact CD1-CD1 4.47Å; L779-L807 HydrophobicContact CD2-CD1 4.26Å; P780-L807 HydrophobicContact CG-CD1 3.94Å; P780-L807 HydrophobicContact CG-CD2 3.86Å; L782-L807 HydrophobicContact CD2-CD2 4.27Å; L782-L807 HydrophobicContact CD2-CG 4.08Å; R803-L807 PolarHBondContact O-N 2.98Å; Q804-L807 PolarHBondContact O-N 3.31Å; V805-L807 VanDerWaalsContact C-N 3.34Å; V805-L807 PolarHBondContact O-N 3.49Å; L807-A810 PolarHBondContact O-N 2.65Å; L807-L811 HydrophobicContact CD1-CD1 4.49Å; L807-L811 PolarHBondContact O-N 3.35Å
808C96.2Very high95Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-64.7-44.9176.8-740000111.7L789 L793 Q804 V805 A810 L811 A812L789-C808 HydrophobicContact CD1-CB 4.03Å; L793-C808 HydrophobicContact CB-CB 3.87Å; L793-C808 HydrophobicContact CD1-CB 3.74Å; L793-C808 HydrophobicContact CG-CB 4.36Å; Q804-C808 PolarHBondContact NE2-SG 3.18Å; Q804-C808 WeakPolarHBondContact O-CB 3.44Å; Q804-C808 PolarHBondContact O-N 2.76Å; Q804-C808 PolarHBondContact O-SG 2.79Å; Q804-C808 VanDerWaalsContact O-SG 3.34Å; V805-C808 PolarHBondContact O-N 3.01Å; C808-A810 VanDerWaalsContact C-N 3.34Å; C808-A810 PolarHBondContact O-N 3.08Å; C808-L811 PolarHBondContact O-N 2.69Å; C808-L811 VanDerWaalsContact O-N 3.17Å; C808-A812 WeakPolarHBondContact O-CB 3.43Å; C808-A812 PolarHBondContact O-N 3.26Å
809L96Very high94.9Very high3 Ų342.1 Ų42.12%0.01621%0.214CC..Hα-helixtrans-65.8-35177.9-68.8176.6000112.6L793 V805 I806 L811 A812 V817 L844 L845 Y848L793-L809 HydrophobicContact CD1-CD2 3.94Å; L793-L809 HydrophobicContact CD1-CG 4.02Å; L793-L809 HydrophobicContact CD2-CD2 4.08Å; V805-L809 HydrophobicContact CG1-CD1 3.82Å; V805-L809 HydrophobicContact CG1-CG 4.3Å; V805-L809 WeakPolarHBondContact O-CB 3.47Å; V805-L809 VanDerWaalsContact O-CG 3.3Å; V805-L809 WeakPolarHBondContact O-CG 3.25Å; V805-L809 PolarHBondContact O-N 3.06Å; I806-L809 PolarHBondContact O-N 3.47Å; L809-L811 PolarHBondContact O-N 3.2Å; L809-A812 PolarHBondContact O-N 2.92Å; L809-V817 HydrophobicContact CD2-CG2 4.39Å; L809-L844 HydrophobicContact CD1-CB 3.93Å; L809-L845 HydrophobicContact CD2-CD2 4.13Å; L809-Y848 HydrophobicContact CB-CD1 4.23Å; L809-Y848 HydrophobicContact CB-CD2 4.13Å; L809-Y848 HydrophobicContact CB-CE1 4.33Å; L809-Y848 HydrophobicContact CB-CE2 4.24Å; L809-Y848 HydrophobicContact CB-CG 4.15Å; L809-Y848 HydrophobicContact CD1-CD2 4.02Å; L809-Y848 HydrophobicContact CD1-CE2 4.35Å; L809-Y848 HydrophobicContact CD2-CD2 4.4Å; L809-Y848 HydrophobicContact CD2-CG 4.19Å; L809-Y848 HydrophobicContact CG-CD2 4.42Å; L809-Y848 WeakPolarHBondContact O-CD1 3.46Å; L809-Y848 WeakPolarHBondContact O-CE1 3.18Å
810A94.3Very high94.8Very high2 Ų237.3 Ų37.32%0.01720%0.204CC..Hα-helixtrans-61.5-23.6174.300000113.2W717 R776 L779 I806 L807 C808W717-A810 HydrophobicContact CH2-CB 3.49Å; W717-A810 VanDerWaalsContact CH2-CB 3.49Å; W717-A810 HydrophobicContact CZ2-CB 3.51Å; W717-A810 HydrophobicContact CZ3-CB 4.2Å; R776-A810 WeakPolarHBondContact CD-O 3.32Å; R776-A810 PolarHBondContact NE-O 2.88Å; R776-A810 VanDerWaalsContact NE-O 3.13Å; R776-A810 PolarHBondContact NH1-O 2.81Å; R776-A810 VanDerWaalsContact NH1-O 3.1Å; R776-A810 PolarHBondContact NH2-O 2.93Å; L779-A810 HydrophobicContact CD1-CB 3.91Å; L779-A810 HydrophobicContact CD2-CB 4.25Å; I806-A810 VanDerWaalsContact O-CB 3.26Å; I806-A810 WeakPolarHBondContact O-CB 3.49Å; I806-A810 PolarHBondContact O-N 2.84Å; L807-A810 PolarHBondContact O-N 2.65Å; C808-A810 VanDerWaalsContact C-N 3.34Å; C808-A810 PolarHBondContact O-N 3.08Å
811L92.8Very high94.6Very high56 Ų5634.3 Ų34.329%0.29319%0.188SC..Hα-helixtrans-101.8-17.1177.4-65.1176.5000113.8L779 L782 L789 L807 C808 L809L779-L811 HydrophobicContact CD1-CD2 3.69Å; L779-L811 HydrophobicContact CD1-CG 4.12Å; L782-L811 HydrophobicContact CD1-CD1 3.86Å; L782-L811 HydrophobicContact CD2-CD1 3.99Å; L782-L811 HydrophobicContact CG-CD1 3.76Å; L789-L811 HydrophobicContact CD2-CB 4.02Å; L807-L811 HydrophobicContact CD1-CD1 4.49Å; L807-L811 PolarHBondContact O-N 3.35Å; C808-L811 PolarHBondContact O-N 2.69Å; C808-L811 VanDerWaalsContact O-N 3.17Å; L809-L811 PolarHBondContact O-N 3.2Å
812A92.9Very high94.4Very high16 Ų1633.1 Ų33.113%0.13219%0.185CC..  trans-70.5151.1-168.300000114.9L789 C808 L809 V817L789-A812 HydrophobicContact CD2-CB 4.24Å; C808-A812 WeakPolarHBondContact O-CB 3.43Å; C808-A812 PolarHBondContact O-N 3.26Å; L809-A812 PolarHBondContact O-N 2.92Å; A812-V817 HydrophobicContact CB-CG2 3.64Å
813T92.6Very high93.9Very high61 Ų6139.9 Ų39.937%0.37422%0.219SC..  trans-108.2160.7164.9790000110.2E815 T816 V817T813-E815 WeakPolarHBondContact CB-OE2 3.45Å; T813-E815 PolarHBondContact O-N 2.81Å; T813-E815 VanDerWaalsContact O-N 3.12Å; T813-E815 PolarHBondContact OG1-OE2 2.93Å; T813-T816 PolarHBondContact N-OG1 3.38Å; T813-T816 PolarHBondContact O-N 2.87Å; T813-T816 PolarHBondContact O-OG1 3.12Å; T813-T816 PolarHBondContact OG1-N 2.59Å; T813-V817 PolarHBondContact O-N 3.07Å
814P92.2Very high93.5Very high57 Ų5743 Ų4337%0.3724%0.237SC..Hα-helixtrans-53.8-33.6178.6-25.935.4000113.7N818 N849P814-N818 WeakPolarHBondContact O-CB 3.4Å; P814-N818 PolarHBondContact O-N 3.27Å; P814-N818 PolarHBondContact O-ND2 2.94Å; P814-N849 HydrophobicContact CB-CB 3.93Å; P814-N849 HydrophobicContact CG-CB 3.89Å
815E92.6Very high93.2Very high134 Ų13443.9 Ų43.963%0.62624%0.243SC*.Hα-helixtrans-66.1-43.9176.6-55.470.4-150.700110.8T813 A819T813-E815 WeakPolarHBondContact CB-OE2 3.45Å; T813-E815 PolarHBondContact O-N 2.81Å; T813-E815 VanDerWaalsContact O-N 3.12Å; T813-E815 PolarHBondContact OG1-OE2 2.93Å; E815-A819 VanDerWaalsContact O-CB 3.31Å; E815-A819 WeakPolarHBondContact O-CB 3.31Å; E815-A819 PolarHBondContact O-N 3.14Å
816T94Very high92.9Very high30 Ų3045 Ų4518%0.18425%0.25CC..Hα-helixtrans-72.8-29.3178.961.30000113.9Q790 T813Q790-T816 WeakPolarHBondContact CB-O 3.45Å; T813-T816 PolarHBondContact N-OG1 3.38Å; T813-T816 PolarHBondContact O-N 2.87Å; T813-T816 PolarHBondContact O-OG1 3.12Å; T813-T816 PolarHBondContact OG1-N 2.59Å
817V95.1Very high92.7Very high2 Ų248.5 Ų48.51%0.01226%0.262CS..Hα-helixtrans-71.1-35.3176.3177.10000111.3L809 A812 T813 L845 Y848L809-V817 HydrophobicContact CD2-CG2 4.39Å; A812-V817 HydrophobicContact CB-CG2 3.64Å; T813-V817 PolarHBondContact O-N 3.07Å; V817-L845 HydrophobicContact CG1-CD2 3.72Å; V817-Y848 WeakPolarHBondContact CG2-O 3.17Å
818N95.1Very high92.6Very high37 Ų3748.6 Ų48.620%0.19826%0.263CS..Hα-helixtrans-94.6-6.6-177.8-66.1-59.1000114.2P814 A828 N849 G850 D851 V854P814-N818 WeakPolarHBondContact O-CB 3.4Å; P814-N818 PolarHBondContact O-N 3.27Å; P814-N818 PolarHBondContact O-ND2 2.94Å; N818-A828 WeakPolarHBondContact O-CB 3.24Å; N818-N849 PolarHBondContact ND2-O 3.47Å; N818-G850 WeakPolarHBondContact OD1-CA 3.42Å; N818-D851 PolarHBondContact OD1-N 2.72Å; N818-V854 HydrophobicContact CB-CG2 4.14Å
819A94.1Very high92.6Very high29 Ų2948.6 Ų48.624%0.2426%0.263CS..  trans-68.2144.6177.400000112.5Q790 E815 A828Q790-A819 HydrophobicContact CB-CB 3.93Å; Q790-A819 HydrophobicContact CG-CB 3.76Å; E815-A819 VanDerWaalsContact O-CB 3.31Å; E815-A819 WeakPolarHBondContact O-CB 3.31Å; E815-A819 PolarHBondContact O-N 3.14Å; A819-A828 WeakPolarHBondContact O-CA 3.5Å; A819-A828 WeakPolarHBondContact O-CB 3.32Å
820A93.7Very high92.6Very high36 Ų3648.6 Ų48.630%0.29826%0.263SS..BIsolated β-bridgetrans-65.8158.9170.300000112.8P826A820-P826 WeakPolarHBondContact CB-O 3.37Å
821Y92.9Very high92.7Very high45 Ų4548.5 Ų48.518%0.17626%0.263CS..SBendtrans-61.2-45.9175.4-170-97.6000112.6R791 I794 D795 D825 R827R791-Y821 HydrophobicContact CB-CE2 4.43Å; R791-Y821 HydrophobicContact CG-CD2 3.9Å; R791-Y821 HydrophobicContact CG-CE1 4.13Å; R791-Y821 HydrophobicContact CG-CE2 3.4Å; R791-Y821 HydrophobicContact CG-CG 4.49Å; R791-Y821 VanDerWaalsContact NE-CZ 3.3Å; R791-Y821 PolarHBondContact NE-OH 3.36Å; R791-Y821 PolarHBondContact NH2-OH 2.84Å; I794-Y821 HydrophobicContact CB-CD2 3.73Å; I794-Y821 HydrophobicContact CB-CE2 4.23Å; I794-Y821 HydrophobicContact CD1-CD2 4.03Å; I794-Y821 HydrophobicContact CG1-CD2 4.49Å; I794-Y821 HydrophobicContact CG2-CD2 3.45Å; I794-Y821 VanDerWaalsContact CG2-CD2 3.45Å; I794-Y821 HydrophobicContact CG2-CE2 3.97Å; I794-Y821 HydrophobicContact CG2-CG 4.42Å; D795-Y821 WeakPolarHBondContact OD1-CE2 3.4Å; D795-Y821 PolarHBondContact OD1-OH 2.94Å; Y821-D825 WeakPolarHBondContact CB-O 3.36Å; Y821-D825 HydrophobicContact CD1-CB 4.07Å; Y821-D825 HydrophobicContact CG-CB 4.45Å; Y821-D825 PolarHBondContact N-O 3.1Å; Y821-R827 PolarHBondContact N-O 2.69Å
822S90.5Very high92.8Very high42 Ų4246.5 Ų46.529%0.29425%0.252SS..  trans-158.5-173.5171.278.90000111.6Q824 D825S822-Q824 PolarHBondContact O-N 3.13Å; S822-Q824 PolarHBondContact OG-N 3.41Å; S822-Q824 PolarHBondContact OG-OE1 3.07Å; S822-D825 PolarHBondContact N-O 2.69Å; S822-D825 CarbonylContact O-C 3.42Å; S822-D825 PolarHBondContact OG-N 3.18Å; S822-D825 VanDerWaalsContact OG-N 3.07Å
823L85.2Confident93Very high173 Ų17345.7 Ų45.791%0.90625%0.245SC*.SBendtrans-72.1-16.4169.4-65.1174.8000113
824Q87.2Confident93.2Very high152 Ų15242.8 Ų42.871%0.7123%0.228SC*.SBendtrans-97.1-30.8177.5-57.181.79.500112.3S822S822-Q824 PolarHBondContact O-N 3.13Å; S822-Q824 PolarHBondContact OG-N 3.41Å; S822-Q824 PolarHBondContact OG-OE1 3.07Å
825D89.4Confident93.3Very high33 Ų3342.1 Ų42.118%0.17622%0.222CC..  trans-117.197.1172.9-173.4-7.3000110Y821 S822 R827Y821-D825 WeakPolarHBondContact CB-O 3.36Å; Y821-D825 HydrophobicContact CD1-CB 4.07Å; Y821-D825 HydrophobicContact CG-CB 4.45Å; Y821-D825 PolarHBondContact N-O 3.1Å; S822-D825 PolarHBondContact N-O 2.69Å; S822-D825 CarbonylContact O-C 3.42Å; S822-D825 PolarHBondContact OG-N 3.18Å; S822-D825 VanDerWaalsContact OG-N 3.07Å; D825-R827 PolarHBondContact O-N 2.93Å; D825-R827 WeakPolarHBondContact OD1-CB 3.29Å; D825-R827 VanDerWaalsContact OD1-CG 3.32Å; D825-R827 WeakPolarHBondContact OD1-CG 3.47Å; D825-R827 IonicContact OD1-CZ 2.77Å; D825-R827 PolarHBondContact OD1-N 3.24Å; D825-R827 IonicContact OD1-NE 3.74Å; D825-R827 PolarHBondContact OD1-NE 2.97Å; D825-R827 IonicContact OD1-NH2 2.71Å; D825-R827 IonicContact OD2-CZ 3.24Å; D825-R827 IonicContact OD2-NE 2.86Å; D825-R827 PolarHBondContact OD2-NE 3.28Å; D825-R827 IonicContact OD2-NH2 2.76Å; D825-R827 PolarHBondContact OD2-NH2 3.42Å
826P90.8Very high93.5Very high25 Ų2538.8 Ų38.816%0.16221%0.208CC..  trans-78.14.9-173.228.4-28.6000113.5A820 A828 D856 H857A820-P826 WeakPolarHBondContact CB-O 3.37Å; P826-A828 PolarHBondContact O-N 2.87Å; P826-D856 HydrophobicContact CB-CB 4.17Å; P826-D856 HydrophobicContact CG-CB 4.19Å; P826-H857 HydrophobicContact CB-CB 4.11Å; P826-H857 HydrophobicContact CG-CB 4.09Å; P826-H857 WeakPolarHBondContact CG-CD2 3.21Å; P826-H857 WeakPolarHBondContact CG-NE2 3.39Å
827R93.1Very high93.5Very high85 Ų8538.5 Ų38.532%0.32121%0.212SC..  trans-77.6107.6-177.2-62.7176.6-62.2162.24.5110.9Y821 D825 H831 I832Y821-R827 PolarHBondContact N-O 2.69Å; D825-R827 PolarHBondContact O-N 2.93Å; D825-R827 WeakPolarHBondContact OD1-CB 3.29Å; D825-R827 VanDerWaalsContact OD1-CG 3.32Å; D825-R827 WeakPolarHBondContact OD1-CG 3.47Å; D825-R827 IonicContact OD1-CZ 2.77Å; D825-R827 PolarHBondContact OD1-N 3.24Å; D825-R827 IonicContact OD1-NE 3.74Å; D825-R827 PolarHBondContact OD1-NE 2.97Å; D825-R827 IonicContact OD1-NH2 2.71Å; D825-R827 IonicContact OD2-CZ 3.24Å; D825-R827 IonicContact OD2-NE 2.86Å; D825-R827 PolarHBondContact OD2-NE 3.28Å; D825-R827 IonicContact OD2-NH2 2.76Å; D825-R827 PolarHBondContact OD2-NH2 3.42Å; R827-H831 HydrophobicContact CB-CB 4.2Å; R827-I832 HydrophobicContact CB-CD1 3.75Å; R827-I832 HydrophobicContact CB-CG1 4.35Å; R827-I832 HydrophobicContact CG-CD1 4.36Å
828A94.8Very high93.5Very high2 Ų239.9 Ų39.92%0.01722%0.219CC..BIsolated β-bridgetrans-63.9163.3163.700000113N818 A819 P826 I830 H831 V854N818-A828 WeakPolarHBondContact O-CB 3.24Å; A819-A828 WeakPolarHBondContact O-CA 3.5Å; A819-A828 WeakPolarHBondContact O-CB 3.32Å; P826-A828 PolarHBondContact O-N 2.87Å; A828-I830 VanDerWaalsContact C-N 3.26Å; A828-I830 PolarHBondContact O-N 3.36Å; A828-I830 VanDerWaalsContact O-N 3.13Å; A828-H831 PolarHBondContact N-ND1 2.89Å; A828-H831 WeakPolarHBondContact O-CB 2.99Å; A828-H831 PolarHBondContact O-N 3.05Å; A828-V854 HydrophobicContact CB-CG1 4.15Å
829A96.3Very high93.4Very high1 Ų140.1 Ų40.11%0.00822%0.22CC..Hα-helixtrans-50.6-39.4-175.800000114.8L793 I794 I797 H831 I832 A833 L845L793-A829 HydrophobicContact CD2-CB 4.2Å; L793-A829 HydrophobicContact CG-CB 4.39Å; I794-A829 HydrophobicContact CG1-CB 3.92Å; I797-A829 HydrophobicContact CD1-CB 3.76Å; A829-H831 VanDerWaalsContact C-N 3.33Å; A829-H831 PolarHBondContact O-N 3.03Å; A829-I832 PolarHBondContact O-N 3.48Å; A829-A833 PolarHBondContact O-N 2.87Å; A829-L845 HydrophobicContact CB-CD1 4.2Å; A829-L845 HydrophobicContact CB-CD2 3.82Å
830I95.9Very high93.5Very high3 Ų339.7 Ų39.72%0.01521%0.214CC..Hα-helixtrans-65-33.2-179.4-163.2168.6000113.1A828 A834 L842 L845 L846 P852 A862 L878A828-I830 VanDerWaalsContact C-N 3.26Å; A828-I830 PolarHBondContact O-N 3.36Å; A828-I830 VanDerWaalsContact O-N 3.13Å; I830-A834 VanDerWaalsContact O-CB 3.23Å; I830-A834 WeakPolarHBondContact O-CB 3.41Å; I830-A834 PolarHBondContact O-N 2.87Å; I830-L842 HydrophobicContact CG1-CD2 3.81Å; I830-L845 HydrophobicContact CB-CD1 4.37Å; I830-L846 HydrophobicContact CD1-CD2 4.26Å; I830-P852 HydrophobicContact CD1-CB 4.36Å; I830-A862 HydrophobicContact CD1-CB 4.32Å; I830-A862 HydrophobicContact CG1-CB 3.92Å; I830-A862 HydrophobicContact CG2-CB 4.35Å; I830-L878 HydrophobicContact CD1-CD2 4.22Å
831H95.5Very high93.6Very high0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-66.9-39.2174.9-57.3121.6000111.8R827 A828 A829 T835 V854 R860 Y865R827-H831 HydrophobicContact CB-CB 4.2Å; A828-H831 PolarHBondContact N-ND1 2.89Å; A828-H831 WeakPolarHBondContact O-CB 2.99Å; A828-H831 PolarHBondContact O-N 3.05Å; A829-H831 VanDerWaalsContact C-N 3.33Å; A829-H831 PolarHBondContact O-N 3.03Å; H831-T835 WeakPolarHBondContact O-CB 3.48Å; H831-T835 PolarHBondContact O-N 2.82Å; H831-T835 PolarHBondContact O-OG1 2.82Å; H831-V854 PolarHBondContact NE2-O 2.76Å; H831-R860 PolarHBondContact NE2-O 3.45Å; H831-Y865 HydrophobicContact CB-CD2 3.81Å; H831-Y865 HydrophobicContact CB-CE2 3.92Å; H831-Y865 HydrophobicContact CB-CG 4.32Å; H831-Y865 AromaticContact CD2-CD2 3.53Å; H831-Y865 AromaticContact CD2-CE2 3.63Å; H831-Y865 AromaticContact CG-CD2 3.94Å; H831-Y865 AromaticContact CG-CE2 3.86Å
832I96Very high93.8Very high13 Ų1336 Ų367%0.06719%0.193CC..Hα-helixtrans-71.8-44.5-179.9-53.4-54.6000110.3I794 I797 A798 R827 A829 A834 T835 L836I794-I832 HydrophobicContact CG2-CG1 3.88Å; I797-I832 HydrophobicContact CG2-CB 4.21Å; I797-I832 HydrophobicContact CG2-CG2 3.87Å; A798-I832 HydrophobicContact CB-CG2 4.39Å; R827-I832 HydrophobicContact CB-CD1 3.75Å; R827-I832 HydrophobicContact CB-CG1 4.35Å; R827-I832 HydrophobicContact CG-CD1 4.36Å; A829-I832 PolarHBondContact O-N 3.48Å; I832-A834 VanDerWaalsContact C-N 3.31Å; I832-A834 PolarHBondContact O-N 2.89Å; I832-T835 WeakPolarHBondContact O-CB 3.41Å; I832-T835 PolarHBondContact O-N 3.31Å; I832-L836 HydrophobicContact CG2-CD1 4.17Å; I832-L836 WeakPolarHBondContact O-CG 3.06Å; I832-L836 PolarHBondContact O-N 2.85Å
833A96.6Very high94Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-59.4-40.7173.800000112.4I797 A829 L836 G837 N838 L842 L845I797-A833 HydrophobicContact CG2-CB 4.23Å; A829-A833 PolarHBondContact O-N 2.87Å; A833-L836 PolarHBondContact O-N 3.41Å; A833-G837 PolarHBondContact O-N 2.91Å; A833-G837 VanDerWaalsContact O-N 3.07Å; A833-N838 PolarHBondContact O-N 3.47Å; A833-L842 HydrophobicContact CB-CD2 3.72Å; A833-L842 HydrophobicContact CB-CG 4.03Å; A833-L845 HydrophobicContact CB-CD1 3.81Å
834A96.1Very high94.5Very high0 Ų026.5 Ų26.50%014%0.139CC..Hα-helixtrans-65-42.8173.800000112.9I830 I832 L836 G837 L842 A862 A866 N871 L878I830-A834 VanDerWaalsContact O-CB 3.23Å; I830-A834 WeakPolarHBondContact O-CB 3.41Å; I830-A834 PolarHBondContact O-N 2.87Å; I832-A834 VanDerWaalsContact C-N 3.31Å; I832-A834 PolarHBondContact O-N 2.89Å; A834-L836 VanDerWaalsContact C-N 3.29Å; A834-L836 PolarHBondContact O-N 3.49Å; A834-G837 PolarHBondContact O-N 2.99Å; A834-L842 HydrophobicContact CB-CD2 4.24Å; A834-A862 HydrophobicContact CB-CB 4.21Å; A834-A862 WeakPolarHBondContact CB-O 3.37Å; A834-A866 HydrophobicContact CB-CB 4.11Å; A834-N871 PolarHBondContact O-ND2 2.97Å; A834-L878 HydrophobicContact CB-CD1 4.12Å
835T95.6Very high94.9Very high42 Ų4219.4 Ų19.426%0.25811%0.106SC..Hα-helixtrans-60.3-39.1176.1-57.60000111.5H831 I832 Y865 S869 N871H831-T835 WeakPolarHBondContact O-CB 3.48Å; H831-T835 PolarHBondContact O-N 2.82Å; H831-T835 PolarHBondContact O-OG1 2.82Å; I832-T835 WeakPolarHBondContact O-CB 3.41Å; I832-T835 PolarHBondContact O-N 3.31Å; T835-Y865 WeakPolarHBondContact OG1-CD1 3.34Å; T835-S869 WeakPolarHBondContact O-CB 3.35Å; T835-S869 PolarHBondContact O-OG 3.02Å; T835-N871 PolarHBondContact O-ND2 2.85Å
836L95.4Very high95.2Very high64 Ų6419.1 Ų19.134%0.33510%0.104SC..Hα-helixtrans-77.9-18.7178.3-69.3171.8000114.2I797 Q800 I832 A833 A834 N838I797-L836 HydrophobicContact CG2-CD1 3.93Å; I797-L836 WeakPolarHBondContact O-CD1 3.39Å; Q800-L836 HydrophobicContact CG-CD1 4.47Å; I832-L836 HydrophobicContact CG2-CD1 4.17Å; I832-L836 WeakPolarHBondContact O-CG 3.06Å; I832-L836 PolarHBondContact O-N 2.85Å; A833-L836 PolarHBondContact O-N 3.41Å; A834-L836 VanDerWaalsContact C-N 3.29Å; A834-L836 PolarHBondContact O-N 3.49Å; L836-N838 VanDerWaalsContact C-N 3.29Å; L836-N838 HydrophobicContact CB-CB 4.47Å
837G94.6Very high95.3Very high25 Ų2519.5 Ų19.526%0.25810%0.103SC..THydrogen-bonded Turntrans73.621-175.500000113.5A833 A834 L839 N871 C874A833-G837 PolarHBondContact O-N 2.91Å; A833-G837 VanDerWaalsContact O-N 3.07Å; A834-G837 PolarHBondContact O-N 2.99Å; G837-L839 PolarHBondContact O-N 3.29Å; G837-N871 VanDerWaalsContact CA-CG 3.48Å; G837-N871 VanDerWaalsContact CA-ND2 3.25Å; G837-N871 WeakPolarHBondContact CA-ND2 3.49Å; G837-N871 PolarHBondContact N-ND2 3.46Å; G837-C874 PolarHBondContact O-SG 3.42Å
838N94.8Very high95.4Very high30 Ų3017.2 Ų17.216%0.169%0.094CC..  trans-86.992.6-177.2-168.6-45.1000110.7A833 L836 V840 Y841 L842A833-N838 PolarHBondContact O-N 3.47Å; L836-N838 VanDerWaalsContact C-N 3.29Å; L836-N838 HydrophobicContact CB-CB 4.47Å; N838-V840 VanDerWaalsContact C-N 3.27Å; N838-V840 PolarHBondContact O-N 2.95Å; N838-V840 WeakPolarHBondContact OD1-CB 3.44Å; N838-V840 PolarHBondContact OD1-N 3.25Å; N838-Y841 HydrophobicContact CB-CD2 3.84Å; N838-Y841 HydrophobicContact CB-CE2 4.49Å; N838-Y841 HydrophobicContact CB-CG 4.15Å; N838-Y841 VanDerWaalsContact CG-CD2 3.44Å; N838-Y841 WeakPolarHBondContact ND2-CD2 3.44Å; N838-Y841 WeakPolarHBondContact ND2-CE2 3.49Å; N838-Y841 PolarHBondContact O-N 3.02Å; N838-Y841 PolarHBondContact OD1-N 2.71Å; N838-L842 PolarHBondContact O-N 3.32Å
839L93.8Very high95.3Very high43 Ų4321.8 Ų21.823%0.22512%0.118CC..Hα-helixtrans-58.8-35.1179.6-174.161000113E700 G837 L842 Q843 F877E700-L839 HydrophobicContact CB-CD2 4.48Å; E700-L839 HydrophobicContact CB-CG 4.46Å; E700-L839 HydrophobicContact CG-CD1 4.17Å; E700-L839 HydrophobicContact CG-CD2 4.01Å; E700-L839 HydrophobicContact CG-CG 4.27Å; G837-L839 PolarHBondContact O-N 3.29Å; L839-L842 PolarHBondContact O-N 3.42Å; L839-Q843 WeakPolarHBondContact O-CB 3.38Å; L839-Q843 PolarHBondContact O-N 3.31Å; L839-F877 HydrophobicContact CD1-CB 3.83Å; L839-F877 HydrophobicContact CD1-CD1 3.61Å; L839-F877 HydrophobicContact CD1-CD2 3.88Å; L839-F877 HydrophobicContact CD1-CE1 4.1Å; L839-F877 HydrophobicContact CD1-CE2 4.33Å; L839-F877 HydrophobicContact CD1-CG 3.48Å; L839-F877 VanDerWaalsContact CD1-CG 3.48Å; L839-F877 HydrophobicContact CD1-CZ 4.43Å
840V95.3Very high95.1Very high19 Ų1922 Ų2212%0.11512%0.121CC..Hα-helixtrans-63.5-46176.8170.10000110.5V704 A707 N838 Q843 L844V704-V840 HydrophobicContact CB-CG1 4.5Å; V704-V840 HydrophobicContact CG2-CB 4.45Å; V704-V840 HydrophobicContact CG2-CG1 4.12Å; A707-V840 HydrophobicContact CB-CG1 4.08Å; A707-V840 HydrophobicContact CB-CG2 3.93Å; N838-V840 VanDerWaalsContact C-N 3.27Å; N838-V840 PolarHBondContact O-N 2.95Å; N838-V840 WeakPolarHBondContact OD1-CB 3.44Å; N838-V840 PolarHBondContact OD1-N 3.25Å; V840-Q843 PolarHBondContact O-N 3.02Å; V840-L844 HydrophobicContact CG1-CD1 4.02Å; V840-L844 WeakPolarHBondContact O-CB 3.32Å; V840-L844 VanDerWaalsContact O-CG 3.28Å; V840-L844 WeakPolarHBondContact O-CG 3.48Å; V840-L844 PolarHBondContact O-N 3.38Å
841Y96.7Very high94.9Very high4 Ų425.4 Ų25.42%0.01614%0.139CC..Hα-helixtrans-69.1-37.5177.4-63.8-12000112.3I797 Q800 T802 V805 N838 L844 L845I797-Y841 HydrophobicContact CB-CD2 4.43Å; I797-Y841 HydrophobicContact CG1-CD2 4.25Å; I797-Y841 HydrophobicContact CG2-CD2 4.05Å; Q800-Y841 WeakPolarHBondContact CA-OH 3.5Å; Q800-Y841 HydrophobicContact CB-CE2 4.41Å; Q800-Y841 HydrophobicContact CG-CE2 4.47Å; Q800-Y841 PolarHBondContact O-OH 3.48Å; Q800-Y841 VanDerWaalsContact O-OH 3.13Å; T802-Y841 HydrophobicContact CG2-CE1 4.3Å; T802-Y841 PolarHBondContact N-OH 3.38Å; T802-Y841 PolarHBondContact OG1-OH 3.07Å; V805-Y841 HydrophobicContact CG1-CD1 4.3Å; V805-Y841 HydrophobicContact CG1-CE1 4.39Å; V805-Y841 HydrophobicContact CG2-CE1 4.43Å; V805-Y841 HydrophobicContact CG2-CE2 4.47Å; N838-Y841 HydrophobicContact CB-CD2 3.84Å; N838-Y841 HydrophobicContact CB-CE2 4.49Å; N838-Y841 HydrophobicContact CB-CG 4.15Å; N838-Y841 VanDerWaalsContact CG-CD2 3.44Å; N838-Y841 WeakPolarHBondContact ND2-CD2 3.44Å; N838-Y841 WeakPolarHBondContact ND2-CE2 3.49Å; N838-Y841 PolarHBondContact O-N 3.02Å; N838-Y841 PolarHBondContact OD1-N 2.71Å; Y841-L844 HydrophobicContact CD1-CD1 4.4Å; Y841-L844 PolarHBondContact O-N 2.83Å; Y841-L845 WeakPolarHBondContact O-CB 3.26Å; Y841-L845 WeakPolarHBondContact O-CD1 3.37Å; Y841-L845 WeakPolarHBondContact O-CG 3.31Å; Y841-L845 PolarHBondContact O-N 3.14Å
842L96.2Very high94.8Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-61.7-46.7172.5-71.2175.4000111.7I830 A833 A834 N838 L839 L844 L845 L846 C874 F877 L878I830-L842 HydrophobicContact CG1-CD2 3.81Å; A833-L842 HydrophobicContact CB-CD2 3.72Å; A833-L842 HydrophobicContact CB-CG 4.03Å; A834-L842 HydrophobicContact CB-CD2 4.24Å; N838-L842 PolarHBondContact O-N 3.32Å; L839-L842 PolarHBondContact O-N 3.42Å; L842-L844 PolarHBondContact O-N 3.46Å; L842-L845 PolarHBondContact O-N 3.4Å; L842-L846 WeakPolarHBondContact O-CG 3.18Å; L842-L846 PolarHBondContact O-N 3.33Å; L842-L846 VanDerWaalsContact O-N 3.09Å; L842-C874 HydrophobicContact CD1-CB 3.69Å; L842-F877 HydrophobicContact CB-CD1 4.25Å; L842-F877 HydrophobicContact CB-CE1 3.88Å; L842-F877 HydrophobicContact CD1-CD1 4.48Å; L842-L878 HydrophobicContact CD1-CD1 4.33Å; L842-L878 HydrophobicContact CD1-CG 4.41Å; L842-L878 HydrophobicContact CD2-CD2 4.38Å
843Q95.5Very high94.6Very high12 Ų1227.7 Ų27.76%0.05616%0.159CC..Hα-helixtrans-64.4-39.5179.1-177.459.594.800112.2E700 V704 L839 V840 W847 F877E700-Q843 HydrophobicContact CB-CG 4.34Å; V704-Q843 HydrophobicContact CG2-CB 3.86Å; V704-Q843 HydrophobicContact CG2-CG 3.77Å; L839-Q843 WeakPolarHBondContact O-CB 3.38Å; L839-Q843 PolarHBondContact O-N 3.31Å; V840-Q843 PolarHBondContact O-N 3.02Å; Q843-W847 HydrophobicContact CG-CD2 4.22Å; Q843-W847 HydrophobicContact CG-CE3 4.23Å; Q843-W847 HydrophobicContact CG-CH2 3.71Å; Q843-W847 HydrophobicContact CG-CZ2 3.69Å; Q843-W847 HydrophobicContact CG-CZ3 4Å; Q843-W847 VanDerWaalsContact NE2-CE2 3.33Å; Q843-W847 VanDerWaalsContact NE2-NE1 3.19Å; Q843-W847 PolarHBondContact O-N 3.49Å; Q843-F877 HydrophobicContact CB-CZ 4Å; Q843-F877 HydrophobicContact CG-CZ 4.45Å
844L95.8Very high94.4Very high3 Ų329 Ų292%0.01617%0.167CC..Hα-helixtrans-63-51172.4-75.5168.5000111.6V704 I708 L809 V840 Y841 L842 L846 W847 Y848V704-L844 HydrophobicContact CG1-CD2 3.82Å; V704-L844 HydrophobicContact CG1-CG 4.09Å; V704-L844 HydrophobicContact CG2-CG 4.45Å; I708-L844 HydrophobicContact CD1-CD1 4.3Å; I708-L844 HydrophobicContact CD1-CD2 4.38Å; L809-L844 HydrophobicContact CD1-CB 3.93Å; V840-L844 HydrophobicContact CG1-CD1 4.02Å; V840-L844 WeakPolarHBondContact O-CB 3.32Å; V840-L844 VanDerWaalsContact O-CG 3.28Å; V840-L844 WeakPolarHBondContact O-CG 3.48Å; V840-L844 PolarHBondContact O-N 3.38Å; Y841-L844 HydrophobicContact CD1-CD1 4.4Å; Y841-L844 PolarHBondContact O-N 2.83Å; L842-L844 PolarHBondContact O-N 3.46Å; L844-L846 VanDerWaalsContact C-N 3.33Å; L844-L846 PolarHBondContact O-N 3.12Å; L844-W847 HydrophobicContact CD2-CE3 4.4Å; L844-W847 CarbonylContact O-C 3.57Å; L844-W847 WeakPolarHBondContact O-CA 3.48Å; L844-W847 WeakPolarHBondContact O-CB 3.3Å; L844-W847 PolarHBondContact O-N 3.45Å; L844-Y848 HydrophobicContact CD2-CE2 4.45Å; L844-Y848 WeakPolarHBondContact O-CD2 3.42Å; L844-Y848 PolarHBondContact O-N 3.3Å
845L95.8Very high94.2Very high3 Ų332.6 Ų32.62%0.01619%0.189CC..Hα-helixtrans-56.1-46.1-178.8-74.4165.7000111.6L793 I797 L809 V817 A829 I830 A833 Y841 L842 W847 Y848 N849 G850L793-L845 HydrophobicContact CD2-CD2 4.35Å; I797-L845 HydrophobicContact CD1-CD1 4.14Å; I797-L845 HydrophobicContact CD1-CD2 4.34Å; L809-L845 HydrophobicContact CD2-CD2 4.13Å; V817-L845 HydrophobicContact CG1-CD2 3.72Å; A829-L845 HydrophobicContact CB-CD1 4.2Å; A829-L845 HydrophobicContact CB-CD2 3.82Å; I830-L845 HydrophobicContact CB-CD1 4.37Å; A833-L845 HydrophobicContact CB-CD1 3.81Å; Y841-L845 WeakPolarHBondContact O-CB 3.26Å; Y841-L845 WeakPolarHBondContact O-CD1 3.37Å; Y841-L845 WeakPolarHBondContact O-CG 3.31Å; Y841-L845 PolarHBondContact O-N 3.14Å; L842-L845 PolarHBondContact O-N 3.4Å; L845-W847 VanDerWaalsContact C-N 3.31Å; L845-W847 PolarHBondContact O-N 3.4Å; L845-Y848 CarbonylContact O-C 3.54Å; L845-Y848 VanDerWaalsContact O-C 3.29Å; L845-Y848 PolarHBondContact O-N 3.26Å; L845-N849 PolarHBondContact O-N 2.85Å; L845-G850 WeakPolarHBondContact O-CA 3.39Å; L845-G850 PolarHBondContact O-N 3.33Å
846L94.2Very high93.9Very high28 Ų2831.1 Ų31.115%0.14718%0.179CC..Hα-helixtrans-60.5-37.6175.1-66.1170.7000112.5I830 L842 L844 Y848 N849 P852 F877 N881I830-L846 HydrophobicContact CD1-CD2 4.26Å; L842-L846 WeakPolarHBondContact O-CG 3.18Å; L842-L846 PolarHBondContact O-N 3.33Å; L842-L846 VanDerWaalsContact O-N 3.09Å; L844-L846 VanDerWaalsContact C-N 3.33Å; L844-L846 PolarHBondContact O-N 3.12Å; L846-Y848 VanDerWaalsContact C-N 3.31Å; L846-Y848 PolarHBondContact O-N 2.95Å; L846-N849 PolarHBondContact O-N 3.29Å; L846-P852 HydrophobicContact CD2-CB 4.13Å; L846-P852 HydrophobicContact CD2-CG 4Å; L846-F877 HydrophobicContact CD1-CE1 3.53Å; L846-F877 HydrophobicContact CD1-CZ 3.71Å; L846-N881 HydrophobicContact CD1-CB 3.78Å
847W93.3Very high93.4Very high33 Ų3334.6 Ų34.613%0.12519%0.194CC..Hα-helixtrans-70.4-22.9173.9-74-16.7000113.8L665 N666 R688 V704 Q843 L844 L845L665-W847 HydrophobicContact CB-CE3 4.42Å; L665-W847 HydrophobicContact CB-CH2 3.65Å; L665-W847 HydrophobicContact CB-CZ2 4.09Å; L665-W847 HydrophobicContact CB-CZ3 3.82Å; L665-W847 HydrophobicContact CD1-CH2 4.24Å; L665-W847 HydrophobicContact CD1-CZ2 4.02Å; L665-W847 HydrophobicContact CG-CH2 4.39Å; L665-W847 WeakPolarHBondContact O-CZ3 3.44Å; N666-W847 HydrophobicContact CB-CB 4.2Å; N666-W847 HydrophobicContact CB-CD2 4.48Å; N666-W847 HydrophobicContact CB-CE3 4.09Å; R688-W847 PolarHBondContact NH1-O 2.94Å; R688-W847 PolarHBondContact NH2-O 3.24Å; V704-W847 HydrophobicContact CB-CH2 4.42Å; V704-W847 HydrophobicContact CB-CZ3 4.05Å; V704-W847 HydrophobicContact CG1-CZ3 3.94Å; V704-W847 HydrophobicContact CG2-CH2 4.29Å; V704-W847 HydrophobicContact CG2-CZ3 3.96Å; Q843-W847 HydrophobicContact CG-CD2 4.22Å; Q843-W847 HydrophobicContact CG-CE3 4.23Å; Q843-W847 HydrophobicContact CG-CH2 3.71Å; Q843-W847 HydrophobicContact CG-CZ2 3.69Å; Q843-W847 HydrophobicContact CG-CZ3 4Å; Q843-W847 VanDerWaalsContact NE2-CE2 3.33Å; Q843-W847 VanDerWaalsContact NE2-NE1 3.19Å; Q843-W847 PolarHBondContact O-N 3.49Å; L844-W847 HydrophobicContact CD2-CE3 4.4Å; L844-W847 CarbonylContact O-C 3.57Å; L844-W847 WeakPolarHBondContact O-CA 3.48Å; L844-W847 WeakPolarHBondContact O-CB 3.3Å; L844-W847 PolarHBondContact O-N 3.45Å; L845-W847 VanDerWaalsContact C-N 3.31Å; L845-W847 PolarHBondContact O-N 3.4Å
848Y94.3Very high93Very high36 Ų3639.1 Ų39.114%0.14121%0.208CC..THydrogen-bonded Turntrans-100.333.7172.3-73.2-90.8000112.3N666 L809 V817 L844 L845 L846 G850N666-Y848 HydrophobicContact CB-CE2 4.12Å; N666-Y848 PolarHBondContact ND2-OH 2.77Å; N666-Y848 WeakPolarHBondContact O-CE2 3.35Å; N666-Y848 PolarHBondContact O-OH 3.44Å; L809-Y848 HydrophobicContact CB-CD1 4.23Å; L809-Y848 HydrophobicContact CB-CD2 4.13Å; L809-Y848 HydrophobicContact CB-CE1 4.33Å; L809-Y848 HydrophobicContact CB-CE2 4.24Å; L809-Y848 HydrophobicContact CB-CG 4.15Å; L809-Y848 HydrophobicContact CD1-CD2 4.02Å; L809-Y848 HydrophobicContact CD1-CE2 4.35Å; L809-Y848 HydrophobicContact CD2-CD2 4.4Å; L809-Y848 HydrophobicContact CD2-CG 4.19Å; L809-Y848 HydrophobicContact CG-CD2 4.42Å; L809-Y848 WeakPolarHBondContact O-CD1 3.46Å; L809-Y848 WeakPolarHBondContact O-CE1 3.18Å; V817-Y848 WeakPolarHBondContact CG2-O 3.17Å; L844-Y848 HydrophobicContact CD2-CE2 4.45Å; L844-Y848 WeakPolarHBondContact O-CD2 3.42Å; L844-Y848 PolarHBondContact O-N 3.3Å; L845-Y848 CarbonylContact O-C 3.54Å; L845-Y848 VanDerWaalsContact O-C 3.29Å; L845-Y848 PolarHBondContact O-N 3.26Å; L846-Y848 VanDerWaalsContact C-N 3.31Å; L846-Y848 PolarHBondContact O-N 2.95Å; Y848-G850 VanDerWaalsContact C-N 3.29Å; Y848-G850 PolarHBondContact O-N 3Å
849N92.8Very high92.7Very high98 Ų9839.2 Ų39.252%0.52422%0.216SC..THydrogen-bonded Turntrans63.824.4174.2-67.990.9000115.6P814 N818 L845 L846 D851P814-N849 HydrophobicContact CB-CB 3.93Å; P814-N849 HydrophobicContact CG-CB 3.89Å; N818-N849 PolarHBondContact ND2-O 3.47Å; L845-N849 PolarHBondContact O-N 2.85Å; L846-N849 PolarHBondContact O-N 3.29Å; N849-D851 PolarHBondContact O-N 3.04Å
850G92.4Very high92.6Very high7 Ų739.5 Ų39.57%0.07221%0.214CC..  trans-60.4128.3160.600000110.6N818 L845 Y848N818-G850 WeakPolarHBondContact OD1-CA 3.42Å; L845-G850 WeakPolarHBondContact O-CA 3.39Å; L845-G850 PolarHBondContact O-N 3.33Å; Y848-G850 VanDerWaalsContact C-N 3.29Å; Y848-G850 PolarHBondContact O-N 3Å
851D93Very high92.5Very high73 Ų7338.9 Ų38.939%0.3921%0.21SC..  trans-94.9117.5-179.2169.520.9000110N818 N849 A853 V854N818-D851 PolarHBondContact OD1-N 2.72Å; N849-D851 PolarHBondContact O-N 3.04Å; D851-A853 PolarHBondContact O-N 2.55Å; D851-A853 WeakPolarHBondContact OD1-CB 3.24Å; D851-A853 PolarHBondContact OD1-N 3.17Å; D851-V854 HydrophobicContact CB-CG2 3.81Å; D851-V854 WeakPolarHBondContact O-CB 3.35Å; D851-V854 VanDerWaalsContact O-CG2 3.32Å; D851-V854 WeakPolarHBondContact O-CG2 3.45Å; D851-V854 PolarHBondContact O-N 3.11Å
852P92.4Very high92.3Very high17 Ų1738.7 Ų38.711%0.1121%0.21CC..THydrogen-bonded Turntrans-70.2-10.4179.128.6-32.3000113.9I830 L846 L878 N881 C883I830-P852 HydrophobicContact CD1-CB 4.36Å; L846-P852 HydrophobicContact CD2-CB 4.13Å; L846-P852 HydrophobicContact CD2-CG 4Å; P852-L878 HydrophobicContact CB-CD2 4.41Å; P852-N881 VanDerWaalsContact CG-O 3.25Å; P852-N881 WeakPolarHBondContact CG-O 3.33Å; P852-C883 HydrophobicContact CB-CB 3.92Å; P852-C883 PolarHBondContact O-SG 2.77Å
853A91.8Very high92.2Very high45 Ų4539.1 Ų39.137%0.37221%0.211SC..THydrogen-bonded Turntrans-87.3-3.9173.200000114D851 T855 P884D851-A853 PolarHBondContact O-N 2.55Å; D851-A853 WeakPolarHBondContact OD1-CB 3.24Å; D851-A853 PolarHBondContact OD1-N 3.17Å; A853-T855 PolarHBondContact O-N 3.33Å; A853-P884 HydrophobicContact CB-CG 4.18Å
854V91.7Very high92.1Very high27 Ų2740.9 Ų40.916%0.16422%0.218CC..  trans-57136.8174.5172.50000110.3N818 A828 H831 D851 N861N818-V854 HydrophobicContact CB-CG2 4.14Å; A828-V854 HydrophobicContact CB-CG1 4.15Å; H831-V854 PolarHBondContact NE2-O 2.76Å; D851-V854 HydrophobicContact CB-CG2 3.81Å; D851-V854 WeakPolarHBondContact O-CB 3.35Å; D851-V854 VanDerWaalsContact O-CG2 3.32Å; D851-V854 WeakPolarHBondContact O-CG2 3.45Å; D851-V854 PolarHBondContact O-N 3.11Å; V854-N861 WeakPolarHBondContact O-CA 3.46Å; V854-N861 WeakPolarHBondContact O-CB 3.32Å
855T92.8Very high92Very high76 Ų7641.9 Ų41.947%0.46622%0.222SC..BIsolated β-bridgetrans-122.3153.2175.346.50000110.3A853 R860 N861A853-T855 PolarHBondContact O-N 3.33Å; T855-R860 CarbonylContact C-O 3.58Å; T855-R860 VanDerWaalsContact CA-O 3.3Å; T855-R860 WeakPolarHBondContact CA-O 3.49Å; T855-N861 HydrophobicContact CG2-CB 3.96Å
856D89.8Confident91.9Very high11 Ų1141.8 Ų41.86%0.05922%0.221CC..  trans-79.5-174.2166.780-10.8000112.4P826 E858 G859 R860 Y865P826-D856 HydrophobicContact CB-CB 4.17Å; P826-D856 HydrophobicContact CG-CB 4.19Å; D856-E858 PolarHBondContact O-N 2.88Å; D856-E858 WeakPolarHBondContact OD1-CA 3.44Å; D856-E858 PolarHBondContact OD1-N 2.83Å; D856-G859 PolarHBondContact O-N 2.94Å; D856-G859 PolarHBondContact OD1-N 2.56Å; D856-R860 PolarHBondContact N-O 3.46Å; D856-R860 WeakPolarHBondContact OD1-CB 3.41Å; D856-R860 PolarHBondContact OD1-N 2.92Å; D856-R860 IonicContact OD1-NE 3.73Å; D856-R860 IonicContact OD2-CZ 3.92Å; D856-R860 IonicContact OD2-NE 3.79Å; D856-R860 PolarHBondContact OD2-NE 2.74Å; D856-R860 IonicContact OD2-NH2 2.96Å; D856-R860 PolarHBondContact OD2-NH2 2.76Å; D856-Y865 PolarHBondContact OD2-OH 3.04Å
857H84.3Confident91.9Very high137 Ų13743.3 Ų43.363%0.63423%0.227SC*.THydrogen-bonded Turntrans-65.6-14.4179.173.2165.1000115.8P826P826-H857 HydrophobicContact CB-CB 4.11Å; P826-H857 HydrophobicContact CG-CB 4.09Å; P826-H857 WeakPolarHBondContact CG-CD2 3.21Å; P826-H857 WeakPolarHBondContact CG-NE2 3.39Å
858E85.7Confident91.8Very high119 Ų11943.9 Ų43.956%0.55624%0.236SC*.THydrogen-bonded Turntrans-95.82.3175.2-77.7178.7-120.200111D856 R860D856-E858 PolarHBondContact O-N 2.88Å; D856-E858 WeakPolarHBondContact OD1-CA 3.44Å; D856-E858 PolarHBondContact OD1-N 2.83Å; E858-R860 VanDerWaalsContact C-N 3.32Å; E858-R860 HydrophobicContact CB-CG 3.93Å; E858-R860 VanDerWaalsContact CD-NH2 3.33Å; E858-R860 IonicContact OE1-CZ 3.33Å; E858-R860 IonicContact OE1-NE 2.94Å; E858-R860 IonicContact OE1-NH1 2.83Å; E858-R860 PolarHBondContact OE1-NH1 3.25Å; E858-R860 IonicContact OE1-NH2 2.72Å; E858-R860 PolarHBondContact OE1-NH2 2.74Å; E858-R860 IonicContact OE2-CZ 3.9Å; E858-R860 VanDerWaalsContact OE2-CZ 3.23Å; E858-R860 IonicContact OE2-NE 3.49Å; E858-R860 IonicContact OE2-NH1 2.81Å; E858-R860 PolarHBondContact OE2-NH1 3.08Å; E858-R860 IonicContact OE2-NH2 2.92Å
859G88.4Confident91.7Very high33 Ų3344.5 Ų44.534%0.3425%0.246SC..SBendtrans74.620.5-174.900000113.2D856 Q886D856-G859 PolarHBondContact O-N 2.94Å; D856-G859 PolarHBondContact OD1-N 2.56Å; G859-Q886 PolarHBondContact O-NE2 3.22Å; G859-Q886 PolarHBondContact O-OE1 2.76Å
860R91.8Very high91.7Very high48 Ų4846 Ų4618%0.18125%0.248CC..  trans-89.9128.1179.4-55.7178.8-63.5-146.8-4.7110.2H831 T855 D856 E858 Y864 Y865H831-R860 PolarHBondContact NE2-O 3.45Å; T855-R860 CarbonylContact C-O 3.58Å; T855-R860 VanDerWaalsContact CA-O 3.3Å; T855-R860 WeakPolarHBondContact CA-O 3.49Å; D856-R860 PolarHBondContact N-O 3.46Å; D856-R860 WeakPolarHBondContact OD1-CB 3.41Å; D856-R860 PolarHBondContact OD1-N 2.92Å; D856-R860 IonicContact OD1-NE 3.73Å; D856-R860 IonicContact OD2-CZ 3.92Å; D856-R860 IonicContact OD2-NE 3.79Å; D856-R860 PolarHBondContact OD2-NE 2.74Å; D856-R860 IonicContact OD2-NH2 2.96Å; D856-R860 PolarHBondContact OD2-NH2 2.76Å; E858-R860 VanDerWaalsContact C-N 3.32Å; E858-R860 HydrophobicContact CB-CG 3.93Å; E858-R860 VanDerWaalsContact CD-NH2 3.33Å; E858-R860 IonicContact OE1-CZ 3.33Å; E858-R860 IonicContact OE1-NE 2.94Å; E858-R860 IonicContact OE1-NH1 2.83Å; E858-R860 PolarHBondContact OE1-NH1 3.25Å; E858-R860 IonicContact OE1-NH2 2.72Å; E858-R860 PolarHBondContact OE1-NH2 2.74Å; E858-R860 IonicContact OE2-CZ 3.9Å; E858-R860 VanDerWaalsContact OE2-CZ 3.23Å; E858-R860 IonicContact OE2-NE 3.49Å; E858-R860 IonicContact OE2-NH1 2.81Å; E858-R860 PolarHBondContact OE2-NH1 3.08Å; E858-R860 IonicContact OE2-NH2 2.92Å; R860-Y864 HydrophobicContact CB-CD1 4.02Å; R860-Y864 HydrophobicContact CB-CG 4.18Å; R860-Y864 HydrophobicContact CG-CD1 4.12Å; R860-Y864 HydrophobicContact CG-CE1 4.22Å; R860-Y864 HydrophobicContact CG-CG 4.35Å; R860-Y865 HydrophobicContact CB-CE2 4.02Å; R860-Y865 PolarHBondContact NE-OH 3.09Å; R860-Y865 PolarHBondContact NH2-OH 3.28Å
861N93Very high91.8Very high6 Ų647.7 Ų47.73%0.03226%0.255CS..BIsolated β-bridgetrans-101.9178.1178.17115.2000113.2V854 T855 F863 Y864 Y865 P884 Q886V854-N861 WeakPolarHBondContact O-CA 3.46Å; V854-N861 WeakPolarHBondContact O-CB 3.32Å; T855-N861 HydrophobicContact CG2-CB 3.96Å; N861-F863 VanDerWaalsContact C-N 3.28Å; N861-F863 PolarHBondContact O-N 2.69Å; N861-F863 WeakPolarHBondContact OD1-CB 3.34Å; N861-F863 PolarHBondContact OD1-N 3.11Å; N861-F863 VanDerWaalsContact OD1-N 3.13Å; N861-Y864 WeakPolarHBondContact O-CB 3.3Å; N861-Y864 PolarHBondContact O-N 3.27Å; N861-Y864 VanDerWaalsContact O-N 3.12Å; N861-Y864 PolarHBondContact OD1-N 3.42Å; N861-Y864 VanDerWaalsContact OD1-N 3.16Å; N861-Y865 WeakPolarHBondContact O-CD2 3.23Å; N861-Y865 PolarHBondContact O-N 2.62Å; N861-P884 PolarHBondContact ND2-O 3.44Å; N861-Q886 PolarHBondContact OD1-OE1 2.77Å
862A93.9Very high91.8Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-57-35.7-179.300000113.9I830 A834 Y865 A866 L878I830-A862 HydrophobicContact CD1-CB 4.32Å; I830-A862 HydrophobicContact CG1-CB 3.92Å; I830-A862 HydrophobicContact CG2-CB 4.35Å; A834-A862 HydrophobicContact CB-CB 4.21Å; A834-A862 WeakPolarHBondContact CB-O 3.37Å; A862-Y865 PolarHBondContact O-N 3.14Å; A862-A866 PolarHBondContact O-N 3.14Å; A862-L878 HydrophobicContact CB-CD1 3.72Å; A862-L878 HydrophobicContact CB-CD2 3.94Å; A862-L878 HydrophobicContact CB-CG 4.49Å
863F94.4Very high91.7Very high9 Ų956.2 Ų56.24%0.03929%0.291CS..Hα-helixtrans-63-42176.7173.5-90.4000111.8N861 Y865 A866 H867 A875 L879 C883 K885 Q886 V888N861-F863 VanDerWaalsContact C-N 3.28Å; N861-F863 PolarHBondContact O-N 2.69Å; N861-F863 WeakPolarHBondContact OD1-CB 3.34Å; N861-F863 PolarHBondContact OD1-N 3.11Å; N861-F863 VanDerWaalsContact OD1-N 3.13Å; F863-Y865 VanDerWaalsContact C-N 3.35Å; F863-Y865 PolarHBondContact O-N 3.21Å; F863-A866 PolarHBondContact O-N 2.72Å; F863-H867 HydrophobicContact CE1-CB 4.43Å; F863-H867 AromaticContact CZ-CD2 3.94Å; F863-H867 VanDerWaalsContact O-CB 3.3Å; F863-H867 WeakPolarHBondContact O-CB 3.34Å; F863-H867 PolarHBondContact O-N 3.27Å; F863-A875 HydrophobicContact CD2-CB 3.89Å; F863-A875 WeakPolarHBondContact CD2-O 3.43Å; F863-A875 HydrophobicContact CE2-CB 3.78Å; F863-L879 HydrophobicContact CD2-CD1 4.2Å; F863-L879 HydrophobicContact CD2-CD2 3.63Å; F863-L879 HydrophobicContact CD2-CG 3.69Å; F863-L879 HydrophobicContact CE2-CD1 3.66Å; F863-L879 HydrophobicContact CE2-CD2 3.87Å; F863-L879 HydrophobicContact CE2-CG 3.69Å; F863-L879 HydrophobicContact CG-CD2 4.2Å; F863-L879 HydrophobicContact CZ-CD1 4.39Å; F863-C883 VanDerWaalsContact CB-SG 3.52Å; F863-K885 HydrophobicContact CD1-CG 4.49Å; F863-K885 HydrophobicContact CE1-CG 3.94Å; F863-K885 HydrophobicContact CZ-CG 4Å; F863-Q886 HydrophobicContact CD1-CB 4.45Å; F863-Q886 WeakPolarHBondContact CE1-O 3.43Å; F863-V888 HydrophobicContact CE1-CG2 4.3Å
864Y93.2Very high91.8Very high49 Ų4954.3 Ų54.319%0.19228%0.275CS..Hα-helixtrans-56.2-49.1175179.8-82.2000111.1R860 N861 H867 C868 Q886 V888R860-Y864 HydrophobicContact CB-CD1 4.02Å; R860-Y864 HydrophobicContact CB-CG 4.18Å; R860-Y864 HydrophobicContact CG-CD1 4.12Å; R860-Y864 HydrophobicContact CG-CE1 4.22Å; R860-Y864 HydrophobicContact CG-CG 4.35Å; N861-Y864 WeakPolarHBondContact O-CB 3.3Å; N861-Y864 PolarHBondContact O-N 3.27Å; N861-Y864 VanDerWaalsContact O-N 3.12Å; N861-Y864 PolarHBondContact OD1-N 3.42Å; N861-Y864 VanDerWaalsContact OD1-N 3.16Å; Y864-H867 PolarHBondContact O-N 3.47Å; Y864-C868 WeakPolarHBondContact CE1-SG 3.15Å; Y864-C868 WeakPolarHBondContact O-CB 3.03Å; Y864-C868 PolarHBondContact O-N 2.88Å; Y864-C868 PolarHBondContact O-SG 3.27Å; Y864-C868 VanDerWaalsContact O-SG 3.39Å; Y864-Q886 HydrophobicContact CD2-CG 4.41Å; Y864-V888 HydrophobicContact CD2-CG1 4.43Å; Y864-V888 HydrophobicContact CD2-CG2 3.94Å; Y864-V888 HydrophobicContact CE2-CG1 4.24Å
865Y93.6Very high91.9Very high25 Ų2553.2 Ų53.210%0.09827%0.268CS..Hα-helixtrans-63.7-45.8179.6-76.8-79.6000113.1H831 T835 D856 R860 N861 A862 F863 H867 C868 S869H831-Y865 HydrophobicContact CB-CD2 3.81Å; H831-Y865 HydrophobicContact CB-CE2 3.92Å; H831-Y865 HydrophobicContact CB-CG 4.32Å; H831-Y865 AromaticContact CD2-CD2 3.53Å; H831-Y865 AromaticContact CD2-CE2 3.63Å; H831-Y865 AromaticContact CG-CD2 3.94Å; H831-Y865 AromaticContact CG-CE2 3.86Å; T835-Y865 WeakPolarHBondContact OG1-CD1 3.34Å; D856-Y865 PolarHBondContact OD2-OH 3.04Å; R860-Y865 HydrophobicContact CB-CE2 4.02Å; R860-Y865 PolarHBondContact NE-OH 3.09Å; R860-Y865 PolarHBondContact NH2-OH 3.28Å; N861-Y865 WeakPolarHBondContact O-CD2 3.23Å; N861-Y865 PolarHBondContact O-N 2.62Å; A862-Y865 PolarHBondContact O-N 3.14Å; F863-Y865 VanDerWaalsContact C-N 3.35Å; F863-Y865 PolarHBondContact O-N 3.21Å; Y865-H867 VanDerWaalsContact C-N 3.34Å; Y865-H867 PolarHBondContact O-N 3.3Å; Y865-C868 PolarHBondContact O-N 3.5Å; Y865-S869 PolarHBondContact O-N 3.36Å
866A94Very high91.8Very high0 Ų052.9 Ų52.90%026%0.264CS..Hα-helixtrans-59.7-44.8176.700000111.8A834 A862 F863 S869 K870 N871 C874 A875 L878A834-A866 HydrophobicContact CB-CB 4.11Å; A862-A866 PolarHBondContact O-N 3.14Å; F863-A866 PolarHBondContact O-N 2.72Å; A866-S869 PolarHBondContact O-N 2.93Å; A866-K870 PolarHBondContact O-N 3.44Å; A866-K870 VanDerWaalsContact O-N 3.17Å; A866-N871 HydrophobicContact CB-CB 4.5Å; A866-N871 PolarHBondContact O-N 2.96Å; A866-C874 HydrophobicContact CB-CB 4.29Å; A866-A875 HydrophobicContact CB-CB 3.83Å; A866-L878 HydrophobicContact CB-CD1 4.18Å
867H92.8Very high92Very high60 Ų6052.5 Ų52.528%0.27826%0.261SS..Hα-helixtrans-68.8-39.8-180-169.9-68.4000112.6F863 Y864 Y865 K870 V888F863-H867 HydrophobicContact CE1-CB 4.43Å; F863-H867 AromaticContact CZ-CD2 3.94Å; F863-H867 VanDerWaalsContact O-CB 3.3Å; F863-H867 WeakPolarHBondContact O-CB 3.34Å; F863-H867 PolarHBondContact O-N 3.27Å; Y864-H867 PolarHBondContact O-N 3.47Å; Y865-H867 VanDerWaalsContact C-N 3.34Å; Y865-H867 PolarHBondContact O-N 3.3Å; H867-K870 PolarHBondContact O-N 3.36Å; H867-V888 HydrophobicContact CB-CG2 4.04Å
868C91.8Very high92.5Very high46 Ų4646 Ų4631%0.31123%0.231SC..Hα-helixtrans-64.4-37.8174.7-76.80000112.7Y864 Y865 K870 V888Y864-C868 WeakPolarHBondContact CE1-SG 3.15Å; Y864-C868 WeakPolarHBondContact O-CB 3.03Å; Y864-C868 PolarHBondContact O-N 2.88Å; Y864-C868 PolarHBondContact O-SG 3.27Å; Y864-C868 VanDerWaalsContact O-SG 3.39Å; Y865-C868 PolarHBondContact O-N 3.5Å; C868-K870 PolarHBondContact O-N 3.14Å; C868-V888 VanDerWaalsContact SG-CG1 3.59Å
869S92.1Very high92.8Very high49 Ų4942.8 Ų42.834%0.34322%0.217SC..THydrogen-bonded Turntrans-73.6-5.7171.3-73.20000114.2T835 Y865 A866 N871T835-S869 WeakPolarHBondContact O-CB 3.35Å; T835-S869 PolarHBondContact O-OG 3.02Å; Y865-S869 PolarHBondContact O-N 3.36Å; A866-S869 PolarHBondContact O-N 2.93Å; S869-N871 VanDerWaalsContact C-N 3.26Å; S869-N871 WeakPolarHBondContact CB-ND2 3.37Å; S869-N871 PolarHBondContact O-N 3.49Å
870K93.2Very high93Very high130 Ų13048.6 Ų48.657%0.56523%0.229SC*.THydrogen-bonded Turntrans65.522.3-173.7-49.3176.3-176176.10114.4A866 H867 C868 Y872A866-K870 PolarHBondContact O-N 3.44Å; A866-K870 VanDerWaalsContact O-N 3.17Å; H867-K870 PolarHBondContact O-N 3.36Å; C868-K870 PolarHBondContact O-N 3.14Å; K870-Y872 HydrophobicContact CB-CE2 3.93Å; K870-Y872 VanDerWaalsContact O-CD2 3.25Å; K870-Y872 WeakPolarHBondContact O-CD2 3.37Å; K870-Y872 WeakPolarHBondContact O-CE2 3.25Å; K870-Y872 PolarHBondContact O-N 3.01Å
871N93.8Very high92.9Very high42 Ų4249 Ų4923%0.22524%0.235CC..  trans-83.264.8177-60-32.3000110.2A834 T835 G837 A866 S869 D873 C874 A875A834-N871 PolarHBondContact O-ND2 2.97Å; T835-N871 PolarHBondContact O-ND2 2.85Å; G837-N871 VanDerWaalsContact CA-CG 3.48Å; G837-N871 VanDerWaalsContact CA-ND2 3.25Å; G837-N871 WeakPolarHBondContact CA-ND2 3.49Å; G837-N871 PolarHBondContact N-ND2 3.46Å; A866-N871 HydrophobicContact CB-CB 4.5Å; A866-N871 PolarHBondContact O-N 2.96Å; S869-N871 VanDerWaalsContact C-N 3.26Å; S869-N871 WeakPolarHBondContact CB-ND2 3.37Å; S869-N871 PolarHBondContact O-N 3.49Å; N871-D873 VanDerWaalsContact C-N 3.32Å; N871-D873 PolarHBondContact O-N 2.8Å; N871-C874 HydrophobicContact CB-CB 4.18Å; N871-C874 WeakPolarHBondContact O-CB 3.48Å; N871-C874 PolarHBondContact O-N 2.68Å; N871-C874 VanDerWaalsContact O-N 3.13Å; N871-A875 PolarHBondContact O-N 3.44Å
872Y92.6Very high92.7Very high133 Ų13353.5 Ų53.552%0.52227%0.267SS..Hα-helixtrans-61.4-34.7-167.7-58.2-65000114K870 C874 A875 D876K870-Y872 HydrophobicContact CB-CE2 3.93Å; K870-Y872 VanDerWaalsContact O-CD2 3.25Å; K870-Y872 WeakPolarHBondContact O-CD2 3.37Å; K870-Y872 WeakPolarHBondContact O-CE2 3.25Å; K870-Y872 PolarHBondContact O-N 3.01Å; Y872-C874 VanDerWaalsContact C-N 3.34Å; Y872-C874 PolarHBondContact O-N 3.29Å; Y872-A875 WeakPolarHBondContact O-CB 3.33Å; Y872-A875 PolarHBondContact O-N 3.18Å; Y872-A875 VanDerWaalsContact O-N 3.14Å; Y872-D876 PolarHBondContact O-N 2.84Å
873D91.6Very high92.4Very high136 Ų13653.8 Ų53.873%0.72727%0.269SS*.Hα-helixtrans-64.7-39.3177.2-51.5-60.2000111.8N871 F877N871-D873 VanDerWaalsContact C-N 3.32Å; N871-D873 PolarHBondContact O-N 2.8Å; D873-F877 VanDerWaalsContact O-CB 3.24Å; D873-F877 WeakPolarHBondContact O-CB 3.29Å; D873-F877 PolarHBondContact O-N 3.21Å
874C93.1Very high92.1Very high5 Ų556.6 Ų56.63%0.03429%0.288CS..Hα-helixtrans-69-35.2172.9-720000111.9G837 L842 A866 N871 Y872 L878G837-C874 PolarHBondContact O-SG 3.42Å; L842-C874 HydrophobicContact CD1-CB 3.69Å; A866-C874 HydrophobicContact CB-CB 4.29Å; N871-C874 HydrophobicContact CB-CB 4.18Å; N871-C874 WeakPolarHBondContact O-CB 3.48Å; N871-C874 PolarHBondContact O-N 2.68Å; N871-C874 VanDerWaalsContact O-N 3.13Å; Y872-C874 VanDerWaalsContact C-N 3.34Å; Y872-C874 PolarHBondContact O-N 3.29Å; C874-L878 WeakPolarHBondContact O-CB 3.35Å; C874-L878 WeakPolarHBondContact O-CD1 3.47Å; C874-L878 VanDerWaalsContact O-CG 3.24Å; C874-L878 WeakPolarHBondContact O-CG 3.49Å; C874-L878 PolarHBondContact O-N 3.25Å
875A93.2Very high91.9Very high3 Ų361.8 Ų61.83%0.02531%0.311CS..Hα-helixtrans-66.3-44.7175.900000111.5F863 A866 N871 Y872 L878 L879F863-A875 HydrophobicContact CD2-CB 3.89Å; F863-A875 WeakPolarHBondContact CD2-O 3.43Å; F863-A875 HydrophobicContact CE2-CB 3.78Å; A866-A875 HydrophobicContact CB-CB 3.83Å; N871-A875 PolarHBondContact O-N 3.44Å; Y872-A875 WeakPolarHBondContact O-CB 3.33Å; Y872-A875 PolarHBondContact O-N 3.18Å; Y872-A875 VanDerWaalsContact O-N 3.14Å; A875-L878 PolarHBondContact O-N 3.43Å; A875-L879 WeakPolarHBondContact O-CG 3.47Å; A875-L879 PolarHBondContact O-N 3.34Å; A875-L879 VanDerWaalsContact O-N 3.1Å
876D92.5Very high91.5Very high70 Ų7063 Ų6337%0.37432%0.318SS..Hα-helixtrans-67.3-43175.6-169.865.4000111.9Y872 L878 L879 R880Y872-D876 PolarHBondContact O-N 2.84Å; D876-L878 VanDerWaalsContact C-N 3.28Å; D876-L878 PolarHBondContact O-N 2.84Å; D876-L879 WeakPolarHBondContact O-CB 3.4Å; D876-L879 PolarHBondContact O-N 3.04Å; D876-R880 WeakPolarHBondContact O-CG 3.5Å; D876-R880 PolarHBondContact O-N 3.08Å; D876-R880 IonicContact OD2-CZ 3.71Å; D876-R880 IonicContact OD2-NE 2.61Å; D876-R880 PolarHBondContact OD2-NE 3.32Å; D876-R880 IonicContact OD2-NH2 3.45Å; D876-R880 PolarHBondContact OD2-NH2 3.49Å
877F93.7Very high90.8Very high3 Ų371 Ų711%0.01336%0.36CS..Hα-helixtrans-54.6-42.6172.3173.1-102.3000112.4E700 L839 L842 Q843 L846 D873 R880 N881E700-F877 HydrophobicContact CB-CD2 4.45Å; E700-F877 HydrophobicContact CB-CE2 3.96Å; E700-F877 HydrophobicContact CG-CD2 3.63Å; E700-F877 HydrophobicContact CG-CE2 3.62Å; L839-F877 HydrophobicContact CD1-CB 3.83Å; L839-F877 HydrophobicContact CD1-CD1 3.61Å; L839-F877 HydrophobicContact CD1-CD2 3.88Å; L839-F877 HydrophobicContact CD1-CE1 4.1Å; L839-F877 HydrophobicContact CD1-CE2 4.33Å; L839-F877 HydrophobicContact CD1-CG 3.48Å; L839-F877 VanDerWaalsContact CD1-CG 3.48Å; L839-F877 HydrophobicContact CD1-CZ 4.43Å; L842-F877 HydrophobicContact CB-CD1 4.25Å; L842-F877 HydrophobicContact CB-CE1 3.88Å; L842-F877 HydrophobicContact CD1-CD1 4.48Å; Q843-F877 HydrophobicContact CB-CZ 4Å; Q843-F877 HydrophobicContact CG-CZ 4.45Å; L846-F877 HydrophobicContact CD1-CE1 3.53Å; L846-F877 HydrophobicContact CD1-CZ 3.71Å; D873-F877 VanDerWaalsContact O-CB 3.24Å; D873-F877 WeakPolarHBondContact O-CB 3.29Å; D873-F877 PolarHBondContact O-N 3.21Å; F877-R880 PolarHBondContact O-N 3.36Å; F877-N881 WeakPolarHBondContact CD2-ND2 3.48Å; F877-N881 WeakPolarHBondContact CE2-ND2 3.38Å; F877-N881 WeakPolarHBondContact CZ-ND2 3.5Å; F877-N881 PolarHBondContact O-N 3.35Å; F877-N881 VanDerWaalsContact O-N 3.09Å; F877-N881 PolarHBondContact O-ND2 3.12Å
878L93.6Very high90Very high0 Ų069.6 Ų69.60%036%0.355CS..Hα-helixtrans-63.1-42.3174.9-78.1164.7000111.8I830 A834 L842 P852 A862 A866 C874 A875 D876 N881 S882 C883I830-L878 HydrophobicContact CD1-CD2 4.22Å; A834-L878 HydrophobicContact CB-CD1 4.12Å; L842-L878 HydrophobicContact CD1-CD1 4.33Å; L842-L878 HydrophobicContact CD1-CG 4.41Å; L842-L878 HydrophobicContact CD2-CD2 4.38Å; P852-L878 HydrophobicContact CB-CD2 4.41Å; A862-L878 HydrophobicContact CB-CD1 3.72Å; A862-L878 HydrophobicContact CB-CD2 3.94Å; A862-L878 HydrophobicContact CB-CG 4.49Å; A866-L878 HydrophobicContact CB-CD1 4.18Å; C874-L878 WeakPolarHBondContact O-CB 3.35Å; C874-L878 WeakPolarHBondContact O-CD1 3.47Å; C874-L878 VanDerWaalsContact O-CG 3.24Å; C874-L878 WeakPolarHBondContact O-CG 3.49Å; C874-L878 PolarHBondContact O-N 3.25Å; A875-L878 PolarHBondContact O-N 3.43Å; D876-L878 VanDerWaalsContact C-N 3.28Å; D876-L878 PolarHBondContact O-N 2.84Å; L878-N881 CarbonylContact O-C 3.59Å; L878-N881 PolarHBondContact O-N 3.46Å; L878-S882 PolarHBondContact O-N 2.88Å; L878-C883 VanDerWaalsContact C-CB 3.45Å; L878-C883 HydrophobicContact CB-CB 3.8Å; L878-C883 WeakPolarHBondContact O-CB 3.5Å; L878-C883 PolarHBondContact O-N 3.46Å
879L92.4Very high89Confident51 Ų5171.2 Ų71.227%0.26737%0.365SS..Hα-helixtrans-61.2-44.2174.8-66.2-177.9000112.2F863 A875 D876 N881 S882 C883 K885F863-L879 HydrophobicContact CD2-CD1 4.2Å; F863-L879 HydrophobicContact CD2-CD2 3.63Å; F863-L879 HydrophobicContact CD2-CG 3.69Å; F863-L879 HydrophobicContact CE2-CD1 3.66Å; F863-L879 HydrophobicContact CE2-CD2 3.87Å; F863-L879 HydrophobicContact CE2-CG 3.69Å; F863-L879 HydrophobicContact CG-CD2 4.2Å; F863-L879 HydrophobicContact CZ-CD1 4.39Å; A875-L879 WeakPolarHBondContact O-CG 3.47Å; A875-L879 PolarHBondContact O-N 3.34Å; A875-L879 VanDerWaalsContact O-N 3.1Å; D876-L879 WeakPolarHBondContact O-CB 3.4Å; D876-L879 PolarHBondContact O-N 3.04Å; L879-N881 PolarHBondContact O-N 3.09Å; L879-S882 PolarHBondContact O-N 3.42Å; L879-C883 WeakPolarHBondContact CD2-O 3.35Å; L879-K885 HydrophobicContact CD1-CD 4.16Å; L879-K885 HydrophobicContact CD2-CB 3.66Å; L879-K885 HydrophobicContact CD2-CD 4.45Å; L879-K885 HydrophobicContact CD2-CG 4.02Å
880R91.6Very high87.2Confident156 Ų15674.9 Ų74.959%0.58939%0.388SS*.Hα-helixtrans-58-36174.9-63.7175.6-157.7174.31.6111.9E700 D876 F877 S882E700-R880 IonicContact OE1-NH1 3.24Å; E700-R880 PolarHBondContact OE1-NH1 3.04Å; E700-R880 VanDerWaalsContact OE1-NH1 3.14Å; D876-R880 WeakPolarHBondContact O-CG 3.5Å; D876-R880 PolarHBondContact O-N 3.08Å; D876-R880 IonicContact OD2-CZ 3.71Å; D876-R880 IonicContact OD2-NE 2.61Å; D876-R880 PolarHBondContact OD2-NE 3.32Å; D876-R880 IonicContact OD2-NH2 3.45Å; D876-R880 PolarHBondContact OD2-NH2 3.49Å; F877-R880 PolarHBondContact O-N 3.36Å; R880-S882 PolarHBondContact O-N 3.15Å
881N90.6Very high85.4Confident55 Ų5572.6 Ų72.629%0.29438%0.381SS..THydrogen-bonded Turntrans-85.522.2176.9-72.6-87.1000113.5L846 P852 F877 L878 L879 C883L846-N881 HydrophobicContact CD1-CB 3.78Å; P852-N881 VanDerWaalsContact CG-O 3.25Å; P852-N881 WeakPolarHBondContact CG-O 3.33Å; F877-N881 WeakPolarHBondContact CD2-ND2 3.48Å; F877-N881 WeakPolarHBondContact CE2-ND2 3.38Å; F877-N881 WeakPolarHBondContact CZ-ND2 3.5Å; F877-N881 PolarHBondContact O-N 3.35Å; F877-N881 VanDerWaalsContact O-N 3.09Å; F877-N881 PolarHBondContact O-ND2 3.12Å; L878-N881 CarbonylContact O-C 3.59Å; L878-N881 PolarHBondContact O-N 3.46Å; L879-N881 PolarHBondContact O-N 3.09Å; N881-C883 PolarHBondContact O-N 2.86Å
882S89Confident82.9Confident102 Ų10274.6 Ų74.671%0.71340%0.397SS*.THydrogen-bonded Turntrans67.821.5176.6-51.70000116.2L878 L879 R880 P884L878-S882 PolarHBondContact O-N 2.88Å; L879-S882 PolarHBondContact O-N 3.42Å; R880-S882 PolarHBondContact O-N 3.15Å; S882-P884 WeakPolarHBondContact O-CD 3.33Å
883C87.6Confident80.6Confident6 Ų674 Ų744%0.04141%0.409CS..  trans-60.7128.6165-171.90000109.9P852 F863 L878 L879 N881 K885P852-C883 HydrophobicContact CB-CB 3.92Å; P852-C883 PolarHBondContact O-SG 2.77Å; F863-C883 VanDerWaalsContact CB-SG 3.52Å; L878-C883 VanDerWaalsContact C-CB 3.45Å; L878-C883 HydrophobicContact CB-CB 3.8Å; L878-C883 WeakPolarHBondContact O-CB 3.5Å; L878-C883 PolarHBondContact O-N 3.46Å; L879-C883 WeakPolarHBondContact CD2-O 3.35Å; N881-C883 PolarHBondContact O-N 2.86Å; C883-K885 PolarHBondContact O-N 3.24Å
884P88.9Confident78.1Confident67 Ų6775 Ų7544%0.43541%0.414SS..  trans-59.8130.3174.3-23.734.1000111.3A853 N861 S882 Q886A853-P884 HydrophobicContact CB-CG 4.18Å; N861-P884 PolarHBondContact ND2-O 3.44Å; S882-P884 WeakPolarHBondContact O-CD 3.33Å; P884-Q886 PolarHBondContact O-N 3.29Å
885K87.9Confident75.6Confident158 Ų15881.5 Ų81.569%0.68745%0.447SS*.  trans-73.3101.5177.9-170.1171.1-176.3171.60110.6F863 L879 C883F863-K885 HydrophobicContact CD1-CG 4.49Å; F863-K885 HydrophobicContact CE1-CG 3.94Å; F863-K885 HydrophobicContact CZ-CG 4Å; L879-K885 HydrophobicContact CD1-CD 4.16Å; L879-K885 HydrophobicContact CD2-CB 3.66Å; L879-K885 HydrophobicContact CD2-CD 4.45Å; L879-K885 HydrophobicContact CD2-CG 4.02Å; C883-K885 PolarHBondContact O-N 3.24Å
886Q84.8Confident72.8Confident51 Ų5188.9 Ų88.924%0.23848%0.483CS..PPolyproline II helixtrans-79.3143.3176.9-170.2159.59.800111.4G859 N861 F863 Y864 P884 V888G859-Q886 PolarHBondContact O-NE2 3.22Å; G859-Q886 PolarHBondContact O-OE1 2.76Å; N861-Q886 PolarHBondContact OD1-OE1 2.77Å; F863-Q886 HydrophobicContact CD1-CB 4.45Å; F863-Q886 WeakPolarHBondContact CE1-O 3.43Å; Y864-Q886 HydrophobicContact CD2-CG 4.41Å; P884-Q886 PolarHBondContact O-N 3.29Å; Q886-V888 PolarHBondContact O-N 3.33Å
887L79.3Confident70.1Confident169 Ų16990.1 Ų90.189%0.88550%0.495SS*.PPolyproline II helixtrans-73.6117.6170.9-68.6174.8000109.3
888V76.6Confident67.3Low29 Ų2996 Ų9618%0.17653%0.534CS..PPolyproline II helixtrans-96.5127.9177-175.50000108.5F863 Y864 H867 C868 Q886F863-V888 HydrophobicContact CE1-CG2 4.3Å; Y864-V888 HydrophobicContact CD2-CG1 4.43Å; Y864-V888 HydrophobicContact CD2-CG2 3.94Å; Y864-V888 HydrophobicContact CE2-CG1 4.24Å; H867-V888 HydrophobicContact CB-CG2 4.04Å; C868-V888 VanDerWaalsContact SG-CG1 3.59Å; Q886-V888 PolarHBondContact O-N 3.33Å
889P70Confident64.6Low80 Ų80100.7 Ų100.752%0.51956%0.562SS.*PPolyproline II helixtrans-57144.8174-24.934.6000111.6I891P889-I891 PolarHBondContact O-N 3.03Å
890P56Low61.7Low127 Ų127105.9 Ų105.983%0.82559%0.589SS**  trans-61.4114.2177.525.5-33.4000109.9P892P890-P892 WeakPolarHBondContact O-CD 3.21Å
891I54Low58.8Low81 Ų81108.4 Ų108.442%0.41560%0.598SS.*PPolyproline II helixtrans-63.5119.7-178-54.8173000108.2P889P889-I891 PolarHBondContact O-N 3.03Å
892P42.9Very low55.9Low85 Ų85111 Ų11155%0.55262%0.621SS**PPolyproline II helixtrans-64.5132.9177.926.1-33.3000109.8P890 N894P890-P892 WeakPolarHBondContact O-CD 3.21Å; P892-N894 PolarHBondContact O-N 2.73Å
893P43.5Very low53.1Low119 Ų119112 Ų11277%0.77363%0.627SS**SBendtrans-62.7133.3169.627.2-32.4000108.9
894N39.9Very low50.3Low157 Ų157119.5 Ų119.584%0.8466%0.662SS**  trans72.269.5-175-55.1-27.1000117.3P892P892-N894 PolarHBondContact O-N 2.73Å
895I40.4Very low47.4Very low143 Ų143123.9 Ų123.973%0.73368%0.682SS**  -133.2129.9124.7-74.8101.5000107.2
896M34.5Very low44.8Very low157 Ų157123.3 Ų123.377%0.77369%0.691SS**  trans-84.6129.7170.8-70.6-170.571.900109.9
897P35.7Very low42.1Very low96 Ų96128.7 Ų128.762%0.62372%0.718SS**  trans-66.4153.1160.131.4-33.8000109.2T899P897-T899 PolarHBondContact O-N 3.12Å
898P34.8Very low39.8Very low128 Ų128126.4 Ų126.483%0.83171%0.713SS**  trans-66.210117527.8-33.6000109.5I900P898-I900 PolarHBondContact O-N 3.11Å; P898-I900 VanDerWaalsContact O-N 3.09Å
899T36.1Very low37.8Very low97 Ų97134 Ų13460%0.59575%0.747SS**  trans-59.7115170.5-51.70000108.3P897 R901P897-T899 PolarHBondContact O-N 3.12Å; T899-R901 HydrophobicContact CG2-CG 4.43Å; T899-R901 PolarHBondContact O-N 3.12Å
900I32.4Very low35.8Very low161 Ų161138.9 Ų138.983%0.82676%0.763SS**  trans-65.291163.6-59.5177.3000105.9P898 S902P898-I900 PolarHBondContact O-N 3.11Å; P898-I900 VanDerWaalsContact O-N 3.09Å; I900-S902 PolarHBondContact O-N 3.49Å
901R30.7Very low34.6Very low209 Ų209140.8 Ų140.879%0.78976%0.764SS**  trans-65.4119174.4-81.4-172.8171.2-168.9-1.9107.7T899 S903T899-R901 HydrophobicContact CG2-CG 4.43Å; T899-R901 PolarHBondContact O-N 3.12Å; R901-S903 PolarHBondContact O-N 2.96Å
902S29.6Very low33.5Very low110 Ų110141.9 Ų141.977%0.76978%0.775SS**  trans-57.2103.9161.2-52.70000108.1I900 Q904I900-S902 PolarHBondContact O-N 3.49Å; S902-Q904 PolarHBondContact O-N 3.36Å
903S29Very low33Very low121 Ų121146.7 Ų146.785%0.84679%0.79SS**  trans-74.468.1-175.8-67.40000112.2R901R901-S903 PolarHBondContact O-N 2.96Å
904Q29.8Very low32.5Very low165 Ų165145.5 Ų145.577%0.77178%0.784SS**  trans-93.1142.4156.7-68.2-176.7-10.900108.7S902S902-Q904 PolarHBondContact O-N 3.36Å
905N28.3Very low32.3Very low159 Ų159146.1 Ų146.185%0.8578%0.782SS**  trans66.782.7177.4-51.3-35.9000116.2
906V31.9Very low31.9Very low146 Ų146143.4 Ų143.489%0.88578%0.775SS**  trans-108.6116.4143178.30000107.4
907M29.5Very low31.9Very low164 Ų164143.4 Ų143.481%0.80878%0.777SS**  trans-86.2140.6179.9-176.7173.8155.800109.6
908P30.6Very low31.8Very low120 Ų120145.2 Ų145.278%0.77978%0.78SS**  trans-76.5136.3-171.630-35.3000112.6
909Q35.1Very low31.9Very low188 Ų188147.7 Ų147.788%0.87978%0.78SS**  trans-134.4157.2163.3-73.6-164.7-24.400110.9
910Q27.8Very low31.8Very low183 Ų183146.1 Ų146.186%0.85578%0.783SS**  trans-94.6152.5-157.6-57.2154.7-83.800113.3
911I31.3Very low32Very low168 Ų168144 Ų14486%0.86278%0.782SS**  trans170.2137.7143.5-93.5152.4000107.7
912V30.2Very low32.2Very low104 Ų104138.5 Ų138.563%0.6378%0.776SS**  cis-164.2149.8-30.2114.20000106.6
913Q32.3Very low32.4Very low185 Ų185140.9 Ų140.986%0.86478%0.779SS**  trans62.1145.4-178.5-63.5146.51900114.9
914S32.1Very low32.5Very low95 Ų95139.1 Ų139.166%0.66477%0.767SS**  cis-159.6172.3-20.662.20000106.8
915H36.5Very low32.5Very low169 Ų169137.8 Ų137.878%0.78277%0.77SS**  cis-134.3165.111.1-115.9-72.9000113.8
916S31.5Very low32.7Very low86 Ų86134.1 Ų134.160%0.60177%0.769SS**  trans-52.6142.6167.948.60000118.3
917I34.1Very low32.5Very low158 Ų158135.5 Ų135.581%0.8177%0.771SS**  trans149.2130.9137.5-81.7163.7000110
918I34.9Very low32.5Very low134 Ų134133.4 Ų133.469%0.68777%0.773SS**  cis-157.2154.2-16.3-117.2169.9000108.9
919H36.5Very low32.5Very low180 Ų180133.6 Ų133.683%0.83378%0.777SS**  trans23.4138160.2-64.1-138.4000122.1
920G34.7Very low32.3Very low64 Ų64128.3 Ų128.366%0.6677%0.773SS**  cis154.8162.3-9.500000116.1
921S36.1Very low32.3Very low115 Ų115127.1 Ų127.180%0.80478%0.778SS**  trans64.8141.4154.936.30000121.6
922S34.5Very low32.2Very low95 Ų95123.4 Ų123.466%0.66477%0.772SS**  cis179154.8-2041.80000112.9
923I33.9Very low32Very low159 Ų159125.9 Ų125.982%0.81578%0.782SS**  trans70.1149.2148.9-70.9159.2000118.9
924S30.6Very low32Very low85 Ų85124.4 Ų124.459%0.59478%0.778SS**  cis-166.7164.3-4071.80000111.6
925T29.8Very low31.7Very low136 Ų136126.3 Ų126.383%0.83478%0.781SS**  trans50.4120149.952.50000121.9
926G32.3Very low31.4Very low82 Ų82125.1 Ų125.185%0.84578%0.779SS**  trans-175.3123.5158.500000112.9
927L28.1Very low31.1Very low175 Ų175127.1 Ų127.192%0.91678%0.783SS**  trans-103.1131.1-179.9-74.8159.6000111.1
928S30.1Very low30.9Very low121 Ų121127.2 Ų127.285%0.84679%0.785SS**  trans179.7156.1136.237.10000113.2
929S29.2Very low30.5Very low124 Ų124126.1 Ų126.187%0.86779%0.79SS**  trans-50.4136.7178.649.70000116.5
930G31.9Very low30.3Very low77 Ų77125.3 Ų125.379%0.79479%0.79SS**  trans-162129161.800000111
931V27.3Very low30Very low157 Ų157128.9 Ų128.995%0.95279%0.794SS**  trans-95117.2178.6179.20000109.3
932A30.4Very low29.5Very low91 Ų91129.1 Ų129.175%0.75280%0.795SS**  trans-161147.3165.200000110.2
933D26.1Very low29.2Very low156 Ų156128.2 Ų128.283%0.83480%0.801SS**  trans-66.3147.2174.5-47.7-97.9000112.2
934I30.8Very low28.8Very low153 Ų153129.2 Ų129.279%0.78581%0.807SS**  trans-154.7131.4147.3-105146.3000110.6I936I934-I936 HydrophobicContact CG2-CD1 4.02Å; I934-I936 HydrophobicContact CG2-CG1 3.79Å
935N25.8Very low28.8Very low136 Ų136131.7 Ų131.773%0.72782%0.818SS**  trans-85.1126175.3167.912.3000109.9
936I31.1Very low28.8Very low143 Ų143132.8 Ų132.873%0.73381%0.814SS**  trans-134.3106168.4-58.5-177.8000110.2I934I934-I936 HydrophobicContact CG2-CD1 4.02Å; I934-I936 HydrophobicContact CG2-CG1 3.79Å
937N25Very low28.7Very low128 Ų128134.6 Ų134.668%0.68481%0.811SS**  trans-67.9142.8156.5-67.1-52.6000109.5
938N30.2Very low28.8Very low160 Ų160134.2 Ų134.286%0.85680%0.804SS**  -168.1133.9126.6-101.8-30.6000115.3
939S26.1Very low28.7Very low112 Ų112136.5 Ų136.578%0.78380%0.801SS**  trans-58.2142.3173.7-42.40000114.5
940I32.3Very low28.8Very low163 Ų163139.9 Ų139.984%0.83680%0.8SS**  trans-134.6119.5150.7-61.2-175.1000110.7
941N28.1Very low28.5Very low139 Ų139140.2 Ų140.274%0.74379%0.79SS**  trans4.9123.7160.2-65.1-31.3000121.8
942S25.6Very low28.7Very low119 Ų119140.5 Ų140.583%0.83278%0.781SS**  36.9111107.7-46.40000119.4
943G28Very low28.7Very low77 Ų77144 Ų14479%0.79479%0.786SS**  trans-152.9103.8165.400000111.8
944L25.8Very low28.8Very low179 Ų179142.9 Ų142.994%0.93778%0.776SS**  trans-92.6108.2-172.4-172.694000111.7
945V30.3Very low28.7Very low137 Ų137142.7 Ų142.783%0.8377%0.772SS**  trans-142135.9170.6-173.50000110.4
946Q29.6Very low28.9Very low160 Ų160144 Ų14475%0.74877%0.773SS**  trans-81.7148.1176.5-70.1-177.8-23.800112.3H948Q946-H948 PolarHBondContact O-N 3.39Å
947P30.2Very low28.8Very low120 Ų120144.6 Ų144.678%0.77977%0.773SS**  trans-75.3107.3171.130.7-32.4000110.6
948H31.9Very low29.1Very low166 Ų166143.1 Ų143.177%0.76977%0.773SS**  trans-68.2146.8172.8-83.3-92.2000112.2Q946Q946-H948 PolarHBondContact O-N 3.39Å
949H28.1Very low29Very low170 Ų170141 Ų14179%0.78777%0.771SS**  trans-50.1140.1171.4-107.2-116.3000112.4
950F29.7Very low29.3Very low194 Ų194139.9 Ų139.985%0.85177%0.768SS**  trans-129.6125.8153.1-110.6-85.5000110.5
951S26.9Very low29.2Very low84 Ų84137.3 Ų137.359%0.58776%0.764SS**  trans-165.3147.1174.9-70.60000106.8
952H30.6Very low29.3Very low163 Ų163137.2 Ų137.276%0.75577%0.769SS**  trans63159-162.9-76.5-83.6000113.5
953L30.6Very low29.6Very low165 Ų165137.4 Ų137.486%0.86476%0.764SS**  cis-127.516916.1-124117.8000114.4
954Q28.5Very low29.8Very low133 Ų133138.6 Ų138.662%0.62176%0.761SS**  trans-119142.2-178.3168.6179.2-13.300109.1
955Q27.8Very low30.1Very low148 Ų148134.8 Ų134.869%0.69275%0.749SS**  trans43.9117.4163.6-65.4163.5-35.300118.4
956H31.1Very low30.3Very low163 Ų163136.1 Ų136.176%0.75575%0.746SS**  -178.7171.8106-103.8-86000113.4
957Q28.9Very low30.4Very low156 Ų156135.1 Ų135.173%0.72975%0.751SS**  trans-73.3158.9-158-61.7147.4-20.200117.1
958S30.1Very low30.5Very low97 Ų97132.5 Ų132.568%0.67875%0.746SS**  trans58.997.4140.960.50000122.2
959S28.5Very low30.5Very low117 Ų117130.5 Ų130.582%0.81875%0.745SS**  64.2146.1121.463.10000124
960A32.4Very low30.7Very low88 Ų88130.5 Ų130.573%0.72775%0.745SS**  trans87.273.3154.500000120.5
961S29.5Very low30.8Very low108 Ų108128.3 Ų128.376%0.75574%0.742SS**  39.7153.4117.862.90000124.1
962V31.2Very low31Very low138 Ų138130.1 Ų130.184%0.83675%0.754SS**  trans93.3130.7163.7-176.40000115.2
963V31.8Very low31.1Very low122 Ų122126.2 Ų126.274%0.73976%0.758SS**  cis-174.3163.4-32.2121.10000108.4
964S33Very low31.2Very low103 Ų103127 Ų12772%0.7276%0.758SS**  trans73.9131.9176.3-62.90000115.9
965S32.3Very low31.2Very low98 Ų98128.2 Ų128.269%0.68577%0.767SS**  79.5132.251.9-71.90000112.7
966E33.4Very low31.6Very low166 Ų166125.8 Ų125.878%0.77676%0.764SS**  cis-160.816210.6-118.7157.1-130.800113.5
967V32Very low31.5Very low138 Ų138122.8 Ų122.884%0.83676%0.762SS**  trans39.5134149.2176.80000121.4
968G32.6Very low31.7Very low66 Ų66126.7 Ų126.768%0.6877%0.771SS**  trans175.736.1167.700000123.5
969T31.2Very low32Very low124 Ų124130.7 Ų130.776%0.76178%0.779SS**  trans33135.4148.8550000124.7
970H32.1Very low32.4Very low170 Ų170130.4 Ų130.479%0.78777%0.774SS**  trans91.9145135.5-99.8-104.5000124
971L33.4Very low32.4Very low148 Ų148134.8 Ų134.878%0.77578%0.782SS**  trans81.5102153.6-68.3163.9000122.7
972S29.3Very low32.6Very low121 Ų121135.8 Ų135.885%0.84678%0.784SS**  trans7.5129.3134.4-46.40000121.2
973G33.3Very low32.8Very low81 Ų81136.4 Ų136.484%0.83579%0.788SS**  trans-159.3139.5166.200000113.4
974Q32.8Very low32.9Very low183 Ų183134.5 Ų134.586%0.85579%0.793SS**  trans-85.5147.4-170.6-62.9163.4-26.300114.2
975L29.7Very low32.8Very low157 Ų157135.1 Ų135.182%0.82280%0.797SS**  trans44.4161.6131.7-63.1168000121.8
976P35.6Very low32.9Very low98 Ų98137.2 Ų137.264%0.63681%0.805SS**  cis-138.7168.5-33.739.2-22.4000115.5
977S29.3Very low32.8Very low100 Ų100135.7 Ų135.770%0.69981%0.808SS**  trans31.3123.4146650000122.8
978Y33.3Very low33Very low237 Ų237134.6 Ų134.693%0.92981%0.806SS**  trans-149.7147.9138.8-94.4-74.5000111.6
979H35.8Very low33Very low181 Ų181138.3 Ų138.384%0.83881%0.81SS**  trans-132147.4171.1-120.7-52.3000107.2
980P36.5Very low33.3Very low111 Ų111139.8 Ų139.872%0.72181%0.809SS**  -154.4149126.234.6-15.8000118.1
981M33.1Very low33.3Very low181 Ų181139 Ų13989%0.89281%0.805SS**  trans70.8164.8136-67-64.1166.800122.9
982T32.6Very low33.3Very low128 Ų128138.2 Ų138.279%0.78580%0.801SS**  trans-131.9140.6-157.750.50000114.6
983T36.6Very low33.4Very low152 Ų152137.4 Ų137.493%0.93380%0.795SS**  trans-150.8153.8160.749.50000108.6
984G34.3Very low33.2Very low81 Ų81142.3 Ų142.384%0.83580%0.797SS**  cis-174.5-159.2200000109.9
985S29.1Very low33.2Very low116 Ų116140.6 Ų140.681%0.81180%0.798SS**  trans-143.6140.4-179.461.10000114
986V34.7Very low33.3Very low142 Ų142139.9 Ų139.986%0.86180%0.8SS**  trans-142.1142.5162.5-176.70000109.5
987T32.1Very low33.1Very low134 Ų134138.7 Ų138.782%0.82281%0.806SS**  trans-130.8133-178.8480000111.9
988S35.8Very low33.2Very low115 Ų115138.9 Ų138.980%0.80481%0.807SS**  trans-176.6161.2161.951.80000112.7
989N33.2Very low33.2Very low144 Ų144135.3 Ų135.377%0.7780%0.804SS**  -167.2169.4-50.7-150.8-17.8000108.1
990Q36.1Very low33.1Very low156 Ų156134.7 Ų134.773%0.72980%0.801SS**  trans67.3159.2169.5-57.7170.6-0.600115.6
991Q33.7Very low33.1Very low153 Ų153134.8 Ų134.872%0.71580%0.802SS**  cis-166.3166.4-22.9-105.6170.2-61.500106
992L32Very low32.9Very low132 Ų132133.8 Ų133.869%0.69180%0.799SS**  cis-154.41695.6-163.666.9000110.1
993S32.7Very low33.1Very low103 Ų103134 Ų13472%0.7280%0.8SS**  trans63.7125.1146.152.30000122.5
994Q28.3Very low32.8Very low184 Ų184131.9 Ų131.986%0.8679%0.792SS**  trans-81.9157.3163.8-47136.4-20.800111.2
995V33.2Very low32.9Very low147 Ų147132.4 Ų132.489%0.89179%0.788SS**  trans-144.5150.1144.4-1770000109.2
996V31.6Very low33.1Very low143 Ų143132.9 Ų132.987%0.86779%0.792SS**  trans-104.1146.3179.1176.20000110.1
997G32.2Very low33.2Very low73 Ų73129.8 Ų129.875%0.75379%0.788SS**  trans165.3118.8163.900000117.2
998S29.8Very low33.3Very low104 Ų104130.8 Ų130.873%0.72779%0.788SS**  trans-70.1151.4166.349.30000113.7
999N33.6Very low32.9Very low161 Ų161132.5 Ų132.586%0.86179%0.785SS**  178154.3122.2-87.5-25000114.7
1000H34.6Very low32.9Very low169 Ų169137.1 Ų137.178%0.78279%0.794SS**  trans-85.3155.4167.7-105.1-63.5000111
1001P36.5Very low32.7Very low113 Ų113135.4 Ų135.473%0.73479%0.794SS**  -124.8170.381.25.618.1000112.6
1002L28.9Very low32.7Very low159 Ų159131.8 Ų131.883%0.83280%0.798SS**  cis79.9156.235.4-88.1174.5000116.2
1003V35.2Very low32.6Very low133 Ų133133.1 Ų133.181%0.80681%0.806SS**  trans90.5132.7-176.8-178.90000115.1
1004S32Very low32.5Very low108 Ų108134.1 Ų134.176%0.75581%0.807SS**  cis-168.4178.6-24.7650000111.8
1005A36.7Very low32.8Very low92 Ų92131.1 Ų131.176%0.7680%0.797SS**  trans94.6134.2166.900000117.6
1006S32.9Very low32.7Very low126 Ų126132.4 Ų132.488%0.88179%0.793SS**  cis156.8126.9-32.7-87.50000107.5
1007G35.3Very low32.9Very low76 Ų76129.5 Ų129.578%0.78479%0.785SS**  trans176.575.1-177.100000117
1008N34.7Very low32.6Very low155 Ų155134.3 Ų134.383%0.82979%0.792SS**  trans-14.2121.5169-59.2-4.7000117.3
1009M28.3Very low32.5Very low151 Ų151133.1 Ų133.174%0.74480%0.796SS**  65113.779.3-69.7-156.880.100116.6T1011M1009-T1011 HydrophobicContact CE-CG2 4.1Å
1010Y33.6Very low32.2Very low241 Ų241129.5 Ų129.595%0.94579%0.789SS**  trans-148.1146.3135.2-113-80000109.4
1011T30.8Very low31.9Very low120 Ų120127.5 Ų127.574%0.73679%0.789SS**  trans-118140-170.351.40000112.8M1009M1009-T1011 HydrophobicContact CE-CG2 4.1Å
1012G33.6Very low31.6Very low77 Ų77129.4 Ų129.479%0.79479%0.791SS**  trans-159.197.7172.300000113.4
1013N30Very low31.8Very low160 Ų160126.7 Ų126.786%0.85678%0.783SS**  trans-67.1154.7155.9-62.1-41.1000107.7
1014V30.5Very low31.5Very low125 Ų125130.8 Ų130.876%0.75878%0.784SS**  cis-152161.940.3-114.60000108
1015N34.2Very low31.5Very low120 Ų120133.8 Ų133.864%0.64278%0.779SS**  cis-149.8155.327.8-107.9-53.4000111.7
1016Q32.9Very low31.2Very low174 Ų174140.5 Ų140.581%0.81379%0.785SS**  trans24.2124.7143.3-57.9168.764.700119
1017A33.9Very low31.4Very low83 Ų83139 Ų13969%0.68678%0.78SS**  cis-157.1136.60.300000108.2
1018L26.7Very low31.2Very low174 Ų174141.2 Ų141.291%0.91178%0.781SS**  40.799.385.8-58.4172.3000110.9
1019G26.9Very low31.3Very low78 Ų78142 Ų14280%0.80478%0.783SS**  102.8170.974.800000109.2
1020A27.9Very low31.7Very low86 Ų86137.5 Ų137.571%0.71178%0.775SS**  cis-160.8178.1-10.200000108.3
1021T29.2Very low31.9Very low127 Ų127132.2 Ų132.278%0.77977%0.77SS**  trans48.1118.8152.951.30000120.4
1022L28.8Very low32.3Very low152 Ų152136 Ų13680%0.79678%0.776SS**  11.9138.4123.9-62.3169.2000117.1
1023P33.8Very low33.1Very low102 Ų102137.6 Ų137.666%0.66277%0.773SS**  -124.7128.6102.634.2-32.1000114.1R1025P1023-R1025 PolarHBondContact O-N 3.45Å
1024R29Very low33.3Very low219 Ų219136.4 Ų136.483%0.82677%0.774SS**  trans-53.9122145.6-90.4177.5160-176.5-3107.8
1025R32.8Very low33.7Very low172 Ų172134.2 Ų134.265%0.64978%0.777SS**  trans-127.3109.3154.3-81.8-166.1160.8-150.9-13.9109.9P405 P1023P405-R1025 PolarHBondContact O-NH1 2.83Å; P1023-R1025 PolarHBondContact O-N 3.45Å
1026R30.8Very low33.7Very low233 Ų233133.2 Ų133.288%0.87979%0.786SS**PPolyproline II helixtrans-64.5134.1166.8-70.6172.4165.5170.3-7.9108.5
1027A35.3Very low34Very low93 Ų93129.3 Ų129.377%0.76978%0.783SS**PPolyproline II helixtrans-89.3145.2149.500000108.1
1028P31.1Very low34.5Very low124 Ų124130.7 Ų130.781%0.80579%0.785SS**PPolyproline II helixtrans-89.8135-17033.7-33.7000113
1029I38.5Very low35.2Very low172 Ų172127.5 Ų127.588%0.88278%0.775SS**  trans-123.9134.1148.6-62-178.4000105.7
1030G36.8Very low35.6Very low55 Ų55130.4 Ų130.457%0.56778%0.777SS**  trans-72.5164.9-170.100000114.2
1031P36.8Very low36Very low130 Ų130133.5 Ų133.584%0.84478%0.781SS**  trans-72.2134.1179.130.7-34.1000111.5
1032F39.4Very low36.2Very low199 Ų199134 Ų13487%0.87377%0.774SS**  trans-106.6141.5151.8-90.6-93000108.5
1033P49.6Very low36.4Very low112 Ų112133.2 Ų133.273%0.72778%0.778SS**  trans-78.8149.9-168.431.3-35.9000112.7
1034P35Very low36.4Very low134 Ų134136.2 Ų136.287%0.8778%0.781SS**  trans-78.2122.8166.332-30.9000109.8
1035G38.2Very low36.7Very low80 Ų80131 Ų13183%0.82578%0.776SS**  trans156.278.2170.800000117.3
1036A35.6Very low36.6Very low99 Ų99134.5 Ų134.582%0.81879%0.789SS**  trans-167.5117.3143.600000108.6
1037A39.3Very low36.9Very low91 Ų91129 Ų12975%0.75278%0.783SS**PPolyproline II helixtrans-79.3140.6170.100000109.7
1038P43.4Very low36.7Very low113 Ų113132 Ų13273%0.73479%0.786SS**PPolyproline II helixtrans-62.8136.7157.529.9-32.4000108T1040P1038-T1040 PolarHBondContact O-N 2.83Å
1039P42.2Very low36.9Very low107 Ų107133.5 Ų133.570%0.69579%0.786SS**PPolyproline II helixtrans-69.6127.2-174.727.3-34.1000111.2L1041P1039-L1041 VanDerWaalsContact C-N 3.31Å; P1039-L1041 PolarHBondContact O-N 3.43Å
1040T34.1Very low36.6Very low139 Ų139132.9 Ų132.985%0.85378%0.78SS**  trans-67.587.5167.6-45.10000109.5P1038P1038-T1040 PolarHBondContact O-N 2.83Å
1041L36.6Very low36.4Very low151 Ų151138 Ų13879%0.79179%0.789SS**  trans-90.3123.8171.4-78.8173.7000110.7P1039P1039-L1041 VanDerWaalsContact C-N 3.31Å; P1039-L1041 PolarHBondContact O-N 3.43Å
1042Q34.6Very low36.1Very low137 Ų137139.3 Ų139.364%0.6478%0.783SS**  trans-70.9156.8-177.5-66.2168.5-3100111.4F1044Q1042-F1044 HydrophobicContact CB-CD2 4.36Å; Q1042-F1044 HydrophobicContact CB-CE2 4.01Å; Q1042-F1044 WeakPolarHBondContact O-CD2 3.28Å; Q1042-F1044 PolarHBondContact O-N 2.73Å; Q1042-F1044 VanDerWaalsContact O-N 3.14Å
1043P32.2Very low35.7Very low136 Ų136136.1 Ų136.188%0.88378%0.78SS**  trans-67.8111172.828.5-34.2000110.5
1044F34.5Very low34.8Very low165 Ų165135.1 Ų135.172%0.72478%0.776SS**PPolyproline II helixtrans-99.5142.9171.1-84.3-85.6000111.6Q1042Q1042-F1044 HydrophobicContact CB-CD2 4.36Å; Q1042-F1044 HydrophobicContact CB-CE2 4.01Å; Q1042-F1044 WeakPolarHBondContact O-CD2 3.28Å; Q1042-F1044 PolarHBondContact O-N 2.73Å; Q1042-F1044 VanDerWaalsContact O-N 3.14Å
1045P35.2Very low34.7Very low110 Ų110135.2 Ų135.271%0.71477%0.774SS**PPolyproline II helixtrans-87.2171.4-163.935.6-37.8000114P1047P1045-P1047 WeakPolarHBondContact O-CD 3.3Å
1046R30.4Very low34.4Very low244 Ų244137.2 Ų137.292%0.92178%0.775SS**PPolyproline II helixtrans-58137.7171.4-59178.9179.7-164.3-0.1112.2
1047P36.7Very low34.2Very low118 Ų118139.5 Ų139.577%0.76677%0.774SS**PPolyproline II helixtrans-94.1140.1142.7-6.126000110.2P1045P1045-P1047 WeakPolarHBondContact O-CD 3.3Å
1048N30.6Very low33.8Very low155 Ų155140.5 Ų140.583%0.82977%0.77SS**  trans-80.8-176.4151.9-114.2-11.4000108.6
1049I35.6Very low33.4Very low156 Ų156142.4 Ų142.480%0.877%0.769SS**  trans88100.3-171-53.2159.1000109.9
1050Q32.4Very low33Very low160 Ų160147.5 Ų147.575%0.74877%0.774SS**  cis83.1118.742-166175.5-3.800112.5
1051Q33.3Very low33.4Very low162 Ų162145.3 Ų145.376%0.75776%0.763SS**  trans64.8150.4-175.2-62.4168.8-14.700113.4
1052Q29.8Very low33.3Very low157 Ų157144 Ų14473%0.73476%0.761SS**  cis-163.4150.3-14.9-120.3178-2400107
1053V31.1Very low33.4Very low132 Ų132142.5 Ų142.580%0.877%0.766SS**  trans62.5137.7151.8173.80000117.1
1054S31.1Very low33.6Very low91 Ų91140.6 Ų140.664%0.63676%0.756SS**  cis-164.6149.1-18.4530000110.3
1055V32.5Very low33.5Very low137 Ų137138.8 Ų138.883%0.8376%0.758SS**  trans21.4112140.5-171.20000118
1056S32.1Very low33.5Very low121 Ų121141.2 Ų141.285%0.84676%0.763SS**  -161.8140117.426.10000111.3
1057N30.6Very low33.7Very low148 Ų148138.1 Ų138.179%0.79176%0.759SS**  trans-123-174.1179.4-155.5-18.7000107.4
1058T32Very low33.7Very low112 Ų112137.9 Ų137.969%0.68776%0.76SS**  trans76.3148.3169.8870000115.6
1059H34.6Very low33.9Very low152 Ų152136.9 Ų136.970%0.70476%0.759SS**  cis-167.9140.4-12.2-121.1-26.9000114.3
1060R33.4Very low34Very low214 Ų214135.3 Ų135.381%0.80876%0.757SS**  trans63.5-164.2133.2-119.9176.5180-149.53.6115.3
1061P41.5Very low34.1Very low93 Ų93138.1 Ų138.160%0.60476%0.761SS**  cis-137.7157.5-24.435.2-15.9000118.1
1062T35.3Very low34.2Very low124 Ų124136.5 Ų136.576%0.76177%0.765SS**  trans50.5143.4136.563.60000126.2
1063S35.8Very low34.5Very low106 Ų106135.6 Ų135.674%0.74176%0.764SS**  trans-148.7114.4133.3-178.30000106.9
1064S36.4Very low34.7Very low96 Ų96135 Ų13567%0.67176%0.76SS**  52.2141.171.576.70000113.3
1065V34.2Very low35.3Very low126 Ų126136.7 Ų136.776%0.76477%0.769SS**  cis-146.8158.432.5-137.80000108.8
1066I35.1Very low35.5Very low161 Ų161137.5 Ų137.583%0.82677%0.769SS**  -160.9157.863.6-70.7-179.6000109.8
1067Q34.6Very low35.6Very low179 Ų179135.7 Ų135.784%0.83676%0.761SS**  trans-98.3155-174.7-53.6148.6-62.500114.9
1068S36.3Very low35.8Very low114 Ų114137.1 Ų137.180%0.79777%0.765SS**  trans-162130.113856.90000113.3
1069V34.6Very low35.9Very low133 Ų133137.9 Ų137.981%0.80676%0.764SS**  trans-17.5144.7158.4-113.90000116.2
1070T37.6Very low35.9Very low123 Ų123140.7 Ų140.776%0.75577%0.769SS**  cis-150.2143.338.6470000117.6
1071R33.3Very low35.9Very low219 Ų219136 Ų13683%0.82676%0.764SS**  trans17.1126.5148.2-58.7-178.5-179.6-171.2-0.2121.6
1072P35.6Very low35.5Very low128 Ų128136.2 Ų136.283%0.83177%0.768SS**  trans-96.7162.5137.236.6-30.8000111.7
1073I35.9Very low35.4Very low139 Ų139137.8 Ų137.871%0.71377%0.771SS**  trans-130.7129.8172.6-64.5177.4000109.9
1074T37.3Very low35.4Very low119 Ų119138.3 Ų138.373%0.7377%0.769SS**  trans-121.7144.2162.148.50000109.5
1075P43.4Very low35.1Very low127 Ų127138.4 Ų138.483%0.82577%0.77SS**  trans-89.3129.3158-4.123.7000109.2
1076N35.9Very low35Very low153 Ų153137.8 Ų137.882%0.81877%0.771SS**  trans-101.5163.4178.2-128.8-43.9000111.9
1077A34Very low35Very low84 Ų84135.2 Ų135.269%0.69477%0.768SS**  trans-45.1147.4-17600000118.1
1078M35.5Very low35Very low177 Ų177135.7 Ų135.787%0.87277%0.77SS**  trans-150.9147.6138.3-76.5-146.8176.800108.1
1079L34.5Very low35.3Very low128 Ų128135.6 Ų135.667%0.6777%0.766SS**  cis177.7142-24.2-112.2163.7000103.6
1080R33.6Very low35.8Very low212 Ų212135.3 Ų135.380%0.877%0.767SS**  trans74116.4152.4-71.2-178.5173-139.6-4.5122.1
1081T34.5Very low35.7Very low116 Ų116137.4 Ų137.471%0.71277%0.768SS**  74108125.261.70000121.3
1082S33.2Very low35.8Very low96 Ų96133 Ų13367%0.67177%0.766SS**  91.8125.6109.574.10000121.3
1083L33.1Very low35.7Very low157 Ų157137.7 Ų137.782%0.82277%0.767SS**  trans88.1131.6136.9-74.5164.2000120.9
1084V34.1Very low35.7Very low118 Ų118135.5 Ų135.572%0.71576%0.764SS**  trans75.490.6146.2-179.50000118.6
1085S31.3Very low35.7Very low98 Ų98134.7 Ų134.769%0.68576%0.763SS**  54.9121.3116-46.90000122.5
1086S31.7Very low35.4Very low112 Ų112132.8 Ų132.878%0.78375%0.753SS**  82.8161.5125.474.30000121.7
1087S35.3Very low35.4Very low108 Ų108132.5 Ų132.576%0.75575%0.752SS**  trans73.594.2171.657.30000120
1088Q34.4Very low35.5Very low188 Ų188134.2 Ų134.288%0.87975%0.754SS**  trans45.4141.6132.2-70.5179.6-2800123
1089P43.4Very low35.5Very low112 Ų112131.9 Ų131.973%0.72775%0.749SS**  trans-94.2165.2174.339.5-36.1000113.7
1090P43.8Very low35.7Very low127 Ų127130 Ų13083%0.82575%0.752SS**  trans-113.5161.6153.235.3-25.7000113.2
1091H35Very low35.7Very low167 Ų167125.2 Ų125.277%0.77375%0.747SS**  trans-95.8179.8-177-70.1-109000113.4
1092T37.1Very low35.8Very low128 Ų128127.3 Ų127.379%0.78575%0.753SS**  trans83150.7158.882.30000116
1093R33.8Very low36Very low225 Ų225127.4 Ų127.485%0.84975%0.753SS**  cis-153.8178.50.5-137.1167.6-178174.9-1.4111.7
1094S34Very low36.1Very low93 Ų93128.9 Ų128.965%0.6576%0.756SS**  trans-22.5162.5160.258.20000118.1
1095S37.2Very low36.4Very low102 Ų102127.6 Ų127.671%0.71375%0.75SS**  cis-175.6172.430.1-3.90000109
1096S38.2Very low36.5Very low88 Ų88132.9 Ų132.962%0.61576%0.756SS**  cis177.1155.1-22.751.90000110.2
1097N35.3Very low36.7Very low147 Ų147134 Ų13479%0.78676%0.758SS**  trans70.1167.4169.2-47.8-20.7000115.1
1098T36.8Very low36.5Very low120 Ų120133.6 Ų133.674%0.73676%0.755SS**  cis-154.6118.415.1-25.70000107.4
1099T35.9Very low36.6Very low128 Ų128131.5 Ų131.579%0.78576%0.755SS**  78141.690.2-46.10000116.6
1100A37Very low36.2Very low87 Ų87131.5 Ų131.572%0.71976%0.758SS**  trans103.1130.2168.500000115.8
1101T35.5Very low35.9Very low113 Ų113134.4 Ų134.469%0.69376%0.761SS**  cis132151.4-8.150.20000110.6
1102L36Very low35.9Very low160 Ų160134.5 Ų134.584%0.83876%0.762SS**  trans78.5146.2172-56.7131.7000116.3
1103S37.3Very low35.8Very low97 Ų97135.1 Ų135.168%0.67877%0.765SS**  cis-170.1124.6-19.950.20000114.5
1104Q35.4Very low36.1Very low189 Ų189127.7 Ų127.788%0.88376%0.758SS**  trans64.8-177.6134.8-119.5-163.719.900118.6
1105P40.9Very low36.1Very low91 Ų91135.1 Ų135.159%0.59179%0.79SS**  -136.3-164.8-104.146.7-29000117.1
1106Y31.4Very low36Very low209 Ų209136.8 Ų136.882%0.8279%0.793SS**  trans72.9125.8158-100.9-100.1000119
1107V36.1Very low35.9Very low134 Ų134139.4 Ų139.481%0.81280%0.803SS**  -175146.6102.8151.60000109
1108S31.3Very low36Very low100 Ų100138.9 Ų138.970%0.69980%0.804SS**  trans-96.8145.8-179.3-43.90000112.8
1109T37.6Very low35.9Very low144 Ų144140.1 Ų140.188%0.88381%0.808SS**  trans-153.6137.3146.86.10000111.2
1110S35.5Very low35.9Very low113 Ų113140.8 Ų140.879%0.7981%0.809SS**  trans-98.2144.3171.8-45.60000109.9
1111Q36.5Very low35.8Very low187 Ų187144.4 Ų144.487%0.87482%0.815SS**  -168.7164.5126.4-111.7173.5-2300113.1
1112E35.8Very low35.9Very low170 Ų170146.6 Ų146.679%0.79482%0.824SS**  trans-79.2160.6-178-57.2142.8105.600112.3
1113V35Very low35.9Very low140 Ų140145.6 Ų145.685%0.84882%0.823SS**  167.1125.1104.4161.50000110.2
1114G39.1Very low35.7Very low69 Ų69149.7 Ų149.771%0.71184%0.835SS**  trans66.4100.4140.700000120.2
1115L34.2Very low35.8Very low250 Ų250146.1 Ų146.1100%1.30983%0.83SS**  -1540100.1-104.9167.7000111.1

Retrieved 1,115 of 1,115 residues in 262.6 ms (Link to these results)

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